| 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 | 27.8 | Very low | 46.1 | Very low | 31 Ų | 31 | 87.9 Ų | 87.9 | 15% | 0.153 | 45% | 0.445 | C | S | . | . | 0 | -50.8 | 0 | -88.9 | -79.3 | -73.9 | 0 | 0 | 114.1 | E3 T4 Y5 W8 S436 R439 | M1-E3 VanDerWaalsContact C-N 3.26Å; M1-T4 WeakPolarHBondContact CA-OG1 3.36Å; M1-T4 WeakPolarHBondContact CG-OG1 3.27Å; M1-T4 VanDerWaalsContact N-N 3.19Å; M1-T4 PolarHBondContact N-OG1 3.39Å; M1-T4 PolarHBondContact SD-OG1 3.44Å; M1-Y5 VanDerWaalsContact O-CA 3.28Å; M1-Y5 WeakPolarHBondContact O-CA 3.17Å; M1-Y5 WeakPolarHBondContact O-CB 2.96Å; M1-Y5 PolarHBondContact O-N 3.22Å; M1-W8 HydrophobicContact CE-CH2 4.18Å; M1-W8 HydrophobicContact CE-CZ2 4.31Å; M1-W8 HydrophobicContact SD-CH2 4.12Å; M1-W8 HydrophobicContact SD-CZ2 3.67Å; M1-S436 WeakPolarHBondContact CE-O 3.33Å; M1-S436 WeakPolarHBondContact CG-OG 3.36Å; M1-R439 HydrophobicContact CB-CB 4.21Å; M1-R439 VanDerWaalsContact CB-CD 3.49Å | |||
| 2 | L | 28.6 | Very low | 48.8 | Very low | 117 Ų | 117 | 89.2 Ų | 89.2 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.1 | -37.8 | 157.5 | -106.4 | 143.7 | 0 | 0 | 0 | 109.9 | K6 | L2-K6 WeakPolarHBondContact O-CB 3.48Å; L2-K6 WeakPolarHBondContact O-CG 3.42Å; L2-K6 PolarHBondContact O-N 2.86Å |
| 3 | E | 33.2 | Very low | 51 | Low | 150 Ų | 150 | 83.4 Ų | 83.4 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.6 | -60.2 | 165.6 | -74.8 | 172.6 | 159.6 | 0 | 0 | 111.8 | M1 Y5 K6 D7 | M1-E3 VanDerWaalsContact C-N 3.26Å; E3-Y5 PolarHBondContact O-N 3.43Å; E3-Y5 VanDerWaalsContact O-N 3.09Å; E3-K6 CarbonylContact O-C 3.58Å; E3-K6 VanDerWaalsContact O-CA 3.28Å; E3-K6 WeakPolarHBondContact O-CA 3.33Å; E3-K6 WeakPolarHBondContact O-CB 3.14Å; E3-K6 PolarHBondContact O-N 3.02Å; E3-D7 VanDerWaalsContact O-CG 3.22Å; E3-D7 PolarHBondContact O-N 2.9Å |
| 4 | T | 33.9 | Very low | 52.4 | Low | 61 Ų | 61 | 86.1 Ų | 86.1 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.6 | -25.9 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 116.5 | M1 D7 W8 | M1-T4 WeakPolarHBondContact CA-OG1 3.36Å; M1-T4 WeakPolarHBondContact CG-OG1 3.27Å; M1-T4 VanDerWaalsContact N-N 3.19Å; M1-T4 PolarHBondContact N-OG1 3.39Å; M1-T4 PolarHBondContact SD-OG1 3.44Å; T4-D7 WeakPolarHBondContact CA-OD2 3.22Å; T4-D7 CarbonylContact O-C 3.24Å; T4-D7 PolarHBondContact O-N 2.97Å; T4-W8 VanDerWaalsContact O-CG 3.25Å; T4-W8 PolarHBondContact O-N 3.3Å; T4-W8 PolarHBondContact O-NE1 3.31Å |
| 5 | Y | 34.3 | Very low | 53.4 | Low | 58 Ų | 58 | 81.4 Ų | 81.4 | 23% | 0.227 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72.8 | -37.7 | 170.1 | -179.3 | -90.4 | 0 | 0 | 0 | 111 | M1 E3 D7 W8 K222 N225 | M1-Y5 VanDerWaalsContact O-CA 3.28Å; M1-Y5 WeakPolarHBondContact O-CA 3.17Å; M1-Y5 WeakPolarHBondContact O-CB 2.96Å; M1-Y5 PolarHBondContact O-N 3.22Å; E3-Y5 PolarHBondContact O-N 3.43Å; E3-Y5 VanDerWaalsContact O-N 3.09Å; Y5-D7 PolarHBondContact O-N 3.08Å; Y5-W8 HydrophobicContact CD2-CD2 4.41Å; Y5-W8 AromaticContact CD2-CE3 3.53Å; Y5-W8 HydrophobicContact CD2-CE3 3.53Å; Y5-W8 AromaticContact CD2-CZ3 3.61Å; Y5-W8 HydrophobicContact CD2-CZ3 3.61Å; Y5-W8 HydrophobicContact CE2-CE3 4.12Å; Y5-W8 HydrophobicContact CE2-CZ3 4.16Å; Y5-W8 HydrophobicContact CG-CE3 4.36Å; Y5-W8 PolarHBondContact O-N 3.21Å; Y5-K222 HydrophobicContact CE1-CG 4.3Å; Y5-K222 HydrophobicContact CE2-CB 4.2Å; Y5-K222 HydrophobicContact CE2-CG 4.34Å; Y5-K222 WeakPolarHBondContact O-CD 3.45Å; Y5-K222 WeakPolarHBondContact O-CE 3.45Å; Y5-K222 PolarHBondContact O-NZ 2.89Å; Y5-N225 WeakPolarHBondContact OH-CB 3.24Å; Y5-N225 PolarHBondContact OH-ND2 2.78Å |
| 6 | K | 47.6 | Very low | 54 | Low | 154 Ų | 154 | 81.4 Ų | 81.4 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.1 | -36.8 | 165.8 | -76 | 174.4 | 177.7 | -172.8 | 0 | 110.8 | L2 E3 K222 | L2-K6 WeakPolarHBondContact O-CB 3.48Å; L2-K6 WeakPolarHBondContact O-CG 3.42Å; L2-K6 PolarHBondContact O-N 2.86Å; E3-K6 CarbonylContact O-C 3.58Å; E3-K6 VanDerWaalsContact O-CA 3.28Å; E3-K6 WeakPolarHBondContact O-CA 3.33Å; E3-K6 WeakPolarHBondContact O-CB 3.14Å; E3-K6 PolarHBondContact O-N 3.02Å; K6-K222 PolarHBondContact O-NZ 2.86Å |
| 7 | D | 47 | Very low | 54.7 | Low | 119 Ų | 119 | 77.8 Ų | 77.8 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -79.2 | -17.8 | 179.7 | -53.3 | -34 | 0 | 0 | 0 | 114.3 | E3 T4 Y5 A9 | E3-D7 VanDerWaalsContact O-CG 3.22Å; E3-D7 PolarHBondContact O-N 2.9Å; T4-D7 WeakPolarHBondContact CA-OD2 3.22Å; T4-D7 CarbonylContact O-C 3.24Å; T4-D7 PolarHBondContact O-N 2.97Å; Y5-D7 PolarHBondContact O-N 3.08Å; D7-A9 PolarHBondContact O-N 3.28Å |
| 8 | W | 49.7 | Very low | 55.4 | Low | 62 Ų | 62 | 82.8 Ų | 82.8 | 24% | 0.235 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -63 | 123.2 | 175.9 | -69.9 | -8.6 | 0 | 0 | 0 | 109.4 | M1 T4 Y5 E10 P218 K222 | M1-W8 HydrophobicContact CE-CH2 4.18Å; M1-W8 HydrophobicContact CE-CZ2 4.31Å; M1-W8 HydrophobicContact SD-CH2 4.12Å; M1-W8 HydrophobicContact SD-CZ2 3.67Å; T4-W8 VanDerWaalsContact O-CG 3.25Å; T4-W8 PolarHBondContact O-N 3.3Å; T4-W8 PolarHBondContact O-NE1 3.31Å; Y5-W8 HydrophobicContact CD2-CD2 4.41Å; Y5-W8 AromaticContact CD2-CE3 3.53Å; Y5-W8 HydrophobicContact CD2-CE3 3.53Å; Y5-W8 AromaticContact CD2-CZ3 3.61Å; Y5-W8 HydrophobicContact CD2-CZ3 3.61Å; Y5-W8 HydrophobicContact CE2-CE3 4.12Å; Y5-W8 HydrophobicContact CE2-CZ3 4.16Å; Y5-W8 HydrophobicContact CG-CE3 4.36Å; Y5-W8 PolarHBondContact O-N 3.21Å; W8-E10 PolarHBondContact O-N 2.85Å; W8-P218 HydrophobicContact CD2-CB 3.48Å; W8-P218 VanDerWaalsContact CD2-CB 3.48Å; W8-P218 HydrophobicContact CE3-CB 3.49Å; W8-P218 VanDerWaalsContact CE3-CB 3.49Å; W8-P218 HydrophobicContact CG-CB 4.19Å; W8-P218 HydrophobicContact CH2-CB 3.64Å; W8-P218 HydrophobicContact CH2-CG 4.13Å; W8-P218 HydrophobicContact CZ2-CB 3.62Å; W8-P218 HydrophobicContact CZ2-CG 3.98Å; W8-P218 HydrophobicContact CZ3-CB 3.56Å; W8-P218 HydrophobicContact CZ3-CG 4.49Å; W8-K222 HydrophobicContact CB-CD 3.92Å; W8-K222 WeakPolarHBondContact O-CD 3.48Å; W8-K222 WeakPolarHBondContact O-CE 3.4Å; W8-K222 PolarHBondContact O-NZ 3.36Å |
| 9 | A | 60.5 | Low | 56.9 | Low | 73 Ų | 73 | 78.8 Ų | 78.8 | 60% | 0.603 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 135.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D7 A219 | D7-A9 PolarHBondContact O-N 3.28Å; A9-A219 VanDerWaalsContact O-CB 3.24Å; A9-A219 WeakPolarHBondContact O-CB 3.35Å |
| 10 | E | 69.7 | Low | 58.3 | Low | 105 Ų | 105 | 78.3 Ų | 78.3 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 147.4 | 164.8 | -70.7 | 177.1 | -154 | 0 | 0 | 109 | W8 K222 S226 | W8-E10 PolarHBondContact O-N 2.85Å; E10-K222 HydrophobicContact CG-CD 3.95Å; E10-K222 HydrophobicContact CG-CG 3.99Å; E10-S226 VanDerWaalsContact CD-CB 3.47Å; E10-S226 WeakPolarHBondContact OE1-CB 3.41Å; E10-S226 PolarHBondContact OE1-OG 3.2Å; E10-S226 WeakPolarHBondContact OE2-CB 3.22Å; E10-S226 PolarHBondContact OE2-OG 3.34Å |
| 11 | L | 75.1 | Confident | 59.6 | Low | 37 Ų | 37 | 75.6 Ų | 75.6 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 133.1 | 177.2 | -66.2 | 165.4 | 0 | 0 | 0 | 108.6 | L13 L175 A219 Y220 T223 | L11-L13 HydrophobicContact CB-CD2 4.15Å; L11-L13 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact O-N 3.13Å; L11-L175 HydrophobicContact CD1-CD1 4.34Å; L11-A219 HydrophobicContact CD2-CB 4.16Å; L11-A219 HydrophobicContact CG-CB 4.16Å; L11-Y220 HydrophobicContact CD1-CD1 3.37Å; L11-Y220 HydrophobicContact CD1-CD2 3.99Å; L11-Y220 HydrophobicContact CD1-CE1 3.54Å; L11-Y220 HydrophobicContact CD1-CE2 4.12Å; L11-Y220 HydrophobicContact CD1-CG 3.61Å; L11-Y220 HydrophobicContact CD2-CE2 4.45Å; L11-T223 HydrophobicContact CB-CG2 4.23Å; L11-T223 PolarHBondContact N-OG1 3.14Å |
| 12 | D | 78.2 | Confident | 62.3 | Low | 103 Ų | 103 | 78.3 Ų | 78.3 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | trans | -69.2 | 109.8 | 167.5 | -174.3 | -1.1 | 0 | 0 | 0 | 108.9 | N14 K172 | D12-N14 WeakPolarHBondContact OD1-CB 3.3Å; D12-N14 VanDerWaalsContact OD1-CG 3.3Å; D12-N14 PolarHBondContact OD1-N 2.96Å; D12-N14 VanDerWaalsContact OD1-N 3.08Å; D12-N14 PolarHBondContact OD1-ND2 3.25Å; D12-K172 WeakPolarHBondContact O-CE 3.42Å; D12-K172 PolarHBondContact O-NZ 3.13Å | ||
| 13 | L | 77 | Confident | 65.1 | Low | 14 Ų | 14 | 81.4 Ų | 81.4 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | trans | -93.6 | 13.1 | -177.4 | -62.5 | -177.5 | 0 | 0 | 0 | 113 | L11 L15 K172 L175 Q179 T223 | L11-L13 HydrophobicContact CB-CD2 4.15Å; L11-L13 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact O-N 3.13Å; L13-L15 PolarHBondContact O-N 3.2Å; L13-L15 VanDerWaalsContact O-N 3.1Å; L13-K172 HydrophobicContact CD2-CG 4.04Å; L13-L175 HydrophobicContact CD1-CB 4.1Å; L13-L175 HydrophobicContact CD2-CB 3.87Å; L13-Q179 HydrophobicContact CD1-CB 4.39Å; L13-Q179 VanDerWaalsContact CD1-OE1 3.23Å; L13-T223 HydrophobicContact CD1-CG2 3.56Å; L13-T223 HydrophobicContact CD2-CG2 4.21Å; L13-T223 HydrophobicContact CG-CG2 3.95Å | ||
| 14 | N | 71 | Confident | 67.7 | Low | 121 Ų | 121 | 79.8 Ų | 79.8 | 65% | 0.647 | 41% | 0.408 | S | S | * | . | trans | -62.3 | 113.5 | 177.5 | -79.4 | -44 | 0 | 0 | 0 | 112 | D12 S16 | D12-N14 WeakPolarHBondContact OD1-CB 3.3Å; D12-N14 VanDerWaalsContact OD1-CG 3.3Å; D12-N14 PolarHBondContact OD1-N 2.96Å; D12-N14 VanDerWaalsContact OD1-N 3.08Å; D12-N14 PolarHBondContact OD1-ND2 3.25Å; N14-S16 PolarHBondContact O-N 2.83Å | ||
| 15 | L | 67.3 | Low | 70.2 | Confident | 16 Ų | 16 | 80.1 Ų | 80.1 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | trans | -97.7 | 38.9 | -179.3 | -71.8 | 170.7 | 0 | 0 | 0 | 112.8 | L13 S122 F173 | L13-L15 PolarHBondContact O-N 3.2Å; L13-L15 VanDerWaalsContact O-N 3.1Å; L15-S122 PolarHBondContact O-OG 3.38Å; L15-F173 HydrophobicContact CD2-CD2 3.88Å; L15-F173 HydrophobicContact CD2-CE2 4.45Å | ||
| 16 | S | 63 | Low | 72.5 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | trans | -99.3 | 131.5 | -179.1 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | N14 | N14-S16 PolarHBondContact O-N 2.83Š| ||
| 17 | S | 65.6 | Low | 74.2 | Confident | 21 Ų | 21 | 79 Ų | 79 | 15% | 0.147 | 43% | 0.427 | C | S | . | . | trans | -119.2 | 141.7 | 167.4 | 65 | 0 | 0 | 0 | 0 | 109.9 | S65 | S17-S65 WeakPolarHBondContact CB-OG 3.35Å; S17-S65 PolarHBondContact OG-OG 3.49Å | ||
| 18 | H | 68.8 | Low | 76.2 | Confident | 167 Ų | 167 | 76.8 Ų | 76.8 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | trans | -114.8 | 119.5 | 178.9 | -70 | -54.7 | 0 | 0 | 0 | 110.4 | ||||
| 19 | S | 83.2 | Confident | 78.1 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 5% | 0.049 | 41% | 0.407 | C | S | . | . | trans | -88.1 | 143.3 | 172 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | L21 H22 E62 | S19-L21 PolarHBondContact O-N 3.21Å; S19-L21 PolarHBondContact OG-N 3.37Å; S19-L21 VanDerWaalsContact OG-N 3.17Å; S19-H22 PolarHBondContact O-N 3.38Å; S19-H22 VanDerWaalsContact O-N 3.15Å; S19-E62 WeakPolarHBondContact CB-O 3.19Å; S19-E62 PolarHBondContact OG-O 3.22Å | ||
| 20 | V | 84 | Confident | 79.5 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -59 | -26.1 | 170.7 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | H22 K23 F24 E62 | V20-H22 PolarHBondContact O-N 3.15Å; V20-K23 WeakPolarHBondContact O-CB 3.39Å; V20-K23 PolarHBondContact O-N 3.02Å; V20-F24 HydrophobicContact CG1-CE2 4.27Å; V20-E62 WeakPolarHBondContact CG2-OE2 3.2Å |
| 21 | L | 86.5 | Confident | 80.6 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -61.8 | -22.9 | 177.9 | -71.6 | -178.8 | 0 | 0 | 0 | 113.7 | S19 K23 F24 V32 V63 Y66 | S19-L21 PolarHBondContact O-N 3.21Å; S19-L21 PolarHBondContact OG-N 3.37Å; S19-L21 VanDerWaalsContact OG-N 3.17Å; L21-K23 PolarHBondContact O-N 3.37Å; L21-F24 HydrophobicContact CD2-CD2 4.33Å; L21-F24 PolarHBondContact O-N 3.42Å; L21-F24 VanDerWaalsContact O-N 3.14Å; L21-V32 HydrophobicContact CD1-CG1 4.34Å; L21-V32 HydrophobicContact CD2-CG1 4.25Å; L21-V63 HydrophobicContact CD1-CB 4.36Å; L21-V63 HydrophobicContact CD1-CG1 4.16Å; L21-V63 HydrophobicContact CD1-CG2 4.12Å; L21-Y66 HydrophobicContact CB-CD1 4.18Å; L21-Y66 HydrophobicContact CB-CD2 3.46Å; L21-Y66 VanDerWaalsContact CB-CD2 3.46Å; L21-Y66 HydrophobicContact CB-CE2 3.95Å; L21-Y66 HydrophobicContact CB-CG 3.58Å; L21-Y66 HydrophobicContact CD1-CD1 4.04Å; L21-Y66 HydrophobicContact CD1-CG 3.97Å; L21-Y66 HydrophobicContact CG-CG 4.44Å |
| 22 | H | 84.6 | Confident | 81.4 | Confident | 88 Ų | 88 | 73 Ų | 73 | 41% | 0.407 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -66.1 | -15.4 | 172.6 | -73.7 | -70.2 | 0 | 0 | 0 | 113.8 | S19 V20 F24 Y66 | S19-H22 PolarHBondContact O-N 3.38Å; S19-H22 VanDerWaalsContact O-N 3.15Å; V20-H22 PolarHBondContact O-N 3.15Å; H22-F24 VanDerWaalsContact C-N 3.28Å; H22-Y66 AromaticContact CD2-CD2 3.76Å; H22-Y66 AromaticContact CE1-CD2 3.62Å; H22-Y66 AromaticContact CE1-CE2 3.75Å; H22-Y66 AromaticContact CG-CD2 3.82Å; H22-Y66 AromaticContact CG-CE2 3.95Å; H22-Y66 AromaticContact ND1-CD2 3.75Å; H22-Y66 AromaticContact ND1-CE2 3.57Å; H22-Y66 AromaticContact NE2-CD2 3.63Å |
| 23 | K | 86.4 | Confident | 82.1 | Confident | 183 Ų | 183 | 68.1 Ų | 68.1 | 80% | 0.796 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -80.2 | -9 | 174.8 | -63.2 | -172.9 | 176.6 | -179.4 | 0 | 113.3 | V20 L21 | V20-K23 WeakPolarHBondContact O-CB 3.39Å; V20-K23 PolarHBondContact O-N 3.02Å; L21-K23 PolarHBondContact O-N 3.37Å |
| 24 | F | 88.5 | Confident | 82.8 | Confident | 116 Ų | 116 | 70.4 Ų | 70.4 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -101.6 | 168.6 | 177.1 | -60.7 | -88.8 | 0 | 0 | 0 | 110.8 | V20 L21 H22 | V20-F24 HydrophobicContact CG1-CE2 4.27Å; L21-F24 HydrophobicContact CD2-CD2 4.33Å; L21-F24 PolarHBondContact O-N 3.42Å; L21-F24 VanDerWaalsContact O-N 3.14Å; H22-F24 VanDerWaalsContact C-N 3.28Å |
| 25 | S | 86.6 | Confident | 83.8 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 47% | 0.469 | 38% | 0.38 | S | S | . | . | trans | -60.2 | 143.9 | 174.4 | 84.4 | 0 | 0 | 0 | 0 | 110.7 | A27 T28 G29 | S25-A27 PolarHBondContact O-N 2.89Å; S25-A27 VanDerWaalsContact O-N 3.13Å; S25-T28 PolarHBondContact O-N 3.2Å; S25-T28 PolarHBondContact OG-N 3.17Å; S25-T28 PolarHBondContact OG-OG1 3.11Å; S25-G29 PolarHBondContact O-N 3.29Å | ||
| 26 | N | 82.3 | Confident | 85.1 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 65% | 0.647 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54.6 | -34.4 | 179 | -74.7 | -14.8 | 0 | 0 | 0 | 112.6 | L30 | N26-L30 WeakPolarHBondContact O-CB 3.42Å; N26-L30 PolarHBondContact O-N 2.99Å |
| 27 | A | 84.6 | Confident | 86.6 | Confident | 69 Ų | 69 | 64 Ų | 64 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.2 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S25 V31 | S25-A27 PolarHBondContact O-N 2.89Å; S25-A27 VanDerWaalsContact O-N 3.13Å; A27-V31 VanDerWaalsContact O-CG2 3.27Å; A27-V31 WeakPolarHBondContact O-CG2 3.39Å; A27-V31 PolarHBondContact O-N 3.4Å |
| 28 | T | 89 | Confident | 87.9 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 44% | 0.436 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.7 | -48.1 | 178.3 | -48.5 | 0 | 0 | 0 | 0 | 111.5 | S25 L30 V31 V32 | S25-T28 PolarHBondContact O-N 3.2Å; S25-T28 PolarHBondContact OG-N 3.17Å; S25-T28 PolarHBondContact OG-OG1 3.11Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 2.88Å; T28-V31 PolarHBondContact O-N 3.33Å; T28-V32 WeakPolarHBondContact O-CG2 3.29Å; T28-V32 PolarHBondContact O-N 3.15Å; T28-V32 VanDerWaalsContact O-N 3.09Å |
| 29 | G | 89.1 | Confident | 89 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S25 V32 A33 Y66 | S25-G29 PolarHBondContact O-N 3.29Å; G29-V32 PolarHBondContact O-N 3.29Å; G29-A33 VanDerWaalsContact O-CB 3.29Å; G29-A33 WeakPolarHBondContact O-CB 3.17Å; G29-A33 PolarHBondContact O-N 2.69Å; G29-Y66 WeakPolarHBondContact O-CE1 3.39Å |
| 30 | L | 90.4 | Very high | 89.5 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 178.4 | -177.2 | 63 | 0 | 0 | 0 | 113.1 | N26 T28 A33 N34 L70 N75 | N26-L30 WeakPolarHBondContact O-CB 3.42Å; N26-L30 PolarHBondContact O-N 2.99Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 2.88Å; L30-A33 PolarHBondContact O-N 2.81Å; L30-N34 WeakPolarHBondContact O-CB 3.49Å; L30-N34 PolarHBondContact O-N 3.48Å; L30-N34 PolarHBondContact O-ND2 3.27Å; L30-N34 VanDerWaalsContact O-ND2 3.09Å; L30-L70 HydrophobicContact CD1-CD1 3.58Å; L30-L70 HydrophobicContact CD1-CD2 4.46Å; L30-N75 WeakPolarHBondContact CD1-OD1 3.4Å |
| 31 | V | 91 | Very high | 89.8 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 62% | 0.624 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 178 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | A27 T28 A35 | A27-V31 VanDerWaalsContact O-CG2 3.27Å; A27-V31 WeakPolarHBondContact O-CG2 3.39Å; A27-V31 PolarHBondContact O-N 3.4Å; T28-V31 PolarHBondContact O-N 3.33Å; V31-A35 PolarHBondContact O-N 3.21Å |
| 32 | V | 91.7 | Very high | 90 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | L21 T28 G29 N34 A35 V36 | L21-V32 HydrophobicContact CD1-CG1 4.34Å; L21-V32 HydrophobicContact CD2-CG1 4.25Å; T28-V32 WeakPolarHBondContact O-CG2 3.29Å; T28-V32 PolarHBondContact O-N 3.15Å; T28-V32 VanDerWaalsContact O-N 3.09Å; G29-V32 PolarHBondContact O-N 3.29Å; V32-N34 PolarHBondContact O-N 2.76Å; V32-A35 PolarHBondContact O-N 3.38Å; V32-V36 HydrophobicContact CG1-CG2 4.43Å; V32-V36 WeakPolarHBondContact O-CG2 3.37Å; V32-V36 PolarHBondContact O-N 2.98Å; V32-V36 VanDerWaalsContact O-N 3.13Å |
| 33 | A | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | G29 L30 A35 V36 V37 V63 Y66 A67 I78 | G29-A33 VanDerWaalsContact O-CB 3.29Å; G29-A33 WeakPolarHBondContact O-CB 3.17Å; G29-A33 PolarHBondContact O-N 2.69Å; L30-A33 PolarHBondContact O-N 2.81Å; A33-A35 PolarHBondContact O-N 2.97Å; A33-V36 PolarHBondContact O-N 3.25Å; A33-V37 VanDerWaalsContact O-CB 3.29Å; A33-V37 WeakPolarHBondContact O-CB 3.49Å; A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.47Å; A33-V63 HydrophobicContact CB-CG1 4.07Å; A33-Y66 HydrophobicContact CB-CD1 3.87Å; A33-Y66 HydrophobicContact CB-CE1 4.35Å; A33-A67 HydrophobicContact CB-CB 4.42Å; A33-I78 HydrophobicContact CB-CD1 3.59Å |
| 34 | N | 91.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | 177.5 | -86 | -48.4 | 0 | 0 | 0 | 112.1 | L30 V32 V36 V37 E38 I78 | L30-N34 WeakPolarHBondContact O-CB 3.49Å; L30-N34 PolarHBondContact O-N 3.48Å; L30-N34 PolarHBondContact O-ND2 3.27Å; L30-N34 VanDerWaalsContact O-ND2 3.09Å; V32-N34 PolarHBondContact O-N 2.76Å; N34-V36 VanDerWaalsContact C-N 3.34Å; N34-V36 PolarHBondContact O-N 3.42Å; N34-V37 PolarHBondContact O-N 3.21Å; N34-E38 VanDerWaalsContact O-CB 3.3Å; N34-E38 WeakPolarHBondContact O-CB 3.11Å; N34-E38 PolarHBondContact O-N 2.75Å; N34-I78 HydrophobicContact CB-CD1 4.42Å; N34-I78 WeakPolarHBondContact OD1-CB 2.93Å; N34-I78 WeakPolarHBondContact OD1-CD1 2.76Å |
| 35 | A | 92.8 | Very high | 90.2 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 50% | 0.504 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V31 V32 A33 E39 | V31-A35 PolarHBondContact O-N 3.21Å; V32-A35 PolarHBondContact O-N 3.38Å; A33-A35 PolarHBondContact O-N 2.97Å; A35-E39 WeakPolarHBondContact O-CB 3.44Å; A35-E39 PolarHBondContact O-N 3.17Å |
| 36 | V | 93.9 | Very high | 90.2 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -73.1 | -44.5 | -179.9 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | V32 A33 N34 E38 E39 L40 W59 V63 | V32-V36 HydrophobicContact CG1-CG2 4.43Å; V32-V36 WeakPolarHBondContact O-CG2 3.37Å; V32-V36 PolarHBondContact O-N 2.98Å; V32-V36 VanDerWaalsContact O-N 3.13Å; A33-V36 PolarHBondContact O-N 3.25Å; N34-V36 VanDerWaalsContact C-N 3.34Å; N34-V36 PolarHBondContact O-N 3.42Å; V36-E38 PolarHBondContact O-N 3.43Å; V36-E39 PolarHBondContact O-N 3.19Å; V36-L40 HydrophobicContact CG1-CD1 3.96Å; V36-L40 HydrophobicContact CG1-CG 4.31Å; V36-L40 VanDerWaalsContact O-CG 3.3Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.18Å; V36-W59 HydrophobicContact CG1-CZ3 4.14Å; V36-W59 HydrophobicContact CG2-CH2 3.62Å; V36-W59 HydrophobicContact CG2-CZ3 3.78Å; V36-V63 HydrophobicContact CB-CG1 3.9Å; V36-V63 HydrophobicContact CG1-CB 4.3Å; V36-V63 HydrophobicContact CG1-CG1 4.02Å; V36-V63 HydrophobicContact CG1-CG2 4.47Å; V36-V63 HydrophobicContact CG2-CG1 4.34Å |
| 37 | V | 94.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | -179.5 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | A33 N34 E39 L40 V41 L64 A67 I78 N81 I85 | A33-V37 VanDerWaalsContact O-CB 3.29Å; A33-V37 WeakPolarHBondContact O-CB 3.49Å; A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.47Å; N34-V37 PolarHBondContact O-N 3.21Å; V37-E39 VanDerWaalsContact C-N 3.35Å; V37-E39 PolarHBondContact O-N 2.66Å; V37-L40 PolarHBondContact O-N 3.09Å; V37-V41 WeakPolarHBondContact O-CG2 3.45Å; V37-V41 PolarHBondContact O-N 3.09Å; V37-L64 HydrophobicContact CG2-CD2 4.08Å; V37-A67 HydrophobicContact CG2-CB 4.2Å; V37-I78 HydrophobicContact CB-CG1 4.07Å; V37-I78 HydrophobicContact CG1-CG1 4.07Å; V37-I78 HydrophobicContact CG2-CD1 4.34Å; V37-I78 HydrophobicContact CG2-CG1 4.04Å; V37-N81 HydrophobicContact CG1-CB 3.57Å; V37-I85 HydrophobicContact CG1-CD1 4.01Å |
| 38 | E | 93.1 | Very high | 90.2 | Very high | 142 Ų | 142 | 54.9 Ų | 54.9 | 66% | 0.664 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 177.2 | -170.3 | 174.7 | -173.8 | 0 | 0 | 111.8 | N34 V36 V41 H42 | N34-E38 VanDerWaalsContact O-CB 3.3Å; N34-E38 WeakPolarHBondContact O-CB 3.11Å; N34-E38 PolarHBondContact O-N 2.75Å; V36-E38 PolarHBondContact O-N 3.43Å; E38-V41 PolarHBondContact O-N 3.29Å; E38-H42 PolarHBondContact O-N 3.4Å |
| 39 | E | 92.6 | Very high | 89.9 | Confident | 97 Ų | 97 | 54 Ų | 54 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 176.1 | -179.4 | 56 | -147.7 | 0 | 0 | 112.2 | A35 V36 V37 H42 Q43 | A35-E39 WeakPolarHBondContact O-CB 3.44Å; A35-E39 PolarHBondContact O-N 3.17Å; V36-E39 PolarHBondContact O-N 3.19Å; V37-E39 VanDerWaalsContact C-N 3.35Å; V37-E39 PolarHBondContact O-N 2.66Å; E39-H42 WeakPolarHBondContact O-CB 3.45Å; E39-H42 PolarHBondContact O-N 2.97Å; E39-Q43 WeakPolarHBondContact O-CG 3.33Å; E39-Q43 PolarHBondContact O-N 3.5Å; E39-Q43 PolarHBondContact OE1-NE2 3.38Å |
| 40 | L | 92.9 | Very high | 89.6 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.9 | -71.2 | 176.3 | 0 | 0 | 0 | 112.5 | V36 V37 H42 Q43 L44 L51 C60 L64 I85 W89 | V36-L40 HydrophobicContact CG1-CD1 3.96Å; V36-L40 HydrophobicContact CG1-CG 4.31Å; V36-L40 VanDerWaalsContact O-CG 3.3Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.18Å; V37-L40 PolarHBondContact O-N 3.09Å; L40-H42 VanDerWaalsContact C-N 3.35Å; L40-Q43 PolarHBondContact O-N 2.99Å; L40-L44 PolarHBondContact O-N 2.91Å; L40-L51 HydrophobicContact CD2-CD1 3.94Å; L40-C60 HydrophobicContact CD1-CB 4.19Å; L40-L64 HydrophobicContact CD1-CD2 4.48Å; L40-I85 HydrophobicContact CB-CD1 3.66Å; L40-I85 HydrophobicContact CB-CG1 4.37Å; L40-I85 HydrophobicContact CD1-CD1 4.39Å; L40-W89 HydrophobicContact CD1-CH2 4.46Å; L40-W89 HydrophobicContact CD2-CZ2 4.22Å |
| 41 | V | 91.8 | Very high | 89.5 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 173 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V37 E38 Q43 L44 N45 N81 I85 | V37-V41 WeakPolarHBondContact O-CG2 3.45Å; V37-V41 PolarHBondContact O-N 3.09Å; E38-V41 PolarHBondContact O-N 3.29Å; V41-Q43 VanDerWaalsContact C-N 3.32Å; V41-Q43 PolarHBondContact O-N 3.44Å; V41-L44 PolarHBondContact O-N 3.41Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.39Å; V41-N45 WeakPolarHBondContact O-CB 3.35Å; V41-N45 PolarHBondContact O-N 3.28Å; V41-N45 PolarHBondContact O-ND2 3.06Å; V41-N81 HydrophobicContact CG2-CB 3.7Å; V41-I85 HydrophobicContact CG2-CD1 3.82Å; V41-I85 HydrophobicContact CG2-CG1 4.03Å |
| 42 | H | 90.3 | Very high | 89.3 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.8 | -173.7 | 65.8 | 0 | 0 | 0 | 111.3 | E38 E39 L40 L44 N45 T46 | E38-H42 PolarHBondContact O-N 3.4Å; E39-H42 WeakPolarHBondContact O-CB 3.45Å; E39-H42 PolarHBondContact O-N 2.97Å; L40-H42 VanDerWaalsContact C-N 3.35Å; H42-L44 PolarHBondContact O-N 2.78Å; H42-N45 PolarHBondContact O-N 3.32Å; H42-T46 WeakPolarHBondContact O-CG2 3.49Å; H42-T46 PolarHBondContact O-N 3.17Å; H42-T46 PolarHBondContact O-OG1 3.23Å; H42-T46 VanDerWaalsContact O-OG1 3.1Å |
| 43 | Q | 89.8 | Confident | 89.3 | Confident | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 176.8 | -79.9 | -175.9 | 36.1 | 0 | 0 | 113.4 | E39 L40 V41 T46 G47 T48 | E39-Q43 WeakPolarHBondContact O-CG 3.33Å; E39-Q43 PolarHBondContact O-N 3.5Å; E39-Q43 PolarHBondContact OE1-NE2 3.38Å; L40-Q43 PolarHBondContact O-N 2.99Å; V41-Q43 VanDerWaalsContact C-N 3.32Å; V41-Q43 PolarHBondContact O-N 3.44Å; Q43-T46 PolarHBondContact O-N 3.5Å; Q43-T46 PolarHBondContact O-OG1 3.18Å; Q43-T46 VanDerWaalsContact O-OG1 3.08Å; Q43-G47 PolarHBondContact O-N 3.17Å; Q43-T48 CarbonylContact C-O 3.58Å; Q43-T48 VanDerWaalsContact C-O 3.28Å; Q43-T48 WeakPolarHBondContact CA-O 3.45Å; Q43-T48 WeakPolarHBondContact CB-O 3.33Å; Q43-T48 PolarHBondContact O-N 3.41Å |
| 44 | L | 87.1 | Confident | 89.1 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.4 | -76.2 | 172.8 | 0 | 0 | 0 | 112.1 | L40 V41 H42 T46 G47 I85 | L40-L44 PolarHBondContact O-N 2.91Å; V41-L44 PolarHBondContact O-N 3.41Å; H42-L44 PolarHBondContact O-N 2.78Å; L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 3.33Å; L44-G47 PolarHBondContact O-N 3.4Å; L44-G47 VanDerWaalsContact O-N 3.11Å; L44-I85 HydrophobicContact CD1-CB 4.04Å; L44-I85 HydrophobicContact CD1-CG1 3.65Å; L44-I85 HydrophobicContact CD1-CG2 4.18Å |
| 45 | N | 86.3 | Confident | 89 | Confident | 129 Ų | 129 | 58.9 Ų | 58.9 | 69% | 0.69 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.6 | -33.1 | -179.6 | -74.1 | -29.8 | 0 | 0 | 0 | 113.1 | V41 H42 G47 | V41-N45 WeakPolarHBondContact CG1-ND2 3.39Å; V41-N45 WeakPolarHBondContact O-CB 3.35Å; V41-N45 PolarHBondContact O-N 3.28Å; V41-N45 PolarHBondContact O-ND2 3.06Å; H42-N45 PolarHBondContact O-N 3.32Å; N45-G47 VanDerWaalsContact C-N 3.32Å |
| 46 | T | 87.3 | Confident | 89 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -83.7 | -9.5 | 175 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | H42 Q43 L44 T48 | H42-T46 WeakPolarHBondContact O-CG2 3.49Å; H42-T46 PolarHBondContact O-N 3.17Å; H42-T46 PolarHBondContact O-OG1 3.23Å; H42-T46 VanDerWaalsContact O-OG1 3.1Å; Q43-T46 PolarHBondContact O-N 3.5Å; Q43-T46 PolarHBondContact O-OG1 3.18Å; Q43-T46 VanDerWaalsContact O-OG1 3.08Å; L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 3.33Å; T46-T48 PolarHBondContact O-N 3.08Å; T46-T48 PolarHBondContact OG1-OG1 3.47Å |
| 47 | G | 83.4 | Confident | 88.9 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 17 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q43 L44 N45 | Q43-G47 PolarHBondContact O-N 3.17Å; L44-G47 PolarHBondContact O-N 3.4Å; L44-G47 VanDerWaalsContact O-N 3.11Å; N45-G47 VanDerWaalsContact C-N 3.32Å |
| 48 | T | 83 | Confident | 88.8 | Confident | 82 Ų | 82 | 63 Ų | 63 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -106.3 | 143.7 | 179 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | Q43 T46 | Q43-T48 CarbonylContact C-O 3.58Å; Q43-T48 VanDerWaalsContact C-O 3.28Å; Q43-T48 WeakPolarHBondContact CA-O 3.45Å; Q43-T48 WeakPolarHBondContact CB-O 3.33Å; Q43-T48 PolarHBondContact O-N 3.41Å; T46-T48 PolarHBondContact O-N 3.08Å; T46-T48 PolarHBondContact OG1-OG1 3.47Å | ||
| 49 | T | 82.9 | Confident | 88.7 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | trans | -128.2 | 126.8 | 175 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L51 | T49-L51 VanDerWaalsContact C-N 3.35Å; T49-L51 PolarHBondContact OG1-N 3.24Å | ||
| 50 | A | 82.9 | Confident | 88.7 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | trans | -85.1 | -12.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T52 | A50-T52 PolarHBondContact O-N 3.1Š| ||
| 51 | L | 88.7 | Confident | 88.6 | Confident | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | trans | -80.5 | 107.2 | -177.7 | -56.5 | 175.7 | 0 | 0 | 0 | 109.8 | L40 T49 E56 V57 C60 W89 P102 | L40-L51 HydrophobicContact CD2-CD1 3.94Å; T49-L51 VanDerWaalsContact C-N 3.35Å; T49-L51 PolarHBondContact OG1-N 3.24Å; L51-E56 HydrophobicContact CD2-CB 3.82Å; L51-V57 HydrophobicContact CB-CG2 4.07Å; L51-V57 HydrophobicContact CD1-CG2 4.33Å; L51-C60 HydrophobicContact CD1-CB 4.38Å; L51-W89 HydrophobicContact CD1-CH2 3.83Å; L51-W89 HydrophobicContact CD1-CZ2 3.88Å; L51-P102 HydrophobicContact CB-CB 4.01Å; L51-P102 HydrophobicContact CB-CG 4.14Å; L51-P102 HydrophobicContact CD1-CG 3.83Å | ||
| 52 | T | 86.6 | Confident | 88.5 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 66% | 0.656 | 34% | 0.342 | S | S | * | . | trans | -104.5 | -26.2 | -173.3 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | A50 E56 | A50-T52 PolarHBondContact O-N 3.1Å; T52-E56 PolarHBondContact N-OE2 3.13Å; T52-E56 PolarHBondContact OG1-OE2 2.92Å; T52-E56 VanDerWaalsContact OG1-OE2 3.11Å | ||
| 53 | C | 90.6 | Very high | 88.6 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -127.7 | 162.2 | -176.7 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | A55 E56 V57 | C53-A55 VanDerWaalsContact C-N 3.25Å; C53-A55 PolarHBondContact O-N 3.2Å; C53-E56 PolarHBondContact N-OE2 2.84Å; C53-E56 PolarHBondContact O-N 2.98Å; C53-E56 VanDerWaalsContact SG-CG 3.52Å; C53-V57 PolarHBondContact O-N 3.16Å |
| 54 | D | 89.5 | Confident | 88.7 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.9 | -35.1 | 179.8 | -84.2 | -51.5 | 0 | 0 | 0 | 113 | V57 K58 Y112 | D54-V57 PolarHBondContact O-N 3.08Å; D54-K58 WeakPolarHBondContact O-CB 3.25Å; D54-K58 WeakPolarHBondContact O-CG 3.37Å; D54-K58 PolarHBondContact O-N 3.07Å; D54-Y112 PolarHBondContact O-OH 2.98Å; D54-Y112 VanDerWaalsContact OD1-CE2 3.3Å; D54-Y112 WeakPolarHBondContact OD1-CE2 2.85Å; D54-Y112 PolarHBondContact OD1-OH 3.4Å |
| 55 | A | 89.5 | Confident | 88.8 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.9 | -41.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | C53 K58 W59 | C53-A55 VanDerWaalsContact C-N 3.25Å; C53-A55 PolarHBondContact O-N 3.2Å; A55-K58 PolarHBondContact O-N 3.24Å; A55-W59 PolarHBondContact O-N 3.48Å; A55-W59 VanDerWaalsContact O-N 3.07Å |
| 56 | E | 92.8 | Very high | 89 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 177.2 | -68.6 | 162.2 | 174.4 | 0 | 0 | 111 | L51 T52 C53 W59 C60 | L51-E56 HydrophobicContact CD2-CB 3.82Å; T52-E56 PolarHBondContact N-OE2 3.13Å; T52-E56 PolarHBondContact OG1-OE2 2.92Å; T52-E56 VanDerWaalsContact OG1-OE2 3.11Å; C53-E56 PolarHBondContact N-OE2 2.84Å; C53-E56 PolarHBondContact O-N 2.98Å; C53-E56 VanDerWaalsContact SG-CG 3.52Å; E56-W59 PolarHBondContact O-N 2.89Å; E56-C60 PolarHBondContact O-N 3.08Å; E56-C60 PolarHBondContact O-SG 2.79Å |
| 57 | V | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -46 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L51 C53 D54 W59 C60 M61 P102 P104 L105 Y112 | L51-V57 HydrophobicContact CB-CG2 4.07Å; L51-V57 HydrophobicContact CD1-CG2 4.33Å; C53-V57 PolarHBondContact O-N 3.16Å; D54-V57 PolarHBondContact O-N 3.08Å; V57-W59 VanDerWaalsContact C-N 3.33Å; V57-W59 PolarHBondContact O-N 3.07Å; V57-C60 PolarHBondContact O-N 3.27Å; V57-M61 HydrophobicContact CG1-CG 4.32Å; V57-M61 WeakPolarHBondContact O-CG 3.44Å; V57-M61 PolarHBondContact O-N 3.15Å; V57-P102 HydrophobicContact CG2-CB 4.02Å; V57-P102 HydrophobicContact CG2-CG 4.5Å; V57-P104 HydrophobicContact CG2-CB 4.04Å; V57-P104 HydrophobicContact CG2-CG 3.95Å; V57-L105 HydrophobicContact CB-CD1 4.33Å; V57-L105 HydrophobicContact CG1-CD1 3.44Å; V57-L105 VanDerWaalsContact CG1-CD1 3.44Å; V57-L105 HydrophobicContact CG1-CG 4.36Å; V57-L105 HydrophobicContact CG2-CD1 3.89Å; V57-Y112 HydrophobicContact CB-CE1 4.39Å; V57-Y112 HydrophobicContact CG1-CD1 3.99Å; V57-Y112 HydrophobicContact CG1-CE1 3.53Å |
| 58 | K | 90.3 | Very high | 89.5 | Confident | 97 Ų | 97 | 43.3 Ų | 43.3 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 178.2 | -78.6 | -178.7 | 177 | -171.7 | 0 | 112.2 | D54 A55 M61 E62 Y112 | D54-K58 WeakPolarHBondContact O-CB 3.25Å; D54-K58 WeakPolarHBondContact O-CG 3.37Å; D54-K58 PolarHBondContact O-N 3.07Å; A55-K58 PolarHBondContact O-N 3.24Å; K58-M61 WeakPolarHBondContact O-CB 3.45Å; K58-M61 PolarHBondContact O-N 2.88Å; K58-E62 PolarHBondContact O-N 2.91Å; K58-Y112 HydrophobicContact CG-CE1 4.23Å |
| 59 | W | 91.8 | Very high | 89.6 | Confident | 131 Ų | 131 | 41.7 Ų | 41.7 | 50% | 0.496 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -45 | 176.8 | -175.2 | 81.5 | 0 | 0 | 0 | 111.5 | V36 A55 E56 V57 M61 E62 V63 | V36-W59 HydrophobicContact CG1-CZ3 4.14Å; V36-W59 HydrophobicContact CG2-CH2 3.62Å; V36-W59 HydrophobicContact CG2-CZ3 3.78Å; A55-W59 PolarHBondContact O-N 3.48Å; A55-W59 VanDerWaalsContact O-N 3.07Å; E56-W59 PolarHBondContact O-N 2.89Å; V57-W59 VanDerWaalsContact C-N 3.33Å; V57-W59 PolarHBondContact O-N 3.07Å; W59-M61 VanDerWaalsContact C-N 3.31Å; W59-M61 PolarHBondContact O-N 3.01Å; W59-E62 WeakPolarHBondContact O-CB 3.39Å; W59-E62 PolarHBondContact O-N 3.35Å; W59-E62 VanDerWaalsContact O-N 3.15Å; W59-V63 HydrophobicContact CD2-CG2 4.3Å; W59-V63 HydrophobicContact CE3-CG2 4.21Å; W59-V63 HydrophobicContact CH2-CG2 4.03Å; W59-V63 HydrophobicContact CZ2-CG2 4.09Å; W59-V63 HydrophobicContact CZ3-CG2 4.08Å; W59-V63 WeakPolarHBondContact O-CG2 3.42Å; W59-V63 PolarHBondContact O-N 2.82Å; W59-V63 VanDerWaalsContact O-N 3.16Å |
| 60 | C | 92.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | 174.5 | -71.9 | 0 | 0 | 0 | 0 | 112.8 | L40 L51 E56 V57 E62 V63 L64 W89 | L40-C60 HydrophobicContact CD1-CB 4.19Å; L51-C60 HydrophobicContact CD1-CB 4.38Å; E56-C60 PolarHBondContact O-N 3.08Å; E56-C60 PolarHBondContact O-SG 2.79Å; V57-C60 PolarHBondContact O-N 3.27Å; C60-E62 VanDerWaalsContact C-N 3.33Å; C60-E62 PolarHBondContact O-N 3.24Å; C60-V63 WeakPolarHBondContact O-CB 3.37Å; C60-V63 PolarHBondContact O-N 2.9Å; C60-V63 VanDerWaalsContact O-N 3.15Å; C60-L64 WeakPolarHBondContact O-CG 3.46Å; C60-L64 PolarHBondContact O-N 3.42Å; C60-W89 HydrophobicContact CB-CH2 4.19Å |
| 61 | M | 90.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 174.8 | -74.2 | -68.3 | -72.5 | 0 | 0 | 112.3 | V57 K58 W59 V63 L64 S65 W89 E115 I116 Q119 | V57-M61 HydrophobicContact CG1-CG 4.32Å; V57-M61 WeakPolarHBondContact O-CG 3.44Å; V57-M61 PolarHBondContact O-N 3.15Å; K58-M61 WeakPolarHBondContact O-CB 3.45Å; K58-M61 PolarHBondContact O-N 2.88Å; W59-M61 VanDerWaalsContact C-N 3.31Å; W59-M61 PolarHBondContact O-N 3.01Å; M61-V63 VanDerWaalsContact C-N 3.32Å; M61-L64 PolarHBondContact O-N 3.21Å; M61-L64 HydrophobicContact SD-CD1 4.21Å; M61-S65 WeakPolarHBondContact O-CB 3.42Å; M61-S65 PolarHBondContact O-N 2.9Å; M61-W89 HydrophobicContact CG-CZ3 4.13Å; M61-W89 HydrophobicContact SD-CE3 3.85Å; M61-W89 HydrophobicContact SD-CZ3 3.7Å; M61-E115 HydrophobicContact CE-CB 3.95Å; M61-E115 HydrophobicContact CE-CG 3.71Å; M61-I116 HydrophobicContact CE-CB 4.29Å; M61-I116 HydrophobicContact CE-CG1 3.42Å; M61-I116 VanDerWaalsContact CE-CG1 3.42Å; M61-I116 HydrophobicContact SD-CG1 4Å; M61-Q119 VanDerWaalsContact CE-OE1 3.26Å; M61-Q119 PolarHBondContact O-NE2 3.28Å |
| 62 | E | 90 | Very high | 89.3 | Confident | 80 Ų | 80 | 41 Ų | 41 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -36.9 | 172.4 | -70.7 | -174.9 | -173.2 | 0 | 0 | 111.8 | S19 V20 K58 W59 C60 Y66 | S19-E62 WeakPolarHBondContact CB-O 3.19Å; S19-E62 PolarHBondContact OG-O 3.22Å; V20-E62 WeakPolarHBondContact CG2-OE2 3.2Å; K58-E62 PolarHBondContact O-N 2.91Å; W59-E62 WeakPolarHBondContact O-CB 3.39Å; W59-E62 PolarHBondContact O-N 3.35Å; W59-E62 VanDerWaalsContact O-N 3.15Å; C60-E62 VanDerWaalsContact C-N 3.33Å; C60-E62 PolarHBondContact O-N 3.24Å; E62-Y66 PolarHBondContact O-N 3.43Å |
| 63 | V | 92.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.7 | -42.3 | 176.7 | -178 | 0 | 0 | 0 | 0 | 111.3 | L21 A33 V36 W59 C60 M61 Y66 A67 | L21-V63 HydrophobicContact CD1-CB 4.36Å; L21-V63 HydrophobicContact CD1-CG1 4.16Å; L21-V63 HydrophobicContact CD1-CG2 4.12Å; A33-V63 HydrophobicContact CB-CG1 4.07Å; V36-V63 HydrophobicContact CB-CG1 3.9Å; V36-V63 HydrophobicContact CG1-CB 4.3Å; V36-V63 HydrophobicContact CG1-CG1 4.02Å; V36-V63 HydrophobicContact CG1-CG2 4.47Å; V36-V63 HydrophobicContact CG2-CG1 4.34Å; W59-V63 HydrophobicContact CD2-CG2 4.3Å; W59-V63 HydrophobicContact CE3-CG2 4.21Å; W59-V63 HydrophobicContact CH2-CG2 4.03Å; W59-V63 HydrophobicContact CZ2-CG2 4.09Å; W59-V63 HydrophobicContact CZ3-CG2 4.08Å; W59-V63 WeakPolarHBondContact O-CG2 3.42Å; W59-V63 PolarHBondContact O-N 2.82Å; W59-V63 VanDerWaalsContact O-N 3.16Å; C60-V63 WeakPolarHBondContact O-CB 3.37Å; C60-V63 PolarHBondContact O-N 2.9Å; C60-V63 VanDerWaalsContact O-N 3.15Å; M61-V63 VanDerWaalsContact C-N 3.32Å; V63-Y66 WeakPolarHBondContact O-CB 3.43Å; V63-Y66 PolarHBondContact O-N 2.82Å; V63-A67 PolarHBondContact O-N 3.37Å |
| 64 | L | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 176 | -70 | 168.9 | 0 | 0 | 0 | 111.9 | V37 L40 C60 M61 Y66 A67 L68 I85 W89 | V37-L64 HydrophobicContact CG2-CD2 4.08Å; L40-L64 HydrophobicContact CD1-CD2 4.48Å; C60-L64 WeakPolarHBondContact O-CG 3.46Å; C60-L64 PolarHBondContact O-N 3.42Å; M61-L64 PolarHBondContact O-N 3.21Å; M61-L64 HydrophobicContact SD-CD1 4.21Å; L64-Y66 VanDerWaalsContact C-N 3.32Å; L64-Y66 PolarHBondContact O-N 3.27Å; L64-A67 PolarHBondContact O-N 2.9Å; L64-A67 VanDerWaalsContact O-N 3.17Å; L64-L68 WeakPolarHBondContact O-CG 3.14Å; L64-L68 PolarHBondContact O-N 2.68Å; L64-I85 HydrophobicContact CD1-CG2 3.83Å; L64-I85 HydrophobicContact CD2-CB 4.31Å; L64-I85 HydrophobicContact CD2-CD1 3.89Å; L64-I85 HydrophobicContact CD2-CG2 4.21Å; L64-W89 HydrophobicContact CD1-CE3 4.29Å; L64-W89 HydrophobicContact CD1-CH2 4.23Å; L64-W89 HydrophobicContact CD1-CZ3 3.82Å |
| 65 | S | 88.5 | Confident | 88.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 173.5 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | S17 M61 A69 | S17-S65 WeakPolarHBondContact CB-OG 3.35Å; S17-S65 PolarHBondContact OG-OG 3.49Å; M61-S65 WeakPolarHBondContact O-CB 3.42Å; M61-S65 PolarHBondContact O-N 2.9Å; S65-A69 PolarHBondContact O-N 3.48Å |
| 66 | Y | 90.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.8 | -177.4 | -98.1 | 0 | 0 | 0 | 112.2 | L21 H22 G29 A33 E62 V63 L64 L68 A69 L70 | L21-Y66 HydrophobicContact CB-CD1 4.18Å; L21-Y66 HydrophobicContact CB-CD2 3.46Å; L21-Y66 VanDerWaalsContact CB-CD2 3.46Å; L21-Y66 HydrophobicContact CB-CE2 3.95Å; L21-Y66 HydrophobicContact CB-CG 3.58Å; L21-Y66 HydrophobicContact CD1-CD1 4.04Å; L21-Y66 HydrophobicContact CD1-CG 3.97Å; L21-Y66 HydrophobicContact CG-CG 4.44Å; H22-Y66 AromaticContact CD2-CD2 3.76Å; H22-Y66 AromaticContact CE1-CD2 3.62Å; H22-Y66 AromaticContact CE1-CE2 3.75Å; H22-Y66 AromaticContact CG-CD2 3.82Å; H22-Y66 AromaticContact CG-CE2 3.95Å; H22-Y66 AromaticContact ND1-CD2 3.75Å; H22-Y66 AromaticContact ND1-CE2 3.57Å; H22-Y66 AromaticContact NE2-CD2 3.63Å; G29-Y66 WeakPolarHBondContact O-CE1 3.39Å; A33-Y66 HydrophobicContact CB-CD1 3.87Å; A33-Y66 HydrophobicContact CB-CE1 4.35Å; E62-Y66 PolarHBondContact O-N 3.43Å; V63-Y66 WeakPolarHBondContact O-CB 3.43Å; V63-Y66 PolarHBondContact O-N 2.82Å; L64-Y66 VanDerWaalsContact C-N 3.32Å; L64-Y66 PolarHBondContact O-N 3.27Å; Y66-L68 VanDerWaalsContact C-N 3.34Å; Y66-L68 PolarHBondContact O-N 3.35Å; Y66-A69 PolarHBondContact O-N 3.21Å; Y66-A69 VanDerWaalsContact O-N 3.17Å; Y66-L70 HydrophobicContact CE1-CD2 3.86Å; Y66-L70 HydrophobicContact CE1-CG 4.38Å; Y66-L70 PolarHBondContact O-N 3.44Å |
| 67 | A | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A33 V37 V63 L64 A69 L70 I78 I79 S82 | A33-A67 HydrophobicContact CB-CB 4.42Å; V37-A67 HydrophobicContact CG2-CB 4.2Å; V63-A67 PolarHBondContact O-N 3.37Å; L64-A67 PolarHBondContact O-N 2.9Å; L64-A67 VanDerWaalsContact O-N 3.17Å; A67-A69 VanDerWaalsContact C-N 3.26Å; A67-A69 PolarHBondContact O-N 2.97Å; A67-L70 WeakPolarHBondContact O-CB 3.22Å; A67-L70 PolarHBondContact O-N 3.45Å; A67-I78 HydrophobicContact CB-CD1 3.91Å; A67-I78 HydrophobicContact CB-CG1 4.06Å; A67-I79 WeakPolarHBondContact O-CG1 3.23Å; A67-S82 VanDerWaalsContact CB-OG 3.27Å; A67-S82 WeakPolarHBondContact CB-OG 3.48Å |
| 68 | L | 89.7 | Confident | 87.9 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -23.5 | 177.4 | -70.3 | 170.3 | 0 | 0 | 0 | 113.3 | L64 Y66 V83 Q119 L123 | L64-L68 WeakPolarHBondContact O-CG 3.14Å; L64-L68 PolarHBondContact O-N 2.68Å; Y66-L68 VanDerWaalsContact C-N 3.34Å; Y66-L68 PolarHBondContact O-N 3.35Å; L68-V83 HydrophobicContact CD2-CG2 3.64Å; L68-Q119 HydrophobicContact CD1-CB 4.09Å; L68-L123 HydrophobicContact CD2-CD1 4.39Å; L68-L123 HydrophobicContact CD2-CD2 4.13Å; L68-L123 HydrophobicContact CD2-CG 4.38Å |
| 69 | A | 85 | Confident | 87.9 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 40% | 0.397 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | S65 Y66 A67 | S65-A69 PolarHBondContact O-N 3.48Å; Y66-A69 PolarHBondContact O-N 3.21Å; Y66-A69 VanDerWaalsContact O-N 3.17Å; A67-A69 VanDerWaalsContact C-N 3.26Å; A67-A69 PolarHBondContact O-N 2.97Å |
| 70 | L | 87 | Confident | 88 | Confident | 22 Ų | 22 | 30.7 Ų | 30.7 | 12% | 0.115 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -70.6 | 153.2 | -179.6 | -70.3 | 171.2 | 0 | 0 | 0 | 112.5 | L30 Y66 A67 L72 N75 I78 I79 | L30-L70 HydrophobicContact CD1-CD1 3.58Å; L30-L70 HydrophobicContact CD1-CD2 4.46Å; Y66-L70 HydrophobicContact CE1-CD2 3.86Å; Y66-L70 HydrophobicContact CE1-CG 4.38Å; Y66-L70 PolarHBondContact O-N 3.44Å; A67-L70 WeakPolarHBondContact O-CB 3.22Å; A67-L70 PolarHBondContact O-N 3.45Å; L70-L72 PolarHBondContact O-N 3.09Å; L70-N75 HydrophobicContact CB-CB 4.04Å; L70-N75 HydrophobicContact CD1-CB 4.19Å; L70-I78 HydrophobicContact CD1-CD1 4.16Å; L70-I78 HydrophobicContact CD1-CG2 3.93Å; L70-I79 HydrophobicContact CB-CD1 4.25Å; L70-I79 HydrophobicContact CB-CG1 4.44Å; L70-I79 WeakPolarHBondContact O-CD1 3.47Å |
| 71 | P | 81.8 | Confident | 88 | Confident | 85 Ų | 85 | 33.2 Ų | 33.2 | 55% | 0.552 | 20% | 0.196 | S | C | * | . | trans | -61.4 | 128.3 | 172.1 | -21.9 | 32.6 | 0 | 0 | 0 | 112 | N73 N75 | P71-N73 PolarHBondContact O-N 2.96Å; P71-N75 WeakPolarHBondContact O-CB 3.31Å; P71-N75 PolarHBondContact O-N 2.86Å; P71-N75 PolarHBondContact O-ND2 2.82Å | ||
| 72 | L | 80 | Confident | 88.2 | Confident | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | -171.2 | -164.7 | 72.6 | 0 | 0 | 0 | 113.8 | L70 S74 N75 Y76 I79 T136 R139 R140 | L70-L72 PolarHBondContact O-N 3.09Å; L72-S74 PolarHBondContact O-N 2.96Å; L72-N75 PolarHBondContact O-N 2.66Å; L72-Y76 HydrophobicContact CD1-CD2 3.95Å; L72-Y76 HydrophobicContact CG-CD2 4.32Å; L72-Y76 WeakPolarHBondContact O-CA 3.37Å; L72-Y76 WeakPolarHBondContact O-CB 3.43Å; L72-Y76 PolarHBondContact O-N 3.36Å; L72-I79 HydrophobicContact CB-CD1 4.39Å; L72-I79 HydrophobicContact CD1-CB 4.32Å; L72-I79 HydrophobicContact CD1-CD1 3.72Å; L72-I79 HydrophobicContact CD1-CG2 3.96Å; L72-T136 HydrophobicContact CD2-CG2 3.99Å; L72-T136 WeakPolarHBondContact CD2-O 3.49Å; L72-R139 HydrophobicContact CD2-CB 4.23Å; L72-R140 HydrophobicContact CD2-CB 3.62Å; L72-R140 HydrophobicContact CD2-CG 4.19Å |
| 73 | N | 75.5 | Confident | 88.4 | Confident | 96 Ų | 96 | 29.1 Ų | 29.1 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.7 | -44.5 | -169.3 | -59.3 | 16.9 | 0 | 0 | 0 | 112.1 | P71 T136 | P71-N73 PolarHBondContact O-N 2.96Å; N73-T136 WeakPolarHBondContact OD1-CG2 3.38Å; N73-T136 PolarHBondContact OD1-OG1 3.46Å |
| 74 | S | 81 | Confident | 88.4 | Confident | 94 Ų | 94 | 31.2 Ų | 31.2 | 66% | 0.657 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -90.5 | -16.1 | -178.1 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | L72 | L72-S74 PolarHBondContact O-N 2.96Å |
| 75 | N | 86.7 | Confident | 88.5 | Confident | 20 Ų | 20 | 31.2 Ų | 31.2 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -129.9 | 26.7 | -169.2 | -55.4 | -63.9 | 0 | 0 | 0 | 113.4 | L30 L70 P71 L72 T77 I78 I79 | L30-N75 WeakPolarHBondContact CD1-OD1 3.4Å; L70-N75 HydrophobicContact CB-CB 4.04Å; L70-N75 HydrophobicContact CD1-CB 4.19Å; P71-N75 WeakPolarHBondContact O-CB 3.31Å; P71-N75 PolarHBondContact O-N 2.86Å; P71-N75 PolarHBondContact O-ND2 2.82Å; L72-N75 PolarHBondContact O-N 2.66Å; N75-T77 VanDerWaalsContact C-N 3.3Å; N75-T77 PolarHBondContact O-N 2.93Å; N75-I78 HydrophobicContact CB-CG2 3.68Å; N75-I78 WeakPolarHBondContact O-CG2 3.49Å; N75-I78 PolarHBondContact O-N 3.15Å; N75-I79 HydrophobicContact CB-CD1 4.26Å; N75-I79 WeakPolarHBondContact O-CD1 3.46Å; N75-I79 WeakPolarHBondContact O-CG1 3.28Å; N75-I79 PolarHBondContact O-N 3.37Å |
| 76 | Y | 87.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 31 Ų | 31 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.9 | -41 | -174.8 | 176 | -112.1 | 0 | 0 | 0 | 113.7 | L72 I79 S80 R139 E143 | L72-Y76 HydrophobicContact CD1-CD2 3.95Å; L72-Y76 HydrophobicContact CG-CD2 4.32Å; L72-Y76 WeakPolarHBondContact O-CA 3.37Å; L72-Y76 WeakPolarHBondContact O-CB 3.43Å; L72-Y76 PolarHBondContact O-N 3.36Å; Y76-I79 PolarHBondContact O-N 3.44Å; Y76-S80 WeakPolarHBondContact O-CB 3.46Å; Y76-S80 PolarHBondContact O-N 3.47Å; Y76-R139 HydrophobicContact CD2-CB 3.79Å; Y76-R139 HydrophobicContact CD2-CG 4.03Å; Y76-R139 HydrophobicContact CE1-CG 4.28Å; Y76-R139 HydrophobicContact CE2-CB 3.55Å; Y76-R139 HydrophobicContact CE2-CG 3.83Å; Y76-R139 HydrophobicContact CG-CG 4.39Å; Y76-E143 HydrophobicContact CE2-CG 4.09Å; Y76-E143 PolarHBondContact OH-OE1 2.95Å |
| 77 | T | 89.9 | Confident | 89 | Confident | 96 Ų | 96 | 31.1 Ų | 31.1 | 59% | 0.589 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -63.5 | -47.5 | -176.8 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | N75 I79 S80 N81 | N75-T77 VanDerWaalsContact C-N 3.3Å; N75-T77 PolarHBondContact O-N 2.93Å; T77-I79 VanDerWaalsContact C-N 3.34Å; T77-I79 PolarHBondContact O-N 3.02Å; T77-S80 PolarHBondContact O-N 2.99Å; T77-N81 WeakPolarHBondContact O-CB 3.26Å; T77-N81 VanDerWaalsContact O-CG 3.29Å; T77-N81 PolarHBondContact O-N 3.09Å |
| 78 | I | 91.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | 178.6 | -170.6 | -174.3 | 0 | 0 | 0 | 111.3 | A33 N34 V37 A67 L70 N75 S82 | A33-I78 HydrophobicContact CB-CD1 3.59Å; N34-I78 HydrophobicContact CB-CD1 4.42Å; N34-I78 WeakPolarHBondContact OD1-CB 2.93Å; N34-I78 WeakPolarHBondContact OD1-CD1 2.76Å; V37-I78 HydrophobicContact CB-CG1 4.07Å; V37-I78 HydrophobicContact CG1-CG1 4.07Å; V37-I78 HydrophobicContact CG2-CD1 4.34Å; V37-I78 HydrophobicContact CG2-CG1 4.04Å; A67-I78 HydrophobicContact CB-CD1 3.91Å; A67-I78 HydrophobicContact CB-CG1 4.06Å; L70-I78 HydrophobicContact CD1-CD1 4.16Å; L70-I78 HydrophobicContact CD1-CG2 3.93Å; N75-I78 HydrophobicContact CB-CG2 3.68Å; N75-I78 WeakPolarHBondContact O-CG2 3.49Å; N75-I78 PolarHBondContact O-N 3.15Å; I78-S82 WeakPolarHBondContact O-CB 3Å; I78-S82 PolarHBondContact O-N 2.93Å; I78-S82 PolarHBondContact O-OG 3.22Å |
| 79 | I | 90.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -52.7 | 176.2 | -66.7 | 161 | 0 | 0 | 0 | 110 | A67 L70 L72 N75 Y76 T77 N81 S82 V83 L123 | A67-I79 WeakPolarHBondContact O-CG1 3.23Å; L70-I79 HydrophobicContact CB-CD1 4.25Å; L70-I79 HydrophobicContact CB-CG1 4.44Å; L70-I79 WeakPolarHBondContact O-CD1 3.47Å; L72-I79 HydrophobicContact CB-CD1 4.39Å; L72-I79 HydrophobicContact CD1-CB 4.32Å; L72-I79 HydrophobicContact CD1-CD1 3.72Å; L72-I79 HydrophobicContact CD1-CG2 3.96Å; N75-I79 HydrophobicContact CB-CD1 4.26Å; N75-I79 WeakPolarHBondContact O-CD1 3.46Å; N75-I79 WeakPolarHBondContact O-CG1 3.28Å; N75-I79 PolarHBondContact O-N 3.37Å; Y76-I79 PolarHBondContact O-N 3.44Å; T77-I79 VanDerWaalsContact C-N 3.34Å; T77-I79 PolarHBondContact O-N 3.02Å; I79-N81 VanDerWaalsContact C-N 3.31Å; I79-N81 PolarHBondContact O-N 3.22Å; I79-S82 WeakPolarHBondContact O-CA 3.28Å; I79-S82 WeakPolarHBondContact O-CB 3.46Å; I79-S82 PolarHBondContact O-N 2.91Å; I79-V83 HydrophobicContact CG2-CG2 4.46Å; I79-V83 WeakPolarHBondContact O-CG2 2.8Å; I79-V83 PolarHBondContact O-N 3.21Å; I79-L123 HydrophobicContact CG2-CD2 4.07Å |
| 80 | S | 93 | Very high | 89.8 | Confident | 14 Ų | 14 | 30 Ų | 30 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 179.8 | -166 | 0 | 0 | 0 | 0 | 111.7 | Y76 T77 S82 V83 V84 E143 R146 | Y76-S80 WeakPolarHBondContact O-CB 3.46Å; Y76-S80 PolarHBondContact O-N 3.47Å; T77-S80 PolarHBondContact O-N 2.99Å; S80-S82 VanDerWaalsContact C-N 3.34Å; S80-S82 PolarHBondContact O-N 3.45Å; S80-V83 PolarHBondContact O-N 2.96Å; S80-V84 WeakPolarHBondContact O-CG2 3.23Å; S80-V84 PolarHBondContact O-N 3.17Å; S80-E143 WeakPolarHBondContact CB-OE1 3.35Å; S80-E143 VanDerWaalsContact OG-CD 3.24Å; S80-E143 PolarHBondContact OG-OE1 3.18Å; S80-E143 PolarHBondContact OG-OE2 2.72Å; S80-R146 PolarHBondContact OG-NH1 2.88Å; S80-R146 VanDerWaalsContact OG-NH1 3.08Å |
| 81 | N | 94.3 | Very high | 90.1 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 32% | 0.321 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.7 | -41 | 175 | -77.8 | -9 | 0 | 0 | 0 | 112.4 | V37 V41 T77 I79 V84 I85 | V37-N81 HydrophobicContact CG1-CB 3.57Å; V41-N81 HydrophobicContact CG2-CB 3.7Å; T77-N81 WeakPolarHBondContact O-CB 3.26Å; T77-N81 VanDerWaalsContact O-CG 3.29Å; T77-N81 PolarHBondContact O-N 3.09Å; I79-N81 VanDerWaalsContact C-N 3.31Å; I79-N81 PolarHBondContact O-N 3.22Å; N81-V84 PolarHBondContact O-N 3.2Å; N81-I85 VanDerWaalsContact O-CG1 3.3Å; N81-I85 WeakPolarHBondContact O-CG1 3.14Å; N81-I85 PolarHBondContact O-N 2.97Å |
| 82 | S | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | A67 I78 I79 S80 V84 I85 C86 | A67-S82 VanDerWaalsContact CB-OG 3.27Å; A67-S82 WeakPolarHBondContact CB-OG 3.48Å; I78-S82 WeakPolarHBondContact O-CB 3Å; I78-S82 PolarHBondContact O-N 2.93Å; I78-S82 PolarHBondContact O-OG 3.22Å; I79-S82 WeakPolarHBondContact O-CA 3.28Å; I79-S82 WeakPolarHBondContact O-CB 3.46Å; I79-S82 PolarHBondContact O-N 2.91Å; S80-S82 VanDerWaalsContact C-N 3.34Å; S80-S82 PolarHBondContact O-N 3.45Å; S82-V84 VanDerWaalsContact C-N 3.34Å; S82-V84 PolarHBondContact O-N 3.2Å; S82-I85 PolarHBondContact O-N 3.33Å; S82-C86 WeakPolarHBondContact O-CB 3.16Å; S82-C86 PolarHBondContact O-N 3.48Å; S82-C86 PolarHBondContact O-SG 3.26Å; S82-C86 VanDerWaalsContact O-SG 3.38Å |
| 83 | V | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | L68 I79 S80 C86 C87 L120 L123 E143 V147 | L68-V83 HydrophobicContact CD2-CG2 3.64Å; I79-V83 HydrophobicContact CG2-CG2 4.46Å; I79-V83 WeakPolarHBondContact O-CG2 2.8Å; I79-V83 PolarHBondContact O-N 3.21Å; S80-V83 PolarHBondContact O-N 2.96Å; V83-C86 PolarHBondContact O-N 2.62Å; V83-C87 VanDerWaalsContact O-CB 3.29Å; V83-C87 WeakPolarHBondContact O-CB 3.39Å; V83-C87 PolarHBondContact O-N 3.07Å; V83-C87 PolarHBondContact O-SG 2.9Å; V83-L120 HydrophobicContact CG1-CD2 4.48Å; V83-L123 HydrophobicContact CG1-CD1 4.42Å; V83-L123 HydrophobicContact CG2-CD1 3.53Å; V83-L123 HydrophobicContact CG2-CD2 3.98Å; V83-L123 HydrophobicContact CG2-CG 4.37Å; V83-E143 HydrophobicContact CG2-CB 4.38Å; V83-V147 HydrophobicContact CG1-CG2 3.79Å |
| 84 | V | 93.2 | Very high | 92 | Very high | 46 Ų | 46 | 20.6 Ų | 20.6 | 28% | 0.279 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 177.3 | 171 | 0 | 0 | 0 | 0 | 110.7 | S80 N81 S82 C86 C87 D88 | S80-V84 WeakPolarHBondContact O-CG2 3.23Å; S80-V84 PolarHBondContact O-N 3.17Å; N81-V84 PolarHBondContact O-N 3.2Å; S82-V84 VanDerWaalsContact C-N 3.34Å; S82-V84 PolarHBondContact O-N 3.2Å; V84-C86 PolarHBondContact O-N 2.86Å; V84-C87 PolarHBondContact O-N 3.33Å; V84-D88 PolarHBondContact O-N 3.48Å |
| 85 | I | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.3 | -52.2 | 177.6 | -67.3 | 160.3 | 0 | 0 | 0 | 110.6 | V37 L40 V41 L44 L64 N81 S82 C87 D88 W89 | V37-I85 HydrophobicContact CG1-CD1 4.01Å; L40-I85 HydrophobicContact CB-CD1 3.66Å; L40-I85 HydrophobicContact CB-CG1 4.37Å; L40-I85 HydrophobicContact CD1-CD1 4.39Å; V41-I85 HydrophobicContact CG2-CD1 3.82Å; V41-I85 HydrophobicContact CG2-CG1 4.03Å; L44-I85 HydrophobicContact CD1-CB 4.04Å; L44-I85 HydrophobicContact CD1-CG1 3.65Å; L44-I85 HydrophobicContact CD1-CG2 4.18Å; L64-I85 HydrophobicContact CD1-CG2 3.83Å; L64-I85 HydrophobicContact CD2-CB 4.31Å; L64-I85 HydrophobicContact CD2-CD1 3.89Å; L64-I85 HydrophobicContact CD2-CG2 4.21Å; N81-I85 VanDerWaalsContact O-CG1 3.3Å; N81-I85 WeakPolarHBondContact O-CG1 3.14Å; N81-I85 PolarHBondContact O-N 2.97Å; S82-I85 PolarHBondContact O-N 3.33Å; I85-C87 PolarHBondContact O-N 3.11Å; I85-D88 PolarHBondContact O-N 2.76Å; I85-W89 HydrophobicContact CG2-CD2 3.9Å; I85-W89 HydrophobicContact CG2-CE3 4.32Å; I85-W89 HydrophobicContact CG2-CG 4.28Å; I85-W89 HydrophobicContact CG2-CH2 4.47Å; I85-W89 HydrophobicContact CG2-CZ2 4.04Å; I85-W89 VanDerWaalsContact O-CB 3.29Å; I85-W89 WeakPolarHBondContact O-CB 3.3Å; I85-W89 PolarHBondContact O-N 3.2Å |
| 86 | C | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 179.1 | -72.8 | 0 | 0 | 0 | 0 | 112.3 | S82 V83 V84 D88 W89 L90 I116 L120 | S82-C86 WeakPolarHBondContact O-CB 3.16Å; S82-C86 PolarHBondContact O-N 3.48Å; S82-C86 PolarHBondContact O-SG 3.26Å; S82-C86 VanDerWaalsContact O-SG 3.38Å; V83-C86 PolarHBondContact O-N 2.62Å; V84-C86 PolarHBondContact O-N 2.86Å; C86-D88 VanDerWaalsContact C-N 3.35Å; C86-D88 PolarHBondContact O-N 3.37Å; C86-W89 PolarHBondContact O-N 3.5Å; C86-L90 WeakPolarHBondContact O-CB 3.46Å; C86-L90 PolarHBondContact O-N 3.16Å; C86-I116 HydrophobicContact CB-CG2 3.9Å; C86-I116 WeakPolarHBondContact O-CG2 3.35Å; C86-L120 HydrophobicContact CB-CD1 4.15Å; C86-L120 HydrophobicContact CB-CD2 3.69Å; C86-L120 HydrophobicContact CB-CG 3.98Å |
| 87 | C | 94.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.02 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 178.8 | -77 | 0 | 0 | 0 | 0 | 112.7 | V83 V84 I85 R150 | V83-C87 VanDerWaalsContact O-CB 3.29Å; V83-C87 WeakPolarHBondContact O-CB 3.39Å; V83-C87 PolarHBondContact O-N 3.07Å; V83-C87 PolarHBondContact O-SG 2.9Å; V84-C87 PolarHBondContact O-N 3.33Å; I85-C87 PolarHBondContact O-N 3.11Å; C87-R150 HydrophobicContact CB-CB 4.2Å; C87-R150 HydrophobicContact CB-CG 3.87Å; C87-R150 WeakPolarHBondContact O-CD 3.46Å; C87-R150 WeakPolarHBondContact O-CG 3.41Å; C87-R150 PolarHBondContact O-NE 2.85Å |
| 88 | D | 93.6 | Very high | 91.8 | Very high | 29 Ų | 29 | 22.2 Ų | 22.2 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -76.9 | -36.8 | 179.3 | -71 | -12.4 | 0 | 0 | 0 | 111.3 | V84 I85 C86 L90 T91 I98 R150 | V84-D88 PolarHBondContact O-N 3.48Å; I85-D88 PolarHBondContact O-N 2.76Å; C86-D88 VanDerWaalsContact C-N 3.35Å; C86-D88 PolarHBondContact O-N 3.37Å; D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 3.18Å; D88-T91 WeakPolarHBondContact O-CB 3.46Å; D88-T91 WeakPolarHBondContact O-CG2 3.49Å; D88-T91 PolarHBondContact O-N 3.34Å; D88-T91 VanDerWaalsContact O-N 3.11Å; D88-T91 PolarHBondContact O-OG1 3.03Å; D88-I98 HydrophobicContact CB-CD1 4.28Å; D88-R150 IonicContact OD1-CZ 2.72Å; D88-R150 IonicContact OD1-NE 2.7Å; D88-R150 IonicContact OD1-NH2 2.81Å; D88-R150 PolarHBondContact OD1-NH2 3.42Å |
| 89 | W | 94.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -31.9 | 172 | -79 | 15.7 | 0 | 0 | 0 | 113 | L40 L51 C60 M61 L64 I85 C86 T91 C92 P102 L105 I116 | L40-W89 HydrophobicContact CD1-CH2 4.46Å; L40-W89 HydrophobicContact CD2-CZ2 4.22Å; L51-W89 HydrophobicContact CD1-CH2 3.83Å; L51-W89 HydrophobicContact CD1-CZ2 3.88Å; C60-W89 HydrophobicContact CB-CH2 4.19Å; M61-W89 HydrophobicContact CG-CZ3 4.13Å; M61-W89 HydrophobicContact SD-CE3 3.85Å; M61-W89 HydrophobicContact SD-CZ3 3.7Å; L64-W89 HydrophobicContact CD1-CE3 4.29Å; L64-W89 HydrophobicContact CD1-CH2 4.23Å; L64-W89 HydrophobicContact CD1-CZ3 3.82Å; I85-W89 HydrophobicContact CG2-CD2 3.9Å; I85-W89 HydrophobicContact CG2-CE3 4.32Å; I85-W89 HydrophobicContact CG2-CG 4.28Å; I85-W89 HydrophobicContact CG2-CH2 4.47Å; I85-W89 HydrophobicContact CG2-CZ2 4.04Å; I85-W89 VanDerWaalsContact O-CB 3.29Å; I85-W89 WeakPolarHBondContact O-CB 3.3Å; I85-W89 PolarHBondContact O-N 3.2Å; C86-W89 PolarHBondContact O-N 3.5Å; W89-T91 PolarHBondContact O-N 3.15Å; W89-T91 VanDerWaalsContact O-N 3.14Å; W89-C92 WeakPolarHBondContact O-CB 3.29Å; W89-C92 PolarHBondContact O-N 3.4Å; W89-C92 VanDerWaalsContact O-N 3.1Å; W89-C92 PolarHBondContact O-SG 3.44Å; W89-P102 HydrophobicContact CH2-CG 4.46Å; W89-P102 HydrophobicContact CZ2-CG 3.82Å; W89-L105 HydrophobicContact CB-CD2 3.53Å; W89-L105 HydrophobicContact CD2-CD2 3.71Å; W89-L105 HydrophobicContact CE3-CD1 4.5Å; W89-L105 HydrophobicContact CE3-CD2 3.72Å; W89-L105 HydrophobicContact CG-CD2 3.66Å; W89-I116 HydrophobicContact CB-CD1 3.78Å |
| 90 | L | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -61.6 | -19.7 | 174.5 | -162.6 | 67.5 | 0 | 0 | 0 | 112.7 | C86 D88 C92 L93 I116 L117 I151 M170 | C86-L90 WeakPolarHBondContact O-CB 3.46Å; C86-L90 PolarHBondContact O-N 3.16Å; D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 3.18Å; L90-C92 PolarHBondContact O-N 2.98Å; L90-C92 VanDerWaalsContact O-N 3.14Å; L90-L93 HydrophobicContact CD1-CD1 4.06Å; L90-L93 HydrophobicContact CG-CD1 4.27Å; L90-L93 PolarHBondContact O-N 3.4Å; L90-I116 HydrophobicContact CB-CG2 4.43Å; L90-I116 HydrophobicContact CD1-CB 4.37Å; L90-I116 HydrophobicContact CD1-CG2 4.09Å; L90-L117 HydrophobicContact CD1-CD2 4.32Å; L90-L117 HydrophobicContact CD1-CG 4.15Å; L90-L117 HydrophobicContact CD2-CD2 4.13Å; L90-I151 HydrophobicContact CD2-CG1 4.27Å; L90-M170 HydrophobicContact CD2-CE 4.34Å |
| 91 | T | 93.8 | Very high | 91 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -68.1 | -6.8 | 174.8 | 70.4 | 0 | 0 | 0 | 0 | 114 | D88 W89 L93 T94 I98 V154 | D88-T91 WeakPolarHBondContact O-CB 3.46Å; D88-T91 WeakPolarHBondContact O-CG2 3.49Å; D88-T91 PolarHBondContact O-N 3.34Å; D88-T91 VanDerWaalsContact O-N 3.11Å; D88-T91 PolarHBondContact O-OG1 3.03Å; W89-T91 PolarHBondContact O-N 3.15Å; W89-T91 VanDerWaalsContact O-N 3.14Å; T91-L93 PolarHBondContact O-N 3.47Å; T91-T94 PolarHBondContact O-N 3.47Å; T91-T94 PolarHBondContact O-OG1 3.15Å; T91-T94 VanDerWaalsContact O-OG1 3.06Å; T91-I98 HydrophobicContact CG2-CD1 3.65Å; T91-I98 HydrophobicContact CG2-CG1 3.94Å; T91-I98 PolarHBondContact OG1-N 3.49Å; T91-I98 VanDerWaalsContact OG1-N 3.09Å; T91-V154 HydrophobicContact CG2-CG2 4.44Å |
| 92 | C | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -55 | -22.1 | 168.9 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | W89 L90 V101 L105 S109 K159 | W89-C92 WeakPolarHBondContact O-CB 3.29Å; W89-C92 PolarHBondContact O-N 3.4Å; W89-C92 VanDerWaalsContact O-N 3.1Å; W89-C92 PolarHBondContact O-SG 3.44Å; L90-C92 PolarHBondContact O-N 2.98Å; L90-C92 VanDerWaalsContact O-N 3.14Å; C92-V101 HydrophobicContact CB-CG1 4.14Å; C92-L105 HydrophobicContact CB-CB 4.08Å; C92-S109 PolarHBondContact O-OG 3.34Å; C92-K159 PolarHBondContact O-NZ 3.47Å |
| 93 | L | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -71.9 | -23.3 | 175.8 | -68 | 176.4 | 0 | 0 | 0 | 114.3 | L90 T91 V154 T158 K159 L162 V166 M170 | L90-L93 HydrophobicContact CD1-CD1 4.06Å; L90-L93 HydrophobicContact CG-CD1 4.27Å; L90-L93 PolarHBondContact O-N 3.4Å; T91-L93 PolarHBondContact O-N 3.47Å; L93-V154 HydrophobicContact CB-CG1 3.8Å; L93-V154 HydrophobicContact CD1-CG1 3.95Å; L93-T158 WeakPolarHBondContact O-CA 3.2Å; L93-K159 WeakPolarHBondContact O-CG 3.32Å; L93-K159 PolarHBondContact O-N 3.03Å; L93-L162 HydrophobicContact CD2-CD1 4.07Å; L93-V166 HydrophobicContact CD1-CG1 3.55Å; L93-V166 HydrophobicContact CD2-CB 4.27Å; L93-V166 HydrophobicContact CD2-CG1 3.71Å; L93-V166 HydrophobicContact CD2-CG2 3.65Å; L93-V166 HydrophobicContact CG-CG1 4.24Å; L93-M170 HydrophobicContact CD1-CE 3.71Å |
| 94 | T | 91.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 161.1 | -175.4 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | T91 K96 V154 D157 K159 | T91-T94 PolarHBondContact O-N 3.47Å; T91-T94 PolarHBondContact O-OG1 3.15Å; T91-T94 VanDerWaalsContact O-OG1 3.06Å; T94-K96 PolarHBondContact O-N 2.92Å; T94-K96 VanDerWaalsContact O-N 3.13Å; T94-K96 VanDerWaalsContact OG1-C 3.25Å; T94-K96 PolarHBondContact OG1-N 3.44Å; T94-K96 PolarHBondContact OG1-O 3.03Å; T94-K96 VanDerWaalsContact OG1-O 3.06Å; T94-V154 HydrophobicContact CG2-CB 4.36Å; T94-V154 HydrophobicContact CG2-CG1 3.95Å; T94-V154 HydrophobicContact CG2-CG2 4.27Å; T94-D157 VanDerWaalsContact CA-O 3.27Å; T94-D157 WeakPolarHBondContact CA-O 3.41Å; T94-D157 HydrophobicContact CG2-CB 3.94Å; T94-K159 WeakPolarHBondContact O-CE 3.39Å |
| 95 | G | 84.8 | Confident | 90.3 | Very high | 60 Ų | 60 | 28.4 Ų | 28.4 | 62% | 0.619 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -60.6 | -17.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D157 | G95-D157 PolarHBondContact N-O 3.13Š|
| 96 | K | 84.3 | Confident | 90 | Very high | 104 Ų | 104 | 30.5 Ų | 30.5 | 45% | 0.452 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -138.4 | 85.6 | -179.7 | -66.9 | -177 | -179.6 | 178.9 | 0 | 110 | T94 T375 E377 | T94-K96 PolarHBondContact O-N 2.92Å; T94-K96 VanDerWaalsContact O-N 3.13Å; T94-K96 VanDerWaalsContact OG1-C 3.25Å; T94-K96 PolarHBondContact OG1-N 3.44Å; T94-K96 PolarHBondContact OG1-O 3.03Å; T94-K96 VanDerWaalsContact OG1-O 3.06Å; K96-T375 VanDerWaalsContact CE-O 3.31Å; K96-T375 WeakPolarHBondContact CE-O 3.27Å; K96-T375 PolarHBondContact NZ-O 3.25Å; K96-E377 HydrophobicContact CD-CG 4.26Å |
| 97 | P | 85.2 | Confident | 89.7 | Confident | 51 Ų | 51 | 37.6 Ų | 37.6 | 33% | 0.331 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 152.2 | 176.2 | 26.6 | -33.2 | 0 | 0 | 0 | 111.4 | V101 | P97-V101 HydrophobicContact CB-CB 4.5Å; P97-V101 HydrophobicContact CB-CG2 4.46Å |
| 98 | I | 87.6 | Confident | 89.6 | Confident | 69 Ų | 69 | 43 Ų | 43 | 35% | 0.354 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -62.2 | 147.8 | 176.9 | -63.1 | 173 | 0 | 0 | 0 | 110.1 | D88 T91 V101 | D88-I98 HydrophobicContact CB-CD1 4.28Å; T91-I98 HydrophobicContact CG2-CD1 3.65Å; T91-I98 HydrophobicContact CG2-CG1 3.94Å; T91-I98 PolarHBondContact OG1-N 3.49Å; T91-I98 VanDerWaalsContact OG1-N 3.09Å; I98-V101 VanDerWaalsContact O-CG2 3.27Å; I98-V101 WeakPolarHBondContact O-CG2 3.36Å; I98-V101 PolarHBondContact O-N 2.95Å |
| 99 | A | 83.7 | Confident | 89.5 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 137.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 100 | G | 83.3 | Confident | 89.2 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 12% | 0.124 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -8.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P102 | G100-P102 WeakPolarHBondContact O-CD 3.46Š|
| 101 | V | 90.2 | Very high | 89 | Confident | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | trans | -64.7 | 125.2 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | C92 P97 I98 L105 | C92-V101 HydrophobicContact CB-CG1 4.14Å; P97-V101 HydrophobicContact CB-CB 4.5Å; P97-V101 HydrophobicContact CB-CG2 4.46Å; I98-V101 VanDerWaalsContact O-CG2 3.27Å; I98-V101 WeakPolarHBondContact O-CG2 3.36Å; I98-V101 PolarHBondContact O-N 2.95Å; V101-L105 HydrophobicContact CG1-CB 4.09Å; V101-L105 HydrophobicContact CG1-CD2 4.36Å | ||
| 102 | P | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | trans | -60.3 | 141.3 | -178.5 | -19.7 | 27.3 | 0 | 0 | 0 | 112.9 | L51 V57 W89 G100 P104 L105 | L51-P102 HydrophobicContact CB-CB 4.01Å; L51-P102 HydrophobicContact CB-CG 4.14Å; L51-P102 HydrophobicContact CD1-CG 3.83Å; V57-P102 HydrophobicContact CG2-CB 4.02Å; V57-P102 HydrophobicContact CG2-CG 4.5Å; W89-P102 HydrophobicContact CH2-CG 4.46Å; W89-P102 HydrophobicContact CZ2-CG 3.82Å; G100-P102 WeakPolarHBondContact O-CD 3.46Å; P102-P104 VanDerWaalsContact C-CD 3.43Å; P102-P104 VanDerWaalsContact C-N 3.35Å; P102-L105 HydrophobicContact CB-CD1 3.65Å; P102-L105 HydrophobicContact CG-CD1 3.74Å; P102-L105 WeakPolarHBondContact O-CB 3.46Å; P102-L105 PolarHBondContact O-N 2.94Å; P102-L105 VanDerWaalsContact O-N 3.1Å | ||
| 103 | K | 86.8 | Confident | 88.8 | Confident | 155 Ų | 155 | 48.7 Ų | 48.7 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -55.3 | -39.9 | -179.4 | -68.4 | 180 | -177.9 | 173.2 | 0 | 113.8 | L105 S106 Q107 | K103-L105 VanDerWaalsContact C-N 3.25Å; K103-L105 PolarHBondContact O-N 2.7Å; K103-S106 PolarHBondContact O-N 3.02Å; K103-Q107 WeakPolarHBondContact O-CG 3.5Å; K103-Q107 PolarHBondContact O-N 3.22Å |
| 104 | P | 91.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -34.9 | 177.7 | -25.4 | 34.9 | 0 | 0 | 0 | 113.5 | V57 P102 S106 Q107 R108 Y112 | V57-P104 HydrophobicContact CG2-CB 4.04Å; V57-P104 HydrophobicContact CG2-CG 3.95Å; P102-P104 VanDerWaalsContact C-CD 3.43Å; P102-P104 VanDerWaalsContact C-N 3.35Å; P104-S106 VanDerWaalsContact C-N 3.34Å; P104-S106 PolarHBondContact O-N 3.38Å; P104-Q107 PolarHBondContact O-N 3.44Å; P104-R108 PolarHBondContact O-N 3.22Å; P104-Y112 HydrophobicContact CB-CE2 4.41Å |
| 105 | L | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 175.2 | -76.1 | 80.9 | 0 | 0 | 0 | 111.8 | V57 W89 C92 V101 P102 K103 Q107 R108 S109 Y112 I116 | V57-L105 HydrophobicContact CB-CD1 4.33Å; V57-L105 HydrophobicContact CG1-CD1 3.44Å; V57-L105 VanDerWaalsContact CG1-CD1 3.44Å; V57-L105 HydrophobicContact CG1-CG 4.36Å; V57-L105 HydrophobicContact CG2-CD1 3.89Å; W89-L105 HydrophobicContact CB-CD2 3.53Å; W89-L105 HydrophobicContact CD2-CD2 3.71Å; W89-L105 HydrophobicContact CE3-CD1 4.5Å; W89-L105 HydrophobicContact CE3-CD2 3.72Å; W89-L105 HydrophobicContact CG-CD2 3.66Å; C92-L105 HydrophobicContact CB-CB 4.08Å; V101-L105 HydrophobicContact CG1-CB 4.09Å; V101-L105 HydrophobicContact CG1-CD2 4.36Å; P102-L105 HydrophobicContact CB-CD1 3.65Å; P102-L105 HydrophobicContact CG-CD1 3.74Å; P102-L105 WeakPolarHBondContact O-CB 3.46Å; P102-L105 PolarHBondContact O-N 2.94Å; P102-L105 VanDerWaalsContact O-N 3.1Å; K103-L105 VanDerWaalsContact C-N 3.25Å; K103-L105 PolarHBondContact O-N 2.7Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-R108 CarbonylContact O-C 3.57Å; L105-S109 WeakPolarHBondContact O-CA 3.28Å; L105-S109 WeakPolarHBondContact O-CB 3.42Å; L105-S109 PolarHBondContact O-N 3.38Å; L105-S109 VanDerWaalsContact O-N 3.1Å; L105-S109 PolarHBondContact O-OG 3.4Å; L105-Y112 HydrophobicContact CG-CD2 4.33Å; L105-Y112 HydrophobicContact CG-CG 4.14Å; L105-I116 HydrophobicContact CD2-CD1 4.06Å |
| 106 | S | 88.1 | Confident | 88.9 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.2 | -26.1 | 177.7 | -65 | 0 | 0 | 0 | 0 | 113.2 | K103 P104 S109 | K103-S106 PolarHBondContact O-N 3.02Å; P104-S106 VanDerWaalsContact C-N 3.34Å; P104-S106 PolarHBondContact O-N 3.38Å; S106-S109 WeakPolarHBondContact CA-OG 3.38Å; S106-S109 PolarHBondContact O-OG 3.33Å; S106-S109 VanDerWaalsContact O-OG 3.1Å |
| 107 | Q | 88.5 | Confident | 89.2 | Confident | 149 Ų | 149 | 44.9 Ų | 44.9 | 70% | 0.696 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -80.4 | -35.7 | 177.6 | -70.7 | 174.6 | -8.1 | 0 | 0 | 112.4 | K103 P104 L105 | K103-Q107 WeakPolarHBondContact O-CG 3.5Å; K103-Q107 PolarHBondContact O-N 3.22Å; P104-Q107 PolarHBondContact O-N 3.44Å; L105-Q107 VanDerWaalsContact C-N 3.34Å |
| 108 | R | 90.8 | Very high | 89.3 | Confident | 116 Ų | 116 | 44.8 Ų | 44.8 | 44% | 0.438 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -121.6 | 49.9 | -179.7 | -61.8 | -177.2 | 67.2 | 165 | 2.7 | 111.4 | P104 L105 H110 F111 Y112 | P104-R108 PolarHBondContact O-N 3.22Å; L105-R108 CarbonylContact O-C 3.57Å; R108-H110 VanDerWaalsContact C-N 3.33Å; R108-H110 PolarHBondContact O-N 3.47Å; R108-F111 HydrophobicContact CB-CB 4.36Å; R108-F111 PolarHBondContact O-N 2.87Å; R108-F111 VanDerWaalsContact O-N 3.13Å; R108-Y112 HydrophobicContact CB-CD2 3.99Å; R108-Y112 HydrophobicContact CB-CE2 4.05Å; R108-Y112 PolarHBondContact O-N 3.05Å |
| 109 | S | 91.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.5 | -41.6 | -169.1 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | C92 L105 S106 S113 | C92-S109 PolarHBondContact O-OG 3.34Å; L105-S109 WeakPolarHBondContact O-CA 3.28Å; L105-S109 WeakPolarHBondContact O-CB 3.42Å; L105-S109 PolarHBondContact O-N 3.38Å; L105-S109 VanDerWaalsContact O-N 3.1Å; L105-S109 PolarHBondContact O-OG 3.4Å; S106-S109 WeakPolarHBondContact CA-OG 3.38Å; S106-S109 PolarHBondContact O-OG 3.33Å; S106-S109 VanDerWaalsContact O-OG 3.1Å; S109-S113 WeakPolarHBondContact O-CB 3.41Å; S109-S113 PolarHBondContact O-N 3.29Å; S109-S113 PolarHBondContact O-OG 3.3Å |
| 110 | H | 89.6 | Confident | 89.6 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 34% | 0.338 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.6 | -49.9 | 175.7 | 174.5 | -121.4 | 0 | 0 | 0 | 112.7 | R108 Y112 S113 T114 L162 V166 | R108-H110 VanDerWaalsContact C-N 3.33Å; R108-H110 PolarHBondContact O-N 3.47Å; H110-Y112 PolarHBondContact O-N 2.96Å; H110-S113 WeakPolarHBondContact CA-OG 3.38Å; H110-S113 PolarHBondContact O-N 2.91Å; H110-S113 PolarHBondContact O-OG 3.5Å; H110-T114 PolarHBondContact O-N 3.39Å; H110-T114 PolarHBondContact O-OG1 3.27Å; H110-L162 HydrophobicContact CB-CD2 4.42Å; H110-V166 HydrophobicContact CB-CG2 4.28Å |
| 111 | F | 89.9 | Confident | 89.8 | Confident | 81 Ų | 81 | 37.8 Ų | 37.8 | 36% | 0.355 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.8 | -49.5 | -177.6 | 174.6 | -96.4 | 0 | 0 | 0 | 111.8 | R108 E115 | R108-F111 HydrophobicContact CB-CB 4.36Å; R108-F111 PolarHBondContact O-N 2.87Å; R108-F111 VanDerWaalsContact O-N 3.13Å; F111-E115 PolarHBondContact O-N 3.35Å |
| 112 | Y | 91.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75 | -32 | -177.9 | -72.8 | -68.2 | 0 | 0 | 0 | 113 | D54 V57 K58 P104 L105 R108 H110 T114 E115 I116 | D54-Y112 PolarHBondContact O-OH 2.98Å; D54-Y112 VanDerWaalsContact OD1-CE2 3.3Å; D54-Y112 WeakPolarHBondContact OD1-CE2 2.85Å; D54-Y112 PolarHBondContact OD1-OH 3.4Å; V57-Y112 HydrophobicContact CB-CE1 4.39Å; V57-Y112 HydrophobicContact CG1-CD1 3.99Å; V57-Y112 HydrophobicContact CG1-CE1 3.53Å; K58-Y112 HydrophobicContact CG-CE1 4.23Å; P104-Y112 HydrophobicContact CB-CE2 4.41Å; L105-Y112 HydrophobicContact CG-CD2 4.33Å; L105-Y112 HydrophobicContact CG-CG 4.14Å; R108-Y112 HydrophobicContact CB-CD2 3.99Å; R108-Y112 HydrophobicContact CB-CE2 4.05Å; R108-Y112 PolarHBondContact O-N 3.05Å; H110-Y112 PolarHBondContact O-N 2.96Å; Y112-T114 VanDerWaalsContact C-N 3.32Å; Y112-T114 PolarHBondContact O-N 3.31Å; Y112-E115 PolarHBondContact O-N 3.07Å; Y112-I116 WeakPolarHBondContact O-CB 3.29Å; Y112-I116 WeakPolarHBondContact O-CD1 3.38Å; Y112-I116 WeakPolarHBondContact O-CG1 3.48Å; Y112-I116 PolarHBondContact O-N 3.43Å |
| 113 | S | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 112 | S109 H110 E115 I116 L117 | S109-S113 WeakPolarHBondContact O-CB 3.41Å; S109-S113 PolarHBondContact O-N 3.29Å; S109-S113 PolarHBondContact O-OG 3.3Å; H110-S113 WeakPolarHBondContact CA-OG 3.38Å; H110-S113 PolarHBondContact O-N 2.91Å; H110-S113 PolarHBondContact O-OG 3.5Å; S113-E115 VanDerWaalsContact C-N 3.35Å; S113-I116 PolarHBondContact O-N 3.13Å; S113-L117 WeakPolarHBondContact O-CB 3.21Å; S113-L117 VanDerWaalsContact O-CG 3.26Å; S113-L117 WeakPolarHBondContact O-CG 3.09Å; S113-L117 PolarHBondContact O-N 3.01Å |
| 114 | T | 89.4 | Confident | 88.9 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.8 | -53 | 0 | 0 | 0 | 0 | 110.9 | H110 Y112 L117 N118 E169 | H110-T114 PolarHBondContact O-N 3.39Å; H110-T114 PolarHBondContact O-OG1 3.27Å; Y112-T114 VanDerWaalsContact C-N 3.32Å; Y112-T114 PolarHBondContact O-N 3.31Å; T114-L117 PolarHBondContact O-N 2.66Å; T114-N118 VanDerWaalsContact O-CG 3.32Å; T114-N118 PolarHBondContact O-N 2.82Å; T114-N118 PolarHBondContact O-ND2 2.98Å; T114-E169 HydrophobicContact CG2-CG 4.2Å; T114-E169 WeakPolarHBondContact CG2-OE2 3.48Å |
| 115 | E | 88.2 | Confident | 88.1 | Confident | 71 Ų | 71 | 34 Ų | 34 | 33% | 0.332 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.1 | -164.2 | 64.1 | -161.4 | 0 | 0 | 112.1 | M61 F111 Y112 S113 L117 N118 Q119 | M61-E115 HydrophobicContact CE-CB 3.95Å; M61-E115 HydrophobicContact CE-CG 3.71Å; F111-E115 PolarHBondContact O-N 3.35Å; Y112-E115 PolarHBondContact O-N 3.07Å; S113-E115 VanDerWaalsContact C-N 3.35Å; E115-L117 PolarHBondContact O-N 2.88Å; E115-N118 PolarHBondContact O-N 3.47Å; E115-Q119 VanDerWaalsContact O-CG 3.28Å; E115-Q119 WeakPolarHBondContact O-CG 3.24Å; E115-Q119 PolarHBondContact O-N 3.32Å |
| 116 | I | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.2 | -69.6 | 165.2 | 0 | 0 | 0 | 110.9 | M61 C86 W89 L90 L105 Y112 S113 Q119 L120 | M61-I116 HydrophobicContact CE-CB 4.29Å; M61-I116 HydrophobicContact CE-CG1 3.42Å; M61-I116 VanDerWaalsContact CE-CG1 3.42Å; M61-I116 HydrophobicContact SD-CG1 4Å; C86-I116 HydrophobicContact CB-CG2 3.9Å; C86-I116 WeakPolarHBondContact O-CG2 3.35Å; W89-I116 HydrophobicContact CB-CD1 3.78Å; L90-I116 HydrophobicContact CB-CG2 4.43Å; L90-I116 HydrophobicContact CD1-CB 4.37Å; L90-I116 HydrophobicContact CD1-CG2 4.09Å; L105-I116 HydrophobicContact CD2-CD1 4.06Å; Y112-I116 WeakPolarHBondContact O-CB 3.29Å; Y112-I116 WeakPolarHBondContact O-CD1 3.38Å; Y112-I116 WeakPolarHBondContact O-CG1 3.48Å; Y112-I116 PolarHBondContact O-N 3.43Å; S113-I116 PolarHBondContact O-N 3.13Å; I116-Q119 PolarHBondContact O-N 3.1Å; I116-L120 HydrophobicContact CG2-CD1 3.87Å; I116-L120 HydrophobicContact CG2-CG 4.35Å; I116-L120 WeakPolarHBondContact O-CB 3.48Å; I116-L120 WeakPolarHBondContact O-CG 3.42Å; I116-L120 PolarHBondContact O-N 3.37Å |
| 117 | L | 91.1 | Very high | 85.7 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 178.5 | -71.6 | 169.5 | 0 | 0 | 0 | 111.4 | L90 S113 T114 E115 Q119 L120 G121 I151 M170 F173 | L90-L117 HydrophobicContact CD1-CD2 4.32Å; L90-L117 HydrophobicContact CD1-CG 4.15Å; L90-L117 HydrophobicContact CD2-CD2 4.13Å; S113-L117 WeakPolarHBondContact O-CB 3.21Å; S113-L117 VanDerWaalsContact O-CG 3.26Å; S113-L117 WeakPolarHBondContact O-CG 3.09Å; S113-L117 PolarHBondContact O-N 3.01Å; T114-L117 PolarHBondContact O-N 2.66Å; E115-L117 PolarHBondContact O-N 2.88Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 3.33Å; L117-L120 PolarHBondContact O-N 2.86Å; L117-G121 PolarHBondContact O-N 3.41Å; L117-I151 HydrophobicContact CD2-CD1 4.07Å; L117-I151 HydrophobicContact CD2-CG1 4.38Å; L117-M170 HydrophobicContact CD1-CG 3.8Å; L117-F173 HydrophobicContact CB-CB 4.34Å; L117-F173 HydrophobicContact CB-CD2 3.97Å; L117-F173 HydrophobicContact CB-CG 4.21Å; L117-F173 HydrophobicContact CD2-CD1 4.12Å; L117-F173 HydrophobicContact CD2-CD2 4.33Å; L117-F173 HydrophobicContact CD2-CE1 4.46Å; L117-F173 HydrophobicContact CD2-CG 4.06Å; L117-F173 WeakPolarHBondContact O-CD2 3.49Å; L117-F173 WeakPolarHBondContact O-CE2 3.42Å |
| 118 | N | 86.8 | Confident | 84.5 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.5 | -73.9 | -21.9 | 0 | 0 | 0 | 112.1 | T114 E115 G121 | T114-N118 VanDerWaalsContact O-CG 3.32Å; T114-N118 PolarHBondContact O-N 2.82Å; T114-N118 PolarHBondContact O-ND2 2.98Å; E115-N118 PolarHBondContact O-N 3.47Å; N118-G121 PolarHBondContact O-N 3.16Å |
| 119 | Q | 87.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -44.9 | 177.3 | -69.6 | 178.8 | 3.6 | 0 | 0 | 112.5 | M61 L68 E115 I116 L117 G121 S122 | M61-Q119 VanDerWaalsContact CE-OE1 3.26Å; M61-Q119 PolarHBondContact O-NE2 3.28Å; L68-Q119 HydrophobicContact CD1-CB 4.09Å; E115-Q119 VanDerWaalsContact O-CG 3.28Å; E115-Q119 WeakPolarHBondContact O-CG 3.24Å; E115-Q119 PolarHBondContact O-N 3.32Å; I116-Q119 PolarHBondContact O-N 3.1Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-Q119 PolarHBondContact O-N 3.33Å; Q119-G121 PolarHBondContact O-N 3.33Å; Q119-S122 WeakPolarHBondContact O-CB 3.5Å; Q119-S122 PolarHBondContact O-N 3.09Å |
| 120 | L | 91.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -25.8 | 175.9 | -73.2 | 174 | 0 | 0 | 0 | 112.3 | V83 C86 I116 L117 S122 L123 V147 F173 | V83-L120 HydrophobicContact CG1-CD2 4.48Å; C86-L120 HydrophobicContact CB-CD1 4.15Å; C86-L120 HydrophobicContact CB-CD2 3.69Å; C86-L120 HydrophobicContact CB-CG 3.98Å; I116-L120 HydrophobicContact CG2-CD1 3.87Å; I116-L120 HydrophobicContact CG2-CG 4.35Å; I116-L120 WeakPolarHBondContact O-CB 3.48Å; I116-L120 WeakPolarHBondContact O-CG 3.42Å; I116-L120 PolarHBondContact O-N 3.37Å; L117-L120 PolarHBondContact O-N 2.86Å; L120-S122 PolarHBondContact O-N 3.24Å; L120-L123 HydrophobicContact CD2-CD1 3.86Å; L120-L123 VanDerWaalsContact O-CB 3.29Å; L120-L123 WeakPolarHBondContact O-CB 3.48Å; L120-L123 WeakPolarHBondContact O-CG 3.44Å; L120-L123 PolarHBondContact O-N 2.98Å; L120-L123 VanDerWaalsContact O-N 3.08Å; L120-V147 HydrophobicContact CB-CG1 4.43Å; L120-V147 HydrophobicContact CD1-CG1 4.07Å; L120-V147 HydrophobicContact CD1-CG2 4.35Å; L120-V147 HydrophobicContact CD2-CG2 3.87Å; L120-F173 HydrophobicContact CB-CE2 4.32Å; L120-F173 HydrophobicContact CB-CZ 4.46Å |
| 121 | G | 86.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61 | -27.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L117 N118 Q119 L123 F124 A125 | L117-G121 PolarHBondContact O-N 3.41Å; N118-G121 PolarHBondContact O-N 3.16Å; Q119-G121 PolarHBondContact O-N 3.33Å; G121-L123 PolarHBondContact O-N 2.93Å; G121-L123 VanDerWaalsContact O-N 3.16Å; G121-F124 PolarHBondContact O-N 3.02Å; G121-A125 PolarHBondContact O-N 3.16Å |
| 122 | S | 79.6 | Confident | 79.3 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.5 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 113.2 | L15 Q119 L120 F124 R140 | L15-S122 PolarHBondContact O-OG 3.38Å; Q119-S122 WeakPolarHBondContact O-CB 3.5Å; Q119-S122 PolarHBondContact O-N 3.09Å; L120-S122 PolarHBondContact O-N 3.24Å; S122-F124 PolarHBondContact O-N 3.36Å; S122-R140 PolarHBondContact O-NH2 2.69Å |
| 123 | L | 86 | Confident | 78.4 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -25.3 | 173.6 | -63.8 | 163.7 | 0 | 0 | 0 | 112.5 | L68 I79 V83 L120 G121 R140 V147 | L68-L123 HydrophobicContact CD2-CD1 4.39Å; L68-L123 HydrophobicContact CD2-CD2 4.13Å; L68-L123 HydrophobicContact CD2-CG 4.38Å; I79-L123 HydrophobicContact CG2-CD2 4.07Å; V83-L123 HydrophobicContact CG1-CD1 4.42Å; V83-L123 HydrophobicContact CG2-CD1 3.53Å; V83-L123 HydrophobicContact CG2-CD2 3.98Å; V83-L123 HydrophobicContact CG2-CG 4.37Å; L120-L123 HydrophobicContact CD2-CD1 3.86Å; L120-L123 VanDerWaalsContact O-CB 3.29Å; L120-L123 WeakPolarHBondContact O-CB 3.48Å; L120-L123 WeakPolarHBondContact O-CG 3.44Å; L120-L123 PolarHBondContact O-N 2.98Å; L120-L123 VanDerWaalsContact O-N 3.08Å; G121-L123 PolarHBondContact O-N 2.93Å; G121-L123 VanDerWaalsContact O-N 3.16Å; L123-R140 VanDerWaalsContact C-NH2 3.31Å; L123-R140 VanDerWaalsContact O-CZ 3.25Å; L123-R140 PolarHBondContact O-NE 3.36Å; L123-R140 PolarHBondContact O-NH2 3.19Å; L123-V147 HydrophobicContact CD1-CG2 3.96Å |
| 124 | F | 85.3 | Confident | 77.6 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -18.9 | -177.2 | -61.3 | -88.5 | 0 | 0 | 0 | 113 | G121 S122 F126 C144 V147 L148 F173 V177 N180 L181 | G121-F124 PolarHBondContact O-N 3.02Å; S122-F124 PolarHBondContact O-N 3.36Å; F124-F126 VanDerWaalsContact C-N 3.28Å; F124-F126 PolarHBondContact O-N 2.96Å; F124-C144 HydrophobicContact CD1-CB 4.33Å; F124-C144 HydrophobicContact CE1-CB 3.62Å; F124-C144 HydrophobicContact CZ-CB 3.96Å; F124-V147 HydrophobicContact CE2-CB 4.46Å; F124-V147 HydrophobicContact CE2-CG1 4.19Å; F124-V147 HydrophobicContact CZ-CB 4.31Å; F124-V147 HydrophobicContact CZ-CG1 4.32Å; F124-L148 HydrophobicContact CE1-CG 4.45Å; F124-L148 HydrophobicContact CZ-CD2 4.45Å; F124-L148 HydrophobicContact CZ-CG 4.3Å; F124-F173 HydrophobicContact CD2-CZ 4.26Å; F124-F173 AromaticContact CE2-CZ 3.83Å; F124-F173 HydrophobicContact CE2-CZ 3.83Å; F124-V177 HydrophobicContact CB-CG2 4.4Å; F124-V177 HydrophobicContact CD1-CB 4.33Å; F124-V177 HydrophobicContact CD1-CG1 3.52Å; F124-V177 HydrophobicContact CD1-CG2 4.09Å; F124-V177 HydrophobicContact CD2-CG2 3.71Å; F124-V177 HydrophobicContact CE1-CG1 3.61Å; F124-V177 HydrophobicContact CE1-CG2 4.25Å; F124-V177 HydrophobicContact CE2-CG2 3.93Å; F124-V177 HydrophobicContact CG-CB 4.38Å; F124-V177 HydrophobicContact CG-CG1 4.05Å; F124-V177 HydrophobicContact CG-CG2 3.79Å; F124-V177 HydrophobicContact CZ-CG1 4.25Å; F124-V177 HydrophobicContact CZ-CG2 4.18Å; F124-N180 HydrophobicContact CB-CB 4.45Å; F124-N180 WeakPolarHBondContact O-CB 3.49Å; F124-L181 HydrophobicContact CD1-CD1 3.9Å; F124-L181 HydrophobicContact CD1-CD2 4.33Å; F124-L181 HydrophobicContact CD1-CG 4.08Å; F124-L181 HydrophobicContact CE1-CD1 4.2Å |
| 125 | A | 73.9 | Confident | 77.1 | Confident | 59 Ų | 59 | 55 Ų | 55 | 49% | 0.488 | 31% | 0.314 | S | S | . | . | trans | -81.3 | 54.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G121 | G121-A125 PolarHBondContact O-N 3.16Š| ||
| 126 | F | 67.1 | Low | 76.7 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | trans | -111.6 | 133.7 | -178 | -167.8 | -109.1 | 0 | 0 | 0 | 113 | F124 I132 R140 | F124-F126 VanDerWaalsContact C-N 3.28Å; F124-F126 PolarHBondContact O-N 2.96Å; F126-I132 HydrophobicContact CE1-CD1 3.49Å; F126-I132 VanDerWaalsContact CE1-CD1 3.49Å; F126-I132 HydrophobicContact CZ-CD1 3.66Å; F126-R140 VanDerWaalsContact CB-CZ 3.46Å | ||
| 127 | Q | 62.6 | Low | 76 | Confident | 141 Ų | 141 | 53.1 Ų | 53.1 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | trans | -84.5 | 117.9 | 172.5 | -73.5 | -179.4 | -19.6 | 0 | 0 | 110.2 | V129 | Q127-V129 PolarHBondContact O-N 3.45Š| ||
| 128 | W | 61.7 | Low | 75.6 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 20% | 0.197 | 32% | 0.323 | C | S | . | . | trans | -73.8 | 90.7 | 176.4 | -64.2 | 92.8 | 0 | 0 | 0 | 110.2 | I137 F186 I192 | W128-I137 HydrophobicContact CH2-CG2 3.89Å; W128-I137 HydrophobicContact CZ3-CB 4.25Å; W128-I137 HydrophobicContact CZ3-CD1 3.99Å; W128-I137 HydrophobicContact CZ3-CG1 3.82Å; W128-I137 HydrophobicContact CZ3-CG2 3.67Å; W128-F186 HydrophobicContact CB-CE1 4.47Å; W128-F186 AromaticContact CD1-CE1 3.47Å; W128-F186 VanDerWaalsContact CD1-CE1 3.47Å; W128-F186 AromaticContact CD2-CE1 3.87Å; W128-F186 HydrophobicContact CD2-CE1 3.87Å; W128-F186 AromaticContact CE2-CE1 3.75Å; W128-F186 HydrophobicContact CG-CD1 4.42Å; W128-F186 AromaticContact CG-CE1 3.7Å; W128-F186 HydrophobicContact CG-CE1 3.7Å; W128-F186 HydrophobicContact CZ2-CE1 4.49Å; W128-F186 AromaticContact NE1-CE1 3.49Å; W128-F186 AromaticContact NE1-CZ 3.84Å; W128-I192 HydrophobicContact CD2-CD1 4.32Å; W128-I192 HydrophobicContact CE3-CD1 3.77Å; W128-I192 HydrophobicContact CH2-CD1 3.45Å; W128-I192 VanDerWaalsContact CH2-CD1 3.45Å; W128-I192 HydrophobicContact CH2-CG1 3.61Å; W128-I192 HydrophobicContact CZ2-CD1 4.03Å; W128-I192 HydrophobicContact CZ2-CG1 4.16Å; W128-I192 HydrophobicContact CZ2-CG2 4.35Å; W128-I192 HydrophobicContact CZ3-CD1 3.3Å; W128-I192 HydrophobicContact CZ3-CG1 3.97Å | ||
| 129 | V | 61.8 | Low | 75.6 | Confident | 89 Ų | 89 | 58.9 Ų | 58.9 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | trans | -86.1 | 130.5 | 175.1 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | Q127 G131 I132 | Q127-V129 PolarHBondContact O-N 3.45Å; V129-G131 PolarHBondContact O-N 3.27Å; V129-I132 HydrophobicContact CB-CD1 4.33Å; V129-I132 WeakPolarHBondContact O-CD1 3.43Å; V129-I132 WeakPolarHBondContact O-CG1 3.46Å | ||
| 130 | P | 58.1 | Low | 75.5 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 83% | 0.831 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131.6 | 173.1 | -22.6 | 31.8 | 0 | 0 | 0 | 111.4 | ||
| 131 | G | 64.8 | Low | 75.3 | Confident | 85 Ų | 85 | 61 Ų | 61 | 88% | 0.876 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.4 | 6.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V129 | V129-G131 PolarHBondContact O-N 3.27Š|
| 132 | I | 67.9 | Low | 75.5 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | trans | -72.1 | 138.1 | 171.9 | -64.2 | 167.5 | 0 | 0 | 0 | 109.9 | F126 V129 I134 T136 I137 | F126-I132 HydrophobicContact CE1-CD1 3.49Å; F126-I132 VanDerWaalsContact CE1-CD1 3.49Å; F126-I132 HydrophobicContact CZ-CD1 3.66Å; V129-I132 HydrophobicContact CB-CD1 4.33Å; V129-I132 WeakPolarHBondContact O-CD1 3.43Å; V129-I132 WeakPolarHBondContact O-CG1 3.46Å; I132-I134 PolarHBondContact O-N 2.95Å; I132-T136 HydrophobicContact CG2-CG2 3.96Å; I132-I137 HydrophobicContact CG2-CG1 4.06Å | ||
| 133 | E | 73.9 | Confident | 76.1 | Confident | 135 Ų | 135 | 66 Ų | 66 | 63% | 0.631 | 35% | 0.351 | S | S | * | . | trans | -60.4 | 131.6 | 176.4 | -66.6 | 178.8 | 171.7 | 0 | 0 | 111.7 | D135 T136 I137 | E133-D135 PolarHBondContact O-N 2.92Å; E133-D135 VanDerWaalsContact O-N 3.11Å; E133-T136 WeakPolarHBondContact O-CA 3.22Å; E133-T136 VanDerWaalsContact O-CB 3.24Å; E133-T136 WeakPolarHBondContact O-CB 2.86Å; E133-T136 PolarHBondContact O-N 2.85Å; E133-I137 PolarHBondContact O-N 2.98Å | ||
| 134 | I | 74 | Confident | 76.3 | Confident | 97 Ų | 97 | 65.9 Ų | 65.9 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -51.7 | -37.8 | -179.9 | -63.8 | 168.5 | 0 | 0 | 0 | 112 | I132 T136 I137 K138 | I132-I134 PolarHBondContact O-N 2.95Å; I134-T136 VanDerWaalsContact C-N 3.27Å; I134-T136 PolarHBondContact O-N 3.5Å; I134-I137 WeakPolarHBondContact O-CB 3.45Å; I134-I137 PolarHBondContact O-N 3.41Å; I134-K138 HydrophobicContact CG2-CD 4.18Å; I134-K138 PolarHBondContact O-N 2.83Å |
| 135 | D | 77.9 | Confident | 76.7 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.4 | -30.5 | 178.4 | -83.1 | -8.5 | 0 | 0 | 0 | 113.3 | E133 R139 | E133-D135 PolarHBondContact O-N 2.92Å; E133-D135 VanDerWaalsContact O-N 3.11Å; D135-R139 WeakPolarHBondContact O-CB 3.47Å; D135-R139 VanDerWaalsContact O-CG 3.25Å; D135-R139 WeakPolarHBondContact O-CG 3.18Å; D135-R139 PolarHBondContact O-N 3.46Å; D135-R139 VanDerWaalsContact O-N 3.15Å |
| 136 | T | 79.8 | Confident | 77.7 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 174.9 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | L72 N73 I132 E133 I134 R139 R140 | L72-T136 HydrophobicContact CD2-CG2 3.99Å; L72-T136 WeakPolarHBondContact CD2-O 3.49Å; N73-T136 WeakPolarHBondContact OD1-CG2 3.38Å; N73-T136 PolarHBondContact OD1-OG1 3.46Å; I132-T136 HydrophobicContact CG2-CG2 3.96Å; E133-T136 WeakPolarHBondContact O-CA 3.22Å; E133-T136 VanDerWaalsContact O-CB 3.24Å; E133-T136 WeakPolarHBondContact O-CB 2.86Å; E133-T136 PolarHBondContact O-N 2.85Å; I134-T136 VanDerWaalsContact C-N 3.27Å; I134-T136 PolarHBondContact O-N 3.5Å; T136-R139 PolarHBondContact O-N 3.45Å; T136-R140 PolarHBondContact O-N 3.49Å; T136-R140 VanDerWaalsContact O-N 3.08Å |
| 137 | I | 78.7 | Confident | 79 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -52.9 | 177.1 | -61.5 | 178.5 | 0 | 0 | 0 | 109.9 | W128 I132 E133 I134 R139 R140 V141 I192 | W128-I137 HydrophobicContact CH2-CG2 3.89Å; W128-I137 HydrophobicContact CZ3-CB 4.25Å; W128-I137 HydrophobicContact CZ3-CD1 3.99Å; W128-I137 HydrophobicContact CZ3-CG1 3.82Å; W128-I137 HydrophobicContact CZ3-CG2 3.67Å; I132-I137 HydrophobicContact CG2-CG1 4.06Å; E133-I137 PolarHBondContact O-N 2.98Å; I134-I137 WeakPolarHBondContact O-CB 3.45Å; I134-I137 PolarHBondContact O-N 3.41Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.34Å; I137-R140 PolarHBondContact O-N 2.95Å; I137-V141 HydrophobicContact CG2-CG2 4.21Å; I137-V141 WeakPolarHBondContact O-CG2 3.4Å; I137-V141 PolarHBondContact O-N 3.42Å; I137-I192 HydrophobicContact CG2-CD1 4.3Å; I137-I192 HydrophobicContact CG2-CG1 4.17Å |
| 138 | K | 82.8 | Confident | 80.5 | Confident | 82 Ų | 82 | 60 Ų | 60 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51.2 | -47.1 | 176.5 | -80.4 | 172.8 | 171.8 | 165.3 | 0 | 113.2 | I134 R142 E191 | I134-K138 HydrophobicContact CG2-CD 4.18Å; I134-K138 PolarHBondContact O-N 2.83Å; K138-R142 WeakPolarHBondContact O-CB 3.17Å; K138-R142 PolarHBondContact O-N 3.07Å; K138-R142 VanDerWaalsContact O-N 3.09Å; K138-E191 WeakPolarHBondContact CE-OE1 3.45Å; K138-E191 WeakPolarHBondContact CG-OE1 3.43Å; K138-E191 WeakPolarHBondContact CG-OE2 3.31Å; K138-E191 IonicContact NZ-OE1 2.72Å |
| 139 | R | 86.1 | Confident | 82.1 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 179.6 | -78.2 | 175 | -169.1 | -178.7 | 6.7 | 111.4 | L72 Y76 D135 T136 I137 E143 | L72-R139 HydrophobicContact CD2-CB 4.23Å; Y76-R139 HydrophobicContact CD2-CB 3.79Å; Y76-R139 HydrophobicContact CD2-CG 4.03Å; Y76-R139 HydrophobicContact CE1-CG 4.28Å; Y76-R139 HydrophobicContact CE2-CB 3.55Å; Y76-R139 HydrophobicContact CE2-CG 3.83Å; Y76-R139 HydrophobicContact CG-CG 4.39Å; D135-R139 WeakPolarHBondContact O-CB 3.47Å; D135-R139 VanDerWaalsContact O-CG 3.25Å; D135-R139 WeakPolarHBondContact O-CG 3.18Å; D135-R139 PolarHBondContact O-N 3.46Å; D135-R139 VanDerWaalsContact O-N 3.15Å; T136-R139 PolarHBondContact O-N 3.45Å; I137-R139 VanDerWaalsContact C-N 3.3Å; I137-R139 PolarHBondContact O-N 3.34Å; R139-E143 WeakPolarHBondContact O-CG 3.23Å; R139-E143 PolarHBondContact O-N 2.72Å |
| 140 | R | 85.9 | Confident | 83.7 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 15% | 0.151 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.6 | -47 | 179.1 | -161.2 | 165.6 | -173.8 | 131.6 | 2.7 | 112 | L72 S122 L123 F126 T136 I137 R142 E143 C144 | L72-R140 HydrophobicContact CD2-CB 3.62Å; L72-R140 HydrophobicContact CD2-CG 4.19Å; S122-R140 PolarHBondContact O-NH2 2.69Å; L123-R140 VanDerWaalsContact C-NH2 3.31Å; L123-R140 VanDerWaalsContact O-CZ 3.25Å; L123-R140 PolarHBondContact O-NE 3.36Å; L123-R140 PolarHBondContact O-NH2 3.19Å; F126-R140 VanDerWaalsContact CB-CZ 3.46Å; T136-R140 PolarHBondContact O-N 3.49Å; T136-R140 VanDerWaalsContact O-N 3.08Å; I137-R140 PolarHBondContact O-N 2.95Å; R140-R142 VanDerWaalsContact C-N 3.27Å; R140-R142 PolarHBondContact O-N 2.93Å; R140-E143 PolarHBondContact O-N 3.45Å; R140-E143 VanDerWaalsContact O-N 3.1Å; R140-C144 PolarHBondContact O-N 3.26Å; R140-C144 PolarHBondContact O-SG 3.35Å; R140-C144 VanDerWaalsContact O-SG 3.41Å |
| 141 | V | 87.5 | Confident | 85.4 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.9 | -48.6 | 177.3 | 168.6 | 0 | 0 | 0 | 0 | 110.2 | I137 E143 C144 E145 L195 | I137-V141 HydrophobicContact CG2-CG2 4.21Å; I137-V141 WeakPolarHBondContact O-CG2 3.4Å; I137-V141 PolarHBondContact O-N 3.42Å; V141-E143 VanDerWaalsContact C-N 3.34Å; V141-E143 PolarHBondContact O-N 2.74Å; V141-C144 WeakPolarHBondContact O-CB 3.38Å; V141-C144 PolarHBondContact O-N 2.69Å; V141-C144 VanDerWaalsContact O-N 3.16Å; V141-E145 HydrophobicContact CG1-CG 4.21Å; V141-E145 WeakPolarHBondContact O-CG 3.14Å; V141-E145 PolarHBondContact O-N 2.7Å; V141-L195 HydrophobicContact CG1-CB 4.17Å; V141-L195 HydrophobicContact CG1-CD2 4.49Å; V141-L195 HydrophobicContact CG2-CD2 4.17Å |
| 142 | R | 89.3 | Confident | 86.6 | Confident | 128 Ų | 128 | 55.6 Ų | 55.6 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.7 | -42.6 | 178.2 | -173.1 | -172.5 | -61.5 | 159.2 | -0.3 | 113.5 | K138 R140 R146 | K138-R142 WeakPolarHBondContact O-CB 3.17Å; K138-R142 PolarHBondContact O-N 3.07Å; K138-R142 VanDerWaalsContact O-N 3.09Å; R140-R142 VanDerWaalsContact C-N 3.27Å; R140-R142 PolarHBondContact O-N 2.93Å; R142-R146 WeakPolarHBondContact O-CB 3.12Å; R142-R146 PolarHBondContact O-N 3.28Å; R142-R146 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 91.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 178.6 | -61 | -50.6 | 145.9 | 0 | 0 | 111.7 | Y76 S80 V83 R139 R140 V141 R146 V147 | Y76-E143 HydrophobicContact CE2-CG 4.09Å; Y76-E143 PolarHBondContact OH-OE1 2.95Å; S80-E143 WeakPolarHBondContact CB-OE1 3.35Å; S80-E143 VanDerWaalsContact OG-CD 3.24Å; S80-E143 PolarHBondContact OG-OE1 3.18Å; S80-E143 PolarHBondContact OG-OE2 2.72Å; V83-E143 HydrophobicContact CG2-CB 4.38Å; R139-E143 WeakPolarHBondContact O-CG 3.23Å; R139-E143 PolarHBondContact O-N 2.72Å; R140-E143 PolarHBondContact O-N 3.45Å; R140-E143 VanDerWaalsContact O-N 3.1Å; V141-E143 VanDerWaalsContact C-N 3.34Å; V141-E143 PolarHBondContact O-N 2.74Å; E143-R146 WeakPolarHBondContact O-CB 3.24Å; E143-R146 PolarHBondContact O-N 3.28Å; E143-R146 IonicContact OE1-NH1 3.23Å; E143-R146 PolarHBondContact OE1-NH1 2.75Å; E143-R146 IonicContact OE2-CZ 3.8Å; E143-R146 IonicContact OE2-NE 3.56Å; E143-R146 IonicContact OE2-NH1 3.31Å; E143-R146 PolarHBondContact OE2-NH1 2.85Å; E143-V147 PolarHBondContact O-N 3.43Å |
| 144 | C | 91.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | F124 R140 V141 R146 V147 L148 L195 | F124-C144 HydrophobicContact CD1-CB 4.33Å; F124-C144 HydrophobicContact CE1-CB 3.62Å; F124-C144 HydrophobicContact CZ-CB 3.96Å; R140-C144 PolarHBondContact O-N 3.26Å; R140-C144 PolarHBondContact O-SG 3.35Å; R140-C144 VanDerWaalsContact O-SG 3.41Å; V141-C144 WeakPolarHBondContact O-CB 3.38Å; V141-C144 PolarHBondContact O-N 2.69Å; V141-C144 VanDerWaalsContact O-N 3.16Å; C144-R146 VanDerWaalsContact C-N 3.29Å; C144-R146 PolarHBondContact O-N 2.75Å; C144-V147 PolarHBondContact O-N 2.99Å; C144-L148 WeakPolarHBondContact O-CG 3Å; C144-L148 PolarHBondContact O-N 2.89Å; C144-L195 HydrophobicContact CB-CD1 3.7Å; C144-L195 HydrophobicContact CB-CD2 3.91Å; C144-L195 HydrophobicContact CB-CG 4.47Å |
| 145 | E | 93.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 175.9 | -71 | -176.5 | 144.5 | 0 | 0 | 111.7 | V141 V147 L148 H149 L195 L198 | V141-E145 HydrophobicContact CG1-CG 4.21Å; V141-E145 WeakPolarHBondContact O-CG 3.14Å; V141-E145 PolarHBondContact O-N 2.7Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 3.46Å; E145-L148 PolarHBondContact O-N 3.38Å; E145-H149 WeakPolarHBondContact O-CB 3.12Å; E145-H149 PolarHBondContact O-CD2 2.92Å; E145-H149 PolarHBondContact O-N 3.21Å; E145-L195 HydrophobicContact CG-CD1 3.87Å; E145-L198 HydrophobicContact CB-CD2 4.03Å; E145-L198 HydrophobicContact CG-CD2 3.87Å |
| 146 | R | 94.7 | Very high | 89.5 | Confident | 92 Ų | 92 | 43.4 Ų | 43.4 | 35% | 0.347 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 176.9 | -176 | -179.5 | -73.7 | 164.5 | -10.7 | 111.7 | S80 R142 E143 C144 R150 | S80-R146 PolarHBondContact OG-NH1 2.88Å; S80-R146 VanDerWaalsContact OG-NH1 3.08Å; R142-R146 WeakPolarHBondContact O-CB 3.12Å; R142-R146 PolarHBondContact O-N 3.28Å; R142-R146 VanDerWaalsContact O-N 3.1Å; E143-R146 WeakPolarHBondContact O-CB 3.24Å; E143-R146 PolarHBondContact O-N 3.28Å; E143-R146 IonicContact OE1-NH1 3.23Å; E143-R146 PolarHBondContact OE1-NH1 2.75Å; E143-R146 IonicContact OE2-CZ 3.8Å; E143-R146 IonicContact OE2-NE 3.56Å; E143-R146 IonicContact OE2-NH1 3.31Å; E143-R146 PolarHBondContact OE2-NH1 2.85Å; C144-R146 VanDerWaalsContact C-N 3.29Å; C144-R146 PolarHBondContact O-N 2.75Å; R146-R150 WeakPolarHBondContact O-CB 3.01Å; R146-R150 PolarHBondContact O-N 3.17Å |
| 147 | V | 95.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 111 | V83 L120 L123 F124 E143 C144 E145 H149 R150 I151 F173 | V83-V147 HydrophobicContact CG1-CG2 3.79Å; L120-V147 HydrophobicContact CB-CG1 4.43Å; L120-V147 HydrophobicContact CD1-CG1 4.07Å; L120-V147 HydrophobicContact CD1-CG2 4.35Å; L120-V147 HydrophobicContact CD2-CG2 3.87Å; L123-V147 HydrophobicContact CD1-CG2 3.96Å; F124-V147 HydrophobicContact CE2-CB 4.46Å; F124-V147 HydrophobicContact CE2-CG1 4.19Å; F124-V147 HydrophobicContact CZ-CB 4.31Å; F124-V147 HydrophobicContact CZ-CG1 4.32Å; E143-V147 PolarHBondContact O-N 3.43Å; C144-V147 PolarHBondContact O-N 2.99Å; E145-V147 VanDerWaalsContact C-N 3.34Å; E145-V147 PolarHBondContact O-N 3.46Å; V147-H149 PolarHBondContact O-N 3.17Å; V147-R150 PolarHBondContact O-N 3.21Å; V147-I151 HydrophobicContact CG1-CD1 3.99Å; V147-I151 WeakPolarHBondContact O-CG1 3.48Å; V147-I151 PolarHBondContact O-N 3.39Å; V147-F173 HydrophobicContact CG1-CE1 4.39Å; V147-F173 HydrophobicContact CG1-CZ 4.11Å |
| 148 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | -179.5 | -69 | 175.3 | 0 | 0 | 0 | 112.4 | F124 C144 E145 I151 K152 M174 V177 L195 L198 A199 V202 | F124-L148 HydrophobicContact CE1-CG 4.45Å; F124-L148 HydrophobicContact CZ-CD2 4.45Å; F124-L148 HydrophobicContact CZ-CG 4.3Å; C144-L148 WeakPolarHBondContact O-CG 3Å; C144-L148 PolarHBondContact O-N 2.89Å; E145-L148 PolarHBondContact O-N 3.38Å; L148-I151 PolarHBondContact O-N 3.33Å; L148-K152 WeakPolarHBondContact O-CB 2.98Å; L148-K152 PolarHBondContact O-N 3.07Å; L148-M174 HydrophobicContact CD2-CE 3.57Å; L148-M174 HydrophobicContact CD2-SD 3.78Å; L148-V177 HydrophobicContact CD2-CG1 4.45Å; L148-L195 HydrophobicContact CD1-CD1 3.75Å; L148-L198 HydrophobicContact CB-CD2 4.09Å; L148-L198 HydrophobicContact CB-CG 4.28Å; L148-L198 HydrophobicContact CD1-CB 4.43Å; L148-L198 HydrophobicContact CD1-CD2 4.05Å; L148-L198 HydrophobicContact CD1-CG 4.03Å; L148-A199 HydrophobicContact CD1-CB 3.89Å; L148-A199 HydrophobicContact CD2-CB 4.46Å; L148-V202 HydrophobicContact CB-CG2 4.2Å; L148-V202 HydrophobicContact CD2-CB 4.41Å; L148-V202 HydrophobicContact CD2-CG1 4.45Å |
| 149 | H | 94.9 | Very high | 90.8 | Very high | 98 Ų | 98 | 45.8 Ų | 45.8 | 45% | 0.454 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 175.1 | -77.8 | -55.3 | 0 | 0 | 0 | 112.2 | E145 V147 K152 S153 | E145-H149 WeakPolarHBondContact O-CB 3.12Å; E145-H149 PolarHBondContact O-CD2 2.92Å; E145-H149 PolarHBondContact O-N 3.21Å; V147-H149 PolarHBondContact O-N 3.17Å; H149-K152 PolarHBondContact O-N 3.31Å; H149-S153 PolarHBondContact O-N 3.07Å |
| 150 | R | 94.3 | Very high | 90.6 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.8 | -179.3 | 62.5 | 73.8 | -157.5 | 9.6 | 111.3 | C87 D88 R146 V147 K152 S153 V154 | C87-R150 HydrophobicContact CB-CB 4.2Å; C87-R150 HydrophobicContact CB-CG 3.87Å; C87-R150 WeakPolarHBondContact O-CD 3.46Å; C87-R150 WeakPolarHBondContact O-CG 3.41Å; C87-R150 PolarHBondContact O-NE 2.85Å; D88-R150 IonicContact OD1-CZ 2.72Å; D88-R150 IonicContact OD1-NE 2.7Å; D88-R150 IonicContact OD1-NH2 2.81Å; D88-R150 PolarHBondContact OD1-NH2 3.42Å; R146-R150 WeakPolarHBondContact O-CB 3.01Å; R146-R150 PolarHBondContact O-N 3.17Å; V147-R150 PolarHBondContact O-N 3.21Å; R150-K152 VanDerWaalsContact C-N 3.34Å; R150-K152 PolarHBondContact O-N 3.26Å; R150-S153 PolarHBondContact O-N 3.01Å; R150-S153 PolarHBondContact O-OG 2.85Å; R150-V154 HydrophobicContact CG-CG2 4.31Å; R150-V154 WeakPolarHBondContact O-CG2 3.42Å; R150-V154 PolarHBondContact O-N 2.99Å |
| 151 | I | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.5 | -49.6 | 176.1 | -69.7 | 170.5 | 0 | 0 | 0 | 110.5 | L90 L117 V147 L148 S153 V154 V155 F173 M174 V202 V206 | L90-I151 HydrophobicContact CD2-CG1 4.27Å; L117-I151 HydrophobicContact CD2-CD1 4.07Å; L117-I151 HydrophobicContact CD2-CG1 4.38Å; V147-I151 HydrophobicContact CG1-CD1 3.99Å; V147-I151 WeakPolarHBondContact O-CG1 3.48Å; V147-I151 PolarHBondContact O-N 3.39Å; L148-I151 PolarHBondContact O-N 3.33Å; I151-S153 PolarHBondContact O-N 3.37Å; I151-V154 PolarHBondContact O-N 3.42Å; I151-V154 VanDerWaalsContact O-N 3.13Å; I151-V155 HydrophobicContact CG2-CG2 4.02Å; I151-V155 WeakPolarHBondContact O-CG2 3.34Å; I151-V155 PolarHBondContact O-N 3.5Å; I151-V155 VanDerWaalsContact O-N 3.09Å; I151-F173 HydrophobicContact CD1-CD1 3.62Å; I151-F173 HydrophobicContact CD1-CE1 3.24Å; I151-F173 HydrophobicContact CD1-CZ 4.19Å; I151-M174 HydrophobicContact CD1-SD 4.1Å; I151-V202 HydrophobicContact CB-CG1 4.46Å; I151-V202 HydrophobicContact CG2-CG1 4.1Å; I151-V206 HydrophobicContact CG2-CG2 3.84Å |
| 152 | K | 90.1 | Very high | 90.5 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.5 | -35.1 | 177.2 | -175.4 | 176.9 | 178.9 | -179.6 | 0 | 112.7 | L148 H149 R150 P156 V202 F205 | L148-K152 WeakPolarHBondContact O-CB 2.98Å; L148-K152 PolarHBondContact O-N 3.07Å; H149-K152 PolarHBondContact O-N 3.31Å; R150-K152 VanDerWaalsContact C-N 3.34Å; R150-K152 PolarHBondContact O-N 3.26Å; K152-P156 WeakPolarHBondContact O-CD 3.2Å; K152-V202 HydrophobicContact CB-CG1 4.38Å; K152-V202 HydrophobicContact CB-CG2 4.2Å; K152-V202 HydrophobicContact CD-CG2 4.34Å; K152-F205 HydrophobicContact CG-CD1 3.97Å; K152-F205 HydrophobicContact CG-CE1 3.98Å; K152-F205 WeakPolarHBondContact O-CE1 3.46Å |
| 153 | S | 90.9 | Very high | 90.2 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -76.5 | -33.9 | 178.2 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | H149 R150 I151 | H149-S153 PolarHBondContact O-N 3.07Å; R150-S153 PolarHBondContact O-N 3.01Å; R150-S153 PolarHBondContact O-OG 2.85Å; I151-S153 PolarHBondContact O-N 3.37Å |
| 154 | V | 92.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -79.4 | -37.9 | -176 | 170.6 | 0 | 0 | 0 | 0 | 112.2 | T91 L93 T94 R150 I151 D157 T158 M170 | T91-V154 HydrophobicContact CG2-CG2 4.44Å; L93-V154 HydrophobicContact CB-CG1 3.8Å; L93-V154 HydrophobicContact CD1-CG1 3.95Å; T94-V154 HydrophobicContact CG2-CB 4.36Å; T94-V154 HydrophobicContact CG2-CG1 3.95Å; T94-V154 HydrophobicContact CG2-CG2 4.27Å; R150-V154 HydrophobicContact CG-CG2 4.31Å; R150-V154 WeakPolarHBondContact O-CG2 3.42Å; R150-V154 PolarHBondContact O-N 2.99Å; I151-V154 PolarHBondContact O-N 3.42Å; I151-V154 VanDerWaalsContact O-N 3.13Å; V154-D157 CarbonylContact O-C 3.58Å; V154-D157 PolarHBondContact O-N 3.24Å; V154-D157 VanDerWaalsContact O-N 3.08Å; V154-T158 PolarHBondContact O-N 2.95Å; V154-T158 VanDerWaalsContact O-N 3.11Å; V154-T158 PolarHBondContact O-OG1 2.92Å; V154-T158 VanDerWaalsContact O-OG1 3.1Å; V154-M170 HydrophobicContact CB-CE 4.37Å; V154-M170 HydrophobicContact CG1-CE 3.95Å |
| 155 | V | 89.4 | Confident | 89.3 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -51.1 | -50 | -173.3 | 167.3 | 0 | 0 | 0 | 0 | 113.5 | I151 D157 T158 L167 M170 F205 V206 Q209 | I151-V155 HydrophobicContact CG2-CG2 4.02Å; I151-V155 WeakPolarHBondContact O-CG2 3.34Å; I151-V155 PolarHBondContact O-N 3.5Å; I151-V155 VanDerWaalsContact O-N 3.09Å; V155-D157 VanDerWaalsContact C-N 3.31Å; V155-D157 PolarHBondContact O-N 3.39Å; V155-T158 WeakPolarHBondContact O-CB 3.29Å; V155-T158 PolarHBondContact O-N 2.89Å; V155-T158 PolarHBondContact O-OG1 3.26Å; V155-L167 HydrophobicContact CG1-CD2 3.86Å; V155-M170 HydrophobicContact CG2-CE 4.24Å; V155-M170 HydrophobicContact CG2-SD 3.57Å; V155-M170 VanDerWaalsContact CG2-SD 3.57Å; V155-F205 HydrophobicContact CB-CE1 4.16Å; V155-F205 HydrophobicContact CG1-CE1 4.12Å; V155-V206 HydrophobicContact CG2-CG2 3.88Å; V155-Q209 HydrophobicContact CG1-CB 3.57Å; V155-Q209 HydrophobicContact CG1-CG 3.67Å |
| 156 | P | 83.2 | Confident | 89 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -66.4 | -30.9 | -179.1 | -21.6 | 36.4 | 0 | 0 | 0 | 114 | K152 F205 | K152-P156 WeakPolarHBondContact O-CD 3.2Å; P156-F205 HydrophobicContact CG-CE1 4.03Å; P156-F205 HydrophobicContact CG-CZ 3.69Å |
| 157 | D | 87.7 | Confident | 88.7 | Confident | 109 Ų | 109 | 45 Ų | 45 | 58% | 0.583 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -94.2 | 4.7 | -175.2 | -70.8 | -21.6 | 0 | 0 | 0 | 112.7 | T94 G95 V154 V155 K159 | T94-D157 VanDerWaalsContact CA-O 3.27Å; T94-D157 WeakPolarHBondContact CA-O 3.41Å; T94-D157 HydrophobicContact CG2-CB 3.94Å; G95-D157 PolarHBondContact N-O 3.13Å; V154-D157 CarbonylContact O-C 3.58Å; V154-D157 PolarHBondContact O-N 3.24Å; V154-D157 VanDerWaalsContact O-N 3.08Å; V155-D157 VanDerWaalsContact C-N 3.31Å; V155-D157 PolarHBondContact O-N 3.39Å; D157-K159 PolarHBondContact O-N 3.44Å |
| 158 | T | 89.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -59.9 | 128.9 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 110 | L93 V154 V155 A160 L162 Q163 | L93-T158 WeakPolarHBondContact O-CA 3.2Å; V154-T158 PolarHBondContact O-N 2.95Å; V154-T158 VanDerWaalsContact O-N 3.11Å; V154-T158 PolarHBondContact O-OG1 2.92Å; V154-T158 VanDerWaalsContact O-OG1 3.1Å; V155-T158 WeakPolarHBondContact O-CB 3.29Å; V155-T158 PolarHBondContact O-N 2.89Å; V155-T158 PolarHBondContact O-OG1 3.26Å; T158-A160 PolarHBondContact O-N 3.35Å; T158-L162 HydrophobicContact CG2-CB 4.26Å; T158-Q163 HydrophobicContact CG2-CG 4.16Å; T158-Q163 PolarHBondContact O-NE2 3.38Å; T158-Q163 VanDerWaalsContact O-NE2 3.08Å |
| 159 | K | 89.7 | Confident | 87.9 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | trans | -52.6 | 132.8 | 178.3 | -63.2 | 166.9 | -163.8 | 161.4 | 0 | 110.5 | C92 L93 T94 D157 E161 L162 Q163 | C92-K159 PolarHBondContact O-NZ 3.47Å; L93-K159 WeakPolarHBondContact O-CG 3.32Å; L93-K159 PolarHBondContact O-N 3.03Å; T94-K159 WeakPolarHBondContact O-CE 3.39Å; D157-K159 PolarHBondContact O-N 3.44Å; K159-E161 HydrophobicContact CB-CG 4.25Å; K159-E161 PolarHBondContact O-N 3.31Å; K159-E161 VanDerWaalsContact O-N 3.1Å; K159-L162 HydrophobicContact CB-CD1 4.26Å; K159-L162 HydrophobicContact CB-CG 4.33Å; K159-L162 HydrophobicContact CD-CD1 4.02Å; K159-L162 PolarHBondContact O-N 3.47Å; K159-Q163 PolarHBondContact O-N 3.37Å | ||
| 160 | A | 82.3 | Confident | 87.7 | Confident | 80 Ų | 80 | 43.7 Ų | 43.7 | 66% | 0.661 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -37.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T158 L162 Q163 | T158-A160 PolarHBondContact O-N 3.35Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 PolarHBondContact O-N 3.49Å; A160-Q163 PolarHBondContact O-N 2.94Å |
| 161 | E | 85.2 | Confident | 87.3 | Confident | 149 Ų | 149 | 40.5 Ų | 40.5 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.3 | 178 | 68.5 | -165.2 | 176.2 | 0 | 0 | 114.4 | K159 | K159-E161 HydrophobicContact CB-CG 4.25Å; K159-E161 PolarHBondContact O-N 3.31Å; K159-E161 VanDerWaalsContact O-N 3.1Å |
| 162 | L | 85.6 | Confident | 87.1 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -16.8 | -180 | -64.3 | 178.7 | 0 | 0 | 0 | 113 | L93 H110 T158 K159 A160 S164 T165 V166 | L93-L162 HydrophobicContact CD2-CD1 4.07Å; H110-L162 HydrophobicContact CB-CD2 4.42Å; T158-L162 HydrophobicContact CG2-CB 4.26Å; K159-L162 HydrophobicContact CB-CD1 4.26Å; K159-L162 HydrophobicContact CB-CG 4.33Å; K159-L162 HydrophobicContact CD-CD1 4.02Å; K159-L162 PolarHBondContact O-N 3.47Å; A160-L162 VanDerWaalsContact C-N 3.27Å; A160-L162 PolarHBondContact O-N 3.49Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 2.94Å; L162-T165 PolarHBondContact O-N 3.48Å; L162-T165 PolarHBondContact O-OG1 3.34Å; L162-T165 VanDerWaalsContact O-OG1 3.06Å; L162-V166 HydrophobicContact CB-CG2 3.97Å; L162-V166 WeakPolarHBondContact O-CB 2.87Å; L162-V166 PolarHBondContact O-N 3.33Å |
| 163 | Q | 84 | Confident | 87.1 | Confident | 31 Ų | 31 | 39 Ų | 39 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.1 | -39.9 | -172.4 | -74.4 | 175.7 | -8.1 | 0 | 0 | 113 | T158 K159 A160 T165 L167 H213 | T158-Q163 HydrophobicContact CG2-CG 4.16Å; T158-Q163 PolarHBondContact O-NE2 3.38Å; T158-Q163 VanDerWaalsContact O-NE2 3.08Å; K159-Q163 PolarHBondContact O-N 3.37Å; A160-Q163 PolarHBondContact O-N 2.94Å; Q163-T165 VanDerWaalsContact C-N 3.26Å; Q163-T165 PolarHBondContact O-N 3.35Å; Q163-L167 HydrophobicContact CB-CD1 4.03Å; Q163-L167 HydrophobicContact CG-CD1 4.34Å; Q163-L167 VanDerWaalsContact O-CB 3.31Å; Q163-L167 WeakPolarHBondContact O-CB 3.25Å; Q163-L167 WeakPolarHBondContact O-CG 3.33Å; Q163-L167 PolarHBondContact O-N 3.35Å; Q163-H213 HydrophobicContact CB-CB 4.47Å; Q163-H213 PolarHBondContact OE1-ND1 2.91Å; Q163-H213 VanDerWaalsContact OE1-ND1 3.14Å |
| 164 | S | 78 | Confident | 87.1 | Confident | 61 Ų | 61 | 36.6 Ų | 36.6 | 43% | 0.427 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.3 | -21.1 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | L162 P168 | L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 2.94Å; S164-P168 WeakPolarHBondContact O-CG 3.33Å |
| 165 | T | 85.5 | Confident | 86.6 | Confident | 55 Ų | 55 | 36.6 Ų | 36.6 | 34% | 0.337 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -106.7 | -38.9 | -177.3 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | L162 Q163 | L162-T165 PolarHBondContact O-N 3.48Å; L162-T165 PolarHBondContact O-OG1 3.34Å; L162-T165 VanDerWaalsContact O-OG1 3.06Å; Q163-T165 VanDerWaalsContact C-N 3.26Å; Q163-T165 PolarHBondContact O-N 3.35Å |
| 166 | V | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -84.5 | -38.9 | -173.6 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | L93 H110 L162 E169 M170 | L93-V166 HydrophobicContact CD1-CG1 3.55Å; L93-V166 HydrophobicContact CD2-CB 4.27Å; L93-V166 HydrophobicContact CD2-CG1 3.71Å; L93-V166 HydrophobicContact CD2-CG2 3.65Å; L93-V166 HydrophobicContact CG-CG1 4.24Å; H110-V166 HydrophobicContact CB-CG2 4.28Å; L162-V166 HydrophobicContact CB-CG2 3.97Å; L162-V166 WeakPolarHBondContact O-CB 2.87Å; L162-V166 PolarHBondContact O-N 3.33Å; V166-E169 PolarHBondContact O-N 2.97Å; V166-E169 VanDerWaalsContact O-N 3.13Å; V166-M170 HydrophobicContact CG1-CG 4.23Å; V166-M170 HydrophobicContact CG1-SD 4.14Å; V166-M170 PolarHBondContact O-N 2.94Å |
| 167 | L | 87.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | -179.9 | -65.2 | 175.7 | 0 | 0 | 0 | 112.4 | V155 Q163 E169 M170 L171 A210 H213 | V155-L167 HydrophobicContact CG1-CD2 3.86Å; Q163-L167 HydrophobicContact CB-CD1 4.03Å; Q163-L167 HydrophobicContact CG-CD1 4.34Å; Q163-L167 VanDerWaalsContact O-CB 3.31Å; Q163-L167 WeakPolarHBondContact O-CB 3.25Å; Q163-L167 WeakPolarHBondContact O-CG 3.33Å; Q163-L167 PolarHBondContact O-N 3.35Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 2.95Å; L167-M170 HydrophobicContact CD2-SD 4.43Å; L167-M170 PolarHBondContact O-N 3.38Å; L167-L171 WeakPolarHBondContact O-CB 3.33Å; L167-L171 PolarHBondContact O-N 3.46Å; L167-A210 HydrophobicContact CB-CB 4.4Å; L167-H213 HydrophobicContact CD1-CB 4.03Å |
| 168 | P | 84.9 | Confident | 85.8 | Confident | 22 Ų | 22 | 29 Ų | 29 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | 171.9 | -25 | 35.3 | 0 | 0 | 0 | 113.8 | S164 L171 K172 Y220 | S164-P168 WeakPolarHBondContact O-CG 3.33Å; P168-L171 PolarHBondContact O-N 2.97Å; P168-K172 WeakPolarHBondContact O-CB 3.32Å; P168-K172 PolarHBondContact O-N 2.89Å; P168-Y220 HydrophobicContact CB-CE2 4.39Å; P168-Y220 VanDerWaalsContact CB-OH 3.23Å; P168-Y220 WeakPolarHBondContact CB-OH 3.32Å; P168-Y220 WeakPolarHBondContact O-CE1 3.18Å; P168-Y220 PolarHBondContact O-OH 3.17Å |
| 169 | E | 88.1 | Confident | 85.1 | Confident | 51 Ų | 51 | 32.9 Ų | 32.9 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.2 | -40.5 | 176.6 | -67.9 | -59.1 | 144 | 0 | 0 | 111.9 | T114 V166 L167 L171 K172 F173 | T114-E169 HydrophobicContact CG2-CG 4.2Å; T114-E169 WeakPolarHBondContact CG2-OE2 3.48Å; V166-E169 PolarHBondContact O-N 2.97Å; V166-E169 VanDerWaalsContact O-N 3.13Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 2.95Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.44Å; E169-K172 PolarHBondContact O-N 3.24Å; E169-F173 WeakPolarHBondContact O-CB 3.47Å; E169-F173 PolarHBondContact O-N 3.47Å |
| 170 | M | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 171.4 | -74.5 | -178 | 145.2 | 0 | 0 | 111.8 | L90 L93 L117 V154 V155 V166 L167 F173 M174 V206 | L90-M170 HydrophobicContact CD2-CE 4.34Å; L93-M170 HydrophobicContact CD1-CE 3.71Å; L117-M170 HydrophobicContact CD1-CG 3.8Å; V154-M170 HydrophobicContact CB-CE 4.37Å; V154-M170 HydrophobicContact CG1-CE 3.95Å; V155-M170 HydrophobicContact CG2-CE 4.24Å; V155-M170 HydrophobicContact CG2-SD 3.57Å; V155-M170 VanDerWaalsContact CG2-SD 3.57Å; V166-M170 HydrophobicContact CG1-CG 4.23Å; V166-M170 HydrophobicContact CG1-SD 4.14Å; V166-M170 PolarHBondContact O-N 2.94Å; L167-M170 HydrophobicContact CD2-SD 4.43Å; L167-M170 PolarHBondContact O-N 3.38Å; M170-F173 PolarHBondContact O-N 3.32Å; M170-M174 WeakPolarHBondContact O-CB 3.43Å; M170-M174 VanDerWaalsContact O-CG 3.31Å; M170-M174 WeakPolarHBondContact O-CG 3.38Å; M170-M174 PolarHBondContact O-N 3.45Å; M170-V206 HydrophobicContact CB-CG1 4.03Å |
| 171 | L | 86.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -43.1 | 177.4 | -165.2 | 63.4 | 0 | 0 | 0 | 111.6 | L167 P168 E169 F173 M174 L175 L203 V206 W207 P216 Y220 | L167-L171 WeakPolarHBondContact O-CB 3.33Å; L167-L171 PolarHBondContact O-N 3.46Å; P168-L171 PolarHBondContact O-N 2.97Å; E169-L171 VanDerWaalsContact C-N 3.28Å; E169-L171 PolarHBondContact O-N 3.44Å; L171-F173 VanDerWaalsContact C-N 3.34Å; L171-M174 PolarHBondContact O-N 2.99Å; L171-L175 PolarHBondContact O-N 2.7Å; L171-L203 HydrophobicContact CD1-CD1 4.09Å; L171-V206 HydrophobicContact CB-CG1 4.45Å; L171-V206 HydrophobicContact CD1-CB 4.48Å; L171-V206 HydrophobicContact CD1-CG1 4.11Å; L171-W207 HydrophobicContact CD1-CB 3.84Å; L171-W207 HydrophobicContact CD1-CD2 3.7Å; L171-W207 HydrophobicContact CD1-CE3 3.37Å; L171-W207 HydrophobicContact CD1-CG 3.95Å; L171-W207 HydrophobicContact CD1-CZ3 3.99Å; L171-W207 HydrophobicContact CD2-CD2 3.92Å; L171-W207 HydrophobicContact CD2-CE3 4.03Å; L171-W207 HydrophobicContact CD2-CG 4.37Å; L171-W207 HydrophobicContact CD2-CH2 4.27Å; L171-W207 HydrophobicContact CD2-CZ2 4.24Å; L171-W207 HydrophobicContact CD2-CZ3 4.17Å; L171-W207 HydrophobicContact CG-CD2 4.26Å; L171-W207 HydrophobicContact CG-CE3 3.92Å; L171-W207 HydrophobicContact CG-CZ3 4.07Å; L171-P216 HydrophobicContact CD2-CB 3.89Å; L171-P216 HydrophobicContact CD2-CG 3.7Å; L171-Y220 HydrophobicContact CB-CD1 4.27Å; L171-Y220 HydrophobicContact CB-CE1 4.11Å; L171-Y220 HydrophobicContact CD2-CD1 3.69Å; L171-Y220 HydrophobicContact CD2-CE1 4.24Å; L171-Y220 HydrophobicContact CD2-CG 4.25Å; L171-Y220 HydrophobicContact CG-CD1 4.01Å; L171-Y220 HydrophobicContact CG-CE1 4.37Å |
| 172 | K | 87.8 | Confident | 82.8 | Confident | 60 Ų | 60 | 24.5 Ų | 24.5 | 26% | 0.261 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.4 | -173.9 | -176.4 | 177.6 | -172.4 | 0 | 111 | D12 L13 P168 E169 L175 G176 Y220 | D12-K172 WeakPolarHBondContact O-CE 3.42Å; D12-K172 PolarHBondContact O-NZ 3.13Å; L13-K172 HydrophobicContact CD2-CG 4.04Å; P168-K172 WeakPolarHBondContact O-CB 3.32Å; P168-K172 PolarHBondContact O-N 2.89Å; E169-K172 PolarHBondContact O-N 3.24Å; K172-L175 PolarHBondContact O-N 3.28Å; K172-G176 PolarHBondContact O-N 3.33Å; K172-Y220 HydrophobicContact CB-CE1 4.05Å |
| 173 | F | 90.8 | Very high | 81.6 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.1 | -49.7 | 173.4 | 170.9 | -93.3 | 0 | 0 | 0 | 111.7 | L15 L117 L120 F124 V147 I151 E169 M170 L171 L175 G176 V177 | L15-F173 HydrophobicContact CD2-CD2 3.88Å; L15-F173 HydrophobicContact CD2-CE2 4.45Å; L117-F173 HydrophobicContact CB-CB 4.34Å; L117-F173 HydrophobicContact CB-CD2 3.97Å; L117-F173 HydrophobicContact CB-CG 4.21Å; L117-F173 HydrophobicContact CD2-CD1 4.12Å; L117-F173 HydrophobicContact CD2-CD2 4.33Å; L117-F173 HydrophobicContact CD2-CE1 4.46Å; L117-F173 HydrophobicContact CD2-CG 4.06Å; L117-F173 WeakPolarHBondContact O-CD2 3.49Å; L117-F173 WeakPolarHBondContact O-CE2 3.42Å; L120-F173 HydrophobicContact CB-CE2 4.32Å; L120-F173 HydrophobicContact CB-CZ 4.46Å; F124-F173 HydrophobicContact CD2-CZ 4.26Å; F124-F173 AromaticContact CE2-CZ 3.83Å; F124-F173 HydrophobicContact CE2-CZ 3.83Å; V147-F173 HydrophobicContact CG1-CE1 4.39Å; V147-F173 HydrophobicContact CG1-CZ 4.11Å; I151-F173 HydrophobicContact CD1-CD1 3.62Å; I151-F173 HydrophobicContact CD1-CE1 3.24Å; I151-F173 HydrophobicContact CD1-CZ 4.19Å; E169-F173 WeakPolarHBondContact O-CB 3.47Å; E169-F173 PolarHBondContact O-N 3.47Å; M170-F173 PolarHBondContact O-N 3.32Å; L171-F173 VanDerWaalsContact C-N 3.34Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 3.01Å; F173-G176 PolarHBondContact O-N 3.08Å; F173-G176 VanDerWaalsContact O-N 3.13Å; F173-V177 HydrophobicContact CD1-CG2 4.06Å; F173-V177 HydrophobicContact CE1-CG2 3.52Å; F173-V177 HydrophobicContact CE2-CG2 4.07Å; F173-V177 HydrophobicContact CZ-CG2 3.54Å; F173-V177 WeakPolarHBondContact O-CG2 3.3Å; F173-V177 PolarHBondContact O-N 3.32Å |
| 174 | M | 90.1 | Very high | 80 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.8 | -33.2 | -178.9 | -73.4 | -56 | -50.8 | 0 | 0 | 113.1 | L148 I151 M170 L171 V177 A178 A199 V202 L203 V206 | L148-M174 HydrophobicContact CD2-CE 3.57Å; L148-M174 HydrophobicContact CD2-SD 3.78Å; I151-M174 HydrophobicContact CD1-SD 4.1Å; M170-M174 WeakPolarHBondContact O-CB 3.43Å; M170-M174 VanDerWaalsContact O-CG 3.31Å; M170-M174 WeakPolarHBondContact O-CG 3.38Å; M170-M174 PolarHBondContact O-N 3.45Å; L171-M174 PolarHBondContact O-N 2.99Å; M174-V177 PolarHBondContact O-N 3.01Å; M174-A178 WeakPolarHBondContact O-CB 3.38Å; M174-A178 PolarHBondContact O-N 3.47Å; M174-A199 WeakPolarHBondContact CE-O 3.34Å; M174-V202 HydrophobicContact CE-CB 4Å; M174-V202 HydrophobicContact CE-CG1 3.96Å; M174-V202 HydrophobicContact SD-CG1 3.99Å; M174-L203 HydrophobicContact CB-CB 4.21Å; M174-L203 HydrophobicContact CB-CD1 3.49Å; M174-L203 VanDerWaalsContact CB-CD1 3.49Å; M174-L203 HydrophobicContact CB-CG 4.43Å; M174-L203 HydrophobicContact CE-CB 3.94Å; M174-V206 HydrophobicContact CG-CG2 4.25Å |
| 175 | L | 82.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 171.1 | -82.4 | 170.3 | 0 | 0 | 0 | 111.5 | L11 L13 L171 K172 F173 V177 A178 Q179 L203 W207 Y220 T223 L224 | L11-L175 HydrophobicContact CD1-CD1 4.34Å; L13-L175 HydrophobicContact CD1-CB 4.1Å; L13-L175 HydrophobicContact CD2-CB 3.87Å; L171-L175 PolarHBondContact O-N 2.7Å; K172-L175 PolarHBondContact O-N 3.28Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 3.01Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.92Å; L175-A178 PolarHBondContact O-N 3.34Å; L175-Q179 WeakPolarHBondContact O-CB 3.49Å; L175-Q179 PolarHBondContact O-N 3.37Å; L175-L203 HydrophobicContact CG-CD1 4.4Å; L175-W207 HydrophobicContact CD1-CH2 4.18Å; L175-W207 HydrophobicContact CD1-CZ3 3.98Å; L175-W207 HydrophobicContact CD2-CH2 4.42Å; L175-W207 HydrophobicContact CD2-CZ3 3.81Å; L175-W207 HydrophobicContact CG-CZ3 3.95Å; L175-Y220 HydrophobicContact CD1-CD1 4.09Å; L175-T223 HydrophobicContact CD1-CG2 4.47Å; L175-L224 HydrophobicContact CD2-CB 4.12Å; L175-L224 HydrophobicContact CD2-CD1 3.74Å |
| 176 | G | 82.4 | Confident | 77 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -36.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K172 F173 N180 | K172-G176 PolarHBondContact O-N 3.33Å; F173-G176 PolarHBondContact O-N 3.08Å; F173-G176 VanDerWaalsContact O-N 3.13Å; G176-N180 PolarHBondContact O-N 3.35Å; G176-N180 VanDerWaalsContact O-N 3.07Å; G176-N180 PolarHBondContact O-ND2 2.95Å |
| 177 | V | 84.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 172.4 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | F124 L148 F173 M174 L175 N180 L181 A199 | F124-V177 HydrophobicContact CB-CG2 4.4Å; F124-V177 HydrophobicContact CD1-CB 4.33Å; F124-V177 HydrophobicContact CD1-CG1 3.52Å; F124-V177 HydrophobicContact CD1-CG2 4.09Å; F124-V177 HydrophobicContact CD2-CG2 3.71Å; F124-V177 HydrophobicContact CE1-CG1 3.61Å; F124-V177 HydrophobicContact CE1-CG2 4.25Å; F124-V177 HydrophobicContact CE2-CG2 3.93Å; F124-V177 HydrophobicContact CG-CB 4.38Å; F124-V177 HydrophobicContact CG-CG1 4.05Å; F124-V177 HydrophobicContact CG-CG2 3.79Å; F124-V177 HydrophobicContact CZ-CG1 4.25Å; F124-V177 HydrophobicContact CZ-CG2 4.18Å; L148-V177 HydrophobicContact CD2-CG1 4.45Å; F173-V177 HydrophobicContact CD1-CG2 4.06Å; F173-V177 HydrophobicContact CE1-CG2 3.52Å; F173-V177 HydrophobicContact CE2-CG2 4.07Å; F173-V177 HydrophobicContact CZ-CG2 3.54Å; F173-V177 WeakPolarHBondContact O-CG2 3.3Å; F173-V177 PolarHBondContact O-N 3.32Å; M174-V177 PolarHBondContact O-N 3.01Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.92Å; V177-N180 PolarHBondContact O-N 3.36Å; V177-L181 HydrophobicContact CG1-CD1 3.75Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CB 3.18Å; V177-L181 WeakPolarHBondContact O-CG 3.45Å; V177-L181 PolarHBondContact O-N 3.23Å; V177-A199 HydrophobicContact CG1-CB 4.24Å |
| 178 | A | 76.4 | Confident | 73.5 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M174 L175 N180 L181 L182 L203 | M174-A178 WeakPolarHBondContact O-CB 3.38Å; M174-A178 PolarHBondContact O-N 3.47Å; L175-A178 PolarHBondContact O-N 3.34Å; A178-N180 PolarHBondContact O-N 2.9Å; A178-L181 PolarHBondContact O-N 2.91Å; A178-L182 HydrophobicContact CB-CD1 4.29Å; A178-L182 WeakPolarHBondContact O-CB 3.47Å; A178-L182 VanDerWaalsContact O-CG 3.23Å; A178-L182 WeakPolarHBondContact O-CG 3.26Å; A178-L182 PolarHBondContact O-N 3.43Å; A178-L203 HydrophobicContact CB-CD2 4.03Å |
| 179 | Q | 74.7 | Confident | 72.5 | Confident | 88 Ų | 88 | 44.6 Ų | 44.6 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 176.7 | -170.2 | 179.5 | 27 | 0 | 0 | 111.7 | L13 L175 A183 | L13-Q179 HydrophobicContact CD1-CB 4.39Å; L13-Q179 VanDerWaalsContact CD1-OE1 3.23Å; L175-Q179 WeakPolarHBondContact O-CB 3.49Å; L175-Q179 PolarHBondContact O-N 3.37Å; Q179-A183 WeakPolarHBondContact O-CB 3.48Å; Q179-A183 PolarHBondContact O-N 2.87Å |
| 180 | N | 74.1 | Confident | 71.6 | Confident | 49 Ų | 49 | 45.3 Ų | 45.3 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.6 | -38.5 | -178.8 | -73.8 | -57 | 0 | 0 | 0 | 113.5 | F124 G176 V177 A178 | F124-N180 HydrophobicContact CB-CB 4.45Å; F124-N180 WeakPolarHBondContact O-CB 3.49Å; G176-N180 PolarHBondContact O-N 3.35Å; G176-N180 VanDerWaalsContact O-N 3.07Å; G176-N180 PolarHBondContact O-ND2 2.95Å; V177-N180 PolarHBondContact O-N 3.36Å; A178-N180 PolarHBondContact O-N 2.9Å |
| 181 | L | 72.5 | Confident | 70.7 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.5 | -31.2 | -179.2 | -75 | 177 | 0 | 0 | 0 | 113.1 | F124 V177 A178 F186 L195 A199 | F124-L181 HydrophobicContact CD1-CD1 3.9Å; F124-L181 HydrophobicContact CD1-CD2 4.33Å; F124-L181 HydrophobicContact CD1-CG 4.08Å; F124-L181 HydrophobicContact CE1-CD1 4.2Å; V177-L181 HydrophobicContact CG1-CD1 3.75Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CB 3.18Å; V177-L181 WeakPolarHBondContact O-CG 3.45Å; V177-L181 PolarHBondContact O-N 3.23Å; A178-L181 PolarHBondContact O-N 2.91Å; L181-F186 WeakPolarHBondContact O-CE2 3.32Å; L181-F186 VanDerWaalsContact O-CZ 3.31Å; L181-F186 WeakPolarHBondContact O-CZ 3.48Å; L181-L195 HydrophobicContact CD1-CD2 4.38Å; L181-L195 HydrophobicContact CD1-CG 4.19Å; L181-L195 HydrophobicContact CD2-CD2 3.94Å; L181-A199 HydrophobicContact CD1-CB 3.74Å |
| 182 | L | 63.2 | Low | 70 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -98.4 | -8.6 | -172.2 | -58.6 | 174.5 | 0 | 0 | 0 | 114.1 | A178 F184 C196 M200 L229 L231 | A178-L182 HydrophobicContact CB-CD1 4.29Å; A178-L182 WeakPolarHBondContact O-CB 3.47Å; A178-L182 VanDerWaalsContact O-CG 3.23Å; A178-L182 WeakPolarHBondContact O-CG 3.26Å; A178-L182 PolarHBondContact O-N 3.43Å; L182-F184 VanDerWaalsContact C-N 3.3Å; L182-F184 PolarHBondContact O-N 3.27Å; L182-C196 HydrophobicContact CD2-CB 4.1Å; L182-M200 HydrophobicContact CD1-CG 4.49Å; L182-M200 HydrophobicContact CD1-SD 3.81Å; L182-L229 HydrophobicContact CD1-CD2 3.75Å; L182-L231 WeakPolarHBondContact O-CD1 3.18Å |
| 183 | A | 60.2 | Low | 69.1 | Low | 50 Ų | 50 | 47.9 Ų | 47.9 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -74.3 | -2.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q179 L231 | Q179-A183 WeakPolarHBondContact O-CB 3.48Å; Q179-A183 PolarHBondContact O-N 2.87Å; A183-L231 VanDerWaalsContact C-CD1 3.42Å; A183-L231 WeakPolarHBondContact O-CD1 3.29Å |
| 184 | F | 50.4 | Low | 68.4 | Low | 89 Ų | 89 | 51.4 Ų | 51.4 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -126.1 | 137.6 | -173.9 | -74.7 | -83.2 | 0 | 0 | 0 | 113.7 | L182 F186 | L182-F184 VanDerWaalsContact C-N 3.3Å; L182-F184 PolarHBondContact O-N 3.27Å; F184-F186 WeakPolarHBondContact O-CD2 3.37Å; F184-F186 VanDerWaalsContact O-CE2 3.3Å; F184-F186 WeakPolarHBondContact O-CE2 3.23Å; F184-F186 PolarHBondContact O-N 3.05Å |
| 185 | P | 48.4 | Very low | 67.9 | Low | 113 Ų | 113 | 51.5 Ų | 51.5 | 73% | 0.734 | 28% | 0.28 | S | S | * | . | trans | -75.6 | 108.2 | 176.7 | 27.6 | -29.8 | 0 | 0 | 0 | 109.6 | L231 | P185-L231 VanDerWaalsContact CA-CD2 3.47Å; P185-L231 HydrophobicContact CB-CD2 3.81Å; P185-L231 HydrophobicContact CG-CD2 4.42Å; P185-L231 VanDerWaalsContact N-CD2 3.3Å | ||
| 186 | F | 51.6 | Low | 67.5 | Low | 29 Ų | 29 | 52.1 Ų | 52.1 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | trans | -82.8 | 141.2 | 179.3 | -59.1 | -80.4 | 0 | 0 | 0 | 111.9 | W128 L181 F184 F188 I192 | W128-F186 HydrophobicContact CB-CE1 4.47Å; W128-F186 AromaticContact CD1-CE1 3.47Å; W128-F186 VanDerWaalsContact CD1-CE1 3.47Å; W128-F186 AromaticContact CD2-CE1 3.87Å; W128-F186 HydrophobicContact CD2-CE1 3.87Å; W128-F186 AromaticContact CE2-CE1 3.75Å; W128-F186 HydrophobicContact CG-CD1 4.42Å; W128-F186 AromaticContact CG-CE1 3.7Å; W128-F186 HydrophobicContact CG-CE1 3.7Å; W128-F186 HydrophobicContact CZ2-CE1 4.49Å; W128-F186 AromaticContact NE1-CE1 3.49Å; W128-F186 AromaticContact NE1-CZ 3.84Å; L181-F186 WeakPolarHBondContact O-CE2 3.32Å; L181-F186 VanDerWaalsContact O-CZ 3.31Å; L181-F186 WeakPolarHBondContact O-CZ 3.48Å; F184-F186 WeakPolarHBondContact O-CD2 3.37Å; F184-F186 VanDerWaalsContact O-CE2 3.3Å; F184-F186 WeakPolarHBondContact O-CE2 3.23Å; F184-F186 PolarHBondContact O-N 3.05Å; F186-F188 HydrophobicContact CB-CD1 3.7Å; F186-F188 HydrophobicContact CB-CD2 4.1Å; F186-F188 HydrophobicContact CB-CE1 3.75Å; F186-F188 HydrophobicContact CB-CE2 4.13Å; F186-F188 HydrophobicContact CB-CG 3.89Å; F186-F188 HydrophobicContact CB-CZ 3.96Å; F186-F188 HydrophobicContact CD2-CD1 4.13Å; F186-F188 AromaticContact CD2-CE1 3.46Å; F186-F188 HydrophobicContact CD2-CE1 3.46Å; F186-F188 VanDerWaalsContact CD2-CE1 3.46Å; F186-F188 AromaticContact CD2-CZ 3.83Å; F186-F188 HydrophobicContact CD2-CZ 3.83Å; F186-F188 HydrophobicContact CE2-CE1 4.38Å; F186-F188 HydrophobicContact CG-CD1 4.13Å; F186-F188 AromaticContact CG-CE1 3.9Å; F186-F188 HydrophobicContact CG-CE1 3.9Å; F186-F188 HydrophobicContact CG-CZ 4.35Å; F186-I192 HydrophobicContact CD1-CD1 4.22Å; F186-I192 HydrophobicContact CD1-CG2 4.06Å; F186-I192 HydrophobicContact CE1-CD1 4.36Å; F186-I192 HydrophobicContact CE1-CG2 3.74Å; F186-I192 HydrophobicContact CE2-CG2 4.27Å; F186-I192 HydrophobicContact CG-CG2 4.45Å; F186-I192 HydrophobicContact CZ-CG2 3.86Å | ||
| 187 | E | 50.8 | Low | 67 | Low | 198 Ų | 198 | 53.5 Ų | 53.5 | 93% | 0.925 | 30% | 0.296 | S | S | * | . | trans | -78.1 | 104.2 | 139.5 | -74.3 | -175.4 | 167.2 | 0 | 0 | 105.5 | D189 | E187-D189 PolarHBondContact O-N 3.18Š| ||
| 188 | F | 52.4 | Low | 66.9 | Low | 79 Ų | 79 | 54.4 Ų | 54.4 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | trans | -69.5 | 115.7 | -165 | -73.1 | -82.6 | 0 | 0 | 0 | 112.6 | F186 E193 N235 | F186-F188 HydrophobicContact CB-CD1 3.7Å; F186-F188 HydrophobicContact CB-CD2 4.1Å; F186-F188 HydrophobicContact CB-CE1 3.75Å; F186-F188 HydrophobicContact CB-CE2 4.13Å; F186-F188 HydrophobicContact CB-CG 3.89Å; F186-F188 HydrophobicContact CB-CZ 3.96Å; F186-F188 HydrophobicContact CD2-CD1 4.13Å; F186-F188 AromaticContact CD2-CE1 3.46Å; F186-F188 HydrophobicContact CD2-CE1 3.46Å; F186-F188 VanDerWaalsContact CD2-CE1 3.46Å; F186-F188 AromaticContact CD2-CZ 3.83Å; F186-F188 HydrophobicContact CD2-CZ 3.83Å; F186-F188 HydrophobicContact CE2-CE1 4.38Å; F186-F188 HydrophobicContact CG-CD1 4.13Å; F186-F188 AromaticContact CG-CE1 3.9Å; F186-F188 HydrophobicContact CG-CE1 3.9Å; F186-F188 HydrophobicContact CG-CZ 4.35Å; F188-E193 HydrophobicContact CD1-CB 4.3Å; F188-N235 HydrophobicContact CD2-CB 4.3Å; F188-N235 HydrophobicContact CE2-CB 4.41Å | ||
| 189 | D | 63.4 | Low | 67.1 | Low | 57 Ų | 57 | 54.1 Ų | 54.1 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | trans | -75.6 | 132.1 | 153 | -142.9 | -24.3 | 0 | 0 | 0 | 107.8 | E187 E191 I192 | E187-D189 PolarHBondContact O-N 3.18Å; D189-E191 PolarHBondContact O-N 3.44Å; D189-I192 HydrophobicContact CB-CD1 4.12Å; D189-I192 HydrophobicContact CB-CG1 4.34Å; D189-I192 PolarHBondContact O-N 3.22Å | ||
| 190 | A | 69.7 | Low | 67.2 | Low | 67 Ų | 67 | 50.8 Ų | 50.8 | 55% | 0.554 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55.9 | -27.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T194 | A190-T194 PolarHBondContact O-N 3.45Å; A190-T194 PolarHBondContact O-OG1 2.94Å |
| 191 | E | 72.3 | Confident | 67.1 | Low | 54 Ų | 54 | 55.3 Ų | 55.3 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.8 | -34.1 | -179.4 | -63.7 | 169.2 | 171.1 | 0 | 0 | 112.9 | K138 D189 T194 L195 | K138-E191 WeakPolarHBondContact CE-OE1 3.45Å; K138-E191 WeakPolarHBondContact CG-OE1 3.43Å; K138-E191 WeakPolarHBondContact CG-OE2 3.31Å; K138-E191 IonicContact NZ-OE1 2.72Å; D189-E191 PolarHBondContact O-N 3.44Å; E191-T194 VanDerWaalsContact C-OG1 3.32Å; E191-T194 WeakPolarHBondContact CA-OG1 3.21Å; E191-T194 PolarHBondContact O-N 3.38Å; E191-T194 PolarHBondContact O-OG1 3.1Å; E191-L195 PolarHBondContact O-N 3.32Å |
| 192 | I | 72.7 | Confident | 67.5 | Low | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.9 | -39.4 | 177.3 | -58.9 | 173.1 | 0 | 0 | 0 | 109.6 | W128 I137 F186 D189 T194 L195 C196 | W128-I192 HydrophobicContact CD2-CD1 4.32Å; W128-I192 HydrophobicContact CE3-CD1 3.77Å; W128-I192 HydrophobicContact CH2-CD1 3.45Å; W128-I192 VanDerWaalsContact CH2-CD1 3.45Å; W128-I192 HydrophobicContact CH2-CG1 3.61Å; W128-I192 HydrophobicContact CZ2-CD1 4.03Å; W128-I192 HydrophobicContact CZ2-CG1 4.16Å; W128-I192 HydrophobicContact CZ2-CG2 4.35Å; W128-I192 HydrophobicContact CZ3-CD1 3.3Å; W128-I192 HydrophobicContact CZ3-CG1 3.97Å; I137-I192 HydrophobicContact CG2-CD1 4.3Å; I137-I192 HydrophobicContact CG2-CG1 4.17Å; F186-I192 HydrophobicContact CD1-CD1 4.22Å; F186-I192 HydrophobicContact CD1-CG2 4.06Å; F186-I192 HydrophobicContact CE1-CD1 4.36Å; F186-I192 HydrophobicContact CE1-CG2 3.74Å; F186-I192 HydrophobicContact CE2-CG2 4.27Å; F186-I192 HydrophobicContact CG-CG2 4.45Å; F186-I192 HydrophobicContact CZ-CG2 3.86Å; D189-I192 HydrophobicContact CB-CD1 4.12Å; D189-I192 HydrophobicContact CB-CG1 4.34Å; D189-I192 PolarHBondContact O-N 3.22Å; I192-T194 VanDerWaalsContact C-N 3.33Å; I192-T194 PolarHBondContact O-N 3.2Å; I192-L195 PolarHBondContact O-N 2.86Å; I192-C196 PolarHBondContact O-N 3.15Å; I192-C196 PolarHBondContact O-SG 3.37Å |
| 193 | E | 68.9 | Low | 68.4 | Low | 56 Ų | 56 | 53 Ų | 53 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.4 | -170.7 | 176.8 | -170.3 | 0 | 0 | 110.9 | F188 L195 C196 A197 C236 | F188-E193 HydrophobicContact CD1-CB 4.3Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.04Å; E193-C196 PolarHBondContact O-N 3.4Å; E193-A197 WeakPolarHBondContact O-CB 3.5Å; E193-A197 PolarHBondContact O-N 2.84Å; E193-C236 PolarHBondContact OE1-SG 3.21Å; E193-C236 VanDerWaalsContact OE1-SG 3.33Å |
| 194 | T | 75.8 | Confident | 68.8 | Low | 78 Ų | 78 | 51.3 Ų | 51.3 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 175.4 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | A190 E191 I192 A197 L198 | A190-T194 PolarHBondContact O-N 3.45Å; A190-T194 PolarHBondContact O-OG1 2.94Å; E191-T194 VanDerWaalsContact C-OG1 3.32Å; E191-T194 WeakPolarHBondContact CA-OG1 3.21Å; E191-T194 PolarHBondContact O-N 3.38Å; E191-T194 PolarHBondContact O-OG1 3.1Å; I192-T194 VanDerWaalsContact C-N 3.33Å; I192-T194 PolarHBondContact O-N 3.2Å; T194-A197 PolarHBondContact O-N 3.43Å; T194-L198 WeakPolarHBondContact O-CB 3.44Å; T194-L198 PolarHBondContact O-N 3.33Å |
| 195 | L | 79.9 | Confident | 70.1 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 176.4 | 177.5 | 62.6 | 0 | 0 | 0 | 111.7 | V141 C144 E145 L148 L181 E191 I192 E193 A197 L198 A199 | V141-L195 HydrophobicContact CG1-CB 4.17Å; V141-L195 HydrophobicContact CG1-CD2 4.49Å; V141-L195 HydrophobicContact CG2-CD2 4.17Å; C144-L195 HydrophobicContact CB-CD1 3.7Å; C144-L195 HydrophobicContact CB-CD2 3.91Å; C144-L195 HydrophobicContact CB-CG 4.47Å; E145-L195 HydrophobicContact CG-CD1 3.87Å; L148-L195 HydrophobicContact CD1-CD1 3.75Å; L181-L195 HydrophobicContact CD1-CD2 4.38Å; L181-L195 HydrophobicContact CD1-CG 4.19Å; L181-L195 HydrophobicContact CD2-CD2 3.94Å; E191-L195 PolarHBondContact O-N 3.32Å; I192-L195 PolarHBondContact O-N 2.86Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.04Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 3.31Å; L195-L198 PolarHBondContact O-N 2.98Å; L195-A199 WeakPolarHBondContact O-CB 3.35Å; L195-A199 PolarHBondContact O-N 2.88Å |
| 196 | C | 74 | Confident | 71.6 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 10% | 0.101 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 177.5 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | L182 I192 E193 L198 A199 M200 | L182-C196 HydrophobicContact CD2-CB 4.1Å; I192-C196 PolarHBondContact O-N 3.15Å; I192-C196 PolarHBondContact O-SG 3.37Å; E193-C196 PolarHBondContact O-N 3.4Å; C196-L198 PolarHBondContact O-N 2.88Å; C196-A199 PolarHBondContact O-N 3.15Å; C196-M200 WeakPolarHBondContact O-CG 3.48Å; C196-M200 PolarHBondContact O-N 3.01Å |
| 197 | A | 71.6 | Confident | 72.8 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E193 T194 L195 R201 | E193-A197 WeakPolarHBondContact O-CB 3.5Å; E193-A197 PolarHBondContact O-N 2.84Å; T194-A197 PolarHBondContact O-N 3.43Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 3.31Å; A197-R201 WeakPolarHBondContact O-CB 3.5Å; A197-R201 VanDerWaalsContact O-CG 3.22Å; A197-R201 WeakPolarHBondContact O-CG 3.41Å; A197-R201 PolarHBondContact O-N 3.14Å |
| 198 | L | 81.5 | Confident | 73.4 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 175.4 | -179.5 | 63.6 | 0 | 0 | 0 | 111.5 | E145 L148 T194 L195 C196 M200 R201 V202 | E145-L198 HydrophobicContact CB-CD2 4.03Å; E145-L198 HydrophobicContact CG-CD2 3.87Å; L148-L198 HydrophobicContact CB-CD2 4.09Å; L148-L198 HydrophobicContact CB-CG 4.28Å; L148-L198 HydrophobicContact CD1-CB 4.43Å; L148-L198 HydrophobicContact CD1-CD2 4.05Å; L148-L198 HydrophobicContact CD1-CG 4.03Å; T194-L198 WeakPolarHBondContact O-CB 3.44Å; T194-L198 PolarHBondContact O-N 3.33Å; L195-L198 PolarHBondContact O-N 2.98Å; C196-L198 PolarHBondContact O-N 2.88Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 2.99Å; L198-R201 WeakPolarHBondContact O-CB 3.42Å; L198-R201 PolarHBondContact O-N 2.9Å; L198-R201 VanDerWaalsContact O-N 3.15Å; L198-V202 HydrophobicContact CD1-CG2 4.1Å; L198-V202 HydrophobicContact CG-CG2 4.39Å; L198-V202 WeakPolarHBondContact O-CG2 3.33Å; L198-V202 PolarHBondContact O-N 3.2Å |
| 199 | A | 82 | Confident | 74.3 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L148 M174 V177 L181 L195 C196 V202 L203 | L148-A199 HydrophobicContact CD1-CB 3.89Å; L148-A199 HydrophobicContact CD2-CB 4.46Å; M174-A199 WeakPolarHBondContact CE-O 3.34Å; V177-A199 HydrophobicContact CG1-CB 4.24Å; L181-A199 HydrophobicContact CD1-CB 3.74Å; L195-A199 WeakPolarHBondContact O-CB 3.35Å; L195-A199 PolarHBondContact O-N 2.88Å; C196-A199 PolarHBondContact O-N 3.15Å; A199-V202 PolarHBondContact O-N 3.35Å; A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 PolarHBondContact O-N 2.76Å |
| 200 | M | 74.9 | Confident | 74.7 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 175 | -72.2 | -59.1 | -70.3 | 0 | 0 | 112.4 | L182 C196 L198 V202 L203 L204 T244 F248 | L182-M200 HydrophobicContact CD1-CG 4.49Å; L182-M200 HydrophobicContact CD1-SD 3.81Å; C196-M200 WeakPolarHBondContact O-CG 3.48Å; C196-M200 PolarHBondContact O-N 3.01Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 2.99Å; M200-V202 VanDerWaalsContact C-N 3.33Å; M200-V202 PolarHBondContact O-N 3.17Å; M200-L203 PolarHBondContact O-N 3.35Å; M200-L203 HydrophobicContact SD-CD2 4.3Å; M200-L204 WeakPolarHBondContact O-CB 3.35Å; M200-L204 VanDerWaalsContact O-CG 3.28Å; M200-L204 WeakPolarHBondContact O-CG 3.44Å; M200-L204 PolarHBondContact O-N 3.17Å; M200-T244 HydrophobicContact CB-CG2 4.28Å; M200-F248 HydrophobicContact CE-CD2 3.71Å; M200-F248 HydrophobicContact CE-CE2 3.97Å |
| 201 | R | 73.1 | Confident | 74.2 | Confident | 145 Ų | 145 | 31 Ų | 31 | 55% | 0.547 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 176.5 | -75.3 | 170 | -178.1 | 179.9 | 2.1 | 112.3 | A197 L198 F205 | A197-R201 WeakPolarHBondContact O-CB 3.5Å; A197-R201 VanDerWaalsContact O-CG 3.22Å; A197-R201 WeakPolarHBondContact O-CG 3.41Å; A197-R201 PolarHBondContact O-N 3.14Å; L198-R201 WeakPolarHBondContact O-CB 3.42Å; L198-R201 PolarHBondContact O-N 2.9Å; L198-R201 VanDerWaalsContact O-N 3.15Å; R201-F205 WeakPolarHBondContact O-CB 3.5Å; R201-F205 PolarHBondContact O-N 2.8Å |
| 202 | V | 81.2 | Confident | 73.5 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.1 | -41.1 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | L148 I151 K152 M174 L198 A199 M200 L204 F205 V206 | L148-V202 HydrophobicContact CB-CG2 4.2Å; L148-V202 HydrophobicContact CD2-CB 4.41Å; L148-V202 HydrophobicContact CD2-CG1 4.45Å; I151-V202 HydrophobicContact CB-CG1 4.46Å; I151-V202 HydrophobicContact CG2-CG1 4.1Å; K152-V202 HydrophobicContact CB-CG1 4.38Å; K152-V202 HydrophobicContact CB-CG2 4.2Å; K152-V202 HydrophobicContact CD-CG2 4.34Å; M174-V202 HydrophobicContact CE-CB 4Å; M174-V202 HydrophobicContact CE-CG1 3.96Å; M174-V202 HydrophobicContact SD-CG1 3.99Å; L198-V202 HydrophobicContact CD1-CG2 4.1Å; L198-V202 HydrophobicContact CG-CG2 4.39Å; L198-V202 WeakPolarHBondContact O-CG2 3.33Å; L198-V202 PolarHBondContact O-N 3.2Å; A199-V202 PolarHBondContact O-N 3.35Å; M200-V202 VanDerWaalsContact C-N 3.33Å; M200-V202 PolarHBondContact O-N 3.17Å; V202-L204 PolarHBondContact O-N 3.33Å; V202-F205 WeakPolarHBondContact O-CB 3.39Å; V202-F205 PolarHBondContact O-N 3.49Å; V202-V206 HydrophobicContact CG1-CG2 4.16Å; V202-V206 VanDerWaalsContact O-CG2 3.27Å; V202-V206 WeakPolarHBondContact O-CG2 3.28Å; V202-V206 PolarHBondContact O-N 3.42Å |
| 203 | L | 82 | Confident | 73 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.8 | -50.9 | 175.5 | 170.9 | 64 | 0 | 0 | 0 | 110.2 | L171 M174 L175 A178 A199 M200 F205 V206 W207 | L171-L203 HydrophobicContact CD1-CD1 4.09Å; M174-L203 HydrophobicContact CB-CB 4.21Å; M174-L203 HydrophobicContact CB-CD1 3.49Å; M174-L203 VanDerWaalsContact CB-CD1 3.49Å; M174-L203 HydrophobicContact CB-CG 4.43Å; M174-L203 HydrophobicContact CE-CB 3.94Å; L175-L203 HydrophobicContact CG-CD1 4.4Å; A178-L203 HydrophobicContact CB-CD2 4.03Å; A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 PolarHBondContact O-N 2.76Å; M200-L203 PolarHBondContact O-N 3.35Å; M200-L203 HydrophobicContact SD-CD2 4.3Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 3.49Å; L203-V206 PolarHBondContact O-N 3.22Å; L203-W207 HydrophobicContact CD1-CE3 3.93Å; L203-W207 HydrophobicContact CD1-CZ3 4.3Å; L203-W207 HydrophobicContact CG-CE3 4.49Å; L203-W207 WeakPolarHBondContact O-CB 3.47Å; L203-W207 PolarHBondContact O-N 2.7Å |
| 204 | L | 68.9 | Low | 72.6 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -40.3 | 177.6 | -69.2 | 175.3 | 0 | 0 | 0 | 112.1 | M200 V202 W207 L208 R247 F248 I251 | M200-L204 WeakPolarHBondContact O-CB 3.35Å; M200-L204 VanDerWaalsContact O-CG 3.28Å; M200-L204 WeakPolarHBondContact O-CG 3.44Å; M200-L204 PolarHBondContact O-N 3.17Å; V202-L204 PolarHBondContact O-N 3.33Å; L204-W207 PolarHBondContact O-N 2.82Å; L204-L208 WeakPolarHBondContact O-CG 3.37Å; L204-L208 PolarHBondContact O-N 3.39Å; L204-R247 HydrophobicContact CD1-CB 4.48Å; L204-F248 HydrophobicContact CD2-CD2 4.19Å; L204-I251 HydrophobicContact CB-CD1 4.17Å; L204-I251 HydrophobicContact CD1-CD1 4.21Å; L204-I251 HydrophobicContact CD2-CB 4.45Å; L204-I251 HydrophobicContact CD2-CD1 3.81Å; L204-I251 HydrophobicContact CD2-CG2 4.47Å; L204-I251 HydrophobicContact CG-CD1 4.28Å |
| 205 | F | 76.7 | Confident | 71.9 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 23% | 0.232 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -49.1 | 176.8 | 177.8 | -102.3 | 0 | 0 | 0 | 112.2 | K152 V155 P156 R201 V202 L203 W207 L208 Q209 | K152-F205 HydrophobicContact CG-CD1 3.97Å; K152-F205 HydrophobicContact CG-CE1 3.98Å; K152-F205 WeakPolarHBondContact O-CE1 3.46Å; V155-F205 HydrophobicContact CB-CE1 4.16Å; V155-F205 HydrophobicContact CG1-CE1 4.12Å; P156-F205 HydrophobicContact CG-CE1 4.03Å; P156-F205 HydrophobicContact CG-CZ 3.69Å; R201-F205 WeakPolarHBondContact O-CB 3.5Å; R201-F205 PolarHBondContact O-N 2.8Å; V202-F205 WeakPolarHBondContact O-CB 3.39Å; V202-F205 PolarHBondContact O-N 3.49Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 3.49Å; F205-W207 VanDerWaalsContact C-N 3.28Å; F205-W207 PolarHBondContact O-N 3.45Å; F205-L208 PolarHBondContact O-N 3.41Å; F205-Q209 HydrophobicContact CD1-CG 4.49Å; F205-Q209 HydrophobicContact CE1-CG 4.2Å; F205-Q209 HydrophobicContact CE2-CG 4.31Å; F205-Q209 HydrophobicContact CZ-CG 4.13Å; F205-Q209 VanDerWaalsContact O-CG 3.28Å; F205-Q209 WeakPolarHBondContact O-CG 3.22Å; F205-Q209 PolarHBondContact O-N 2.8Å |
| 206 | V | 80.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | I151 V155 M170 L171 M174 V202 L203 Q209 A210 | I151-V206 HydrophobicContact CG2-CG2 3.84Å; V155-V206 HydrophobicContact CG2-CG2 3.88Å; M170-V206 HydrophobicContact CB-CG1 4.03Å; L171-V206 HydrophobicContact CB-CG1 4.45Å; L171-V206 HydrophobicContact CD1-CB 4.48Å; L171-V206 HydrophobicContact CD1-CG1 4.11Å; M174-V206 HydrophobicContact CG-CG2 4.25Å; V202-V206 HydrophobicContact CG1-CG2 4.16Å; V202-V206 VanDerWaalsContact O-CG2 3.27Å; V202-V206 WeakPolarHBondContact O-CG2 3.28Å; V202-V206 PolarHBondContact O-N 3.42Å; L203-V206 PolarHBondContact O-N 3.22Å; V206-Q209 PolarHBondContact O-N 3.16Å; V206-A210 WeakPolarHBondContact O-CB 3.29Å; V206-A210 PolarHBondContact O-N 3.37Å |
| 207 | W | 75.8 | Confident | 70.6 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 178.5 | -153.3 | -56.9 | 0 | 0 | 0 | 112.4 | L171 L175 L203 L204 F205 Q209 A210 C211 W221 L224 F252 | L171-W207 HydrophobicContact CD1-CB 3.84Å; L171-W207 HydrophobicContact CD1-CD2 3.7Å; L171-W207 HydrophobicContact CD1-CE3 3.37Å; L171-W207 HydrophobicContact CD1-CG 3.95Å; L171-W207 HydrophobicContact CD1-CZ3 3.99Å; L171-W207 HydrophobicContact CD2-CD2 3.92Å; L171-W207 HydrophobicContact CD2-CE3 4.03Å; L171-W207 HydrophobicContact CD2-CG 4.37Å; L171-W207 HydrophobicContact CD2-CH2 4.27Å; L171-W207 HydrophobicContact CD2-CZ2 4.24Å; L171-W207 HydrophobicContact CD2-CZ3 4.17Å; L171-W207 HydrophobicContact CG-CD2 4.26Å; L171-W207 HydrophobicContact CG-CE3 3.92Å; L171-W207 HydrophobicContact CG-CZ3 4.07Å; L175-W207 HydrophobicContact CD1-CH2 4.18Å; L175-W207 HydrophobicContact CD1-CZ3 3.98Å; L175-W207 HydrophobicContact CD2-CH2 4.42Å; L175-W207 HydrophobicContact CD2-CZ3 3.81Å; L175-W207 HydrophobicContact CG-CZ3 3.95Å; L203-W207 HydrophobicContact CD1-CE3 3.93Å; L203-W207 HydrophobicContact CD1-CZ3 4.3Å; L203-W207 HydrophobicContact CG-CE3 4.49Å; L203-W207 WeakPolarHBondContact O-CB 3.47Å; L203-W207 PolarHBondContact O-N 2.7Å; L204-W207 PolarHBondContact O-N 2.82Å; F205-W207 VanDerWaalsContact C-N 3.28Å; F205-W207 PolarHBondContact O-N 3.45Å; W207-Q209 VanDerWaalsContact C-N 3.34Å; W207-Q209 PolarHBondContact O-N 3.46Å; W207-A210 WeakPolarHBondContact O-CB 3.07Å; W207-A210 PolarHBondContact O-N 3.3Å; W207-C211 PolarHBondContact O-N 2.93Å; W207-C211 PolarHBondContact O-SG 3.49Å; W207-W221 AromaticContact CD1-CH2 3.93Å; W207-W221 AromaticContact CE2-CH2 3.79Å; W207-W221 AromaticContact CE2-CZ3 3.58Å; W207-W221 AromaticContact CZ2-CD2 3.99Å; W207-W221 HydrophobicContact CZ2-CD2 3.99Å; W207-W221 AromaticContact CZ2-CE3 3.61Å; W207-W221 HydrophobicContact CZ2-CE3 3.61Å; W207-W221 HydrophobicContact CZ2-CH2 4.11Å; W207-W221 HydrophobicContact CZ2-CZ2 4.46Å; W207-W221 AromaticContact CZ2-CZ3 3.6Å; W207-W221 HydrophobicContact CZ2-CZ3 3.6Å; W207-W221 AromaticContact NE1-CH2 2.97Å; W207-W221 AromaticContact NE1-CZ2 3.56Å; W207-W221 AromaticContact NE1-CZ3 3.22Å; W207-L224 HydrophobicContact CE3-CD2 4.43Å; W207-L224 HydrophobicContact CH2-CB 3.74Å; W207-L224 HydrophobicContact CH2-CD1 4.42Å; W207-L224 HydrophobicContact CH2-CD2 3.77Å; W207-L224 HydrophobicContact CH2-CG 4.18Å; W207-L224 HydrophobicContact CZ2-CD2 4.09Å; W207-L224 HydrophobicContact CZ3-CB 4.15Å; W207-L224 HydrophobicContact CZ3-CD1 4Å; W207-L224 HydrophobicContact CZ3-CD2 3.96Å; W207-L224 HydrophobicContact CZ3-CG 4.26Å; W207-F252 HydrophobicContact CB-CE2 4.28Å; W207-F252 AromaticContact CD1-CE2 3.34Å; W207-F252 AromaticContact CD1-CZ 3.18Å; W207-F252 AromaticContact CD2-CE2 3.77Å; W207-F252 HydrophobicContact CD2-CE2 3.77Å; W207-F252 HydrophobicContact CD2-CZ 4.33Å; W207-F252 AromaticContact CE2-CE2 3.8Å; W207-F252 AromaticContact CG-CE2 3.52Å; W207-F252 HydrophobicContact CG-CE2 3.52Å; W207-F252 AromaticContact CG-CZ 3.86Å; W207-F252 HydrophobicContact CG-CZ 3.86Å; W207-F252 AromaticContact NE1-CE2 3.46Å; W207-F252 AromaticContact NE1-CZ 3.28Å; W207-F252 VanDerWaalsContact NE1-CZ 3.28Å |
| 208 | L | 64.1 | Low | 70.1 | Confident | 81 Ų | 81 | 40 Ų | 40 | 42% | 0.424 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.7 | -73.7 | 171.6 | 0 | 0 | 0 | 111.6 | L204 F205 A210 C211 V212 I251 | L204-L208 WeakPolarHBondContact O-CG 3.37Å; L204-L208 PolarHBondContact O-N 3.39Å; F205-L208 PolarHBondContact O-N 3.41Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-C211 PolarHBondContact O-N 2.96Å; L208-V212 VanDerWaalsContact O-CG2 3.31Å; L208-V212 WeakPolarHBondContact O-CG2 3.32Å; L208-V212 PolarHBondContact O-N 3.47Å; L208-I251 HydrophobicContact CD1-CD1 4Å; L208-I251 HydrophobicContact CD2-CD1 4.48Å; L208-I251 HydrophobicContact CD2-CG2 4.3Å; L208-I251 HydrophobicContact CG-CD1 4.33Å |
| 209 | Q | 72.1 | Confident | 69.4 | Low | 40 Ų | 40 | 40.1 Ų | 40.1 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 174.9 | -67.8 | -65 | -21.9 | 0 | 0 | 111.5 | V155 F205 V206 W207 V212 H213 | V155-Q209 HydrophobicContact CG1-CB 3.57Å; V155-Q209 HydrophobicContact CG1-CG 3.67Å; F205-Q209 HydrophobicContact CD1-CG 4.49Å; F205-Q209 HydrophobicContact CE1-CG 4.2Å; F205-Q209 HydrophobicContact CE2-CG 4.31Å; F205-Q209 HydrophobicContact CZ-CG 4.13Å; F205-Q209 VanDerWaalsContact O-CG 3.28Å; F205-Q209 WeakPolarHBondContact O-CG 3.22Å; F205-Q209 PolarHBondContact O-N 2.8Å; V206-Q209 PolarHBondContact O-N 3.16Å; W207-Q209 VanDerWaalsContact C-N 3.34Å; W207-Q209 PolarHBondContact O-N 3.46Å; Q209-V212 PolarHBondContact O-N 2.98Å; Q209-H213 PolarHBondContact O-CD2 2.85Å; Q209-H213 PolarHBondContact O-N 2.99Å; Q209-H213 VanDerWaalsContact O-N 3.15Å |
| 210 | A | 70.4 | Confident | 68.8 | Low | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -52.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L167 V206 W207 L208 V212 H213 H214 P216 | L167-A210 HydrophobicContact CB-CB 4.4Å; V206-A210 WeakPolarHBondContact O-CB 3.29Å; V206-A210 PolarHBondContact O-N 3.37Å; W207-A210 WeakPolarHBondContact O-CB 3.07Å; W207-A210 PolarHBondContact O-N 3.3Å; L208-A210 VanDerWaalsContact C-N 3.33Å; A210-V212 PolarHBondContact O-N 3.38Å; A210-V212 VanDerWaalsContact O-N 3.11Å; A210-H213 PolarHBondContact O-N 3.23Å; A210-H213 VanDerWaalsContact O-N 3.08Å; A210-H214 CarbonylContact C-O 3.6Å; A210-H214 VanDerWaalsContact C-O 3.27Å; A210-H214 CarbonylContact O-C 3.56Å; A210-H214 WeakPolarHBondContact O-CA 3.34Å; A210-H214 PolarHBondContact O-N 2.94Å; A210-P216 HydrophobicContact CB-CG 3.95Å |
| 211 | C | 59.5 | Low | 68.2 | Low | 29 Ų | 29 | 42.2 Ų | 42.2 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -34.6 | 177.8 | -70.1 | 0 | 0 | 0 | 0 | 114.4 | W207 L208 | W207-C211 PolarHBondContact O-N 2.93Å; W207-C211 PolarHBondContact O-SG 3.49Å; L208-C211 PolarHBondContact O-N 2.96Å |
| 212 | V | 57.5 | Low | 67.6 | Low | 61 Ų | 61 | 36.4 Ų | 36.4 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -71 | -38 | 178.5 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | L208 Q209 A210 | L208-V212 VanDerWaalsContact O-CG2 3.31Å; L208-V212 WeakPolarHBondContact O-CG2 3.32Å; L208-V212 PolarHBondContact O-N 3.47Å; Q209-V212 PolarHBondContact O-N 2.98Å; A210-V212 PolarHBondContact O-N 3.38Å; A210-V212 VanDerWaalsContact O-N 3.11Å |
| 213 | H | 63.5 | Low | 66.9 | Low | 85 Ų | 85 | 36.5 Ų | 36.5 | 39% | 0.394 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -102.7 | -39 | -172.8 | -66.7 | -65.7 | 0 | 0 | 0 | 113.5 | Q163 L167 Q209 A210 | Q163-H213 HydrophobicContact CB-CB 4.47Å; Q163-H213 PolarHBondContact OE1-ND1 2.91Å; Q163-H213 VanDerWaalsContact OE1-ND1 3.14Å; L167-H213 HydrophobicContact CD1-CB 4.03Å; Q209-H213 PolarHBondContact O-CD2 2.85Å; Q209-H213 PolarHBondContact O-N 2.99Å; Q209-H213 VanDerWaalsContact O-N 3.15Å; A210-H213 PolarHBondContact O-N 3.23Å; A210-H213 VanDerWaalsContact O-N 3.08Å |
| 214 | H | 59.9 | Low | 66 | Low | 89 Ų | 89 | 37.1 Ų | 37.1 | 41% | 0.412 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -156.4 | 105 | -178.9 | -168.7 | 67.6 | 0 | 0 | 0 | 112 | A210 P216 | A210-H214 CarbonylContact C-O 3.6Å; A210-H214 VanDerWaalsContact C-O 3.27Å; A210-H214 CarbonylContact O-C 3.56Å; A210-H214 WeakPolarHBondContact O-CA 3.34Å; A210-H214 PolarHBondContact O-N 2.94Å; H214-P216 WeakPolarHBondContact O-CD 3.45Å |
| 215 | Y | 62 | Low | 65.3 | Low | 78 Ų | 78 | 41.2 Ų | 41.2 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 123.6 | -176.6 | -166.1 | -91.4 | 0 | 0 | 0 | 111.9 | W221 I311 L315 | Y215-W221 AromaticContact CE1-CE2 3.89Å; Y215-W221 AromaticContact CE1-CZ2 3.79Å; Y215-W221 HydrophobicContact CE1-CZ2 3.79Å; Y215-W221 AromaticContact CE1-NE1 3.55Å; Y215-W221 HydrophobicContact CE2-CZ2 4.02Å; Y215-W221 AromaticContact CZ-CE2 3.98Å; Y215-W221 AromaticContact CZ-CZ2 3.48Å; Y215-W221 VanDerWaalsContact CZ-CZ2 3.48Å; Y215-W221 WeakPolarHBondContact OH-CZ2 3.48Å; Y215-I311 HydrophobicContact CE2-CG2 4.25Å; Y215-I311 VanDerWaalsContact OH-CG2 3.28Å; Y215-I311 WeakPolarHBondContact OH-CG2 3.29Å; Y215-L315 HydrophobicContact CD1-CD2 4.34Å; Y215-L315 HydrophobicContact CE1-CD2 3.87Å |
| 216 | P | 62.5 | Low | 64.4 | Low | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 139.1 | -177.3 | -27.4 | 35.6 | 0 | 0 | 0 | 113.1 | L171 A210 H214 Y220 W221 | L171-P216 HydrophobicContact CD2-CB 3.89Å; L171-P216 HydrophobicContact CD2-CG 3.7Å; A210-P216 HydrophobicContact CB-CG 3.95Å; H214-P216 WeakPolarHBondContact O-CD 3.45Å; P216-Y220 HydrophobicContact CB-CD2 4.42Å; P216-Y220 HydrophobicContact CB-CG 4.21Å; P216-W221 HydrophobicContact CB-CZ2 4.37Å; P216-W221 HydrophobicContact CG-CZ2 4.36Å; P216-W221 PolarHBondContact O-NE1 3.18Å |
| 217 | A | 63.7 | Low | 63.2 | Low | 49 Ų | 49 | 41.8 Ų | 41.8 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 154.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A219 Y220 W221 | A217-A219 PolarHBondContact O-N 3.05Å; A217-Y220 HydrophobicContact CB-CD2 4.03Å; A217-Y220 HydrophobicContact CB-CE2 4.3Å; A217-Y220 WeakPolarHBondContact O-CB 3.42Å; A217-Y220 WeakPolarHBondContact O-CD2 3.14Å; A217-Y220 PolarHBondContact O-N 3.37Å; A217-W221 VanDerWaalsContact O-CD1 3.31Å |
| 218 | P | 60.6 | Low | 61.6 | Low | 59 Ų | 59 | 46.8 Ų | 46.8 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -43.2 | -38.6 | 178.7 | -36.2 | 39.7 | 0 | 0 | 0 | 117.2 | W8 Y220 W221 K222 | W8-P218 HydrophobicContact CD2-CB 3.48Å; W8-P218 VanDerWaalsContact CD2-CB 3.48Å; W8-P218 HydrophobicContact CE3-CB 3.49Å; W8-P218 VanDerWaalsContact CE3-CB 3.49Å; W8-P218 HydrophobicContact CG-CB 4.19Å; W8-P218 HydrophobicContact CH2-CB 3.64Å; W8-P218 HydrophobicContact CH2-CG 4.13Å; W8-P218 HydrophobicContact CZ2-CB 3.62Å; W8-P218 HydrophobicContact CZ2-CG 3.98Å; W8-P218 HydrophobicContact CZ3-CB 3.56Å; W8-P218 HydrophobicContact CZ3-CG 4.49Å; P218-Y220 VanDerWaalsContact C-N 3.31Å; P218-Y220 PolarHBondContact O-N 3.24Å; P218-W221 WeakPolarHBondContact O-CB 2.96Å; P218-W221 PolarHBondContact O-N 3.42Å; P218-K222 PolarHBondContact O-N 3.15Å; P218-K222 VanDerWaalsContact O-N 3.16Å |
| 219 | A | 67 | Low | 60.8 | Low | 24 Ų | 24 | 45.1 Ų | 45.1 | 20% | 0.198 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A9 L11 A217 K222 T223 | A9-A219 VanDerWaalsContact O-CB 3.24Å; A9-A219 WeakPolarHBondContact O-CB 3.35Å; L11-A219 HydrophobicContact CD2-CB 4.16Å; L11-A219 HydrophobicContact CG-CB 4.16Å; A217-A219 PolarHBondContact O-N 3.05Å; A219-K222 PolarHBondContact O-N 3.41Å; A219-T223 WeakPolarHBondContact O-CB 3.23Å; A219-T223 PolarHBondContact O-N 3.48Å; A219-T223 PolarHBondContact O-OG1 3.39Å |
| 220 | Y | 68.7 | Low | 59.1 | Low | 21 Ų | 21 | 50.7 Ų | 50.7 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.3 | -71.7 | -93.2 | 0 | 0 | 0 | 111.2 | L11 P168 L171 K172 L175 P216 A217 P218 T223 L224 | L11-Y220 HydrophobicContact CD1-CD1 3.37Å; L11-Y220 HydrophobicContact CD1-CD2 3.99Å; L11-Y220 HydrophobicContact CD1-CE1 3.54Å; L11-Y220 HydrophobicContact CD1-CE2 4.12Å; L11-Y220 HydrophobicContact CD1-CG 3.61Å; L11-Y220 HydrophobicContact CD2-CE2 4.45Å; P168-Y220 HydrophobicContact CB-CE2 4.39Å; P168-Y220 VanDerWaalsContact CB-OH 3.23Å; P168-Y220 WeakPolarHBondContact CB-OH 3.32Å; P168-Y220 WeakPolarHBondContact O-CE1 3.18Å; P168-Y220 PolarHBondContact O-OH 3.17Å; L171-Y220 HydrophobicContact CB-CD1 4.27Å; L171-Y220 HydrophobicContact CB-CE1 4.11Å; L171-Y220 HydrophobicContact CD2-CD1 3.69Å; L171-Y220 HydrophobicContact CD2-CE1 4.24Å; L171-Y220 HydrophobicContact CD2-CG 4.25Å; L171-Y220 HydrophobicContact CG-CD1 4.01Å; L171-Y220 HydrophobicContact CG-CE1 4.37Å; K172-Y220 HydrophobicContact CB-CE1 4.05Å; L175-Y220 HydrophobicContact CD1-CD1 4.09Å; P216-Y220 HydrophobicContact CB-CD2 4.42Å; P216-Y220 HydrophobicContact CB-CG 4.21Å; A217-Y220 HydrophobicContact CB-CD2 4.03Å; A217-Y220 HydrophobicContact CB-CE2 4.3Å; A217-Y220 WeakPolarHBondContact O-CB 3.42Å; A217-Y220 WeakPolarHBondContact O-CD2 3.14Å; A217-Y220 PolarHBondContact O-N 3.37Å; P218-Y220 VanDerWaalsContact C-N 3.31Å; P218-Y220 PolarHBondContact O-N 3.24Å; Y220-T223 PolarHBondContact O-N 3.3Å; Y220-L224 WeakPolarHBondContact O-CB 3.48Å; Y220-L224 PolarHBondContact O-N 2.8Å |
| 221 | W | 63.3 | Low | 57.5 | Low | 44 Ų | 44 | 54.1 Ų | 54.1 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 178.5 | -58.2 | 101.1 | 0 | 0 | 0 | 112.4 | W207 Y215 P216 A217 P218 L224 N225 F252 | W207-W221 AromaticContact CD1-CH2 3.93Å; W207-W221 AromaticContact CE2-CH2 3.79Å; W207-W221 AromaticContact CE2-CZ3 3.58Å; W207-W221 AromaticContact CZ2-CD2 3.99Å; W207-W221 HydrophobicContact CZ2-CD2 3.99Å; W207-W221 AromaticContact CZ2-CE3 3.61Å; W207-W221 HydrophobicContact CZ2-CE3 3.61Å; W207-W221 HydrophobicContact CZ2-CH2 4.11Å; W207-W221 HydrophobicContact CZ2-CZ2 4.46Å; W207-W221 AromaticContact CZ2-CZ3 3.6Å; W207-W221 HydrophobicContact CZ2-CZ3 3.6Å; W207-W221 AromaticContact NE1-CH2 2.97Å; W207-W221 AromaticContact NE1-CZ2 3.56Å; W207-W221 AromaticContact NE1-CZ3 3.22Å; Y215-W221 AromaticContact CE1-CE2 3.89Å; Y215-W221 AromaticContact CE1-CZ2 3.79Å; Y215-W221 HydrophobicContact CE1-CZ2 3.79Å; Y215-W221 AromaticContact CE1-NE1 3.55Å; Y215-W221 HydrophobicContact CE2-CZ2 4.02Å; Y215-W221 AromaticContact CZ-CE2 3.98Å; Y215-W221 AromaticContact CZ-CZ2 3.48Å; Y215-W221 VanDerWaalsContact CZ-CZ2 3.48Å; Y215-W221 WeakPolarHBondContact OH-CZ2 3.48Å; P216-W221 HydrophobicContact CB-CZ2 4.37Å; P216-W221 HydrophobicContact CG-CZ2 4.36Å; P216-W221 PolarHBondContact O-NE1 3.18Å; A217-W221 VanDerWaalsContact O-CD1 3.31Å; P218-W221 WeakPolarHBondContact O-CB 2.96Å; P218-W221 PolarHBondContact O-N 3.42Å; W221-L224 PolarHBondContact O-N 3.2Å; W221-N225 PolarHBondContact O-N 3.08Å; W221-N225 VanDerWaalsContact O-N 3.15Å; W221-F252 HydrophobicContact CE3-CD1 4.13Å; W221-F252 HydrophobicContact CE3-CE1 4.34Å; W221-F252 HydrophobicContact CE3-CG 4.5Å; W221-F252 AromaticContact CH2-CD1 3.63Å; W221-F252 HydrophobicContact CH2-CD1 3.63Å; W221-F252 AromaticContact CH2-CE1 3.03Å; W221-F252 HydrophobicContact CH2-CE1 3.03Å; W221-F252 HydrophobicContact CH2-CE2 4.16Å; W221-F252 HydrophobicContact CH2-CG 4.49Å; W221-F252 AromaticContact CH2-CZ 3.32Å; W221-F252 HydrophobicContact CH2-CZ 3.32Å; W221-F252 HydrophobicContact CZ2-CE1 4.37Å; W221-F252 AromaticContact CZ3-CD1 3.11Å; W221-F252 HydrophobicContact CZ3-CD1 3.11Å; W221-F252 AromaticContact CZ3-CD2 3.97Å; W221-F252 HydrophobicContact CZ3-CD2 3.97Å; W221-F252 AromaticContact CZ3-CE1 3.04Å; W221-F252 HydrophobicContact CZ3-CE1 3.04Å; W221-F252 AromaticContact CZ3-CE2 3.8Å; W221-F252 HydrophobicContact CZ3-CE2 3.8Å; W221-F252 AromaticContact CZ3-CG 3.65Å; W221-F252 HydrophobicContact CZ3-CG 3.65Å; W221-F252 AromaticContact CZ3-CZ 3.37Å; W221-F252 HydrophobicContact CZ3-CZ 3.37Å |
| 222 | K | 60 | Low | 56.7 | Low | 24 Ų | 24 | 56.3 Ų | 56.3 | 10% | 0.104 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.3 | -174.4 | 177.8 | 177.5 | 173.3 | 0 | 111.3 | Y5 K6 W8 E10 P218 A219 L224 N225 S226 | Y5-K222 HydrophobicContact CE1-CG 4.3Å; Y5-K222 HydrophobicContact CE2-CB 4.2Å; Y5-K222 HydrophobicContact CE2-CG 4.34Å; Y5-K222 WeakPolarHBondContact O-CD 3.45Å; Y5-K222 WeakPolarHBondContact O-CE 3.45Å; Y5-K222 PolarHBondContact O-NZ 2.89Å; K6-K222 PolarHBondContact O-NZ 2.86Å; W8-K222 HydrophobicContact CB-CD 3.92Å; W8-K222 WeakPolarHBondContact O-CD 3.48Å; W8-K222 WeakPolarHBondContact O-CE 3.4Å; W8-K222 PolarHBondContact O-NZ 3.36Å; E10-K222 HydrophobicContact CG-CD 3.95Å; E10-K222 HydrophobicContact CG-CG 3.99Å; P218-K222 PolarHBondContact O-N 3.15Å; P218-K222 VanDerWaalsContact O-N 3.16Å; A219-K222 PolarHBondContact O-N 3.41Å; K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.06Å; K222-N225 CarbonylContact O-C 3.57Å; K222-N225 WeakPolarHBondContact O-CB 3.35Å; K222-N225 PolarHBondContact O-N 3.02Å; K222-N225 VanDerWaalsContact O-N 3.09Å; K222-S226 PolarHBondContact O-N 2.66Å; K222-S226 PolarHBondContact O-OG 2.84Å |
| 223 | T | 66.6 | Low | 55.7 | Low | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.5 | -48.2 | 0 | 0 | 0 | 0 | 111.6 | L11 L13 L175 A219 Y220 N225 S226 C227 | L11-T223 HydrophobicContact CB-CG2 4.23Å; L11-T223 PolarHBondContact N-OG1 3.14Å; L13-T223 HydrophobicContact CD1-CG2 3.56Å; L13-T223 HydrophobicContact CD2-CG2 4.21Å; L13-T223 HydrophobicContact CG-CG2 3.95Å; L175-T223 HydrophobicContact CD1-CG2 4.47Å; A219-T223 WeakPolarHBondContact O-CB 3.23Å; A219-T223 PolarHBondContact O-N 3.48Å; A219-T223 PolarHBondContact O-OG1 3.39Å; Y220-T223 PolarHBondContact O-N 3.3Å; T223-N225 VanDerWaalsContact C-N 3.27Å; T223-N225 PolarHBondContact O-N 3.42Å; T223-S226 WeakPolarHBondContact CA-OG 3.46Å; T223-S226 PolarHBondContact O-N 3.1Å; T223-S226 PolarHBondContact O-OG 2.76Å; T223-C227 WeakPolarHBondContact O-CB 3.48Å; T223-C227 PolarHBondContact O-N 3.41Å; T223-C227 PolarHBondContact O-SG 3.16Å |
| 224 | L | 63.3 | Low | 54.6 | Low | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 174.5 | -177.8 | 68 | 0 | 0 | 0 | 112.2 | L175 W207 Y220 W221 K222 F248 F252 | L175-L224 HydrophobicContact CD2-CB 4.12Å; L175-L224 HydrophobicContact CD2-CD1 3.74Å; W207-L224 HydrophobicContact CE3-CD2 4.43Å; W207-L224 HydrophobicContact CH2-CB 3.74Å; W207-L224 HydrophobicContact CH2-CD1 4.42Å; W207-L224 HydrophobicContact CH2-CD2 3.77Å; W207-L224 HydrophobicContact CH2-CG 4.18Å; W207-L224 HydrophobicContact CZ2-CD2 4.09Å; W207-L224 HydrophobicContact CZ3-CB 4.15Å; W207-L224 HydrophobicContact CZ3-CD1 4Å; W207-L224 HydrophobicContact CZ3-CD2 3.96Å; W207-L224 HydrophobicContact CZ3-CG 4.26Å; Y220-L224 WeakPolarHBondContact O-CB 3.48Å; Y220-L224 PolarHBondContact O-N 2.8Å; W221-L224 PolarHBondContact O-N 3.2Å; K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.06Å; L224-F248 HydrophobicContact CD1-CE2 4.2Å; L224-F248 HydrophobicContact CD1-CZ 4.35Å; L224-F248 HydrophobicContact CG-CZ 4.45Å; L224-F252 HydrophobicContact CD2-CB 4.32Å; L224-F252 HydrophobicContact CD2-CD2 3.91Å; L224-F252 HydrophobicContact CD2-CG 4.33Å |
| 225 | N | 55 | Low | 53.7 | Low | 102 Ų | 102 | 59.6 Ų | 59.6 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.9 | -40.9 | 177.9 | -169.4 | 49.7 | 0 | 0 | 0 | 112.4 | Y5 W221 K222 T223 C227 D228 | Y5-N225 WeakPolarHBondContact OH-CB 3.24Å; Y5-N225 PolarHBondContact OH-ND2 2.78Å; W221-N225 PolarHBondContact O-N 3.08Å; W221-N225 VanDerWaalsContact O-N 3.15Å; K222-N225 CarbonylContact O-C 3.57Å; K222-N225 WeakPolarHBondContact O-CB 3.35Å; K222-N225 PolarHBondContact O-N 3.02Å; K222-N225 VanDerWaalsContact O-N 3.09Å; T223-N225 VanDerWaalsContact C-N 3.27Å; T223-N225 PolarHBondContact O-N 3.42Å; N225-C227 VanDerWaalsContact C-N 3.31Å; N225-D228 PolarHBondContact O-N 3.03Å |
| 226 | S | 56.5 | Low | 52.5 | Low | 36 Ų | 36 | 58.2 Ų | 58.2 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76 | -15.7 | 179.7 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | E10 K222 T223 D228 | E10-S226 VanDerWaalsContact CD-CB 3.47Å; E10-S226 WeakPolarHBondContact OE1-CB 3.41Å; E10-S226 PolarHBondContact OE1-OG 3.2Å; E10-S226 WeakPolarHBondContact OE2-CB 3.22Å; E10-S226 PolarHBondContact OE2-OG 3.34Å; K222-S226 PolarHBondContact O-N 2.66Å; K222-S226 PolarHBondContact O-OG 2.84Å; T223-S226 WeakPolarHBondContact CA-OG 3.46Å; T223-S226 PolarHBondContact O-N 3.1Å; T223-S226 PolarHBondContact O-OG 2.76Å; S226-D228 PolarHBondContact O-N 3.4Å |
| 227 | C | 56 | Low | 51.7 | Low | 28 Ų | 28 | 61 Ų | 61 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 6.1 | 166.7 | -82.1 | 0 | 0 | 0 | 0 | 113.8 | T223 N225 L229 | T223-C227 WeakPolarHBondContact O-CB 3.48Å; T223-C227 PolarHBondContact O-N 3.41Å; T223-C227 PolarHBondContact O-SG 3.16Å; N225-C227 VanDerWaalsContact C-N 3.31Å; C227-L229 VanDerWaalsContact C-N 3.35Å; C227-L229 PolarHBondContact O-N 3.28Å |
| 228 | D | 41.7 | Very low | 50.5 | Low | 107 Ų | 107 | 65 Ų | 65 | 57% | 0.572 | 38% | 0.378 | S | S | * | . | trans | 26.1 | 72.3 | 167.2 | -91 | -20.5 | 0 | 0 | 0 | 110.2 | N225 S226 E230 | N225-D228 PolarHBondContact O-N 3.03Å; S226-D228 PolarHBondContact O-N 3.4Å; D228-E230 HydrophobicContact CB-CG 4.26Å; D228-E230 PolarHBondContact O-N 3.43Å | ||
| 229 | L | 46.3 | Very low | 49.7 | Very low | 46 Ų | 46 | 67.9 Ų | 67.9 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | trans | -63.2 | 30 | 172.9 | -83.6 | 123.9 | 0 | 0 | 0 | 111.4 | L182 C227 L231 L232 F248 | L182-L229 HydrophobicContact CD1-CD2 3.75Å; C227-L229 VanDerWaalsContact C-N 3.35Å; C227-L229 PolarHBondContact O-N 3.28Å; L229-L231 PolarHBondContact O-N 3.14Å; L229-L232 HydrophobicContact CB-CD1 4.25Å; L229-L232 WeakPolarHBondContact O-CD1 3.14Å; L229-L232 WeakPolarHBondContact O-CG 3.49Å; L229-L232 PolarHBondContact O-N 3.15Å; L229-F248 HydrophobicContact CD1-CZ 4.13Å | ||
| 230 | E | 36.4 | Very low | 48.6 | Very low | 156 Ų | 156 | 68.6 Ų | 68.6 | 73% | 0.729 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -59.5 | -7.1 | 176.9 | -70.9 | -159.3 | 140.8 | 0 | 0 | 113.3 | D228 L232 | D228-E230 HydrophobicContact CB-CG 4.26Å; D228-E230 PolarHBondContact O-N 3.43Å; E230-L232 PolarHBondContact O-N 3.44Å; E230-L232 VanDerWaalsContact O-N 3.15Å |
| 231 | L | 37.9 | Very low | 47.3 | Very low | 75 Ų | 75 | 70 Ų | 70 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -74.9 | 9.3 | 171.3 | -99.5 | 126.8 | 0 | 0 | 0 | 115.8 | L182 A183 P185 L229 S233 | L182-L231 WeakPolarHBondContact O-CD1 3.18Å; A183-L231 VanDerWaalsContact C-CD1 3.42Å; A183-L231 WeakPolarHBondContact O-CD1 3.29Å; P185-L231 VanDerWaalsContact CA-CD2 3.47Å; P185-L231 HydrophobicContact CB-CD2 3.81Å; P185-L231 HydrophobicContact CG-CD2 4.42Å; P185-L231 VanDerWaalsContact N-CD2 3.3Å; L229-L231 PolarHBondContact O-N 3.14Å; L231-S233 PolarHBondContact O-N 2.69Å |
| 232 | L | 41.4 | Very low | 46.1 | Very low | 74 Ų | 74 | 71.1 Ų | 71.1 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -75.2 | 3 | 174.2 | -67.9 | 169.3 | 0 | 0 | 0 | 114.5 | L229 E230 F241 W245 | L229-L232 HydrophobicContact CB-CD1 4.25Å; L229-L232 WeakPolarHBondContact O-CD1 3.14Å; L229-L232 WeakPolarHBondContact O-CG 3.49Å; L229-L232 PolarHBondContact O-N 3.15Å; E230-L232 PolarHBondContact O-N 3.44Å; E230-L232 VanDerWaalsContact O-N 3.15Å; L232-F241 HydrophobicContact CB-CE2 4.25Å; L232-F241 HydrophobicContact CB-CZ 4.19Å; L232-F241 HydrophobicContact CD1-CE2 3.44Å; L232-F241 VanDerWaalsContact CD1-CE2 3.44Å; L232-F241 HydrophobicContact CD1-CZ 3.61Å; L232-F241 HydrophobicContact CD2-CD2 3.34Å; L232-F241 HydrophobicContact CD2-CE2 3Å; L232-F241 HydrophobicContact CD2-CG 4.37Å; L232-F241 HydrophobicContact CD2-CZ 3.79Å; L232-F241 HydrophobicContact CG-CD2 4.42Å; L232-F241 HydrophobicContact CG-CE2 3.66Å; L232-F241 HydrophobicContact CG-CZ 4.02Å; L232-W245 HydrophobicContact CD1-CD2 4.45Å; L232-W245 HydrophobicContact CD1-CE3 3.96Å; L232-W245 HydrophobicContact CD1-CH2 3.89Å; L232-W245 HydrophobicContact CD1-CZ2 4.38Å; L232-W245 HydrophobicContact CD1-CZ3 3.65Å |
| 233 | S | 36.8 | Very low | 45.3 | Very low | 106 Ų | 106 | 73 Ų | 73 | 74% | 0.741 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -91 | 101.1 | 168.6 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | L231 | L231-S233 PolarHBondContact O-N 2.69Š|
| 234 | G | 40.9 | Very low | 44 | Very low | 61 Ų | 61 | 74.6 Ų | 74.6 | 63% | 0.629 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 169.1 | -104.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 235 | N | 40.2 | Very low | 43 | Very low | 137 Ų | 137 | 77 Ų | 77 | 73% | 0.733 | 44% | 0.44 | S | S | * | . | trans | -143.5 | 12.9 | -155.9 | -73.9 | -31.4 | 0 | 0 | 0 | 115.9 | F188 S237 | F188-N235 HydrophobicContact CD2-CB 4.3Å; F188-N235 HydrophobicContact CE2-CB 4.41Å; N235-S237 PolarHBondContact O-N 3.49Å | ||
| 236 | C | 38.6 | Very low | 42.4 | Very low | 50 Ų | 50 | 75.2 Ų | 75.2 | 34% | 0.338 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -63.7 | 137.8 | 161.6 | -115.6 | 0 | 0 | 0 | 0 | 107.8 | E193 N238 F241 | E193-C236 PolarHBondContact OE1-SG 3.21Å; E193-C236 VanDerWaalsContact OE1-SG 3.33Å; C236-N238 PolarHBondContact O-N 3.2Å; C236-N238 VanDerWaalsContact O-N 3.17Å; C236-F241 HydrophobicContact CB-CB 4.17Å |
| 237 | S | 44.2 | Very low | 41.7 | Very low | 62 Ų | 62 | 79.9 Ų | 79.9 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | trans | -52.5 | 130 | 175.2 | 66.7 | 0 | 0 | 0 | 0 | 109 | N235 E239 A240 F241 | N235-S237 PolarHBondContact O-N 3.49Å; S237-E239 PolarHBondContact O-N 3.3Å; S237-A240 PolarHBondContact O-N 3.32Å; S237-A240 VanDerWaalsContact OG-CB 3.26Å; S237-A240 WeakPolarHBondContact OG-CB 3.45Å; S237-A240 PolarHBondContact OG-N 3.28Å; S237-F241 PolarHBondContact O-N 2.76Å | ||
| 238 | N | 38.8 | Very low | 40.9 | Very low | 134 Ų | 134 | 79.5 Ų | 79.5 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -51.3 | -26.1 | 179.8 | -81.9 | -33.9 | 0 | 0 | 0 | 111.5 | C236 S242 | C236-N238 PolarHBondContact O-N 3.2Å; C236-N238 VanDerWaalsContact O-N 3.17Å; N238-S242 WeakPolarHBondContact O-CA 3.32Å; N238-S242 WeakPolarHBondContact O-CB 3.32Å; N238-S242 PolarHBondContact O-N 3.29Å; N238-S242 PolarHBondContact O-OG 3.31Å |
| 239 | E | 43.7 | Very low | 40.8 | Very low | 120 Ų | 120 | 75.7 Ų | 75.7 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -74.9 | -49.6 | 177.7 | -168.8 | 161.7 | -162.9 | 0 | 0 | 113.8 | S237 S242 Q243 | S237-E239 PolarHBondContact O-N 3.3Å; E239-S242 PolarHBondContact O-N 3.29Å; E239-Q243 VanDerWaalsContact O-CB 3.32Å; E239-Q243 WeakPolarHBondContact O-CB 3.48Å; E239-Q243 VanDerWaalsContact O-CG 3.25Å; E239-Q243 WeakPolarHBondContact O-CG 3.34Å; E239-Q243 PolarHBondContact O-N 3.11Å |
| 240 | A | 43.8 | Very low | 40.5 | Very low | 38 Ų | 38 | 75.4 Ų | 75.4 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S237 T244 | S237-A240 PolarHBondContact O-N 3.32Å; S237-A240 VanDerWaalsContact OG-CB 3.26Å; S237-A240 WeakPolarHBondContact OG-CB 3.45Å; S237-A240 PolarHBondContact OG-N 3.28Å; A240-T244 VanDerWaalsContact O-CB 3.24Å; A240-T244 WeakPolarHBondContact O-CB 3.47Å; A240-T244 PolarHBondContact O-N 3.05Å; A240-T244 PolarHBondContact O-OG1 3.46Å |
| 241 | F | 41.1 | Very low | 40.7 | Very low | 50 Ų | 50 | 69.4 Ų | 69.4 | 22% | 0.219 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -51.8 | 172.2 | 174.6 | -114.5 | 0 | 0 | 0 | 110.5 | L232 C236 S237 Q243 T244 W245 | L232-F241 HydrophobicContact CB-CE2 4.25Å; L232-F241 HydrophobicContact CB-CZ 4.19Å; L232-F241 HydrophobicContact CD1-CE2 3.44Å; L232-F241 VanDerWaalsContact CD1-CE2 3.44Å; L232-F241 HydrophobicContact CD1-CZ 3.61Å; L232-F241 HydrophobicContact CD2-CD2 3.34Å; L232-F241 HydrophobicContact CD2-CE2 3Å; L232-F241 HydrophobicContact CD2-CG 4.37Å; L232-F241 HydrophobicContact CD2-CZ 3.79Å; L232-F241 HydrophobicContact CG-CD2 4.42Å; L232-F241 HydrophobicContact CG-CE2 3.66Å; L232-F241 HydrophobicContact CG-CZ 4.02Å; C236-F241 HydrophobicContact CB-CB 4.17Å; S237-F241 PolarHBondContact O-N 2.76Å; F241-Q243 VanDerWaalsContact C-N 3.29Å; F241-Q243 PolarHBondContact O-N 2.7Å; F241-T244 PolarHBondContact O-N 3.01Å; F241-W245 HydrophobicContact CD2-CB 4.13Å; F241-W245 HydrophobicContact CE1-CB 4.35Å; F241-W245 HydrophobicContact CE1-CG 4.29Å; F241-W245 HydrophobicContact CE2-CB 3.66Å; F241-W245 AromaticContact CE2-CD2 3.78Å; F241-W245 HydrophobicContact CE2-CD2 3.78Å; F241-W245 AromaticContact CE2-CE3 3.8Å; F241-W245 HydrophobicContact CE2-CE3 3.8Å; F241-W245 AromaticContact CE2-CG 3.75Å; F241-W245 HydrophobicContact CE2-CG 3.75Å; F241-W245 HydrophobicContact CZ-CB 3.82Å; F241-W245 AromaticContact CZ-CD1 3.92Å; F241-W245 AromaticContact CZ-CD2 3.73Å; F241-W245 HydrophobicContact CZ-CD2 3.73Å; F241-W245 HydrophobicContact CZ-CE3 4.17Å; F241-W245 AromaticContact CZ-CG 3.56Å; F241-W245 HydrophobicContact CZ-CG 3.56Å; F241-W245 WeakPolarHBondContact O-CA 3.34Å; F241-W245 WeakPolarHBondContact O-CB 3.29Å; F241-W245 PolarHBondContact O-N 3.29Å |
| 242 | S | 39.4 | Very low | 40.9 | Very low | 68 Ų | 68 | 67.7 Ų | 67.7 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 179.5 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | N238 E239 Y246 | N238-S242 WeakPolarHBondContact O-CA 3.32Å; N238-S242 WeakPolarHBondContact O-CB 3.32Å; N238-S242 PolarHBondContact O-N 3.29Å; N238-S242 PolarHBondContact O-OG 3.31Å; E239-S242 PolarHBondContact O-N 3.29Å; S242-Y246 WeakPolarHBondContact O-CA 3.3Å; S242-Y246 WeakPolarHBondContact O-CB 3.41Å; S242-Y246 PolarHBondContact O-N 2.99Å |
| 243 | Q | 42.2 | Very low | 40.9 | Very low | 63 Ų | 63 | 65.2 Ų | 65.2 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 176.2 | -76.5 | -72.8 | -16.3 | 0 | 0 | 112.7 | E239 F241 R247 | E239-Q243 VanDerWaalsContact O-CB 3.32Å; E239-Q243 WeakPolarHBondContact O-CB 3.48Å; E239-Q243 VanDerWaalsContact O-CG 3.25Å; E239-Q243 WeakPolarHBondContact O-CG 3.34Å; E239-Q243 PolarHBondContact O-N 3.11Å; F241-Q243 VanDerWaalsContact C-N 3.29Å; F241-Q243 PolarHBondContact O-N 2.7Å; Q243-R247 WeakPolarHBondContact O-CB 3.46Å; Q243-R247 WeakPolarHBondContact O-CD 3.5Å; Q243-R247 WeakPolarHBondContact O-CG 3.47Å; Q243-R247 PolarHBondContact O-N 2.99Å |
| 244 | T | 40.6 | Very low | 41.1 | Very low | 36 Ų | 36 | 63.9 Ų | 63.9 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.5 | -39.4 | -180 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | M200 A240 F241 R247 F248 | M200-T244 HydrophobicContact CB-CG2 4.28Å; A240-T244 VanDerWaalsContact O-CB 3.24Å; A240-T244 WeakPolarHBondContact O-CB 3.47Å; A240-T244 PolarHBondContact O-N 3.05Å; A240-T244 PolarHBondContact O-OG1 3.46Å; F241-T244 PolarHBondContact O-N 3.01Å; T244-R247 CarbonylContact O-C 3.45Å; T244-R247 PolarHBondContact O-N 2.56Å; T244-F248 WeakPolarHBondContact O-CB 3.19Å; T244-F248 PolarHBondContact O-N 3.48Å |
| 245 | W | 42 | Very low | 41 | Very low | 69 Ų | 69 | 63.3 Ų | 63.3 | 26% | 0.261 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 173.2 | -162.5 | -116.6 | 0 | 0 | 0 | 111.4 | L232 F241 F248 L249 | L232-W245 HydrophobicContact CD1-CD2 4.45Å; L232-W245 HydrophobicContact CD1-CE3 3.96Å; L232-W245 HydrophobicContact CD1-CH2 3.89Å; L232-W245 HydrophobicContact CD1-CZ2 4.38Å; L232-W245 HydrophobicContact CD1-CZ3 3.65Å; F241-W245 HydrophobicContact CD2-CB 4.13Å; F241-W245 HydrophobicContact CE1-CB 4.35Å; F241-W245 HydrophobicContact CE1-CG 4.29Å; F241-W245 HydrophobicContact CE2-CB 3.66Å; F241-W245 AromaticContact CE2-CD2 3.78Å; F241-W245 HydrophobicContact CE2-CD2 3.78Å; F241-W245 AromaticContact CE2-CE3 3.8Å; F241-W245 HydrophobicContact CE2-CE3 3.8Å; F241-W245 AromaticContact CE2-CG 3.75Å; F241-W245 HydrophobicContact CE2-CG 3.75Å; F241-W245 HydrophobicContact CZ-CB 3.82Å; F241-W245 AromaticContact CZ-CD1 3.92Å; F241-W245 AromaticContact CZ-CD2 3.73Å; F241-W245 HydrophobicContact CZ-CD2 3.73Å; F241-W245 HydrophobicContact CZ-CE3 4.17Å; F241-W245 AromaticContact CZ-CG 3.56Å; F241-W245 HydrophobicContact CZ-CG 3.56Å; F241-W245 WeakPolarHBondContact O-CA 3.34Å; F241-W245 WeakPolarHBondContact O-CB 3.29Å; F241-W245 PolarHBondContact O-N 3.29Å; W245-F248 HydrophobicContact CD2-CD1 4.4Å; W245-F248 HydrophobicContact CE3-CB 4.36Å; W245-F248 AromaticContact CE3-CD1 3.72Å; W245-F248 HydrophobicContact CE3-CD1 3.72Å; W245-F248 HydrophobicContact CE3-CE1 4.34Å; W245-F248 HydrophobicContact CE3-CG 4.23Å; W245-F248 AromaticContact CH2-CD1 3.98Å; W245-F248 HydrophobicContact CH2-CD1 3.98Å; W245-F248 AromaticContact CH2-CE1 3.88Å; W245-F248 HydrophobicContact CH2-CE1 3.88Å; W245-F248 AromaticContact CZ3-CD1 3.49Å; W245-F248 HydrophobicContact CZ3-CD1 3.49Å; W245-F248 VanDerWaalsContact CZ3-CD1 3.49Å; W245-F248 AromaticContact CZ3-CE1 3.63Å; W245-F248 HydrophobicContact CZ3-CE1 3.63Å; W245-F248 HydrophobicContact CZ3-CG 4.26Å; W245-F248 HydrophobicContact CZ3-CZ 4.5Å; W245-F248 CarbonylContact O-C 3.49Å; W245-F248 PolarHBondContact O-N 2.94Å; W245-L249 HydrophobicContact CD2-CG 4.36Å; W245-L249 HydrophobicContact CG-CD1 4.11Å; W245-L249 HydrophobicContact CG-CG 4.2Å; W245-L249 HydrophobicContact CZ2-CD2 4.37Å; W245-L249 WeakPolarHBondContact O-CA 3.47Å; W245-L249 WeakPolarHBondContact O-CB 3.46Å; W245-L249 WeakPolarHBondContact O-CG 3.29Å; W245-L249 PolarHBondContact O-N 3.26Å |
| 246 | Y | 41.1 | Very low | 40.8 | Very low | 64 Ų | 64 | 57.4 Ų | 57.4 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 169.3 | 173.3 | -113.5 | 0 | 0 | 0 | 110.6 | S242 F248 L249 M250 C300 | S242-Y246 WeakPolarHBondContact O-CA 3.3Å; S242-Y246 WeakPolarHBondContact O-CB 3.41Å; S242-Y246 PolarHBondContact O-N 2.99Å; Y246-F248 VanDerWaalsContact C-N 3.34Å; Y246-F248 PolarHBondContact O-N 3.24Å; Y246-L249 PolarHBondContact O-N 3Å; Y246-M250 HydrophobicContact CD2-CG 3.96Å; Y246-M250 HydrophobicContact CE1-CG 4.29Å; Y246-M250 HydrophobicContact CE2-CG 3.64Å; Y246-M250 HydrophobicContact CE2-SD 3.86Å; Y246-M250 HydrophobicContact CG-CG 4.37Å; Y246-M250 WeakPolarHBondContact O-CB 3.43Å; Y246-M250 WeakPolarHBondContact O-CG 3.47Å; Y246-M250 PolarHBondContact O-N 3.34Å; Y246-C300 HydrophobicContact CE2-CB 3.57Å; Y246-C300 WeakPolarHBondContact CE2-SG 3.3Å; Y246-C300 PolarHBondContact OH-SG 3.4Å |
| 247 | R | 42.2 | Very low | 40.7 | Very low | 133 Ų | 133 | 64.6 Ų | 64.6 | 50% | 0.502 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 174.5 | -71.2 | 168.2 | -174.5 | -139.2 | 0.3 | 112.6 | L204 Q243 T244 I251 | L204-R247 HydrophobicContact CD1-CB 4.48Å; Q243-R247 WeakPolarHBondContact O-CB 3.46Å; Q243-R247 WeakPolarHBondContact O-CD 3.5Å; Q243-R247 WeakPolarHBondContact O-CG 3.47Å; Q243-R247 PolarHBondContact O-N 2.99Å; T244-R247 CarbonylContact O-C 3.45Å; T244-R247 PolarHBondContact O-N 2.56Å; R247-I251 WeakPolarHBondContact O-CD1 3.38Å; R247-I251 WeakPolarHBondContact O-CG1 3.45Å; R247-I251 PolarHBondContact O-N 3Å |
| 248 | F | 39.6 | Very low | 40.3 | Very low | 20 Ų | 20 | 68.9 Ų | 68.9 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.7 | -41.6 | 177.8 | -176.4 | -94.1 | 0 | 0 | 0 | 111.7 | M200 L204 L224 L229 T244 W245 Y246 I251 F252 | M200-F248 HydrophobicContact CE-CD2 3.71Å; M200-F248 HydrophobicContact CE-CE2 3.97Å; L204-F248 HydrophobicContact CD2-CD2 4.19Å; L224-F248 HydrophobicContact CD1-CE2 4.2Å; L224-F248 HydrophobicContact CD1-CZ 4.35Å; L224-F248 HydrophobicContact CG-CZ 4.45Å; L229-F248 HydrophobicContact CD1-CZ 4.13Å; T244-F248 WeakPolarHBondContact O-CB 3.19Å; T244-F248 PolarHBondContact O-N 3.48Å; W245-F248 HydrophobicContact CD2-CD1 4.4Å; W245-F248 HydrophobicContact CE3-CB 4.36Å; W245-F248 AromaticContact CE3-CD1 3.72Å; W245-F248 HydrophobicContact CE3-CD1 3.72Å; W245-F248 HydrophobicContact CE3-CE1 4.34Å; W245-F248 HydrophobicContact CE3-CG 4.23Å; W245-F248 AromaticContact CH2-CD1 3.98Å; W245-F248 HydrophobicContact CH2-CD1 3.98Å; W245-F248 AromaticContact CH2-CE1 3.88Å; W245-F248 HydrophobicContact CH2-CE1 3.88Å; W245-F248 AromaticContact CZ3-CD1 3.49Å; W245-F248 HydrophobicContact CZ3-CD1 3.49Å; W245-F248 VanDerWaalsContact CZ3-CD1 3.49Å; W245-F248 AromaticContact CZ3-CE1 3.63Å; W245-F248 HydrophobicContact CZ3-CE1 3.63Å; W245-F248 HydrophobicContact CZ3-CG 4.26Å; W245-F248 HydrophobicContact CZ3-CZ 4.5Å; W245-F248 CarbonylContact O-C 3.49Å; W245-F248 PolarHBondContact O-N 2.94Å; Y246-F248 VanDerWaalsContact C-N 3.34Å; Y246-F248 PolarHBondContact O-N 3.24Å; F248-I251 CarbonylContact O-C 3.57Å; F248-I251 PolarHBondContact O-N 3.48Å; F248-I251 VanDerWaalsContact O-N 3.16Å; F248-F252 PolarHBondContact O-N 2.91Å |
| 249 | L | 39.4 | Very low | 40.2 | Very low | 28 Ų | 28 | 65 Ų | 65 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.1 | -37.3 | 177.5 | -75.1 | 175.2 | 0 | 0 | 0 | 112.3 | W245 Y246 I251 G253 N254 | W245-L249 HydrophobicContact CD2-CG 4.36Å; W245-L249 HydrophobicContact CG-CD1 4.11Å; W245-L249 HydrophobicContact CG-CG 4.2Å; W245-L249 HydrophobicContact CZ2-CD2 4.37Å; W245-L249 WeakPolarHBondContact O-CA 3.47Å; W245-L249 WeakPolarHBondContact O-CB 3.46Å; W245-L249 WeakPolarHBondContact O-CG 3.29Å; W245-L249 PolarHBondContact O-N 3.26Å; Y246-L249 PolarHBondContact O-N 3Å; L249-I251 PolarHBondContact O-N 3.2Å; L249-G253 PolarHBondContact O-N 3.46Å; L249-N254 HydrophobicContact CD2-CB 3.92Å |
| 250 | M | 40.9 | Very low | 39.8 | Very low | 39 Ų | 39 | 66.1 Ų | 66.1 | 19% | 0.192 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -22.2 | 169.3 | -76.4 | -81.9 | -71.7 | 0 | 0 | 111.7 | Y246 I303 | Y246-M250 HydrophobicContact CD2-CG 3.96Å; Y246-M250 HydrophobicContact CE1-CG 4.29Å; Y246-M250 HydrophobicContact CE2-CG 3.64Å; Y246-M250 HydrophobicContact CE2-SD 3.86Å; Y246-M250 HydrophobicContact CG-CG 4.37Å; Y246-M250 WeakPolarHBondContact O-CB 3.43Å; Y246-M250 WeakPolarHBondContact O-CG 3.47Å; Y246-M250 PolarHBondContact O-N 3.34Å; M250-I303 HydrophobicContact CE-CB 3.52Å; M250-I303 HydrophobicContact CE-CG1 4.24Å; M250-I303 HydrophobicContact CE-CG2 3.13Å; M250-I303 HydrophobicContact SD-CB 3.97Å; M250-I303 HydrophobicContact SD-CG2 4.02Å |
| 251 | I | 40.4 | Very low | 39.2 | Very low | 30 Ų | 30 | 69.5 Ų | 69.5 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -98.7 | -48.8 | 178 | -59.8 | 173.2 | 0 | 0 | 0 | 110 | L204 L208 R247 F248 L249 | L204-I251 HydrophobicContact CB-CD1 4.17Å; L204-I251 HydrophobicContact CD1-CD1 4.21Å; L204-I251 HydrophobicContact CD2-CB 4.45Å; L204-I251 HydrophobicContact CD2-CD1 3.81Å; L204-I251 HydrophobicContact CD2-CG2 4.47Å; L204-I251 HydrophobicContact CG-CD1 4.28Å; L208-I251 HydrophobicContact CD1-CD1 4Å; L208-I251 HydrophobicContact CD2-CD1 4.48Å; L208-I251 HydrophobicContact CD2-CG2 4.3Å; L208-I251 HydrophobicContact CG-CD1 4.33Å; R247-I251 WeakPolarHBondContact O-CD1 3.38Å; R247-I251 WeakPolarHBondContact O-CG1 3.45Å; R247-I251 PolarHBondContact O-N 3Å; F248-I251 CarbonylContact O-C 3.57Å; F248-I251 PolarHBondContact O-N 3.48Å; F248-I251 VanDerWaalsContact O-N 3.16Å; L249-I251 PolarHBondContact O-N 3.2Å |
| 252 | F | 42.8 | Very low | 38.8 | Very low | 40 Ų | 40 | 74.9 Ų | 74.9 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -141.2 | 26.5 | -164.3 | -61.7 | -46.8 | 0 | 0 | 0 | 120.5 | W207 W221 L224 F248 | W207-F252 HydrophobicContact CB-CE2 4.28Å; W207-F252 AromaticContact CD1-CE2 3.34Å; W207-F252 AromaticContact CD1-CZ 3.18Å; W207-F252 AromaticContact CD2-CE2 3.77Å; W207-F252 HydrophobicContact CD2-CE2 3.77Å; W207-F252 HydrophobicContact CD2-CZ 4.33Å; W207-F252 AromaticContact CE2-CE2 3.8Å; W207-F252 AromaticContact CG-CE2 3.52Å; W207-F252 HydrophobicContact CG-CE2 3.52Å; W207-F252 AromaticContact CG-CZ 3.86Å; W207-F252 HydrophobicContact CG-CZ 3.86Å; W207-F252 AromaticContact NE1-CE2 3.46Å; W207-F252 AromaticContact NE1-CZ 3.28Å; W207-F252 VanDerWaalsContact NE1-CZ 3.28Å; W221-F252 HydrophobicContact CE3-CD1 4.13Å; W221-F252 HydrophobicContact CE3-CE1 4.34Å; W221-F252 HydrophobicContact CE3-CG 4.5Å; W221-F252 AromaticContact CH2-CD1 3.63Å; W221-F252 HydrophobicContact CH2-CD1 3.63Å; W221-F252 AromaticContact CH2-CE1 3.03Å; W221-F252 HydrophobicContact CH2-CE1 3.03Å; W221-F252 HydrophobicContact CH2-CE2 4.16Å; W221-F252 HydrophobicContact CH2-CG 4.49Å; W221-F252 AromaticContact CH2-CZ 3.32Å; W221-F252 HydrophobicContact CH2-CZ 3.32Å; W221-F252 HydrophobicContact CZ2-CE1 4.37Å; W221-F252 AromaticContact CZ3-CD1 3.11Å; W221-F252 HydrophobicContact CZ3-CD1 3.11Å; W221-F252 AromaticContact CZ3-CD2 3.97Å; W221-F252 HydrophobicContact CZ3-CD2 3.97Å; W221-F252 AromaticContact CZ3-CE1 3.04Å; W221-F252 HydrophobicContact CZ3-CE1 3.04Å; W221-F252 AromaticContact CZ3-CE2 3.8Å; W221-F252 HydrophobicContact CZ3-CE2 3.8Å; W221-F252 AromaticContact CZ3-CG 3.65Å; W221-F252 HydrophobicContact CZ3-CG 3.65Å; W221-F252 AromaticContact CZ3-CZ 3.37Å; W221-F252 HydrophobicContact CZ3-CZ 3.37Å; L224-F252 HydrophobicContact CD2-CB 4.32Å; L224-F252 HydrophobicContact CD2-CD2 3.91Å; L224-F252 HydrophobicContact CD2-CG 4.33Å; F248-F252 PolarHBondContact O-N 2.91Å |
| 253 | G | 40.4 | Very low | 38.4 | Very low | 22 Ų | 22 | 78.1 Ų | 78.1 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | trans | 84.8 | 92.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | L249 | L249-G253 PolarHBondContact O-N 3.46Š| ||
| 254 | N | 40.5 | Very low | 37.8 | Very low | 78 Ų | 78 | 79.4 Ų | 79.4 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | trans | -153.5 | 50.3 | 149.1 | -145.1 | -20.3 | 0 | 0 | 0 | 112.7 | L249 G256 R257 | L249-N254 HydrophobicContact CD2-CB 3.92Å; N254-G256 PolarHBondContact O-N 2.88Å; N254-R257 PolarHBondContact O-N 3.42Å | ||
| 255 | L | 39.3 | Very low | 37.4 | Very low | 48 Ų | 48 | 86 Ų | 86 | 25% | 0.251 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.9 | -179.6 | -91.6 | 103.5 | 0 | 0 | 0 | 113.7 | R257 F258 L259 F301 A304 | L255-R257 PolarHBondContact O-N 3.46Å; L255-F258 WeakPolarHBondContact O-CA 3.41Å; L255-F258 WeakPolarHBondContact O-CB 3.47Å; L255-F258 PolarHBondContact O-N 3.47Å; L255-L259 PolarHBondContact O-N 2.91Å; L255-F301 HydrophobicContact CD2-CD2 4.45Å; L255-A304 HydrophobicContact CD1-CB 3.97Å |
| 256 | G | 36 | Very low | 36.8 | Very low | 13 Ų | 13 | 84.8 Ų | 84.8 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.1 | -30.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N254 F258 L259 K260 | N254-G256 PolarHBondContact O-N 2.88Å; G256-F258 VanDerWaalsContact C-N 3.31Å; G256-F258 PolarHBondContact O-N 2.94Å; G256-L259 PolarHBondContact O-N 3.39Å; G256-K260 VanDerWaalsContact O-CB 3.23Å; G256-K260 WeakPolarHBondContact O-CB 3.34Å; G256-K260 WeakPolarHBondContact O-CG 3.31Å; G256-K260 PolarHBondContact O-N 2.87Å |
| 257 | R | 37.6 | Very low | 35.9 | Very low | 202 Ų | 202 | 91 Ų | 91 | 76% | 0.762 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.8 | -31.8 | 171.8 | -92.1 | -170 | 175.5 | -177.9 | 2 | 112.4 | N254 L255 T261 | N254-R257 PolarHBondContact O-N 3.42Å; L255-R257 PolarHBondContact O-N 3.46Å; R257-T261 WeakPolarHBondContact O-CG2 3.13Å |
| 258 | F | 35.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 94.7 Ų | 94.7 | 67% | 0.667 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.1 | -34.1 | 174.6 | -148 | -87.9 | 0 | 0 | 0 | 112 | L255 G256 T261 | L255-F258 WeakPolarHBondContact O-CA 3.41Å; L255-F258 WeakPolarHBondContact O-CB 3.47Å; L255-F258 PolarHBondContact O-N 3.47Å; G256-F258 VanDerWaalsContact C-N 3.31Å; G256-F258 PolarHBondContact O-N 2.94Å; F258-T261 PolarHBondContact O-OG1 2.94Å |
| 259 | L | 37.5 | Very low | 34.4 | Very low | 52 Ų | 52 | 97.4 Ų | 97.4 | 27% | 0.272 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -79.4 | -26.5 | 176.4 | -65.9 | 173.3 | 0 | 0 | 0 | 113.1 | L255 G256 T451 M454 | L255-L259 PolarHBondContact O-N 2.91Å; G256-L259 PolarHBondContact O-N 3.39Å; L259-T451 HydrophobicContact CD1-CG2 4.43Å; L259-M454 WeakPolarHBondContact O-CE 3.47Å |
| 260 | K | 34.4 | Very low | 33.6 | Very low | 144 Ų | 144 | 105.6 Ų | 105.6 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -90.7 | 4.6 | 179.8 | -73.8 | -178.2 | 179.2 | 172.2 | 0 | 114.8 | G256 K262 | G256-K260 VanDerWaalsContact O-CB 3.23Å; G256-K260 WeakPolarHBondContact O-CB 3.34Å; G256-K260 WeakPolarHBondContact O-CG 3.31Å; G256-K260 PolarHBondContact O-N 2.87Å; K260-K262 PolarHBondContact O-N 3.31Å |
| 261 | T | 30.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 66% | 0.663 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 65.9 | 173.1 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | R257 F258 | R257-T261 WeakPolarHBondContact O-CG2 3.13Å; F258-T261 PolarHBondContact O-OG1 2.94Å |
| 262 | K | 32.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 113.5 Ų | 113.5 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.4 | -1.5 | 159.1 | -104.4 | -171.3 | -177.4 | 176.6 | 0 | 115.3 | K260 | K260-K262 PolarHBondContact O-N 3.31Š|
| 263 | N | 31.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 72% | 0.722 | 63% | 0.627 | S | S | * | * | trans | -116.1 | 35.1 | 178.6 | -68 | -2.3 | 0 | 0 | 0 | 113.7 | ||||
| 264 | A | 30 | Very low | 30.8 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | trans | -96.4 | 88.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | G266 | A264-G266 PolarHBondContact O-N 3.45Š| ||
| 265 | D | 31.6 | Very low | 30.1 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 93% | 0.93 | 67% | 0.669 | S | S | * | * | trans | -67.1 | 58.3 | 167.4 | -71.2 | -40.1 | 0 | 0 | 0 | 110.3 | ||||
| 266 | G | 29.1 | Very low | 29.5 | Very low | 43 Ų | 43 | 128.3 Ų | 128.3 | 44% | 0.443 | 70% | 0.696 | S | S | . | * | trans | -128.7 | 110.4 | 175 | 0 | 0 | 0 | 0 | 0 | 108.1 | A264 Y268 | A264-G266 PolarHBondContact O-N 3.45Å; G266-Y268 PolarHBondContact O-N 2.9Å | ||
| 267 | E | 24 | Very low | 29 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 91% | 0.907 | 73% | 0.726 | S | S | * | * | trans | -45.8 | 95.3 | 175.1 | -67.2 | 175.2 | 137 | 0 | 0 | 112.1 | A269 | E267-A269 PolarHBondContact O-N 3.27Š| ||
| 268 | Y | 23.7 | Very low | 28.6 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -92 | 88.3 | 153.8 | -78.3 | -79.9 | 0 | 0 | 0 | 107 | G266 F270 | G266-Y268 PolarHBondContact O-N 2.9Å; Y268-F270 VanDerWaalsContact C-N 3.33Å; Y268-F270 PolarHBondContact O-N 3.38Å | ||
| 269 | A | 24.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | trans | -56.7 | 93 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E267 N271 | E267-A269 PolarHBondContact O-N 3.27Å; A269-N271 PolarHBondContact O-N 3.44Å | ||
| 270 | F | 24.3 | Very low | 27.5 | Very low | 200 Ų | 200 | 137.1 Ų | 137.1 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -68.9 | 77.7 | 157 | -85.8 | -88.4 | 0 | 0 | 0 | 107.9 | Y268 A272 | Y268-F270 VanDerWaalsContact C-N 3.33Å; Y268-F270 PolarHBondContact O-N 3.38Å; F270-A272 VanDerWaalsContact C-N 3.35Å; F270-A272 PolarHBondContact O-N 3.13Å | ||
| 271 | N | 25.7 | Very low | 27.2 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 99.7 | 166.4 | -83.8 | -24.7 | 0 | 0 | 0 | 107.9 | A269 | A269-N271 PolarHBondContact O-N 3.44Š| ||
| 272 | A | 24.9 | Very low | 27 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -51.8 | 127.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | F270 S274 | F270-A272 VanDerWaalsContact C-N 3.35Å; F270-A272 PolarHBondContact O-N 3.13Å; A272-S274 PolarHBondContact O-N 3.09Å; A272-S274 VanDerWaalsContact O-N 3.08Å | ||
| 273 | P | 29 | Very low | 26.8 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -69 | 113.5 | -175.3 | 27.6 | -32.4 | 0 | 0 | 0 | 109.2 | V275 | P273-V275 PolarHBondContact O-N 3.28Š| ||
| 274 | S | 26.1 | Very low | 26.5 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -56.1 | 119.2 | 170.6 | 43.6 | 0 | 0 | 0 | 0 | 111 | A272 V276 | A272-S274 PolarHBondContact O-N 3.09Å; A272-S274 VanDerWaalsContact O-N 3.08Å; S274-V276 PolarHBondContact O-N 3.13Å | ||
| 275 | V | 25.5 | Very low | 26.2 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 6.4 | 95.6 | 146.3 | -172.7 | 0 | 0 | 0 | 0 | 114.2 | P273 | P273-V275 PolarHBondContact O-N 3.28Š| ||
| 276 | V | 27.2 | Very low | 25.9 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -116.7 | 119.3 | 159.2 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | S274 | S274-V276 PolarHBondContact O-N 3.13Š| ||
| 277 | Q | 23.5 | Very low | 25.7 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | trans | -58.4 | 150.1 | 179.6 | -73.9 | 179.9 | -15.6 | 0 | 0 | 112 | S279 | Q277-S279 PolarHBondContact O-N 3.2Š| ||
| 278 | P | 30 | Very low | 25.7 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -73.6 | 119.6 | -170.8 | 29.9 | -31.8 | 0 | 0 | 0 | 110 | ||||
| 279 | S | 25.5 | Very low | 25.7 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -113.4 | 129.9 | 161.8 | 47.3 | 0 | 0 | 0 | 0 | 108.5 | Q277 S281 | Q277-S279 PolarHBondContact O-N 3.2Å; S279-S281 PolarHBondContact O-N 3.44Å | ||
| 280 | E | 25.1 | Very low | 25.8 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -63.5 | 119.5 | -176.9 | -60.2 | 168.5 | 150.8 | 0 | 0 | 110.5 | ||||
| 281 | S | 27.7 | Very low | 25.9 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -169.4 | 130 | 133 | 39.2 | 0 | 0 | 0 | 0 | 109.5 | S279 D283 | S279-S281 PolarHBondContact O-N 3.44Å; S281-D283 PolarHBondContact O-N 2.98Å | ||
| 282 | S | 25.7 | Very low | 26.2 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -64.2 | 118.4 | 179.8 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 283 | D | 27.5 | Very low | 26.7 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -159.7 | 78.2 | 146.5 | -92.7 | -26.3 | 0 | 0 | 0 | 108.4 | S281 S285 | S281-D283 PolarHBondContact O-N 2.98Å; D283-S285 PolarHBondContact O-N 3.07Å; D283-S285 VanDerWaalsContact O-N 3.11Å | ||
| 284 | Q | 26.7 | Very low | 27.1 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | trans | -79 | 85.9 | 174.1 | -71.1 | -178.6 | 0.4 | 0 | 0 | 109.4 | ||||
| 285 | S | 23.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -107.6 | 116 | 160.9 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | D283 | D283-S285 PolarHBondContact O-N 3.07Å; D283-S285 VanDerWaalsContact O-N 3.11Å | ||
| 286 | S | 24.6 | Very low | 29.4 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | 49.5 | 72.5 | 154.5 | 60 | 0 | 0 | 0 | 0 | 118.5 | E288 | S286-E288 PolarHBondContact O-N 3.42Š| ||
| 287 | T | 24.9 | Very low | 30.9 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | -78.7 | 91.6 | 143.5 | 33.7 | 0 | 0 | 0 | 0 | 108.5 | R289 | T287-R289 PolarHBondContact O-N 2.69Š| ||
| 288 | E | 24.6 | Very low | 32.9 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 122.3 | 166.8 | -71.7 | -178.2 | 154.5 | 0 | 0 | 109.2 | S286 | S286-E288 PolarHBondContact O-N 3.42Š|
| 289 | R | 24.1 | Very low | 34.5 | Very low | 224 Ų | 224 | 121.9 Ų | 121.9 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 126.8 | 173.7 | -68.9 | 178.5 | 177 | 172.5 | -1.3 | 108.1 | T287 F291 | T287-R289 PolarHBondContact O-N 2.69Å; R289-F291 PolarHBondContact O-N 2.98Å |
| 290 | P | 25.9 | Very low | 36.1 | Very low | 131 Ų | 131 | 117.6 Ų | 117.6 | 85% | 0.851 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 128 | -179.6 | -14.7 | 26.9 | 0 | 0 | 0 | 110.6 | ||
| 291 | F | 26.3 | Very low | 38.2 | Very low | 174 Ų | 174 | 108.9 Ų | 108.9 | 76% | 0.763 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 148.9 | -174.4 | -101.4 | -95.2 | 0 | 0 | 0 | 113.9 | R289 V293 | R289-F291 PolarHBondContact O-N 2.98Å; F291-V293 PolarHBondContact O-N 3.02Å; F291-V293 VanDerWaalsContact O-N 3.08Å |
| 292 | L | 32.7 | Very low | 40.2 | Very low | 116 Ų | 116 | 103.4 Ų | 103.4 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -63.2 | 0.4 | -165.7 | -86.5 | 140.9 | 0 | 0 | 0 | 119.5 | A294 N295 | L292-A294 PolarHBondContact O-N 2.86Å; L292-N295 WeakPolarHBondContact O-CB 3.43Å; L292-N295 PolarHBondContact O-N 2.83Å; L292-N295 VanDerWaalsContact O-N 3.14Å |
| 293 | V | 35.5 | Very low | 42.1 | Very low | 71 Ų | 71 | 100.1 Ų | 100.1 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -72.4 | -28.7 | -171.3 | -177.9 | 0 | 0 | 0 | 0 | 113 | F291 N295 H296 | F291-V293 PolarHBondContact O-N 3.02Å; F291-V293 VanDerWaalsContact O-N 3.08Å; V293-N295 PolarHBondContact O-N 3.42Å; V293-H296 PolarHBondContact O-N 3.19Å |
| 294 | A | 35.4 | Very low | 43.9 | Very low | 92 Ų | 92 | 92.9 Ų | 92.9 | 76% | 0.76 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -64.8 | -18.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L292 H296 | L292-A294 PolarHBondContact O-N 2.86Å; A294-H296 VanDerWaalsContact C-N 3.33Å; A294-H296 PolarHBondContact O-N 3.35Å |
| 295 | N | 43 | Very low | 46.4 | Very low | 117 Ų | 117 | 83.6 Ų | 83.6 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -81.7 | -2.7 | -178.7 | -72.3 | -10.4 | 0 | 0 | 0 | 114.4 | L292 V293 | L292-N295 WeakPolarHBondContact O-CB 3.43Å; L292-N295 PolarHBondContact O-N 2.83Å; L292-N295 VanDerWaalsContact O-N 3.14Å; V293-N295 PolarHBondContact O-N 3.42Å |
| 296 | H | 58.6 | Low | 48.7 | Very low | 90 Ų | 90 | 80.1 Ų | 80.1 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -116.5 | 35.9 | -176.7 | -75 | -70.8 | 0 | 0 | 0 | 114.8 | V293 A294 S298 Y299 C300 | V293-H296 PolarHBondContact O-N 3.19Å; A294-H296 VanDerWaalsContact C-N 3.33Å; A294-H296 PolarHBondContact O-N 3.35Å; H296-S298 PolarHBondContact O-N 2.87Å; H296-Y299 PolarHBondContact O-N 3.02Å; H296-C300 PolarHBondContact O-N 3.16Å; H296-C300 PolarHBondContact O-SG 2.72Å |
| 297 | W | 57.3 | Low | 50.6 | Low | 76 Ų | 76 | 77.2 Ų | 77.2 | 29% | 0.288 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -48.7 | -36.3 | 178.8 | 80.1 | -78 | 0 | 0 | 0 | 113.9 | Y299 C300 F301 L479 A485 | W297-Y299 PolarHBondContact O-N 3.33Å; W297-C300 WeakPolarHBondContact O-CB 3.49Å; W297-C300 PolarHBondContact O-N 3.18Å; W297-F301 HydrophobicContact CE3-CB 4.47Å; W297-F301 HydrophobicContact CZ3-CB 4.45Å; W297-F301 HydrophobicContact CZ3-CD1 4.15Å; W297-F301 WeakPolarHBondContact O-CB 3.27Å; W297-F301 PolarHBondContact O-N 3.45Å; W297-L479 HydrophobicContact CD2-CD2 4.26Å; W297-L479 VanDerWaalsContact CE2-CD2 3.45Å; W297-L479 HydrophobicContact CZ2-CB 4.41Å; W297-L479 HydrophobicContact CZ2-CD1 4.41Å; W297-L479 HydrophobicContact CZ2-CD2 3.67Å; W297-L479 HydrophobicContact CZ2-CG 3.48Å; W297-L479 VanDerWaalsContact CZ2-CG 3.48Å; W297-L479 VanDerWaalsContact NE1-CD2 3.35Å; W297-A485 HydrophobicContact CH2-CB 3.9Å; W297-A485 HydrophobicContact CZ2-CB 4.14Å |
| 298 | S | 65.2 | Low | 52.9 | Low | 9 Ų | 9 | 71.4 Ų | 71.4 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | -179.5 | -52.2 | 0 | 0 | 0 | 0 | 113 | H296 F301 F302 S482 | H296-S298 PolarHBondContact O-N 2.87Å; S298-F301 PolarHBondContact O-N 2.81Å; S298-F302 PolarHBondContact O-N 3.43Å; S298-S482 WeakPolarHBondContact CB-OG 3.4Å; S298-S482 WeakPolarHBondContact OG-CB 3.44Å; S298-S482 PolarHBondContact OG-OG 3.06Å |
| 299 | Y | 64.2 | Low | 55.5 | Low | 45 Ų | 45 | 63.5 Ų | 63.5 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 177.1 | -179.6 | -101.9 | 0 | 0 | 0 | 110.4 | H296 W297 F301 F302 I303 T406 V410 E484 | H296-Y299 PolarHBondContact O-N 3.02Å; W297-Y299 PolarHBondContact O-N 3.33Å; Y299-F301 VanDerWaalsContact C-N 3.28Å; Y299-F301 PolarHBondContact O-N 2.86Å; Y299-F302 WeakPolarHBondContact O-CB 3.41Å; Y299-F302 PolarHBondContact O-N 3.37Å; Y299-F302 VanDerWaalsContact O-N 3.16Å; Y299-I303 HydrophobicContact CD1-CG1 4.25Å; Y299-I303 HydrophobicContact CE1-CD1 4.29Å; Y299-I303 HydrophobicContact CE1-CG1 3.82Å; Y299-I303 HydrophobicContact CE2-CD1 4.13Å; Y299-I303 HydrophobicContact CE2-CG1 4.29Å; Y299-I303 WeakPolarHBondContact O-CG1 3.48Å; Y299-I303 PolarHBondContact O-N 3.49Å; Y299-T406 HydrophobicContact CD2-CG2 4.26Å; Y299-T406 HydrophobicContact CE2-CG2 4.41Å; Y299-T406 HydrophobicContact CG-CG2 4.49Å; Y299-V410 HydrophobicContact CD2-CG2 3.72Å; Y299-V410 HydrophobicContact CE2-CG2 3.84Å; Y299-E484 HydrophobicContact CD2-CG 4.39Å |
| 300 | C | 60.3 | Low | 57.6 | Low | 23 Ų | 23 | 55.4 Ų | 55.4 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.1 | -45.2 | 172.2 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | Y246 H296 W297 I303 A304 | Y246-C300 HydrophobicContact CE2-CB 3.57Å; Y246-C300 WeakPolarHBondContact CE2-SG 3.3Å; Y246-C300 PolarHBondContact OH-SG 3.4Å; H296-C300 PolarHBondContact O-N 3.16Å; H296-C300 PolarHBondContact O-SG 2.72Å; W297-C300 WeakPolarHBondContact O-CB 3.49Å; W297-C300 PolarHBondContact O-N 3.18Å; C300-I303 PolarHBondContact O-N 3.43Å; C300-A304 WeakPolarHBondContact O-CB 3.26Å; C300-A304 PolarHBondContact O-N 3.02Å |
| 301 | F | 67.7 | Low | 59.5 | Low | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.7 | 178.8 | -141.2 | 0 | 0 | 0 | 112 | L255 W297 S298 Y299 A304 M305 A448 A488 R489 | L255-F301 HydrophobicContact CD2-CD2 4.45Å; W297-F301 HydrophobicContact CE3-CB 4.47Å; W297-F301 HydrophobicContact CZ3-CB 4.45Å; W297-F301 HydrophobicContact CZ3-CD1 4.15Å; W297-F301 WeakPolarHBondContact O-CB 3.27Å; W297-F301 PolarHBondContact O-N 3.45Å; S298-F301 PolarHBondContact O-N 2.81Å; Y299-F301 VanDerWaalsContact C-N 3.28Å; Y299-F301 PolarHBondContact O-N 2.86Å; F301-A304 PolarHBondContact O-N 3.06Å; F301-M305 HydrophobicContact CD2-CG 4.06Å; F301-M305 HydrophobicContact CE2-CE 4.17Å; F301-M305 HydrophobicContact CE2-CG 3.68Å; F301-M305 HydrophobicContact CE2-SD 4.02Å; F301-M305 HydrophobicContact CZ-CG 4.28Å; F301-M305 WeakPolarHBondContact O-CG 3.15Å; F301-M305 PolarHBondContact O-N 3.36Å; F301-M305 VanDerWaalsContact O-N 3.09Å; F301-A448 HydrophobicContact CE2-CB 3.98Å; F301-A448 HydrophobicContact CZ-CB 3.94Å; F301-A488 HydrophobicContact CB-CB 4.27Å; F301-A488 HydrophobicContact CD1-CB 3.2Å; F301-A488 HydrophobicContact CD2-CB 4.1Å; F301-A488 HydrophobicContact CE1-CB 3.36Å; F301-A488 HydrophobicContact CE2-CB 4.22Å; F301-A488 HydrophobicContact CG-CB 3.59Å; F301-A488 HydrophobicContact CZ-CB 3.87Å; F301-R489 HydrophobicContact CE1-CG 4.17Å |
| 302 | F | 71.3 | Confident | 61.8 | Low | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -51.7 | 175.5 | 173.5 | -105 | 0 | 0 | 0 | 112.7 | S298 Y299 A304 M305 V306 V410 V413 A487 A488 V491 | S298-F302 PolarHBondContact O-N 3.43Å; Y299-F302 WeakPolarHBondContact O-CB 3.41Å; Y299-F302 PolarHBondContact O-N 3.37Å; Y299-F302 VanDerWaalsContact O-N 3.16Å; F302-A304 VanDerWaalsContact C-N 3.29Å; F302-A304 PolarHBondContact O-N 2.94Å; F302-M305 PolarHBondContact O-N 3Å; F302-M305 VanDerWaalsContact O-N 3.14Å; F302-V306 HydrophobicContact CD1-CG2 4.32Å; F302-V306 HydrophobicContact CD2-CG2 4.26Å; F302-V306 HydrophobicContact CE1-CG2 3.84Å; F302-V306 HydrophobicContact CE2-CG2 3.78Å; F302-V306 HydrophobicContact CZ-CG2 3.56Å; F302-V306 WeakPolarHBondContact O-CG2 3.46Å; F302-V306 PolarHBondContact O-N 2.84Å; F302-V410 HydrophobicContact CD1-CB 4.2Å; F302-V410 HydrophobicContact CD1-CG1 4.03Å; F302-V410 HydrophobicContact CD1-CG2 3.49Å; F302-V410 VanDerWaalsContact CD1-CG2 3.49Å; F302-V410 HydrophobicContact CD2-CG1 3.86Å; F302-V410 HydrophobicContact CE1-CB 4.06Å; F302-V410 HydrophobicContact CE1-CG1 3.97Å; F302-V410 HydrophobicContact CE1-CG2 3.74Å; F302-V410 HydrophobicContact CE2-CG1 3.8Å; F302-V410 HydrophobicContact CG-CG1 3.95Å; F302-V410 HydrophobicContact CG-CG2 4.02Å; F302-V410 HydrophobicContact CZ-CB 4.31Å; F302-V410 HydrophobicContact CZ-CG1 3.84Å; F302-V410 HydrophobicContact CZ-CG2 4.45Å; F302-V413 HydrophobicContact CE1-CB 4.34Å; F302-V413 HydrophobicContact CE1-CG1 4.31Å; F302-V413 HydrophobicContact CZ-CB 3.99Å; F302-V413 HydrophobicContact CZ-CG1 3.83Å; F302-A487 HydrophobicContact CD2-CB 3.41Å; F302-A487 VanDerWaalsContact CD2-CB 3.41Å; F302-A487 HydrophobicContact CE2-CB 3.62Å; F302-A487 HydrophobicContact CG-CB 4.31Å; F302-A488 VanDerWaalsContact CA-CB 3.48Å; F302-A488 HydrophobicContact CB-CB 4.1Å; F302-V491 HydrophobicContact CD2-CG2 4.36Å; F302-V491 HydrophobicContact CE2-CG2 3.83Å |
| 303 | I | 65.2 | Low | 63.9 | Low | 39 Ų | 39 | 36.6 Ų | 36.6 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | -178.4 | -56.8 | -65.6 | 0 | 0 | 0 | 110.6 | M250 Y299 C300 M305 V306 T307 | M250-I303 HydrophobicContact CE-CB 3.52Å; M250-I303 HydrophobicContact CE-CG1 4.24Å; M250-I303 HydrophobicContact CE-CG2 3.13Å; M250-I303 HydrophobicContact SD-CB 3.97Å; M250-I303 HydrophobicContact SD-CG2 4.02Å; Y299-I303 HydrophobicContact CD1-CG1 4.25Å; Y299-I303 HydrophobicContact CE1-CD1 4.29Å; Y299-I303 HydrophobicContact CE1-CG1 3.82Å; Y299-I303 HydrophobicContact CE2-CD1 4.13Å; Y299-I303 HydrophobicContact CE2-CG1 4.29Å; Y299-I303 WeakPolarHBondContact O-CG1 3.48Å; Y299-I303 PolarHBondContact O-N 3.49Å; C300-I303 PolarHBondContact O-N 3.43Å; I303-M305 VanDerWaalsContact C-N 3.3Å; I303-M305 PolarHBondContact O-N 3.27Å; I303-V306 PolarHBondContact O-N 3.4Å; I303-V306 VanDerWaalsContact O-N 3.17Å; I303-T307 PolarHBondContact O-N 3.47Å; I303-T307 PolarHBondContact O-OG1 3.24Å; I303-T307 VanDerWaalsContact O-OG1 3.04Å |
| 304 | A | 65.1 | Low | 65.3 | Low | 6 Ų | 6 | 35 Ų | 35 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.5 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L255 C300 F301 F302 T307 V308 | L255-A304 HydrophobicContact CD1-CB 3.97Å; C300-A304 WeakPolarHBondContact O-CB 3.26Å; C300-A304 PolarHBondContact O-N 3.02Å; F301-A304 PolarHBondContact O-N 3.06Å; F302-A304 VanDerWaalsContact C-N 3.29Å; F302-A304 PolarHBondContact O-N 2.94Å; A304-T307 PolarHBondContact O-N 3.43Å; A304-V308 WeakPolarHBondContact O-CG2 3.35Å; A304-V308 PolarHBondContact O-N 3.44Å |
| 305 | M | 78.2 | Confident | 66.7 | Low | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.044 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | 177.6 | -67 | -60.3 | 97.3 | 0 | 0 | 112.6 | F301 F302 I303 T307 V308 D309 A448 A488 V491 A492 | F301-M305 HydrophobicContact CD2-CG 4.06Å; F301-M305 HydrophobicContact CE2-CE 4.17Å; F301-M305 HydrophobicContact CE2-CG 3.68Å; F301-M305 HydrophobicContact CE2-SD 4.02Å; F301-M305 HydrophobicContact CZ-CG 4.28Å; F301-M305 WeakPolarHBondContact O-CG 3.15Å; F301-M305 PolarHBondContact O-N 3.36Å; F301-M305 VanDerWaalsContact O-N 3.09Å; F302-M305 PolarHBondContact O-N 3Å; F302-M305 VanDerWaalsContact O-N 3.14Å; I303-M305 VanDerWaalsContact C-N 3.3Å; I303-M305 PolarHBondContact O-N 3.27Å; M305-T307 VanDerWaalsContact C-N 3.3Å; M305-T307 PolarHBondContact O-N 2.57Å; M305-V308 HydrophobicContact CE-CG2 4.23Å; M305-V308 PolarHBondContact O-N 2.65Å; M305-D309 PolarHBondContact O-N 3.44Å; M305-A448 HydrophobicContact SD-CB 3.76Å; M305-A488 HydrophobicContact CG-CB 4.14Å; M305-A488 WeakPolarHBondContact CG-O 3.39Å; M305-V491 VanDerWaalsContact C-CG1 3.44Å; M305-V491 HydrophobicContact CB-CB 3.94Å; M305-V491 HydrophobicContact CB-CG1 3.89Å; M305-V491 VanDerWaalsContact O-CG1 3.28Å; M305-V491 WeakPolarHBondContact O-CG1 3.19Å; M305-A492 HydrophobicContact CG-CB 4.43Å; M305-A492 HydrophobicContact SD-CB 3.86Å |
| 306 | V | 72.1 | Confident | 68 | Low | 27 Ų | 27 | 27 Ų | 27 | 16% | 0.164 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | F302 I303 D309 F310 V413 V491 | F302-V306 HydrophobicContact CD1-CG2 4.32Å; F302-V306 HydrophobicContact CD2-CG2 4.26Å; F302-V306 HydrophobicContact CE1-CG2 3.84Å; F302-V306 HydrophobicContact CE2-CG2 3.78Å; F302-V306 HydrophobicContact CZ-CG2 3.56Å; F302-V306 WeakPolarHBondContact O-CG2 3.46Å; F302-V306 PolarHBondContact O-N 2.84Å; I303-V306 PolarHBondContact O-N 3.4Å; I303-V306 VanDerWaalsContact O-N 3.17Å; V306-D309 PolarHBondContact O-N 3.43Å; V306-F310 WeakPolarHBondContact O-CB 3.21Å; V306-F310 PolarHBondContact O-N 2.93Å; V306-V413 HydrophobicContact CG2-CG1 4.31Å; V306-V491 HydrophobicContact CG2-CG1 4.33Å; V306-V491 HydrophobicContact CG2-CG2 4.09Å |
| 307 | T | 65.6 | Low | 68.2 | Low | 41 Ų | 41 | 24.9 Ų | 24.9 | 25% | 0.252 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67 | -40.8 | 176.3 | -54 | 0 | 0 | 0 | 0 | 112.1 | I303 A304 M305 F310 I311 | I303-T307 PolarHBondContact O-N 3.47Å; I303-T307 PolarHBondContact O-OG1 3.24Å; I303-T307 VanDerWaalsContact O-OG1 3.04Å; A304-T307 PolarHBondContact O-N 3.43Å; M305-T307 VanDerWaalsContact C-N 3.3Å; M305-T307 PolarHBondContact O-N 2.57Å; T307-F310 WeakPolarHBondContact O-CB 3.36Å; T307-F310 PolarHBondContact O-N 2.88Å; T307-I311 HydrophobicContact CG2-CD1 4.18Å; T307-I311 WeakPolarHBondContact O-CG1 3.32Å; T307-I311 PolarHBondContact O-N 3.29Å |
| 308 | V | 71.8 | Confident | 68.5 | Low | 19 Ų | 19 | 22.3 Ų | 22.3 | 12% | 0.115 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | A304 M305 F310 I311 V312 F441 L445 T495 | A304-V308 WeakPolarHBondContact O-CG2 3.35Å; A304-V308 PolarHBondContact O-N 3.44Å; M305-V308 HydrophobicContact CE-CG2 4.23Å; M305-V308 PolarHBondContact O-N 2.65Å; V308-F310 VanDerWaalsContact C-N 3.31Å; V308-F310 PolarHBondContact O-N 2.91Å; V308-I311 PolarHBondContact O-N 3Å; V308-V312 HydrophobicContact CG1-CG2 4.3Å; V308-V312 WeakPolarHBondContact O-CB 3.38Å; V308-V312 WeakPolarHBondContact O-CG2 3.28Å; V308-V312 PolarHBondContact O-N 2.92Å; V308-F441 HydrophobicContact CG1-CD1 4.24Å; V308-L445 HydrophobicContact CG1-CD2 4Å; V308-T495 HydrophobicContact CG1-CG2 4.33Å |
| 309 | D | 79.3 | Confident | 68 | Low | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 175.1 | -177.5 | 69.8 | 0 | 0 | 0 | 112.1 | M305 V306 V312 S313 M417 V491 T495 K498 | M305-D309 PolarHBondContact O-N 3.44Å; V306-D309 PolarHBondContact O-N 3.43Å; D309-V312 PolarHBondContact O-N 3.04Å; D309-S313 VanDerWaalsContact O-CB 3.22Å; D309-S313 WeakPolarHBondContact O-CB 3.36Å; D309-S313 PolarHBondContact O-N 2.94Å; D309-S313 PolarHBondContact O-OG 3.42Å; D309-M417 HydrophobicContact CB-CE 4.39Å; D309-M417 WeakPolarHBondContact OD2-CE 3.47Å; D309-V491 HydrophobicContact CB-CG1 3.85Å; D309-T495 WeakPolarHBondContact CB-OG1 3.46Å; D309-T495 PolarHBondContact OD1-OG1 2.79Å; D309-K498 WeakPolarHBondContact OD1-CD 3.16Å; D309-K498 WeakPolarHBondContact OD1-CE 3.24Å; D309-K498 IonicContact OD1-NZ 2.81Å; D309-K498 PolarHBondContact OD1-NZ 2.99Å; D309-K498 IonicContact OD2-NZ 3.7Å; D309-K498 PolarHBondContact OD2-NZ 3.41Å |
| 310 | F | 68.3 | Low | 67.4 | Low | 55 Ų | 55 | 26.4 Ų | 26.4 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 176.4 | 178.5 | -82.8 | 0 | 0 | 0 | 111.3 | V306 T307 V308 S313 G314 V320 | V306-F310 WeakPolarHBondContact O-CB 3.21Å; V306-F310 PolarHBondContact O-N 2.93Å; T307-F310 WeakPolarHBondContact O-CB 3.36Å; T307-F310 PolarHBondContact O-N 2.88Å; V308-F310 VanDerWaalsContact C-N 3.31Å; V308-F310 PolarHBondContact O-N 2.91Å; F310-S313 PolarHBondContact O-N 3.41Å; F310-G314 PolarHBondContact O-N 2.94Å; F310-V320 HydrophobicContact CD2-CB 4.28Å; F310-V320 HydrophobicContact CD2-CG1 3.2Å; F310-V320 HydrophobicContact CE2-CB 3.88Å; F310-V320 HydrophobicContact CE2-CG1 3.2Å; F310-V320 HydrophobicContact CG-CG1 4.05Å; F310-V320 HydrophobicContact CZ-CB 4.33Å; F310-V320 HydrophobicContact CZ-CG1 4.07Å |
| 311 | I | 66.7 | Low | 66.9 | Low | 20 Ų | 20 | 29 Ų | 29 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 179 | -68.7 | 165 | 0 | 0 | 0 | 110.7 | Y215 T307 V308 S313 G314 L315 F441 | Y215-I311 HydrophobicContact CE2-CG2 4.25Å; Y215-I311 VanDerWaalsContact OH-CG2 3.28Å; Y215-I311 WeakPolarHBondContact OH-CG2 3.29Å; T307-I311 HydrophobicContact CG2-CD1 4.18Å; T307-I311 WeakPolarHBondContact O-CG1 3.32Å; T307-I311 PolarHBondContact O-N 3.29Å; V308-I311 PolarHBondContact O-N 3Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.3Å; I311-G314 PolarHBondContact O-N 3.44Å; I311-L315 HydrophobicContact CG2-CD1 3.92Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CG 2.92Å; I311-L315 PolarHBondContact O-N 3.3Å; I311-F441 HydrophobicContact CG2-CE2 4.38Å; I311-F441 HydrophobicContact CG2-CZ 3.8Å |
| 312 | V | 75.1 | Confident | 65.7 | Low | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 179.4 | 166.5 | 0 | 0 | 0 | 0 | 110.9 | V308 D309 G314 L315 M316 F441 T495 I499 | V308-V312 HydrophobicContact CG1-CG2 4.3Å; V308-V312 WeakPolarHBondContact O-CB 3.38Å; V308-V312 WeakPolarHBondContact O-CG2 3.28Å; V308-V312 PolarHBondContact O-N 2.92Å; D309-V312 PolarHBondContact O-N 3.04Å; V312-G314 PolarHBondContact O-N 3.27Å; V312-L315 PolarHBondContact O-N 3.49Å; V312-M316 HydrophobicContact CG1-CE 3.58Å; V312-M316 HydrophobicContact CG1-SD 4.49Å; V312-M316 WeakPolarHBondContact O-CG 3.34Å; V312-M316 PolarHBondContact O-N 3.38Å; V312-F441 HydrophobicContact CG2-CD2 3.88Å; V312-F441 HydrophobicContact CG2-CE2 3.99Å; V312-T495 HydrophobicContact CB-CG2 3.83Å; V312-T495 HydrophobicContact CG1-CG2 3.85Å; V312-T495 HydrophobicContact CG2-CG2 3.75Å; V312-I499 HydrophobicContact CG1-CD1 3.93Å; V312-I499 HydrophobicContact CG1-CG1 3.57Å; V312-I499 HydrophobicContact CG2-CD1 4.24Å |
| 313 | S | 75 | Confident | 64.1 | Low | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.9 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | D309 F310 I311 M316 G317 F318 K498 | D309-S313 VanDerWaalsContact O-CB 3.22Å; D309-S313 WeakPolarHBondContact O-CB 3.36Å; D309-S313 PolarHBondContact O-N 2.94Å; D309-S313 PolarHBondContact O-OG 3.42Å; F310-S313 PolarHBondContact O-N 3.41Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.3Å; S313-M316 PolarHBondContact O-N 3.14Å; S313-G317 PolarHBondContact O-N 3.09Å; S313-F318 WeakPolarHBondContact O-CB 3.13Å; S313-F318 WeakPolarHBondContact O-CD2 3.33Å; S313-F318 PolarHBondContact O-N 3.46Å; S313-K498 PolarHBondContact OG-NZ 3.42Å |
| 314 | G | 65.1 | Low | 63 | Low | 37 Ų | 37 | 37.1 Ų | 37.1 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F310 I311 V312 M316 G317 | F310-G314 PolarHBondContact O-N 2.94Å; I311-G314 PolarHBondContact O-N 3.44Å; V312-G314 PolarHBondContact O-N 3.27Å; G314-M316 VanDerWaalsContact C-N 3.28Å; G314-M316 PolarHBondContact O-N 3.41Å; G314-G317 PolarHBondContact O-N 2.76Å |
| 315 | L | 66.5 | Low | 61.8 | Low | 40 Ų | 40 | 41.5 Ų | 41.5 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -31.1 | 176.9 | -73.2 | 173.7 | 0 | 0 | 0 | 113 | Y215 I311 V312 G317 P432 F441 | Y215-L315 HydrophobicContact CD1-CD2 4.34Å; Y215-L315 HydrophobicContact CE1-CD2 3.87Å; I311-L315 HydrophobicContact CG2-CD1 3.92Å; I311-L315 HydrophobicContact CG2-CG 4.33Å; I311-L315 WeakPolarHBondContact O-CG 2.92Å; I311-L315 PolarHBondContact O-N 3.3Å; V312-L315 PolarHBondContact O-N 3.49Å; L315-G317 VanDerWaalsContact C-N 3.25Å; L315-P432 HydrophobicContact CB-CG 4.43Å; L315-P432 HydrophobicContact CD2-CG 4.43Å; L315-P432 WeakPolarHBondContact O-CD 3.47Å; L315-F441 HydrophobicContact CD1-CE2 4Å; L315-F441 HydrophobicContact CD1-CZ 4.5Å |
| 316 | M | 68.5 | Low | 59.6 | Low | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.7 | 174.5 | -69.3 | -167 | -68.5 | 0 | 0 | 113.5 | V312 S313 G314 F318 M437 K498 H502 | V312-M316 HydrophobicContact CG1-CE 3.58Å; V312-M316 HydrophobicContact CG1-SD 4.49Å; V312-M316 WeakPolarHBondContact O-CG 3.34Å; V312-M316 PolarHBondContact O-N 3.38Å; S313-M316 PolarHBondContact O-N 3.14Å; G314-M316 VanDerWaalsContact C-N 3.28Å; G314-M316 PolarHBondContact O-N 3.41Å; M316-F318 HydrophobicContact CB-CD2 3.62Å; M316-F318 HydrophobicContact CB-CE2 3.51Å; M316-F318 HydrophobicContact CE-CD2 4.02Å; M316-F318 HydrophobicContact CE-CE2 3.55Å; M316-F318 HydrophobicContact CG-CE2 4.36Å; M316-F318 HydrophobicContact SD-CE2 4.04Å; M316-M437 HydrophobicContact CG-CE 4.07Å; M316-M437 HydrophobicContact CG-SD 3.94Å; M316-M437 HydrophobicContact SD-CE 4.25Å; M316-K498 HydrophobicContact CE-CB 3.64Å; M316-K498 HydrophobicContact CE-CD 4.41Å; M316-H502 HydrophobicContact SD-CB 4.06Å |
| 317 | G | 63.3 | Low | 57.7 | Low | 46 Ų | 46 | 57.3 Ų | 57.3 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 15 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S313 G314 L315 | S313-G317 PolarHBondContact O-N 3.09Å; G314-G317 PolarHBondContact O-N 2.76Å; L315-G317 VanDerWaalsContact C-N 3.25Å |
| 318 | F | 63.5 | Low | 55.9 | Low | 21 Ų | 21 | 63.3 Ų | 63.3 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | trans | -70.7 | 138.7 | 172.4 | -65.8 | -74 | 0 | 0 | 0 | 110.2 | S313 M316 V320 T422 F427 H502 | S313-F318 WeakPolarHBondContact O-CB 3.13Å; S313-F318 WeakPolarHBondContact O-CD2 3.33Å; S313-F318 PolarHBondContact O-N 3.46Å; M316-F318 HydrophobicContact CB-CD2 3.62Å; M316-F318 HydrophobicContact CB-CE2 3.51Å; M316-F318 HydrophobicContact CE-CD2 4.02Å; M316-F318 HydrophobicContact CE-CE2 3.55Å; M316-F318 HydrophobicContact CG-CE2 4.36Å; M316-F318 HydrophobicContact SD-CE2 4.04Å; F318-V320 VanDerWaalsContact O-CG2 3.23Å; F318-V320 WeakPolarHBondContact O-CG2 3.33Å; F318-V320 PolarHBondContact O-N 3.35Å; F318-V320 VanDerWaalsContact O-N 3.1Å; F318-T422 WeakPolarHBondContact CE1-O 3.46Å; F318-F427 HydrophobicContact CE1-CE1 4.22Å; F318-F427 AromaticContact CZ-CE1 3.96Å; F318-F427 HydrophobicContact CZ-CE1 3.96Å; F318-H502 AromaticContact CZ-CD2 3.83Å; F318-H502 AromaticContact CZ-CE1 3.61Å; F318-H502 AromaticContact CZ-ND1 3.89Å; F318-H502 AromaticContact CZ-NE2 3.56Å | ||
| 319 | E | 55.7 | Low | 53.7 | Low | 96 Ų | 96 | 71 Ų | 71 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | trans | -67.4 | 109.4 | 171.7 | -158.5 | 175.5 | -178.1 | 0 | 0 | 108.4 | L361 | E319-L361 HydrophobicContact CG-CD2 4.16Å; E319-L361 VanDerWaalsContact OE2-CD2 3.27Å; E319-L361 WeakPolarHBondContact OE2-CD2 3.28Å | ||
| 320 | V | 52 | Low | 51.1 | Low | 45 Ų | 45 | 76.2 Ų | 76.2 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | trans | -93.3 | 119.6 | -173.1 | -160.3 | 0 | 0 | 0 | 0 | 110.2 | F310 F318 C322 | F310-V320 HydrophobicContact CD2-CB 4.28Å; F310-V320 HydrophobicContact CD2-CG1 3.2Å; F310-V320 HydrophobicContact CE2-CB 3.88Å; F310-V320 HydrophobicContact CE2-CG1 3.2Å; F310-V320 HydrophobicContact CG-CG1 4.05Å; F310-V320 HydrophobicContact CZ-CB 4.33Å; F310-V320 HydrophobicContact CZ-CG1 4.07Å; F318-V320 VanDerWaalsContact O-CG2 3.23Å; F318-V320 WeakPolarHBondContact O-CG2 3.33Å; F318-V320 PolarHBondContact O-N 3.35Å; F318-V320 VanDerWaalsContact O-N 3.1Å; V320-C322 PolarHBondContact O-N 3.04Å | ||
| 321 | D | 48.3 | Very low | 49 | Very low | 76 Ų | 76 | 78.9 Ų | 78.9 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | trans | -74.6 | 89.8 | 176.9 | -168.2 | -6.9 | 0 | 0 | 0 | 110.7 | L323 L324 | D321-L323 PolarHBondContact O-N 2.99Å; D321-L323 WeakPolarHBondContact OD1-CB 3.43Å; D321-L323 VanDerWaalsContact OD1-CG 3.28Å; D321-L323 WeakPolarHBondContact OD1-CG 3.38Å; D321-L323 PolarHBondContact OD1-N 3.38Å; D321-L323 VanDerWaalsContact OD1-N 3.1Å; D321-L324 PolarHBondContact O-N 3Å | ||
| 322 | C | 43.1 | Very low | 46.9 | Very low | 39 Ų | 39 | 82.9 Ų | 82.9 | 26% | 0.264 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -13.6 | 177.3 | -64.4 | 0 | 0 | 0 | 0 | 113.7 | V320 L324 V325 R326 | V320-C322 PolarHBondContact O-N 3.04Å; C322-L324 PolarHBondContact O-N 3.43Å; C322-V325 PolarHBondContact O-N 3.17Å; C322-R326 PolarHBondContact O-N 3.49Å |
| 323 | L | 37.9 | Very low | 44.4 | Very low | 109 Ų | 109 | 90.1 Ų | 90.1 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.2 | -25.7 | 178.9 | -64.4 | 173.8 | 0 | 0 | 0 | 113 | D321 V325 R326 | D321-L323 PolarHBondContact O-N 2.99Å; D321-L323 WeakPolarHBondContact OD1-CB 3.43Å; D321-L323 VanDerWaalsContact OD1-CG 3.28Å; D321-L323 WeakPolarHBondContact OD1-CG 3.38Å; D321-L323 PolarHBondContact OD1-N 3.38Å; D321-L323 VanDerWaalsContact OD1-N 3.1Å; L323-V325 PolarHBondContact O-N 3.22Å; L323-R326 PolarHBondContact O-N 3.1Å |
| 324 | L | 42.1 | Very low | 41.9 | Very low | 76 Ų | 76 | 98 Ų | 98 | 40% | 0.398 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.2 | -33.8 | 174.9 | -88.2 | 152.2 | 0 | 0 | 0 | 112.1 | D321 C322 V413 E416 | D321-L324 PolarHBondContact O-N 3Å; C322-L324 PolarHBondContact O-N 3.43Å; L324-V413 HydrophobicContact CD2-CG1 4.33Å; L324-E416 HydrophobicContact CD2-CB 4.1Å |
| 325 | V | 39.9 | Very low | 39.9 | Very low | 97 Ų | 97 | 105.3 Ų | 105.3 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -85.5 | -29.6 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 112 | C322 L323 R327 | C322-V325 PolarHBondContact O-N 3.17Å; L323-V325 PolarHBondContact O-N 3.22Å; V325-R327 VanDerWaalsContact C-N 3.33Å; V325-R327 PolarHBondContact O-N 2.97Å |
| 326 | R | 32.5 | Very low | 37.8 | Very low | 163 Ų | 163 | 108.6 Ų | 108.6 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.8 | -4.8 | -172.5 | -79.7 | -171.8 | -177.5 | 178.7 | 2.3 | 116.1 | C322 L323 E328 | C322-R326 PolarHBondContact O-N 3.49Å; L323-R326 PolarHBondContact O-N 3.1Å; R326-E328 PolarHBondContact O-N 3.12Å |
| 327 | R | 31.7 | Very low | 35.6 | Very low | 205 Ų | 205 | 115.1 Ų | 115.1 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 4.3 | -173.1 | -102.1 | -175.4 | 177.1 | 168.1 | 1.1 | 115.9 | V325 Q329 | V325-R327 VanDerWaalsContact C-N 3.33Å; V325-R327 PolarHBondContact O-N 2.97Å; R327-Q329 PolarHBondContact O-N 3.11Å; R327-Q329 VanDerWaalsContact O-N 3.17Å |
| 328 | E | 28.4 | Very low | 33.7 | Very low | 168 Ų | 168 | 118.3 Ų | 118.3 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 15.1 | 173.5 | -75.7 | -166.1 | 163.1 | 0 | 0 | 116.1 | R326 V330 | R326-E328 PolarHBondContact O-N 3.12Å; E328-V330 PolarHBondContact O-N 3.07Å |
| 329 | Q | 25.3 | Very low | 31.8 | Very low | 180 Ų | 180 | 122.9 Ų | 122.9 | 84% | 0.841 | 65% | 0.649 | S | S | * | * | trans | -74.4 | 81 | 161.7 | -79.1 | -169.1 | -8.9 | 0 | 0 | 109.6 | R327 | R327-Q329 PolarHBondContact O-N 3.11Å; R327-Q329 VanDerWaalsContact O-N 3.17Å | ||
| 330 | V | 25 | Very low | 30.1 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -45.2 | 120.9 | 159.9 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | E328 S332 | E328-V330 PolarHBondContact O-N 3.07Å; V330-S332 PolarHBondContact O-N 3.35Å | ||
| 331 | P | 23.8 | Very low | 28.8 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | trans | -57.9 | 119.4 | -180 | -17.2 | 27.9 | 0 | 0 | 0 | 107.6 | I333 | P331-I333 PolarHBondContact O-N 3.33Š| ||
| 332 | S | 23.2 | Very low | 27.5 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -48.7 | 106.4 | 175.4 | 57 | 0 | 0 | 0 | 0 | 108.6 | V330 K334 | V330-S332 PolarHBondContact O-N 3.35Å; S332-K334 PolarHBondContact O-N 2.95Å | ||
| 333 | I | 22.5 | Very low | 26.5 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -61.7 | 103.3 | 174.4 | -63.9 | 171.4 | 0 | 0 | 0 | 105.2 | P331 E335 | P331-I333 PolarHBondContact O-N 3.33Å; I333-E335 PolarHBondContact O-N 3.25Å; I333-E335 VanDerWaalsContact O-N 3.1Å | ||
| 334 | K | 22.6 | Very low | 25.7 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | -64.6 | 111.1 | 168.8 | -80.9 | -175 | 174.1 | -176 | 0 | 106.4 | S332 T336 | S332-K334 PolarHBondContact O-N 2.95Å; K334-T336 PolarHBondContact O-N 3.46Å | ||
| 335 | E | 21.4 | Very low | 24.7 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -59.6 | 83.9 | 162.5 | -70.5 | 178.2 | 156.7 | 0 | 0 | 108.6 | I333 | I333-E335 PolarHBondContact O-N 3.25Å; I333-E335 VanDerWaalsContact O-N 3.1Å | ||
| 336 | T | 22.7 | Very low | 23.8 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -101.5 | 99.5 | 162.6 | 38.4 | 0 | 0 | 0 | 0 | 107.2 | K334 P338 | K334-T336 PolarHBondContact O-N 3.46Å; T336-P338 WeakPolarHBondContact O-CD 3.42Å; T336-P338 VanDerWaalsContact O-N 3.13Å | ||
| 337 | T | 22 | Very low | 23.3 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -46.3 | 107.2 | 164.9 | 40.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 338 | P | 24.8 | Very low | 22.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -92.5 | 112.6 | 179.2 | 13.9 | 4.9 | 0 | 0 | 0 | 108.8 | T336 L340 | T336-P338 WeakPolarHBondContact O-CD 3.42Å; T336-P338 VanDerWaalsContact O-N 3.13Å; P338-L340 PolarHBondContact O-N 3.01Å; P338-L340 VanDerWaalsContact O-N 3.16Å | ||
| 339 | S | 23.1 | Very low | 22.5 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -60.1 | 111.7 | 164.1 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | S341 | S339-S341 PolarHBondContact O-N 3.26Š| ||
| 340 | L | 20.9 | Very low | 22.2 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | -61.9 | 113.6 | 174 | -84.7 | 112.4 | 0 | 0 | 0 | 111.5 | P338 | P338-L340 PolarHBondContact O-N 3.01Å; P338-L340 VanDerWaalsContact O-N 3.16Å | ||
| 341 | S | 23.2 | Very low | 22 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -156.1 | 115.5 | 146 | 49 | 0 | 0 | 0 | 0 | 111.2 | S339 | S339-S341 PolarHBondContact O-N 3.26Š| ||
| 342 | S | 21.1 | Very low | 21.9 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 54.7 | 110.9 | 154.2 | 70.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 343 | L | 22.5 | Very low | 21.8 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | -177.7 | 126.6 | 99.6 | -113.3 | 93.8 | 0 | 0 | 0 | 109.9 | |||||
| 344 | A | 20.3 | Very low | 21.9 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -81.4 | 132 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 345 | S | 22.4 | Very low | 21.8 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -178.2 | 121.8 | 138 | 28.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 346 | S | 19.9 | Very low | 22 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -36.7 | 137.2 | 163.5 | 47 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 347 | Q | 22.1 | Very low | 22 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | -175.5 | 144.7 | 118.3 | -98.2 | 171.1 | 15.4 | 0 | 0 | 112 | |||||
| 348 | S | 20.2 | Very low | 22.1 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -53 | 131.5 | -174.9 | 50.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 349 | L | 22.6 | Very low | 22.1 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -117.5 | 118.6 | 160 | -102.9 | 91.9 | 0 | 0 | 0 | 111 | ||||
| 350 | S | 20.7 | Very low | 22.2 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -72.2 | 140.8 | 170.8 | 40.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 351 | Q | 20 | Very low | 22.3 | Very low | 191 Ų | 191 | 126 Ų | 126 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -65.5 | 132.8 | 172.9 | -66.4 | 163.7 | -22.4 | 0 | 0 | 111.2 | ||||
| 352 | S | 21.2 | Very low | 22.3 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -151.3 | 123.8 | 143.1 | 60.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 353 | T | 22.1 | Very low | 22.5 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -148.8 | 130.3 | 174.7 | -5.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 354 | I | 23.4 | Very low | 22.7 | Very low | 159 Ų | 159 | 126.2 Ų | 126.2 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | trans | 94 | 106.8 | 141.3 | -59.9 | 155.9 | 0 | 0 | 0 | 117.7 | ||||
| 355 | S | 20.9 | Very low | 22.9 | Very low | 74 Ų | 74 | 128 Ų | 128 | 52% | 0.517 | 73% | 0.726 | S | S | . | * | trans | -129.3 | 142.6 | 145.5 | 94 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 356 | Q | 26.7 | Very low | 22.9 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | trans | 96.6 | 104.2 | 151.4 | -63.3 | 174.6 | 28 | 0 | 0 | 121.3 | ||||
| 357 | T | 23.1 | Very low | 23.1 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 56% | 0.558 | 72% | 0.722 | S | S | * | * | trans | -129 | 117.7 | 148.4 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | K420 | T357-K420 WeakPolarHBondContact O-CE 3.38Å; T357-K420 PolarHBondContact O-NZ 3.32Å; T357-K420 PolarHBondContact OG1-NZ 2.91Å | ||
| 358 | S | 22.9 | Very low | 23.1 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | -159.8 | 112.7 | 160 | 57.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 359 | S | 24.8 | Very low | 23.3 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | 169.1 | 14.8 | 163.1 | 41.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 360 | F | 24.8 | Very low | 24.3 | Very low | 180 Ų | 180 | 126 Ų | 126 | 79% | 0.789 | 72% | 0.715 | S | S | * | * | trans | -87.9 | -16.1 | -174.7 | -111.1 | -87 | 0 | 0 | 0 | 116.5 | ||||
| 361 | L | 22.7 | Very low | 24.4 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 51% | 0.513 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.2 | -0.3 | -163 | -85.2 | 163.4 | 0 | 0 | 0 | 117.7 | E319 | E319-L361 HydrophobicContact CG-CD2 4.16Å; E319-L361 VanDerWaalsContact OE2-CD2 3.27Å; E319-L361 WeakPolarHBondContact OE2-CD2 3.28Å |
| 362 | R | 23.5 | Very low | 24.5 | Very low | 254 Ų | 254 | 120 Ų | 120 | 96% | 0.958 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -4.3 | 179 | -103.6 | -175.4 | -152.3 | 169.4 | 7.3 | 116.2 | ||
| 363 | A | 26.7 | Very low | 24.5 | Very low | 46 Ų | 46 | 119.1 Ų | 119.1 | 38% | 0.38 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -104.8 | -8.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 364 | A | 25.2 | Very low | 24.5 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 57% | 0.57 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -87 | -16.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 365 | I | 24.5 | Very low | 24.5 | Very low | 135 Ų | 135 | 121 Ų | 121 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -89.2 | -8.7 | -167.2 | -64.5 | 177.9 | 0 | 0 | 0 | 114.5 | ||
| 366 | K | 23.9 | Very low | 24.6 | Very low | 208 Ų | 208 | 127.1 Ų | 127.1 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -114.5 | 9 | -172 | -125.3 | 177.2 | -175.7 | 177 | 0 | 118.9 | ||
| 367 | S | 24.1 | Very low | 24.4 | Very low | 72 Ų | 72 | 126.3 Ų | 126.3 | 50% | 0.503 | 73% | 0.728 | S | S | . | * | trans | -149.5 | 86.8 | 174.5 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 368 | G | 21.4 | Very low | 24.3 | Very low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -92 | 129.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 369 | L | 24.4 | Very low | 24.3 | Very low | 167 Ų | 167 | 132 Ų | 132 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | 96.1 | 151.8 | 146 | -106.6 | 83.4 | 0 | 0 | 0 | 121.3 | ||||
| 370 | P | 43.1 | Very low | 24.5 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | -136.1 | 163.2 | -94.6 | 42.5 | -25.5 | 0 | 0 | 0 | 115.4 | |||||
| 371 | G | 23.3 | Very low | 25.2 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -138.6 | 124 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 372 | A | 21.9 | Very low | 25.2 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | -91.2 | 160.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 373 | A | 21.4 | Very low | 25.2 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | trans | 77.3 | 113.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 374 | K | 22.3 | Very low | 24.9 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | 167.6 | 102.8 | 100.6 | -88.2 | 171.9 | -176.4 | 176.3 | 0 | 110.9 | |||||
| 375 | T | 22.6 | Very low | 24.9 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -129.8 | 104.8 | 155.2 | 35.2 | 0 | 0 | 0 | 0 | 110.3 | K96 E377 | K96-T375 VanDerWaalsContact CE-O 3.31Å; K96-T375 WeakPolarHBondContact CE-O 3.27Å; K96-T375 PolarHBondContact NZ-O 3.25Å; T375-E377 PolarHBondContact O-N 3.5Å | ||
| 376 | K | 23.8 | Very low | 24.7 | Very low | 203 Ų | 203 | 135.3 Ų | 135.3 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -46.1 | 122.6 | 153 | -71.8 | 172.7 | 167.6 | -179.4 | 0 | 107.7 | ||||
| 377 | E | 22 | Very low | 24.7 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 60% | 0.603 | 77% | 0.774 | S | S | * | * | 56.9 | 140 | 67.6 | -120.4 | -178.6 | -133.4 | 0 | 0 | 114.5 | K96 T375 | K96-E377 HydrophobicContact CD-CG 4.26Å; T375-E377 PolarHBondContact O-N 3.5Å | |||
| 378 | T | 21.6 | Very low | 24.5 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | 92.4 | 130.4 | -178.6 | 66.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 379 | K | 22.7 | Very low | 24.5 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | cis | -167.3 | 131.8 | 8.6 | -111.4 | 162.5 | -172.1 | -177.9 | 0 | 108.3 | ||||
| 380 | Q | 28.5 | Very low | 24.4 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -62.5 | -177.3 | 147.5 | -84.8 | -175.7 | -15.1 | 0 | 0 | 109.9 | ||||
| 381 | P | 39.9 | Very low | 23.4 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | cis | -136.8 | -163.5 | -15.7 | 24.6 | 0.7 | 0 | 0 | 0 | 111.2 | ||||
| 382 | S | 21.5 | Very low | 23.3 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 116.4 | 131.2 | 147.1 | -43.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 383 | A | 24.5 | Very low | 23.3 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | cis | -150.1 | 147.3 | 24.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 384 | M | 20.4 | Very low | 23.4 | Very low | 172 Ų | 172 | 143 Ų | 143 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -64.6 | 121.5 | 170.4 | -169.6 | 167.6 | 71.7 | 0 | 0 | 110.3 | ||||
| 385 | V | 24.6 | Very low | 23.6 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -124.9 | 114.9 | 160.6 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 386 | K | 21.2 | Very low | 23.8 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -60.8 | 127.3 | 178.1 | -76.2 | 171.7 | 170.8 | 175.9 | 0 | 110.8 | ||||
| 387 | P | 23.1 | Very low | 23.9 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -87.1 | 115.9 | 169.7 | 30.5 | -25.4 | 0 | 0 | 0 | 109.9 | ||||
| 388 | S | 21.2 | Very low | 24.2 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -78.7 | 138.2 | 172.5 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 389 | Q | 20.7 | Very low | 24.5 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -58 | 128.7 | 179.9 | -60.8 | 159.3 | -3 | 0 | 0 | 111.9 | ||||
| 390 | T | 22.5 | Very low | 24.7 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -147.7 | 107.3 | 149.2 | 32.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 391 | T | 21.1 | Very low | 24.6 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -50 | 127.8 | 159.5 | 38.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 392 | T | 22.4 | Very low | 24.1 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -164.4 | 99.9 | 141.8 | 41.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 393 | T | 21.7 | Very low | 24.4 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 23.7 | 126.7 | 131.5 | 44.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 394 | T | 23.3 | Very low | 24.8 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 77.8 | 95.3 | 135.1 | 55.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 395 | T | 25.7 | Very low | 26.4 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | 177.9 | 144.7 | 101.8 | 27.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 396 | P | 26.7 | Very low | 28.1 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 130.3 | -161.1 | 31.2 | -32.6 | 0 | 0 | 0 | 112.1 | ||
| 397 | P | 26.8 | Very low | 30.4 | Very low | 114 Ų | 114 | 112.2 Ų | 112.2 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 151.4 | 171.2 | 32.1 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 398 | P | 27.8 | Very low | 32.7 | Very low | 116 Ų | 116 | 110 Ų | 110 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 151.8 | -175.9 | 27.8 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 399 | P | 29 | Very low | 35 | Very low | 119 Ų | 119 | 108 Ų | 108 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 141 | -170.6 | 26.2 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 400 | P | 25.9 | Very low | 37.5 | Very low | 113 Ų | 113 | 99 Ų | 99 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 151.9 | 179.1 | 28.2 | -33.1 | 0 | 0 | 0 | 110.5 | S402 | P400-S402 PolarHBondContact O-N 2.93Š|
| 401 | P | 26.6 | Very low | 40.2 | Very low | 126 Ų | 126 | 96.1 Ų | 96.1 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 126.7 | -175.8 | 25.4 | -32.1 | 0 | 0 | 0 | 109.8 | G403 | P401-G403 PolarHBondContact O-N 3.46Š|
| 402 | S | 29 | Very low | 42.8 | Very low | 120 Ų | 120 | 93 Ų | 93 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | trans | -45.9 | 120.2 | 178.8 | 26.1 | 0 | 0 | 0 | 0 | 111.2 | P400 | P400-S402 PolarHBondContact O-N 2.93Š| ||
| 403 | G | 27.7 | Very low | 45.3 | Very low | 66 Ų | 66 | 88 Ų | 88 | 68% | 0.68 | 56% | 0.558 | S | S | * | * | trans | -54 | 151.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P401 A405 | P401-G403 PolarHBondContact O-N 3.46Å; G403-A405 PolarHBondContact O-N 3.13Å | ||
| 404 | L | 33 | Very low | 48.3 | Very low | 141 Ų | 141 | 82.3 Ų | 82.3 | 74% | 0.738 | 52% | 0.523 | S | S | * | . | trans | -38.6 | 126.8 | 178.4 | -77.5 | 142.8 | 0 | 0 | 0 | 111.4 | T406 | L404-T406 PolarHBondContact O-N 3.31Š| ||
| 405 | A | 55.1 | Low | 51.1 | Low | 51 Ų | 51 | 81.7 Ų | 81.7 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | trans | -60.3 | 138.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G403 S407 D408 | G403-A405 PolarHBondContact O-N 3.13Å; A405-S407 PolarHBondContact O-N 3.47Å; A405-D408 PolarHBondContact O-N 3.44Å | ||
| 406 | T | 61.1 | Low | 53.5 | Low | 45 Ų | 45 | 77.9 Ų | 77.9 | 28% | 0.276 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -50.5 | -33.8 | 179.9 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | Y299 L404 D408 I409 V410 E484 | Y299-T406 HydrophobicContact CD2-CG2 4.26Å; Y299-T406 HydrophobicContact CE2-CG2 4.41Å; Y299-T406 HydrophobicContact CG-CG2 4.49Å; L404-T406 PolarHBondContact O-N 3.31Å; T406-D408 VanDerWaalsContact C-N 3.31Å; T406-D408 PolarHBondContact O-N 3.22Å; T406-I409 PolarHBondContact O-N 3.16Å; T406-V410 WeakPolarHBondContact O-CG2 3.36Å; T406-V410 PolarHBondContact O-N 3.41Å; T406-V410 VanDerWaalsContact O-N 3.14Å; T406-E484 PolarHBondContact OG1-OE1 2.99Å |
| 407 | S | 68.6 | Low | 56 | Low | 27 Ų | 27 | 73 Ų | 73 | 19% | 0.189 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.3 | -38.9 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | A405 V410 Q411 | A405-S407 PolarHBondContact O-N 3.47Å; S407-V410 PolarHBondContact O-N 3.25Å; S407-Q411 PolarHBondContact O-N 3.05Å |
| 408 | D | 70.2 | Confident | 58.6 | Low | 77 Ų | 77 | 67.7 Ų | 67.7 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.5 | -38.7 | -175.9 | -63.9 | -18.1 | 0 | 0 | 0 | 110.6 | A405 T406 T412 | A405-D408 PolarHBondContact O-N 3.44Å; T406-D408 VanDerWaalsContact C-N 3.31Å; T406-D408 PolarHBondContact O-N 3.22Å; D408-T412 VanDerWaalsContact O-CB 3.26Å; D408-T412 WeakPolarHBondContact O-CB 3.1Å; D408-T412 PolarHBondContact O-N 3.31Å; D408-T412 PolarHBondContact O-OG1 2.92Å |
| 409 | I | 70.2 | Confident | 60.7 | Low | 72 Ų | 72 | 65.4 Ų | 65.4 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 175.1 | -60.4 | 173.9 | 0 | 0 | 0 | 109.4 | T406 Q411 T412 V413 | T406-I409 PolarHBondContact O-N 3.16Å; I409-Q411 PolarHBondContact O-N 3Å; I409-T412 PolarHBondContact O-N 3.38Å; I409-V413 HydrophobicContact CG2-CG2 4.46Å; I409-V413 WeakPolarHBondContact O-CG2 3.34Å; I409-V413 PolarHBondContact O-N 3.26Å |
| 410 | V | 73.7 | Confident | 62.5 | Low | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 179.8 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | Y299 F302 T406 S407 T412 V413 L414 E484 A487 | Y299-V410 HydrophobicContact CD2-CG2 3.72Å; Y299-V410 HydrophobicContact CE2-CG2 3.84Å; F302-V410 HydrophobicContact CD1-CB 4.2Å; F302-V410 HydrophobicContact CD1-CG1 4.03Å; F302-V410 HydrophobicContact CD1-CG2 3.49Å; F302-V410 VanDerWaalsContact CD1-CG2 3.49Å; F302-V410 HydrophobicContact CD2-CG1 3.86Å; F302-V410 HydrophobicContact CE1-CB 4.06Å; F302-V410 HydrophobicContact CE1-CG1 3.97Å; F302-V410 HydrophobicContact CE1-CG2 3.74Å; F302-V410 HydrophobicContact CE2-CG1 3.8Å; F302-V410 HydrophobicContact CG-CG1 3.95Å; F302-V410 HydrophobicContact CG-CG2 4.02Å; F302-V410 HydrophobicContact CZ-CB 4.31Å; F302-V410 HydrophobicContact CZ-CG1 3.84Å; F302-V410 HydrophobicContact CZ-CG2 4.45Å; T406-V410 WeakPolarHBondContact O-CG2 3.36Å; T406-V410 PolarHBondContact O-N 3.41Å; T406-V410 VanDerWaalsContact O-N 3.14Å; S407-V410 PolarHBondContact O-N 3.25Å; V410-T412 VanDerWaalsContact C-N 3.32Å; V410-T412 PolarHBondContact O-N 3.03Å; V410-V413 PolarHBondContact O-N 3.17Å; V410-L414 PolarHBondContact O-N 3.45Å; V410-E484 HydrophobicContact CB-CG 4.5Å; V410-E484 HydrophobicContact CG2-CB 4.42Å; V410-E484 HydrophobicContact CG2-CG 3.84Å; V410-A487 HydrophobicContact CG1-CB 3.16Å |
| 411 | Q | 79.3 | Confident | 64.1 | Low | 77 Ų | 77 | 60.5 Ų | 60.5 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 178.4 | -73.8 | -158.3 | -8.3 | 0 | 0 | 112.1 | S407 I409 L414 K415 I483 M575 | S407-Q411 PolarHBondContact O-N 3.05Å; I409-Q411 PolarHBondContact O-N 3Å; Q411-L414 PolarHBondContact O-N 2.89Å; Q411-K415 WeakPolarHBondContact O-CB 3.49Å; Q411-K415 PolarHBondContact O-N 3.47Å; Q411-I483 HydrophobicContact CG-CG2 3.87Å; Q411-M575 HydrophobicContact CB-CE 4.08Å; Q411-M575 HydrophobicContact CG-CE 4.02Å |
| 412 | T | 76.2 | Confident | 65.6 | Low | 68 Ų | 68 | 56.9 Ų | 56.9 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | D408 I409 V410 K415 E416 | D408-T412 VanDerWaalsContact O-CB 3.26Å; D408-T412 WeakPolarHBondContact O-CB 3.1Å; D408-T412 PolarHBondContact O-N 3.31Å; D408-T412 PolarHBondContact O-OG1 2.92Å; I409-T412 PolarHBondContact O-N 3.38Å; V410-T412 VanDerWaalsContact C-N 3.32Å; V410-T412 PolarHBondContact O-N 3.03Å; T412-K415 PolarHBondContact O-N 3.3Å; T412-E416 PolarHBondContact O-N 3.14Å |
| 413 | V | 74.6 | Confident | 66.8 | Low | 25 Ų | 25 | 51.8 Ų | 51.8 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -50.8 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | F302 V306 L324 I409 V410 K415 E416 M417 | F302-V413 HydrophobicContact CE1-CB 4.34Å; F302-V413 HydrophobicContact CE1-CG1 4.31Å; F302-V413 HydrophobicContact CZ-CB 3.99Å; F302-V413 HydrophobicContact CZ-CG1 3.83Å; V306-V413 HydrophobicContact CG2-CG1 4.31Å; L324-V413 HydrophobicContact CD2-CG1 4.33Å; I409-V413 HydrophobicContact CG2-CG2 4.46Å; I409-V413 WeakPolarHBondContact O-CG2 3.34Å; I409-V413 PolarHBondContact O-N 3.26Å; V410-V413 PolarHBondContact O-N 3.17Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.2Å; V413-E416 PolarHBondContact O-N 3.21Å; V413-M417 HydrophobicContact CG1-SD 4.46Å; V413-M417 WeakPolarHBondContact O-CG 3.26Å; V413-M417 PolarHBondContact O-N 3.03Å |
| 414 | L | 83.1 | Confident | 68 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 179.3 | -173.8 | 65.8 | 0 | 0 | 0 | 111.7 | V410 Q411 M417 L418 A490 V491 I494 M531 M575 | V410-L414 PolarHBondContact O-N 3.45Å; Q411-L414 PolarHBondContact O-N 2.89Å; L414-M417 WeakPolarHBondContact O-CB 3.28Å; L414-M417 PolarHBondContact O-N 3Å; L414-L418 HydrophobicContact CG-CD1 4.18Å; L414-L418 WeakPolarHBondContact O-CG 3.44Å; L414-L418 PolarHBondContact O-N 2.68Å; L414-A490 HydrophobicContact CD1-CB 4.35Å; L414-A490 HydrophobicContact CD2-CB 4Å; L414-V491 HydrophobicContact CD1-CG2 3.99Å; L414-I494 HydrophobicContact CD1-CD1 3.71Å; L414-M531 HydrophobicContact CD2-CE 3.3Å; L414-M531 HydrophobicContact CD2-CG 3.75Å; L414-M531 HydrophobicContact CD2-SD 4.3Å; L414-M575 HydrophobicContact CD2-CE 4.32Å |
| 415 | K | 82.4 | Confident | 68.9 | Low | 106 Ų | 106 | 50.5 Ų | 50.5 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.1 | -175.9 | 167.6 | -172.2 | 178.6 | 0 | 112 | Q411 T412 V413 L418 I419 M575 | Q411-K415 WeakPolarHBondContact O-CB 3.49Å; Q411-K415 PolarHBondContact O-N 3.47Å; T412-K415 PolarHBondContact O-N 3.3Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.2Å; K415-L418 PolarHBondContact O-N 2.65Å; K415-I419 HydrophobicContact CG-CD1 3.73Å; K415-I419 HydrophobicContact CG-CG1 4.44Å; K415-I419 WeakPolarHBondContact O-CB 3.28Å; K415-I419 WeakPolarHBondContact O-CD1 3.4Å; K415-I419 WeakPolarHBondContact O-CG1 3.46Å; K415-I419 PolarHBondContact O-N 3.26Å; K415-M575 WeakPolarHBondContact CG-O 2.93Å |
| 416 | E | 77.1 | Confident | 68.6 | Low | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 172.9 | -77.6 | -70.3 | 151.2 | 0 | 0 | 111.8 | L324 T412 V413 L418 I419 K420 | L324-E416 HydrophobicContact CD2-CB 4.1Å; T412-E416 PolarHBondContact O-N 3.14Å; V413-E416 PolarHBondContact O-N 3.21Å; E416-L418 VanDerWaalsContact C-N 3.27Å; E416-L418 PolarHBondContact O-N 3.36Å; E416-I419 PolarHBondContact O-N 3.34Å; E416-K420 PolarHBondContact O-N 2.92Å; E416-K420 VanDerWaalsContact O-N 3.13Å; E416-K420 IonicContact OE2-NZ 2.88Å; E416-K420 PolarHBondContact OE2-NZ 3.21Å |
| 417 | M | 79.7 | Confident | 68.4 | Low | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -36.3 | 174.1 | -66.9 | -179.5 | 76 | 0 | 0 | 112.2 | D309 V413 L414 V491 I494 Y539 | D309-M417 HydrophobicContact CB-CE 4.39Å; D309-M417 WeakPolarHBondContact OD2-CE 3.47Å; V413-M417 HydrophobicContact CG1-SD 4.46Å; V413-M417 WeakPolarHBondContact O-CG 3.26Å; V413-M417 PolarHBondContact O-N 3.03Å; L414-M417 WeakPolarHBondContact O-CB 3.28Å; L414-M417 PolarHBondContact O-N 3Å; M417-V491 HydrophobicContact CE-CG1 4.38Å; M417-V491 HydrophobicContact SD-CG2 4.17Å; M417-I494 HydrophobicContact CE-CD1 4.31Å; M417-I494 HydrophobicContact CE-CG2 4.18Å; M417-Y539 PolarHBondContact O-OH 3.4Å |
| 418 | L | 81.4 | Confident | 67.8 | Low | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -81.9 | -23.2 | 179.2 | -64.5 | 171.1 | 0 | 0 | 0 | 113.6 | L414 K415 E416 I494 V538 Y539 M575 A576 | L414-L418 HydrophobicContact CG-CD1 4.18Å; L414-L418 WeakPolarHBondContact O-CG 3.44Å; L414-L418 PolarHBondContact O-N 2.68Å; K415-L418 PolarHBondContact O-N 2.65Å; E416-L418 VanDerWaalsContact C-N 3.27Å; E416-L418 PolarHBondContact O-N 3.36Å; L418-I494 HydrophobicContact CD2-CD1 4.46Å; L418-V538 HydrophobicContact CD2-CB 4.04Å; L418-V538 HydrophobicContact CD2-CG1 4.19Å; L418-V538 HydrophobicContact CD2-CG2 4.15Å; L418-Y539 HydrophobicContact CD2-CD2 4.44Å; L418-Y539 HydrophobicContact CD2-CE2 4.1Å; L418-M575 HydrophobicContact CD1-CB 3.6Å; L418-A576 HydrophobicContact CB-CB 4.06Å |
| 419 | I | 71.8 | Confident | 67.1 | Low | 69 Ų | 69 | 56.8 Ų | 56.8 | 35% | 0.354 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -80 | -34.1 | 178.2 | -70.5 | 165.6 | 0 | 0 | 0 | 111.7 | K415 E416 P421 | K415-I419 HydrophobicContact CG-CD1 3.73Å; K415-I419 HydrophobicContact CG-CG1 4.44Å; K415-I419 WeakPolarHBondContact O-CB 3.28Å; K415-I419 WeakPolarHBondContact O-CD1 3.4Å; K415-I419 WeakPolarHBondContact O-CG1 3.46Å; K415-I419 PolarHBondContact O-N 3.26Å; E416-I419 PolarHBondContact O-N 3.34Å; I419-P421 VanDerWaalsContact C-CD 3.41Å; I419-P421 WeakPolarHBondContact O-CD 3.41Å |
| 420 | K | 66.2 | Low | 66.5 | Low | 76 Ų | 76 | 60.2 Ų | 60.2 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -121.7 | 67.3 | 178.8 | -63.4 | -179.6 | -169.3 | 120.6 | 0 | 110.9 | T357 E416 T422 | T357-K420 WeakPolarHBondContact O-CE 3.38Å; T357-K420 PolarHBondContact O-NZ 3.32Å; T357-K420 PolarHBondContact OG1-NZ 2.91Å; E416-K420 PolarHBondContact O-N 2.92Å; E416-K420 VanDerWaalsContact O-N 3.13Å; E416-K420 IonicContact OE2-NZ 2.88Å; E416-K420 PolarHBondContact OE2-NZ 3.21Å; K420-T422 PolarHBondContact O-N 3.43Å |
| 421 | P | 60.2 | Low | 66.4 | Low | 52 Ų | 52 | 60.9 Ų | 60.9 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | trans | -68 | 122.6 | -178.9 | 33.2 | -37 | 0 | 0 | 0 | 109 | I419 V423 V538 Y539 | I419-P421 VanDerWaalsContact C-CD 3.41Å; I419-P421 WeakPolarHBondContact O-CD 3.41Å; P421-V423 HydrophobicContact CB-CG2 3.79Å; P421-V423 HydrophobicContact CG-CG2 4.42Å; P421-V423 PolarHBondContact O-N 3.39Å; P421-V538 HydrophobicContact CB-CG1 3.69Å; P421-V538 HydrophobicContact CG-CG1 4.03Å; P421-Y539 HydrophobicContact CB-CE1 4.07Å; P421-Y539 HydrophobicContact CB-CE2 4.33Å | ||
| 422 | T | 56.3 | Low | 65.8 | Low | 50 Ų | 50 | 59.5 Ų | 59.5 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | trans | -77 | 75.2 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | F318 K420 | F318-T422 WeakPolarHBondContact CE1-O 3.46Å; K420-T422 PolarHBondContact O-N 3.43Å | ||
| 423 | V | 55.3 | Low | 65.8 | Low | 14 Ų | 14 | 58.1 Ų | 58.1 | 9% | 0.085 | 33% | 0.328 | C | S | . | . | trans | -110.1 | -26.1 | -175.6 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | P421 H502 Y539 | P421-V423 HydrophobicContact CB-CG2 3.79Å; P421-V423 HydrophobicContact CG-CG2 4.42Å; P421-V423 PolarHBondContact O-N 3.39Å; V423-H502 PolarHBondContact O-NE2 2.96Å; V423-Y539 HydrophobicContact CG2-CD1 4.41Å | ||
| 424 | E | 52.7 | Low | 66.2 | Low | 141 Ų | 141 | 56.9 Ų | 56.9 | 66% | 0.659 | 32% | 0.321 | S | S | * | . | trans | -118 | 95.8 | -170.7 | -65 | -178.6 | 166.8 | 0 | 0 | 110.5 | R587 | E424-R587 IonicContact OE1-CZ 3.45Å; E424-R587 IonicContact OE1-NH1 2.99Å; E424-R587 PolarHBondContact OE1-NH1 3.49Å; E424-R587 IonicContact OE1-NH2 3.93Å; E424-R587 PolarHBondContact OE1-NH2 2.66Å | ||
| 425 | G | 51.4 | Low | 66 | Low | 38 Ų | 38 | 57.9 Ų | 57.9 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | trans | -150.4 | 146.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F427 | G425-F427 VanDerWaalsContact O-CE1 3.3Å; G425-F427 WeakPolarHBondContact O-CE1 3.48Å; G425-F427 WeakPolarHBondContact O-CE2 3.43Å; G425-F427 WeakPolarHBondContact O-CZ 3.46Å; G425-F427 PolarHBondContact O-N 3.19Å | ||
| 426 | T | 48.7 | Very low | 65.7 | Low | 128 Ų | 128 | 54 Ų | 54 | 79% | 0.785 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 123.3 | 170.9 | 40.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 427 | F | 57.5 | Low | 65.6 | Low | 66 Ų | 66 | 51.6 Ų | 51.6 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 136.3 | -170.7 | -52.7 | -71.4 | 0 | 0 | 0 | 111.7 | F318 G425 S429 H502 | F318-F427 HydrophobicContact CE1-CE1 4.22Å; F318-F427 AromaticContact CZ-CE1 3.96Å; F318-F427 HydrophobicContact CZ-CE1 3.96Å; G425-F427 VanDerWaalsContact O-CE1 3.3Å; G425-F427 WeakPolarHBondContact O-CE1 3.48Å; G425-F427 WeakPolarHBondContact O-CE2 3.43Å; G425-F427 WeakPolarHBondContact O-CZ 3.46Å; G425-F427 PolarHBondContact O-N 3.19Å; F427-S429 PolarHBondContact O-N 2.87Å; F427-H502 AromaticContact CE1-CD2 3.36Å; F427-H502 WeakPolarHBondContact CE1-CD2 3.45Å; F427-H502 AromaticContact CZ-CD2 3.46Å; F427-H502 VanDerWaalsContact CZ-CD2 3.46Å; F427-H502 WeakPolarHBondContact CZ-CD2 3.44Å |
| 428 | P | 55.1 | Low | 65.6 | Low | 55 Ų | 55 | 51.1 Ų | 51.1 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 129.7 | 167.7 | 23.7 | -27.8 | 0 | 0 | 0 | 109.1 | D430 K431 | P428-D430 PolarHBondContact O-N 2.7Å; P428-K431 HydrophobicContact CG-CB 4.44Å; P428-K431 PolarHBondContact O-N 3.03Å |
| 429 | S | 55.7 | Low | 65.1 | Low | 83 Ų | 83 | 56.3 Ų | 56.3 | 58% | 0.58 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24.6 | 173.5 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | F427 | F427-S429 PolarHBondContact O-N 2.87Š|
| 430 | D | 59 | Low | 64.6 | Low | 144 Ų | 144 | 56.2 Ų | 56.2 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 10.7 | -170.1 | -55.4 | -8.4 | 0 | 0 | 0 | 112.8 | P428 | P428-D430 PolarHBondContact O-N 2.7Š|
| 431 | K | 70.5 | Confident | 65 | Low | 15 Ų | 15 | 53.2 Ų | 53.2 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 148.9 | 177.7 | 77.8 | 177.3 | -176.6 | 77 | 0 | 111.4 | P428 H502 L504 | P428-K431 HydrophobicContact CG-CB 4.44Å; P428-K431 PolarHBondContact O-N 3.03Å; K431-H502 WeakPolarHBondContact CE-O 3.46Å; K431-H502 PolarHBondContact NZ-O 2.71Å; K431-L504 HydrophobicContact CD-CD2 4.5Å; K431-L504 VanDerWaalsContact CE-CD2 3.47Å; K431-L504 VanDerWaalsContact CE-CG 3.46Å; K431-L504 HydrophobicContact CG-CD1 4.33Å |
| 432 | P | 67.6 | Low | 65.5 | Low | 48 Ų | 48 | 50.8 Ų | 50.8 | 31% | 0.312 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 144.8 | 173.8 | -21.2 | 32.8 | 0 | 0 | 0 | 112.1 | L315 M437 | L315-P432 HydrophobicContact CB-CG 4.43Å; L315-P432 HydrophobicContact CD2-CG 4.43Å; L315-P432 WeakPolarHBondContact O-CD 3.47Å; P432-M437 HydrophobicContact CB-CG 4.15Å |
| 433 | A | 75.1 | Confident | 66.2 | Low | 38 Ų | 38 | 51.2 Ų | 51.2 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 139.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N435 S436 M437 E507 | A433-N435 VanDerWaalsContact C-N 3.31Å; A433-N435 PolarHBondContact O-N 3.41Å; A433-S436 VanDerWaalsContact O-CA 3.32Å; A433-S436 WeakPolarHBondContact O-CA 3.09Å; A433-S436 WeakPolarHBondContact O-CB 3.44Å; A433-S436 PolarHBondContact O-N 3.4Å; A433-M437 PolarHBondContact O-N 3.24Å; A433-E507 VanDerWaalsContact C-OE1 3.23Å; A433-E507 VanDerWaalsContact CA-OE1 3.29Å; A433-E507 WeakPolarHBondContact CA-OE1 3.33Å; A433-E507 VanDerWaalsContact CB-OE1 3.29Å; A433-E507 WeakPolarHBondContact CB-OE1 3.27Å |
| 434 | V | 83.5 | Confident | 66.9 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -48.1 | -47.4 | 170.4 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | S436 M437 L438 I499 K503 E507 L509 | V434-S436 PolarHBondContact O-N 3.04Å; V434-M437 HydrophobicContact CB-CE 4.48Å; V434-M437 HydrophobicContact CG2-CE 4.09Å; V434-M437 PolarHBondContact O-N 3.2Å; V434-M437 VanDerWaalsContact O-N 3.14Å; V434-L438 HydrophobicContact CG1-CD1 3.68Å; V434-L438 HydrophobicContact CG1-CG 4.15Å; V434-L438 WeakPolarHBondContact O-CB 3.21Å; V434-L438 WeakPolarHBondContact O-CG 3.21Å; V434-L438 PolarHBondContact O-N 3.39Å; V434-I499 HydrophobicContact CB-CG2 4.41Å; V434-I499 HydrophobicContact CG1-CG2 3.61Å; V434-I499 HydrophobicContact CG2-CG2 4.46Å; V434-I499 WeakPolarHBondContact CG2-O 3.39Å; V434-K503 HydrophobicContact CG2-CB 4.14Å; V434-E507 VanDerWaalsContact CA-OE1 3.32Å; V434-E507 WeakPolarHBondContact CA-OE1 3.43Å; V434-E507 WeakPolarHBondContact CB-OE1 3.17Å; V434-E507 WeakPolarHBondContact CG2-OE2 3.39Å; V434-E507 PolarHBondContact N-OE1 3.08Å; V434-L509 HydrophobicContact CB-CD2 3.56Å; V434-L509 HydrophobicContact CG1-CD1 4.29Å; V434-L509 HydrophobicContact CG1-CD2 3.48Å; V434-L509 VanDerWaalsContact CG1-CD2 3.48Å; V434-L509 HydrophobicContact CG2-CD2 4.38Å |
| 435 | N | 79.9 | Confident | 68.3 | Low | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -30.2 | 176.5 | -80.8 | -29 | 0 | 0 | 0 | 112.5 | A433 R439 E507 E508 L510 H513 | A433-N435 VanDerWaalsContact C-N 3.31Å; A433-N435 PolarHBondContact O-N 3.41Å; N435-R439 WeakPolarHBondContact O-CB 3.3Å; N435-R439 WeakPolarHBondContact O-CD 3.01Å; N435-R439 VanDerWaalsContact O-CG 3.23Å; N435-R439 WeakPolarHBondContact O-CG 3.46Å; N435-R439 PolarHBondContact O-N 3.18Å; N435-E507 PolarHBondContact N-OE1 2.85Å; N435-E508 PolarHBondContact ND2-O 3.15Å; N435-L510 PolarHBondContact OD1-N 2.85Å; N435-H513 PolarHBondContact OD1-ND1 2.73Å |
| 436 | S | 74.5 | Confident | 69.9 | Low | 24 Ų | 24 | 46.4 Ų | 46.4 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69 | -47.6 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | M1 A433 V434 L438 R439 L440 | M1-S436 WeakPolarHBondContact CE-O 3.33Å; M1-S436 WeakPolarHBondContact CG-OG 3.36Å; A433-S436 VanDerWaalsContact O-CA 3.32Å; A433-S436 WeakPolarHBondContact O-CA 3.09Å; A433-S436 WeakPolarHBondContact O-CB 3.44Å; A433-S436 PolarHBondContact O-N 3.4Å; V434-S436 PolarHBondContact O-N 3.04Å; S436-L438 PolarHBondContact O-N 2.88Å; S436-R439 PolarHBondContact O-N 2.98Å; S436-L440 PolarHBondContact O-N 3.39Å; S436-L440 VanDerWaalsContact O-N 3.17Å |
| 437 | M | 75.3 | Confident | 71.3 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 174.4 | -65.8 | -172.4 | -73.5 | 0 | 0 | 112.1 | M316 P432 A433 V434 L440 F441 I499 | M316-M437 HydrophobicContact CG-CE 4.07Å; M316-M437 HydrophobicContact CG-SD 3.94Å; M316-M437 HydrophobicContact SD-CE 4.25Å; P432-M437 HydrophobicContact CB-CG 4.15Å; A433-M437 PolarHBondContact O-N 3.24Å; V434-M437 HydrophobicContact CB-CE 4.48Å; V434-M437 HydrophobicContact CG2-CE 4.09Å; V434-M437 PolarHBondContact O-N 3.2Å; V434-M437 VanDerWaalsContact O-N 3.14Å; M437-L440 PolarHBondContact O-N 3.4Å; M437-F441 PolarHBondContact O-N 2.88Å; M437-I499 HydrophobicContact CE-CG2 4.36Å |
| 438 | L | 79.4 | Confident | 72.4 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.4 | -27.4 | 178.5 | -67.9 | 175 | 0 | 0 | 0 | 113.1 | V434 S436 L440 G442 F446 L496 I499 F500 H513 | V434-L438 HydrophobicContact CG1-CD1 3.68Å; V434-L438 HydrophobicContact CG1-CG 4.15Å; V434-L438 WeakPolarHBondContact O-CB 3.21Å; V434-L438 WeakPolarHBondContact O-CG 3.21Å; V434-L438 PolarHBondContact O-N 3.39Å; S436-L438 PolarHBondContact O-N 2.88Å; L438-L440 VanDerWaalsContact C-N 3.3Å; L438-G442 WeakPolarHBondContact O-CA 3.48Å; L438-G442 PolarHBondContact O-N 2.82Å; L438-F446 HydrophobicContact CD2-CE2 4.37Å; L438-F446 HydrophobicContact CD2-CZ 4.46Å; L438-L496 HydrophobicContact CD2-CD2 4.05Å; L438-I499 HydrophobicContact CD1-CG2 4.48Å; L438-I499 HydrophobicContact CD2-CD1 4.46Å; L438-I499 HydrophobicContact CD2-CG2 3.92Å; L438-I499 HydrophobicContact CG-CG2 4Å; L438-F500 HydrophobicContact CD1-CE1 4.06Å; L438-F500 HydrophobicContact CD1-CE2 3.91Å; L438-F500 HydrophobicContact CD1-CZ 3.48Å; L438-F500 VanDerWaalsContact CD1-CZ 3.48Å; L438-F500 HydrophobicContact CD2-CE2 4.04Å; L438-F500 HydrophobicContact CD2-CZ 4.41Å; L438-H513 HydrophobicContact CD1-CB 3.83Å |
| 439 | R | 70.5 | Confident | 73.8 | Confident | 113 Ų | 113 | 38.3 Ų | 38.3 | 43% | 0.426 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.8 | -31.6 | 169.4 | -79.4 | 167.5 | 176 | 155.7 | -5.6 | 112.1 | M1 N435 S436 | M1-R439 HydrophobicContact CB-CB 4.21Å; M1-R439 VanDerWaalsContact CB-CD 3.49Å; N435-R439 WeakPolarHBondContact O-CB 3.3Å; N435-R439 WeakPolarHBondContact O-CD 3.01Å; N435-R439 VanDerWaalsContact O-CG 3.23Å; N435-R439 WeakPolarHBondContact O-CG 3.46Å; N435-R439 PolarHBondContact O-N 3.18Å; S436-R439 PolarHBondContact O-N 2.98Å |
| 440 | L | 62.1 | Low | 74.6 | Confident | 67 Ų | 67 | 36.5 Ų | 36.5 | 35% | 0.351 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -79.7 | -47.6 | 179 | -175.1 | 61 | 0 | 0 | 0 | 112.1 | S436 M437 L438 | S436-L440 PolarHBondContact O-N 3.39Å; S436-L440 VanDerWaalsContact O-N 3.17Å; M437-L440 PolarHBondContact O-N 3.4Å; L438-L440 VanDerWaalsContact C-N 3.3Å |
| 441 | F | 74.2 | Confident | 74.6 | Confident | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -113.7 | -15.4 | -172.2 | -59 | -64.8 | 0 | 0 | 0 | 114.2 | V308 I311 V312 L315 M437 S443 W444 L445 | V308-F441 HydrophobicContact CG1-CD1 4.24Å; I311-F441 HydrophobicContact CG2-CE2 4.38Å; I311-F441 HydrophobicContact CG2-CZ 3.8Å; V312-F441 HydrophobicContact CG2-CD2 3.88Å; V312-F441 HydrophobicContact CG2-CE2 3.99Å; L315-F441 HydrophobicContact CD1-CE2 4Å; L315-F441 HydrophobicContact CD1-CZ 4.5Å; M437-F441 PolarHBondContact O-N 2.88Å; F441-S443 PolarHBondContact O-N 2.91Å; F441-W444 AromaticContact CD1-CE3 3.94Å; F441-W444 HydrophobicContact CD1-CE3 3.94Å; F441-W444 AromaticContact CD1-CZ3 3.9Å; F441-W444 HydrophobicContact CD1-CZ3 3.9Å; F441-W444 HydrophobicContact CE1-CZ3 4.22Å; F441-W444 WeakPolarHBondContact O-CB 3.16Å; F441-W444 PolarHBondContact O-N 3.37Å; F441-L445 HydrophobicContact CB-CD1 3.8Å; F441-L445 HydrophobicContact CB-CG 4.19Å; F441-L445 WeakPolarHBondContact O-CG 3.16Å; F441-L445 PolarHBondContact O-N 2.76Å |
| 442 | G | 71.2 | Confident | 73.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -39.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L438 W444 L445 F446 | L438-G442 WeakPolarHBondContact O-CA 3.48Å; L438-G442 PolarHBondContact O-N 2.82Å; G442-W444 PolarHBondContact O-N 3.4Å; G442-L445 PolarHBondContact O-N 2.9Å; G442-F446 WeakPolarHBondContact O-CB 3.46Å; G442-F446 WeakPolarHBondContact O-CD2 3.28Å; G442-F446 WeakPolarHBondContact O-CG 3.24Å; G442-F446 PolarHBondContact O-N 2.65Å |
| 443 | S | 70.6 | Confident | 72.4 | Confident | 58 Ų | 58 | 39 Ų | 39 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.2 | -41.2 | 173.6 | 53 | 0 | 0 | 0 | 0 | 111.5 | F441 E447 | F441-S443 PolarHBondContact O-N 2.91Å; S443-E447 VanDerWaalsContact O-CB 3.29Å; S443-E447 WeakPolarHBondContact O-CB 3.44Å; S443-E447 WeakPolarHBondContact O-CG 3.34Å; S443-E447 PolarHBondContact O-N 3.31Å; S443-E447 VanDerWaalsContact O-N 3.17Å |
| 444 | W | 69.6 | Low | 70.2 | Confident | 75 Ų | 75 | 42.5 Ų | 42.5 | 28% | 0.284 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.8 | -46.3 | 179.5 | -55.8 | -22.7 | 0 | 0 | 0 | 112.1 | F441 G442 E447 A448 | F441-W444 AromaticContact CD1-CE3 3.94Å; F441-W444 HydrophobicContact CD1-CE3 3.94Å; F441-W444 AromaticContact CD1-CZ3 3.9Å; F441-W444 HydrophobicContact CD1-CZ3 3.9Å; F441-W444 HydrophobicContact CE1-CZ3 4.22Å; F441-W444 WeakPolarHBondContact O-CB 3.16Å; F441-W444 PolarHBondContact O-N 3.37Å; G442-W444 PolarHBondContact O-N 3.4Å; W444-E447 PolarHBondContact O-N 3.27Å; W444-A448 WeakPolarHBondContact O-CB 3.47Å; W444-A448 PolarHBondContact O-N 3.2Å |
| 445 | L | 82.9 | Confident | 67.6 | Low | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | -178 | -73.8 | 173 | 0 | 0 | 0 | 111.5 | V308 F441 G442 A448 C449 A492 T495 L496 I499 | V308-L445 HydrophobicContact CG1-CD2 4Å; F441-L445 HydrophobicContact CB-CD1 3.8Å; F441-L445 HydrophobicContact CB-CG 4.19Å; F441-L445 WeakPolarHBondContact O-CG 3.16Å; F441-L445 PolarHBondContact O-N 2.76Å; G442-L445 PolarHBondContact O-N 2.9Å; L445-A448 PolarHBondContact O-N 3.37Å; L445-C449 PolarHBondContact O-N 3.45Å; L445-C449 PolarHBondContact O-SG 3.1Å; L445-A492 HydrophobicContact CD2-CB 4.46Å; L445-T495 HydrophobicContact CD1-CG2 4.01Å; L445-T495 HydrophobicContact CD2-CG2 3.98Å; L445-L496 HydrophobicContact CB-CD1 4.26Å; L445-L496 HydrophobicContact CB-CD2 3.59Å; L445-L496 HydrophobicContact CB-CG 3.82Å; L445-L496 HydrophobicContact CD1-CD2 3.83Å; L445-L496 HydrophobicContact CD1-CG 4.33Å; L445-L496 HydrophobicContact CG-CD2 4.31Å; L445-I499 HydrophobicContact CD1-CD1 3.57Å |
| 446 | F | 85.7 | Confident | 65.3 | Low | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.5 | -70 | -57.4 | 0 | 0 | 0 | 111.8 | L438 G442 C449 A450 L496 F500 R516 F517 V520 | L438-F446 HydrophobicContact CD2-CE2 4.37Å; L438-F446 HydrophobicContact CD2-CZ 4.46Å; G442-F446 WeakPolarHBondContact O-CB 3.46Å; G442-F446 WeakPolarHBondContact O-CD2 3.28Å; G442-F446 WeakPolarHBondContact O-CG 3.24Å; G442-F446 PolarHBondContact O-N 2.65Å; F446-C449 PolarHBondContact O-N 3.08Å; F446-A450 WeakPolarHBondContact O-CB 3.37Å; F446-A450 PolarHBondContact O-N 3.01Å; F446-L496 HydrophobicContact CD1-CD1 3.89Å; F446-L496 HydrophobicContact CD1-CD2 4.47Å; F446-L496 HydrophobicContact CE1-CD1 4.02Å; F446-L496 HydrophobicContact CE1-CD2 4.16Å; F446-L496 HydrophobicContact CZ-CD2 4.33Å; F446-F500 HydrophobicContact CE1-CE2 4.41Å; F446-F500 AromaticContact CZ-CE2 3.99Å; F446-F500 HydrophobicContact CZ-CE2 3.99Å; F446-F500 HydrophobicContact CZ-CZ 4.08Å; F446-R516 HydrophobicContact CD1-CB 3.95Å; F446-R516 HydrophobicContact CD2-CB 4.43Å; F446-R516 HydrophobicContact CE1-CB 3.72Å; F446-R516 HydrophobicContact CE2-CB 4.25Å; F446-R516 HydrophobicContact CG-CB 4.32Å; F446-R516 HydrophobicContact CZ-CB 3.89Å; F446-F517 HydrophobicContact CE1-CB 4.1Å; F446-F517 HydrophobicContact CZ-CB 4.48Å; F446-V520 HydrophobicContact CD1-CG2 4.01Å |
| 447 | E | 78 | Confident | 63 | Low | 72 Ų | 72 | 57.6 Ų | 57.6 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.2 | -75.2 | 177.7 | -176.2 | 0 | 0 | 111.6 | S443 W444 C449 A450 T451 | S443-E447 VanDerWaalsContact O-CB 3.29Å; S443-E447 WeakPolarHBondContact O-CB 3.44Å; S443-E447 WeakPolarHBondContact O-CG 3.34Å; S443-E447 PolarHBondContact O-N 3.31Å; S443-E447 VanDerWaalsContact O-N 3.17Å; W444-E447 PolarHBondContact O-N 3.27Å; E447-C449 VanDerWaalsContact C-N 3.3Å; E447-C449 PolarHBondContact O-N 3Å; E447-A450 PolarHBondContact O-N 3.49Å; E447-T451 WeakPolarHBondContact O-CG2 3.45Å; E447-T451 PolarHBondContact O-N 3.26Å; E447-T451 VanDerWaalsContact O-N 3.17Å |
| 448 | A | 80.6 | Confident | 60.6 | Low | 3 Ų | 3 | 67.1 Ų | 67.1 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -33.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F301 M305 W444 L445 T451 R489 A492 | F301-A448 HydrophobicContact CE2-CB 3.98Å; F301-A448 HydrophobicContact CZ-CB 3.94Å; M305-A448 HydrophobicContact SD-CB 3.76Å; W444-A448 WeakPolarHBondContact O-CB 3.47Å; W444-A448 PolarHBondContact O-N 3.2Å; L445-A448 PolarHBondContact O-N 3.37Å; A448-T451 PolarHBondContact O-OG1 3.13Å; A448-R489 WeakPolarHBondContact O-CG 3.05Å; A448-A492 HydrophobicContact CB-CB 3.88Å |
| 449 | C | 83.9 | Confident | 58 | Low | 4 Ų | 4 | 75.2 Ų | 75.2 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.1 | -35.6 | 172.7 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | L445 F446 E447 R489 I493 L496 V520 | L445-C449 PolarHBondContact O-N 3.45Å; L445-C449 PolarHBondContact O-SG 3.1Å; F446-C449 PolarHBondContact O-N 3.08Å; E447-C449 VanDerWaalsContact C-N 3.3Å; E447-C449 PolarHBondContact O-N 3Å; C449-R489 PolarHBondContact O-NE 3.46Å; C449-R489 VanDerWaalsContact O-NE 3.16Å; C449-R489 PolarHBondContact O-NH2 3.05Å; C449-I493 HydrophobicContact CB-CG1 4.26Å; C449-I493 WeakPolarHBondContact SG-CG1 3.34Å; C449-L496 VanDerWaalsContact SG-CD1 3.5Å; C449-V520 HydrophobicContact CB-CG1 3.73Å; C449-V520 HydrophobicContact CB-CG2 4.07Å |
| 450 | A | 72.7 | Confident | 55.7 | Low | 45 Ų | 45 | 77.1 Ų | 77.1 | 37% | 0.372 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -85.7 | -6.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F446 E447 G452 E453 | F446-A450 WeakPolarHBondContact O-CB 3.37Å; F446-A450 PolarHBondContact O-N 3.01Å; E447-A450 PolarHBondContact O-N 3.49Å; A450-G452 PolarHBondContact O-N 2.85Å; A450-E453 PolarHBondContact O-N 3.1Å |
| 451 | T | 58.7 | Low | 53.9 | Low | 50 Ų | 50 | 81.6 Ų | 81.6 | 31% | 0.307 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 8.4 | -174.6 | 60.4 | 0 | 0 | 0 | 0 | 116 | L259 E447 A448 | L259-T451 HydrophobicContact CD1-CG2 4.43Å; E447-T451 WeakPolarHBondContact O-CG2 3.45Å; E447-T451 PolarHBondContact O-N 3.26Å; E447-T451 VanDerWaalsContact O-N 3.17Å; A448-T451 PolarHBondContact O-OG1 3.13Å |
| 452 | G | 54.3 | Low | 51.6 | Low | 36 Ų | 36 | 89.9 Ų | 89.9 | 37% | 0.371 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -21.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A450 | A450-G452 PolarHBondContact O-N 2.85Š|
| 453 | E | 37.6 | Very low | 49.2 | Very low | 174 Ų | 174 | 98.8 Ų | 98.8 | 81% | 0.813 | 51% | 0.507 | S | S | * | . | trans | -117.8 | 58.9 | -174.5 | -66.3 | -169.4 | 167.7 | 0 | 0 | 113.6 | A450 S455 | A450-E453 PolarHBondContact O-N 3.1Å; E453-S455 PolarHBondContact O-N 3.1Å | ||
| 454 | M | 29.4 | Very low | 46.9 | Very low | 111 Ų | 111 | 101 Ų | 101 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | trans | -70.9 | 73 | 157.8 | -95.9 | -148.4 | -166.2 | 0 | 0 | 109.9 | L259 T456 | L259-M454 WeakPolarHBondContact O-CE 3.47Å; M454-T456 PolarHBondContact O-N 3.28Å | ||
| 455 | S | 29.2 | Very low | 44.9 | Very low | 89 Ų | 89 | 103.4 Ų | 103.4 | 62% | 0.622 | 55% | 0.546 | S | S | * | . | trans | 5.7 | 101.2 | 163.8 | 64.7 | 0 | 0 | 0 | 0 | 116.9 | E453 N457 | E453-S455 PolarHBondContact O-N 3.1Å; S455-N457 PolarHBondContact O-N 3.27Å | ||
| 456 | T | 30.2 | Very low | 42.2 | Very low | 141 Ų | 141 | 110.2 Ų | 110.2 | 87% | 0.865 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -73.4 | 1.7 | 160.7 | 45.4 | 0 | 0 | 0 | 0 | 113.4 | M454 | M454-T456 PolarHBondContact O-N 3.28Š|
| 457 | N | 27.6 | Very low | 39.5 | Very low | 132 Ų | 132 | 116 Ų | 116 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | trans | -110 | 18.1 | -164.2 | -111.5 | -7.2 | 0 | 0 | 0 | 117.3 | S455 Q459 | S455-N457 PolarHBondContact O-N 3.27Å; N457-Q459 VanDerWaalsContact C-N 3.31Å; N457-Q459 PolarHBondContact O-N 3.39Å | ||
| 458 | R | 24.5 | Very low | 37.1 | Very low | 205 Ų | 205 | 122.6 Ų | 122.6 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | trans | -86.7 | 84.9 | 157.1 | -77.6 | -170.5 | -179.7 | -175.3 | 1 | 108.6 | M460 | R458-M460 HydrophobicContact CB-CG 4.48Å; R458-M460 PolarHBondContact O-N 3.11Å | ||
| 459 | Q | 23.8 | Very low | 34.8 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | trans | -55.5 | 82.5 | 159.8 | -73.5 | 177.8 | -20.4 | 0 | 0 | 108.6 | N457 N461 | N457-Q459 VanDerWaalsContact C-N 3.31Å; N457-Q459 PolarHBondContact O-N 3.39Å; Q459-N461 PolarHBondContact O-N 3.42Å | ||
| 460 | M | 24 | Very low | 32.2 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -78.2 | 106.3 | 168.2 | -71.4 | -71.5 | -97.9 | 0 | 0 | 106.2 | R458 F462 | R458-M460 HydrophobicContact CB-CG 4.48Å; R458-M460 PolarHBondContact O-N 3.11Å; M460-F462 VanDerWaalsContact C-N 3.31Å; M460-F462 PolarHBondContact O-N 3.06Å | ||
| 461 | N | 23.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -54.2 | 95.1 | 167.2 | -82.8 | -25.3 | 0 | 0 | 0 | 109.2 | Q459 | Q459-N461 PolarHBondContact O-N 3.42Š| ||
| 462 | F | 24.6 | Very low | 28.7 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -121.9 | 96.2 | 163.6 | -115 | -88.2 | 0 | 0 | 0 | 108.2 | M460 | M460-F462 VanDerWaalsContact C-N 3.31Å; M460-F462 PolarHBondContact O-N 3.06Å | ||
| 463 | Q | 22.2 | Very low | 27.6 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -62 | 143.4 | 159.4 | -76.7 | 177.1 | -12.9 | 0 | 0 | 108.7 | ||||
| 464 | S | 22.2 | Very low | 27.3 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 84.1 | 90.4 | 164.7 | -143.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 465 | T | 26.7 | Very low | 27.4 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | 170.5 | 132.1 | 93.5 | 34 | 0 | 0 | 0 | 0 | 109.7 | V467 | T465-V467 PolarHBondContact O-N 3.48Š| |||
| 466 | T | 27.1 | Very low | 27.5 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -60.1 | 108.3 | -179.7 | 43 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 467 | V | 27.7 | Very low | 27.6 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -132.6 | 125.9 | 155.6 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | T465 G469 | T465-V467 PolarHBondContact O-N 3.48Å; V467-G469 PolarHBondContact O-N 3.34Å | ||
| 468 | K | 29 | Very low | 28 | Very low | 211 Ų | 211 | 145.7 Ų | 145.7 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | trans | -50 | 122.8 | -168.3 | -67.7 | 173.5 | 174.9 | 177.9 | 0 | 112.3 | ||||
| 469 | G | 31.5 | Very low | 28.5 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | -72.7 | 125.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V467 | V467-G469 PolarHBondContact O-N 3.34Š| ||
| 470 | Q | 29.3 | Very low | 29.6 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -172.3 | -9.8 | 144 | -107.1 | 171.8 | -6.7 | 0 | 0 | 114.5 | ||
| 471 | E | 28.6 | Very low | 31.1 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -97.4 | -19.3 | -177.3 | -79.6 | -176.5 | 153.6 | 0 | 0 | 116.3 | ||
| 472 | K | 29.7 | Very low | 33.3 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 86% | 0.857 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -80.3 | -21.1 | -176.2 | -83.1 | -175.4 | 175.6 | 179.4 | 0 | 115.3 | ||
| 473 | E | 30.3 | Very low | 35.9 | Very low | 178 Ų | 178 | 125.8 Ų | 125.8 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -79.2 | -21.7 | 176.7 | -87.6 | 178.2 | 151.1 | 0 | 0 | 113.3 | ||
| 474 | L | 31.6 | Very low | 38.5 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.6 | -27.5 | -172.2 | -156.1 | 73.3 | 0 | 0 | 0 | 113.7 | T478 | L474-T478 PolarHBondContact O-OG1 3.1Å |
| 475 | I | 32 | Very low | 41.1 | Very low | 128 Ų | 128 | 113.5 Ų | 113.5 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -88.8 | -29.6 | -172.1 | -57.3 | 175.6 | 0 | 0 | 0 | 112.4 | T478 | I475-T478 PolarHBondContact O-OG1 3.14Å |
| 476 | V | 32.1 | Very low | 44 | Very low | 88 Ų | 88 | 111.2 Ų | 111.2 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -83.5 | -39.4 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 111 | T478 L479 | V476-T478 VanDerWaalsContact C-N 3.28Å; V476-T478 PolarHBondContact O-N 3.18Å; V476-L479 WeakPolarHBondContact O-CB 3.42Å; V476-L479 PolarHBondContact O-N 3.14Å |
| 477 | G | 31.6 | Very low | 46.8 | Very low | 33 Ų | 33 | 104.3 Ų | 104.3 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.3 | -17.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 478 | T | 36 | Very low | 49.4 | Very low | 93 Ų | 93 | 97.9 Ų | 97.9 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -23.8 | 174 | 36 | 0 | 0 | 0 | 0 | 112.7 | L474 I475 V476 | L474-T478 PolarHBondContact O-OG1 3.1Å; I475-T478 PolarHBondContact O-OG1 3.14Å; V476-T478 VanDerWaalsContact C-N 3.28Å; V476-T478 PolarHBondContact O-N 3.18Å |
| 479 | L | 35.9 | Very low | 52.3 | Low | 80 Ų | 80 | 88.9 Ų | 88.9 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -41.2 | -178 | -140.9 | 73.7 | 0 | 0 | 0 | 112.6 | W297 V476 R481 S482 | W297-L479 HydrophobicContact CD2-CD2 4.26Å; W297-L479 VanDerWaalsContact CE2-CD2 3.45Å; W297-L479 HydrophobicContact CZ2-CB 4.41Å; W297-L479 HydrophobicContact CZ2-CD1 4.41Å; W297-L479 HydrophobicContact CZ2-CD2 3.67Å; W297-L479 HydrophobicContact CZ2-CG 3.48Å; W297-L479 VanDerWaalsContact CZ2-CG 3.48Å; W297-L479 VanDerWaalsContact NE1-CD2 3.35Å; V476-L479 WeakPolarHBondContact O-CB 3.42Å; V476-L479 PolarHBondContact O-N 3.14Å; L479-R481 PolarHBondContact O-N 2.61Å; L479-S482 PolarHBondContact O-N 3.09Å |
| 480 | E | 45.7 | Very low | 55.1 | Low | 114 Ų | 114 | 85.5 Ų | 85.5 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.2 | 179.6 | -72.7 | 174.7 | 172.9 | 0 | 0 | 113.7 | ||
| 481 | R | 54.8 | Low | 58 | Low | 199 Ų | 199 | 76.8 Ų | 76.8 | 75% | 0.751 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -1.6 | -176.2 | -70 | -177.8 | 178.7 | 176 | 1.3 | 115.3 | L479 I483 R486 | L479-R481 PolarHBondContact O-N 2.61Å; R481-I483 PolarHBondContact O-N 3.11Å; R481-R486 PolarHBondContact O-NH2 3.06Å |
| 482 | S | 70.2 | Confident | 60.9 | Low | 21 Ų | 21 | 68.7 Ų | 68.7 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | trans | -56.7 | 134.8 | 178 | 140.5 | 0 | 0 | 0 | 0 | 110.5 | S298 L479 E484 A485 R486 | S298-S482 WeakPolarHBondContact CB-OG 3.4Å; S298-S482 WeakPolarHBondContact OG-CB 3.44Å; S298-S482 PolarHBondContact OG-OG 3.06Å; L479-S482 PolarHBondContact O-N 3.09Å; S482-E484 PolarHBondContact O-N 3.31Å; S482-E484 PolarHBondContact OG-N 3.21Å; S482-E484 PolarHBondContact OG-OE2 3.05Å; S482-A485 PolarHBondContact O-N 2.81Å; S482-A485 PolarHBondContact OG-N 3.43Å; S482-A485 VanDerWaalsContact OG-N 3.14Å; S482-R486 PolarHBondContact O-N 2.86Å; S482-R486 PolarHBondContact O-NE 3.32Å | ||
| 483 | I | 80.2 | Confident | 63.9 | Low | 49 Ų | 49 | 59.4 Ų | 59.4 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 177.2 | -68 | 166.9 | 0 | 0 | 0 | 109.6 | Q411 R481 R486 A487 M531 | Q411-I483 HydrophobicContact CG-CG2 3.87Å; R481-I483 PolarHBondContact O-N 3.11Å; I483-R486 VanDerWaalsContact CG1-NH2 3.31Å; I483-R486 PolarHBondContact O-N 3.1Å; I483-A487 VanDerWaalsContact O-CB 3.32Å; I483-A487 WeakPolarHBondContact O-CB 3.27Å; I483-A487 PolarHBondContact O-N 3.38Å; I483-M531 HydrophobicContact CG2-CE 4.42Å |
| 484 | E | 77.1 | Confident | 66.9 | Low | 26 Ų | 26 | 51 Ų | 51 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 179.8 | -53.4 | 86.3 | 168.9 | 0 | 0 | 112.5 | Y299 T406 V410 S482 A487 A488 | Y299-E484 HydrophobicContact CD2-CG 4.39Å; T406-E484 PolarHBondContact OG1-OE1 2.99Å; V410-E484 HydrophobicContact CB-CG 4.5Å; V410-E484 HydrophobicContact CG2-CB 4.42Å; V410-E484 HydrophobicContact CG2-CG 3.84Å; S482-E484 PolarHBondContact O-N 3.31Å; S482-E484 PolarHBondContact OG-N 3.21Å; S482-E484 PolarHBondContact OG-OE2 3.05Å; E484-A487 PolarHBondContact O-N 3.06Å; E484-A488 WeakPolarHBondContact O-CB 3.34Å; E484-A488 PolarHBondContact O-N 3.11Å |
| 485 | A | 77 | Confident | 69.7 | Low | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W297 S482 A488 R489 | W297-A485 HydrophobicContact CH2-CB 3.9Å; W297-A485 HydrophobicContact CZ2-CB 4.14Å; S482-A485 PolarHBondContact O-N 2.81Å; S482-A485 PolarHBondContact OG-N 3.43Å; S482-A485 VanDerWaalsContact OG-N 3.14Å; A485-A488 WeakPolarHBondContact O-CB 3.45Å; A485-A488 PolarHBondContact O-N 3.08Å; A485-R489 WeakPolarHBondContact O-CG 3.33Å; A485-R489 PolarHBondContact O-N 3.15Å; A485-R489 VanDerWaalsContact O-N 3.13Å |
| 486 | R | 86.1 | Confident | 72.6 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 174.7 | -70.6 | 179.9 | -76.1 | 165.3 | -3.7 | 112.3 | R481 S482 I483 A488 R489 A490 D529 M531 | R481-R486 PolarHBondContact O-NH2 3.06Å; S482-R486 PolarHBondContact O-N 2.86Å; S482-R486 PolarHBondContact O-NE 3.32Å; I483-R486 VanDerWaalsContact CG1-NH2 3.31Å; I483-R486 PolarHBondContact O-N 3.1Å; R486-A488 VanDerWaalsContact C-N 3.3Å; R486-A488 PolarHBondContact O-N 3.05Å; R486-R489 PolarHBondContact O-N 3.11Å; R486-A490 WeakPolarHBondContact O-CB 3.42Å; R486-A490 PolarHBondContact O-N 3.2Å; R486-D529 WeakPolarHBondContact CD-OD2 3.48Å; R486-D529 IonicContact NH1-OD2 3.58Å; R486-M531 HydrophobicContact CB-SD 3.85Å |
| 487 | A | 86.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F302 V410 I483 E484 A490 V491 M531 | F302-A487 HydrophobicContact CD2-CB 3.41Å; F302-A487 VanDerWaalsContact CD2-CB 3.41Å; F302-A487 HydrophobicContact CE2-CB 3.62Å; F302-A487 HydrophobicContact CG-CB 4.31Å; V410-A487 HydrophobicContact CG1-CB 3.16Å; I483-A487 VanDerWaalsContact O-CB 3.32Å; I483-A487 WeakPolarHBondContact O-CB 3.27Å; I483-A487 PolarHBondContact O-N 3.38Å; E484-A487 PolarHBondContact O-N 3.06Å; A487-A490 WeakPolarHBondContact O-CB 3.44Å; A487-A490 PolarHBondContact O-N 3.37Å; A487-V491 WeakPolarHBondContact O-CG2 3.28Å; A487-V491 PolarHBondContact O-N 3.36Å; A487-M531 HydrophobicContact CB-CE 3.39Å; A487-M531 HydrophobicContact CB-SD 4.45Å |
| 488 | A | 83.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F301 F302 M305 E484 A485 R486 A490 V491 A492 | F301-A488 HydrophobicContact CB-CB 4.27Å; F301-A488 HydrophobicContact CD1-CB 3.2Å; F301-A488 HydrophobicContact CD2-CB 4.1Å; F301-A488 HydrophobicContact CE1-CB 3.36Å; F301-A488 HydrophobicContact CE2-CB 4.22Å; F301-A488 HydrophobicContact CG-CB 3.59Å; F301-A488 HydrophobicContact CZ-CB 3.87Å; F302-A488 VanDerWaalsContact CA-CB 3.48Å; F302-A488 HydrophobicContact CB-CB 4.1Å; M305-A488 HydrophobicContact CG-CB 4.14Å; M305-A488 WeakPolarHBondContact CG-O 3.39Å; E484-A488 WeakPolarHBondContact O-CB 3.34Å; E484-A488 PolarHBondContact O-N 3.11Å; A485-A488 WeakPolarHBondContact O-CB 3.45Å; A485-A488 PolarHBondContact O-N 3.08Å; R486-A488 VanDerWaalsContact C-N 3.3Å; R486-A488 PolarHBondContact O-N 3.05Å; A488-A490 VanDerWaalsContact C-N 3.34Å; A488-A490 PolarHBondContact O-N 2.68Å; A488-V491 PolarHBondContact O-N 3.08Å; A488-A492 PolarHBondContact O-N 3.35Å |
| 489 | R | 89 | Confident | 80.8 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 9% | 0.087 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 174.8 | -67 | -178.6 | 66.4 | -146.8 | -5.5 | 112 | F301 A448 C449 A485 R486 V491 A492 I493 E527 I532 | F301-R489 HydrophobicContact CE1-CG 4.17Å; A448-R489 WeakPolarHBondContact O-CG 3.05Å; C449-R489 PolarHBondContact O-NE 3.46Å; C449-R489 VanDerWaalsContact O-NE 3.16Å; C449-R489 PolarHBondContact O-NH2 3.05Å; A485-R489 WeakPolarHBondContact O-CG 3.33Å; A485-R489 PolarHBondContact O-N 3.15Å; A485-R489 VanDerWaalsContact O-N 3.13Å; R486-R489 PolarHBondContact O-N 3.11Å; R489-V491 VanDerWaalsContact C-N 3.34Å; R489-V491 PolarHBondContact O-N 3.24Å; R489-A492 WeakPolarHBondContact O-CB 3.45Å; R489-A492 PolarHBondContact O-N 3.26Å; R489-I493 PolarHBondContact O-N 3.38Å; R489-E527 IonicContact CZ-OE1 3.7Å; R489-E527 IonicContact CZ-OE2 2.77Å; R489-E527 VanDerWaalsContact CZ-OE2 3.28Å; R489-E527 VanDerWaalsContact NH1-CD 3.27Å; R489-E527 IonicContact NH1-OE1 2.81Å; R489-E527 PolarHBondContact NH1-OE1 3.43Å; R489-E527 IonicContact NH1-OE2 3.01Å; R489-E527 PolarHBondContact NH1-OE2 3.05Å; R489-E527 IonicContact NH2-OE1 3.87Å; R489-E527 IonicContact NH2-OE2 2.74Å; R489-E527 PolarHBondContact NH2-OE2 2.94Å; R489-I532 HydrophobicContact CB-CD1 4.05Å |
| 490 | A | 91.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L414 R486 A487 A488 A492 I493 I494 I532 | L414-A490 HydrophobicContact CD1-CB 4.35Å; L414-A490 HydrophobicContact CD2-CB 4Å; R486-A490 WeakPolarHBondContact O-CB 3.42Å; R486-A490 PolarHBondContact O-N 3.2Å; A487-A490 WeakPolarHBondContact O-CB 3.44Å; A487-A490 PolarHBondContact O-N 3.37Å; A488-A490 VanDerWaalsContact C-N 3.34Å; A488-A490 PolarHBondContact O-N 2.68Å; A490-A492 PolarHBondContact O-N 3.03Å; A490-I493 PolarHBondContact O-N 2.98Å; A490-I494 VanDerWaalsContact O-CG1 3.27Å; A490-I494 WeakPolarHBondContact O-CG1 3.5Å; A490-I494 PolarHBondContact O-N 3.25Å; A490-I532 HydrophobicContact CB-CG1 4.5Å |
| 491 | V | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | F302 M305 V306 D309 L414 M417 A487 A488 R489 I493 I494 T495 | F302-V491 HydrophobicContact CD2-CG2 4.36Å; F302-V491 HydrophobicContact CE2-CG2 3.83Å; M305-V491 VanDerWaalsContact C-CG1 3.44Å; M305-V491 HydrophobicContact CB-CB 3.94Å; M305-V491 HydrophobicContact CB-CG1 3.89Å; M305-V491 VanDerWaalsContact O-CG1 3.28Å; M305-V491 WeakPolarHBondContact O-CG1 3.19Å; V306-V491 HydrophobicContact CG2-CG1 4.33Å; V306-V491 HydrophobicContact CG2-CG2 4.09Å; D309-V491 HydrophobicContact CB-CG1 3.85Å; L414-V491 HydrophobicContact CD1-CG2 3.99Å; M417-V491 HydrophobicContact CE-CG1 4.38Å; M417-V491 HydrophobicContact SD-CG2 4.17Å; A487-V491 WeakPolarHBondContact O-CG2 3.28Å; A487-V491 PolarHBondContact O-N 3.36Å; A488-V491 PolarHBondContact O-N 3.08Å; R489-V491 VanDerWaalsContact C-N 3.34Å; R489-V491 PolarHBondContact O-N 3.24Å; V491-I493 VanDerWaalsContact C-N 3.31Å; V491-I493 PolarHBondContact O-N 2.77Å; V491-I494 WeakPolarHBondContact O-CB 3.35Å; V491-I494 PolarHBondContact O-N 3.45Å; V491-T495 WeakPolarHBondContact O-CB 3.23Å; V491-T495 PolarHBondContact O-N 2.93Å; V491-T495 PolarHBondContact O-OG1 2.78Å |
| 492 | A | 90.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M305 L445 A448 A488 R489 A490 T495 L496 | M305-A492 HydrophobicContact CG-CB 4.43Å; M305-A492 HydrophobicContact SD-CB 3.86Å; L445-A492 HydrophobicContact CD2-CB 4.46Å; A448-A492 HydrophobicContact CB-CB 3.88Å; A488-A492 PolarHBondContact O-N 3.35Å; R489-A492 WeakPolarHBondContact O-CB 3.45Å; R489-A492 PolarHBondContact O-N 3.26Å; A490-A492 PolarHBondContact O-N 3.03Å; A492-T495 PolarHBondContact O-N 2.99Å; A492-L496 PolarHBondContact O-N 3.3Å |
| 493 | I | 93.3 | Very high | 87.4 | Confident | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69.1 | -38.9 | 176.8 | -71.1 | 168.3 | 0 | 0 | 0 | 111.9 | C449 R489 A490 V491 T495 L496 S497 V520 T524 I532 L536 | C449-I493 HydrophobicContact CB-CG1 4.26Å; C449-I493 WeakPolarHBondContact SG-CG1 3.34Å; R489-I493 PolarHBondContact O-N 3.38Å; A490-I493 PolarHBondContact O-N 2.98Å; V491-I493 VanDerWaalsContact C-N 3.31Å; V491-I493 PolarHBondContact O-N 2.77Å; I493-T495 VanDerWaalsContact C-N 3.27Å; I493-T495 PolarHBondContact O-N 2.67Å; I493-L496 PolarHBondContact O-N 3.35Å; I493-S497 VanDerWaalsContact O-CB 3.25Å; I493-S497 WeakPolarHBondContact O-CB 3.31Å; I493-S497 PolarHBondContact O-N 2.98Å; I493-S497 PolarHBondContact O-OG 3.5Å; I493-V520 HydrophobicContact CG1-CG1 4.22Å; I493-T524 HydrophobicContact CD1-CG2 3.89Å; I493-T524 VanDerWaalsContact CD1-OG1 3.3Å; I493-T524 WeakPolarHBondContact CD1-OG1 2.91Å; I493-I532 HydrophobicContact CD1-CG2 3.22Å; I493-L536 HydrophobicContact CG2-CB 3.86Å; I493-L536 HydrophobicContact CG2-CD1 3.89Å; I493-L536 HydrophobicContact CG2-CG 4.46Å |
| 494 | I | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -55.1 | -49.4 | 171.2 | -71.1 | 170.9 | 0 | 0 | 0 | 109.3 | L414 M417 L418 A490 V491 S497 K498 Y539 | L414-I494 HydrophobicContact CD1-CD1 3.71Å; M417-I494 HydrophobicContact CE-CD1 4.31Å; M417-I494 HydrophobicContact CE-CG2 4.18Å; L418-I494 HydrophobicContact CD2-CD1 4.46Å; A490-I494 VanDerWaalsContact O-CG1 3.27Å; A490-I494 WeakPolarHBondContact O-CG1 3.5Å; A490-I494 PolarHBondContact O-N 3.25Å; V491-I494 WeakPolarHBondContact O-CB 3.35Å; V491-I494 PolarHBondContact O-N 3.45Å; I494-S497 PolarHBondContact O-N 3.34Å; I494-K498 HydrophobicContact CG2-CD 4.17Å; I494-K498 HydrophobicContact CG2-CG 4.45Å; I494-K498 WeakPolarHBondContact O-CB 3.23Å; I494-K498 WeakPolarHBondContact O-CG 3.36Å; I494-K498 PolarHBondContact O-N 2.98Å; I494-Y539 HydrophobicContact CB-CD2 4.13Å; I494-Y539 HydrophobicContact CB-CE2 4.37Å; I494-Y539 HydrophobicContact CB-CG 4.33Å; I494-Y539 HydrophobicContact CD1-CD2 4.07Å; I494-Y539 HydrophobicContact CD1-CE2 3.81Å; I494-Y539 HydrophobicContact CG1-CD2 3.56Å; I494-Y539 HydrophobicContact CG1-CE2 3.81Å; I494-Y539 HydrophobicContact CG1-CG 4.21Å; I494-Y539 HydrophobicContact CG2-CD1 3.84Å; I494-Y539 HydrophobicContact CG2-CD2 3.74Å; I494-Y539 HydrophobicContact CG2-CE1 3.81Å; I494-Y539 HydrophobicContact CG2-CE2 3.7Å; I494-Y539 HydrophobicContact CG2-CG 3.77Å |
| 495 | T | 90.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | -177.4 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | V308 D309 V312 L445 V491 A492 I493 K498 I499 | V308-T495 HydrophobicContact CG1-CG2 4.33Å; D309-T495 WeakPolarHBondContact CB-OG1 3.46Å; D309-T495 PolarHBondContact OD1-OG1 2.79Å; V312-T495 HydrophobicContact CB-CG2 3.83Å; V312-T495 HydrophobicContact CG1-CG2 3.85Å; V312-T495 HydrophobicContact CG2-CG2 3.75Å; L445-T495 HydrophobicContact CD1-CG2 4.01Å; L445-T495 HydrophobicContact CD2-CG2 3.98Å; V491-T495 WeakPolarHBondContact O-CB 3.23Å; V491-T495 PolarHBondContact O-N 2.93Å; V491-T495 PolarHBondContact O-OG1 2.78Å; A492-T495 PolarHBondContact O-N 2.99Å; I493-T495 VanDerWaalsContact C-N 3.27Å; I493-T495 PolarHBondContact O-N 2.67Å; T495-K498 PolarHBondContact O-N 2.99Å; T495-I499 HydrophobicContact CG2-CD1 4.17Å; T495-I499 VanDerWaalsContact O-CG1 3.28Å; T495-I499 WeakPolarHBondContact O-CG1 3.49Å; T495-I499 PolarHBondContact O-N 3.29Å |
| 496 | L | 93.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.9 | -77.4 | 179.1 | 0 | 0 | 0 | 111.9 | L438 L445 F446 C449 A492 I493 K498 I499 F500 F517 | L438-L496 HydrophobicContact CD2-CD2 4.05Å; L445-L496 HydrophobicContact CB-CD1 4.26Å; L445-L496 HydrophobicContact CB-CD2 3.59Å; L445-L496 HydrophobicContact CB-CG 3.82Å; L445-L496 HydrophobicContact CD1-CD2 3.83Å; L445-L496 HydrophobicContact CD1-CG 4.33Å; L445-L496 HydrophobicContact CG-CD2 4.31Å; F446-L496 HydrophobicContact CD1-CD1 3.89Å; F446-L496 HydrophobicContact CD1-CD2 4.47Å; F446-L496 HydrophobicContact CE1-CD1 4.02Å; F446-L496 HydrophobicContact CE1-CD2 4.16Å; F446-L496 HydrophobicContact CZ-CD2 4.33Å; C449-L496 VanDerWaalsContact SG-CD1 3.5Å; A492-L496 PolarHBondContact O-N 3.3Å; I493-L496 PolarHBondContact O-N 3.35Å; L496-K498 VanDerWaalsContact C-N 3.32Å; L496-K498 PolarHBondContact O-N 3.01Å; L496-I499 PolarHBondContact O-N 2.92Å; L496-I499 VanDerWaalsContact O-N 3.11Å; L496-F500 HydrophobicContact CD2-CE2 4.32Å; L496-F500 WeakPolarHBondContact O-CD2 3.44Å; L496-F500 PolarHBondContact O-N 3.25Å; L496-F517 HydrophobicContact CB-CD2 4.25Å; L496-F517 HydrophobicContact CB-CE2 4.07Å |
| 497 | S | 93.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 179.8 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | I493 I494 F500 C501 Y539 | I493-S497 VanDerWaalsContact O-CB 3.25Å; I493-S497 WeakPolarHBondContact O-CB 3.31Å; I493-S497 PolarHBondContact O-N 2.98Å; I493-S497 PolarHBondContact O-OG 3.5Å; I494-S497 PolarHBondContact O-N 3.34Å; S497-F500 PolarHBondContact O-N 3.09Å; S497-C501 WeakPolarHBondContact O-CB 3.23Å; S497-C501 PolarHBondContact O-N 2.76Å; S497-C501 PolarHBondContact O-SG 2.71Å; S497-Y539 WeakPolarHBondContact CB-O 2.98Å |
| 498 | K | 89.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.017 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 171.6 | -74.4 | 177.3 | 178.4 | 175.4 | 0 | 111.7 | D309 S313 M316 I494 T495 L496 F500 H502 Y539 | D309-K498 WeakPolarHBondContact OD1-CD 3.16Å; D309-K498 WeakPolarHBondContact OD1-CE 3.24Å; D309-K498 IonicContact OD1-NZ 2.81Å; D309-K498 PolarHBondContact OD1-NZ 2.99Å; D309-K498 IonicContact OD2-NZ 3.7Å; D309-K498 PolarHBondContact OD2-NZ 3.41Å; S313-K498 PolarHBondContact OG-NZ 3.42Å; M316-K498 HydrophobicContact CE-CB 3.64Å; M316-K498 HydrophobicContact CE-CD 4.41Å; I494-K498 HydrophobicContact CG2-CD 4.17Å; I494-K498 HydrophobicContact CG2-CG 4.45Å; I494-K498 WeakPolarHBondContact O-CB 3.23Å; I494-K498 WeakPolarHBondContact O-CG 3.36Å; I494-K498 PolarHBondContact O-N 2.98Å; T495-K498 PolarHBondContact O-N 2.99Å; L496-K498 VanDerWaalsContact C-N 3.32Å; L496-K498 PolarHBondContact O-N 3.01Å; K498-F500 PolarHBondContact O-N 3.27Å; K498-H502 WeakPolarHBondContact O-CB 3.42Å; K498-H502 PolarHBondContact O-N 3.29Å; K498-H502 PolarHBondContact O-ND1 3.11Å; K498-Y539 HydrophobicContact CD-CD1 4.3Å; K498-Y539 HydrophobicContact CD-CE1 4.26Å; K498-Y539 HydrophobicContact CG-CD1 3.71Å; K498-Y539 HydrophobicContact CG-CE1 4.16Å |
| 499 | I | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | -179.4 | -72.1 | 166.2 | 0 | 0 | 0 | 111.3 | V312 V434 M437 L438 L445 T495 L496 | V312-I499 HydrophobicContact CG1-CD1 3.93Å; V312-I499 HydrophobicContact CG1-CG1 3.57Å; V312-I499 HydrophobicContact CG2-CD1 4.24Å; V434-I499 HydrophobicContact CB-CG2 4.41Å; V434-I499 HydrophobicContact CG1-CG2 3.61Å; V434-I499 HydrophobicContact CG2-CG2 4.46Å; V434-I499 WeakPolarHBondContact CG2-O 3.39Å; M437-I499 HydrophobicContact CE-CG2 4.36Å; L438-I499 HydrophobicContact CD1-CG2 4.48Å; L438-I499 HydrophobicContact CD2-CD1 4.46Å; L438-I499 HydrophobicContact CD2-CG2 3.92Å; L438-I499 HydrophobicContact CG-CG2 4Å; L445-I499 HydrophobicContact CD1-CD1 3.57Å; T495-I499 HydrophobicContact CG2-CD1 4.17Å; T495-I499 VanDerWaalsContact O-CG1 3.28Å; T495-I499 WeakPolarHBondContact O-CG1 3.49Å; T495-I499 PolarHBondContact O-N 3.29Å; L496-I499 PolarHBondContact O-N 2.92Å; L496-I499 VanDerWaalsContact O-N 3.11Å |
| 500 | F | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -75 | -37.9 | -176.6 | -82.4 | -81.2 | 0 | 0 | 0 | 113.4 | L438 F446 L496 S497 K498 H502 L509 H513 V514 F517 L548 | L438-F500 HydrophobicContact CD1-CE1 4.06Å; L438-F500 HydrophobicContact CD1-CE2 3.91Å; L438-F500 HydrophobicContact CD1-CZ 3.48Å; L438-F500 VanDerWaalsContact CD1-CZ 3.48Å; L438-F500 HydrophobicContact CD2-CE2 4.04Å; L438-F500 HydrophobicContact CD2-CZ 4.41Å; F446-F500 HydrophobicContact CE1-CE2 4.41Å; F446-F500 AromaticContact CZ-CE2 3.99Å; F446-F500 HydrophobicContact CZ-CE2 3.99Å; F446-F500 HydrophobicContact CZ-CZ 4.08Å; L496-F500 HydrophobicContact CD2-CE2 4.32Å; L496-F500 WeakPolarHBondContact O-CD2 3.44Å; L496-F500 PolarHBondContact O-N 3.25Å; S497-F500 PolarHBondContact O-N 3.09Å; K498-F500 PolarHBondContact O-N 3.27Å; F500-H502 PolarHBondContact O-N 3.29Å; F500-L509 HydrophobicContact CD1-CD1 3.83Å; F500-L509 HydrophobicContact CE1-CD1 3.94Å; F500-H513 HydrophobicContact CZ-CB 4.16Å; F500-H513 WeakPolarHBondContact CZ-O 3.35Å; F500-V514 HydrophobicContact CE1-CG2 4.21Å; F500-F517 HydrophobicContact CB-CD1 4Å; F500-F517 HydrophobicContact CB-CE1 3.66Å; F500-F517 HydrophobicContact CB-CZ 4.03Å; F500-F517 AromaticContact CD1-CD1 3.96Å; F500-F517 HydrophobicContact CD1-CD1 3.96Å; F500-F517 HydrophobicContact CD1-CE1 4.47Å; F500-F517 HydrophobicContact CD1-CG 4.36Å; F500-F517 HydrophobicContact CD2-CB 4.02Å; F500-F517 AromaticContact CD2-CD1 3.73Å; F500-F517 HydrophobicContact CD2-CD1 3.73Å; F500-F517 AromaticContact CD2-CD2 3.69Å; F500-F517 HydrophobicContact CD2-CD2 3.69Å; F500-F517 HydrophobicContact CD2-CE1 4.06Å; F500-F517 HydrophobicContact CD2-CE2 4.03Å; F500-F517 AromaticContact CD2-CG 3.53Å; F500-F517 HydrophobicContact CD2-CG 3.53Å; F500-F517 HydrophobicContact CD2-CZ 4.2Å; F500-F517 HydrophobicContact CE1-CB 4.14Å; F500-F517 HydrophobicContact CE1-CD1 4.36Å; F500-F517 HydrophobicContact CE1-CG 4.42Å; F500-F517 HydrophobicContact CE2-CB 3.56Å; F500-F517 HydrophobicContact CE2-CD1 4.17Å; F500-F517 AromaticContact CE2-CD2 3.91Å; F500-F517 HydrophobicContact CE2-CD2 3.91Å; F500-F517 AromaticContact CE2-CG 3.62Å; F500-F517 HydrophobicContact CE2-CG 3.62Å; F500-F517 HydrophobicContact CG-CB 4.49Å; F500-F517 AromaticContact CG-CD1 3.62Å; F500-F517 HydrophobicContact CG-CD1 3.62Å; F500-F517 HydrophobicContact CG-CD2 4.4Å; F500-F517 AromaticContact CG-CE1 3.82Å; F500-F517 HydrophobicContact CG-CE1 3.82Å; F500-F517 AromaticContact CG-CG 3.93Å; F500-F517 HydrophobicContact CG-CG 3.93Å; F500-F517 HydrophobicContact CG-CZ 4.31Å; F500-F517 HydrophobicContact CZ-CB 3.62Å; F500-F517 HydrophobicContact CZ-CD1 4.45Å; F500-F517 HydrophobicContact CZ-CG 4.07Å; F500-L548 HydrophobicContact CB-CD1 4.17Å; F500-L548 HydrophobicContact CD1-CD1 3.95Å; F500-L548 HydrophobicContact CG-CD1 4.48Å |
| 501 | C | 87.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.9 | -2.2 | -179.3 | -64.6 | 0 | 0 | 0 | 0 | 113.9 | S497 N542 V546 | S497-C501 WeakPolarHBondContact O-CB 3.23Å; S497-C501 PolarHBondContact O-N 2.76Å; S497-C501 PolarHBondContact O-SG 2.71Å; C501-N542 HydrophobicContact CB-CB 4.09Å; C501-V546 VanDerWaalsContact O-CG2 3.23Å; C501-V546 WeakPolarHBondContact O-CG2 3.41Å |
| 502 | H | 80.9 | Confident | 86.4 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 29.7 | 176 | -60.5 | 104.2 | 0 | 0 | 0 | 112.6 | M316 F318 V423 F427 K431 K498 F500 | M316-H502 HydrophobicContact SD-CB 4.06Å; F318-H502 AromaticContact CZ-CD2 3.83Å; F318-H502 AromaticContact CZ-CE1 3.61Å; F318-H502 AromaticContact CZ-ND1 3.89Å; F318-H502 AromaticContact CZ-NE2 3.56Å; V423-H502 PolarHBondContact O-NE2 2.96Å; F427-H502 AromaticContact CE1-CD2 3.36Å; F427-H502 WeakPolarHBondContact CE1-CD2 3.45Å; F427-H502 AromaticContact CZ-CD2 3.46Å; F427-H502 VanDerWaalsContact CZ-CD2 3.46Å; F427-H502 WeakPolarHBondContact CZ-CD2 3.44Å; K431-H502 WeakPolarHBondContact CE-O 3.46Å; K431-H502 PolarHBondContact NZ-O 2.71Å; K498-H502 WeakPolarHBondContact O-CB 3.42Å; K498-H502 PolarHBondContact O-N 3.29Å; K498-H502 PolarHBondContact O-ND1 3.11Å; F500-H502 PolarHBondContact O-N 3.29Å |
| 503 | K | 85.7 | Confident | 86.3 | Confident | 34 Ų | 34 | 37.3 Ų | 37.3 | 15% | 0.148 | 19% | 0.192 | C | C | . | . | trans | -64.2 | 140.6 | 168.9 | 178.5 | -155.1 | 138.8 | 140.6 | 0 | 110.3 | V434 E507 L509 V546 L548 | V434-K503 HydrophobicContact CG2-CB 4.14Å; K503-E507 WeakPolarHBondContact CE-O 3.4Å; K503-E507 HydrophobicContact CG-CB 4.05Å; K503-E507 PolarHBondContact NZ-O 2.93Å; K503-L509 HydrophobicContact CD-CD1 3.85Å; K503-L509 HydrophobicContact CD-CD2 4.42Å; K503-L509 HydrophobicContact CD-CG 3.87Å; K503-L509 HydrophobicContact CG-CD1 4.2Å; K503-L509 HydrophobicContact CG-CD2 4.18Å; K503-L509 HydrophobicContact CG-CG 4.17Å; K503-V546 HydrophobicContact CB-CG1 3.71Å; K503-V546 HydrophobicContact CD-CG1 3.95Å; K503-V546 HydrophobicContact CG-CG1 4.4Å; K503-L548 HydrophobicContact CD-CD2 3.73Å | ||
| 504 | L | 81.1 | Confident | 86.2 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.199 | 20% | 0.195 | C | C | . | . | trans | -78.9 | 150.6 | 173.1 | -59.4 | 169 | 0 | 0 | 0 | 111.3 | K431 D506 E507 E1225 | K431-L504 HydrophobicContact CD-CD2 4.5Å; K431-L504 VanDerWaalsContact CE-CD2 3.47Å; K431-L504 VanDerWaalsContact CE-CG 3.46Å; K431-L504 HydrophobicContact CG-CD1 4.33Å; L504-D506 VanDerWaalsContact C-N 3.35Å; L504-D506 PolarHBondContact O-N 3.47Å; L504-E507 HydrophobicContact CB-CB 4.15Å; L504-E507 PolarHBondContact N-OE2 2.8Å; L504-E507 VanDerWaalsContact O-CB 3.24Å; L504-E507 WeakPolarHBondContact O-CB 3.22Å; L504-E507 PolarHBondContact O-N 3.01Å; L504-E1225 WeakPolarHBondContact CA-OE1 3.38Å; L504-E1225 HydrophobicContact CD2-CG 3.61Å | ||
| 505 | S | 77.7 | Confident | 86.1 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -46.3 | -175.8 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | E507 E1225 | S505-E507 VanDerWaalsContact C-N 3.26Å; S505-E507 PolarHBondContact O-N 2.82Å; S505-E1225 VanDerWaalsContact CB-OE2 3.23Å; S505-E1225 WeakPolarHBondContact CB-OE2 3.44Å; S505-E1225 PolarHBondContact N-OE1 3.21Å; S505-E1225 VanDerWaalsContact OG-CD 3.22Å; S505-E1225 PolarHBondContact OG-OE1 2.92Å; S505-E1225 PolarHBondContact OG-OE2 2.97Å |
| 506 | D | 74.4 | Confident | 86.2 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 0.6 | -178.6 | -67.4 | -36.8 | 0 | 0 | 0 | 113.7 | L504 K1066 R1223 | L504-D506 VanDerWaalsContact C-N 3.35Å; L504-D506 PolarHBondContact O-N 3.47Å; D506-K1066 IonicContact OD1-NZ 3.92Å; D506-K1066 PolarHBondContact OD1-NZ 3.09Å; D506-K1066 WeakPolarHBondContact OD2-CE 3.39Å; D506-K1066 IonicContact OD2-NZ 3.97Å; D506-K1066 PolarHBondContact OD2-NZ 2.96Å; D506-R1223 VanDerWaalsContact OD2-CD 3.26Å; D506-R1223 WeakPolarHBondContact OD2-CD 3.23Å; D506-R1223 IonicContact OD2-CZ 2.94Å; D506-R1223 IonicContact OD2-NE 2.7Å; D506-R1223 IonicContact OD2-NH1 3.13Å; D506-R1223 PolarHBondContact OD2-NH1 2.74Å |
| 507 | E | 80.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 46 Ų | 46 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | trans | -87.9 | 114.2 | -170.8 | -167.5 | -173.4 | 168.6 | 0 | 0 | 112.6 | A433 V434 N435 K503 L504 S505 L509 | A433-E507 VanDerWaalsContact C-OE1 3.23Å; A433-E507 VanDerWaalsContact CA-OE1 3.29Å; A433-E507 WeakPolarHBondContact CA-OE1 3.33Å; A433-E507 VanDerWaalsContact CB-OE1 3.29Å; A433-E507 WeakPolarHBondContact CB-OE1 3.27Å; V434-E507 VanDerWaalsContact CA-OE1 3.32Å; V434-E507 WeakPolarHBondContact CA-OE1 3.43Å; V434-E507 WeakPolarHBondContact CB-OE1 3.17Å; V434-E507 WeakPolarHBondContact CG2-OE2 3.39Å; V434-E507 PolarHBondContact N-OE1 3.08Å; N435-E507 PolarHBondContact N-OE1 2.85Å; K503-E507 WeakPolarHBondContact CE-O 3.4Å; K503-E507 HydrophobicContact CG-CB 4.05Å; K503-E507 PolarHBondContact NZ-O 2.93Å; L504-E507 HydrophobicContact CB-CB 4.15Å; L504-E507 PolarHBondContact N-OE2 2.8Å; L504-E507 VanDerWaalsContact O-CB 3.24Å; L504-E507 WeakPolarHBondContact O-CB 3.22Å; L504-E507 PolarHBondContact O-N 3.01Å; S505-E507 VanDerWaalsContact C-N 3.26Å; S505-E507 PolarHBondContact O-N 2.82Å; E507-L509 HydrophobicContact CG-CD2 4.47Å; E507-L509 PolarHBondContact O-N 3Å | ||
| 508 | E | 81.3 | Confident | 86.2 | Confident | 170 Ų | 170 | 47 Ų | 47 | 79% | 0.794 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -78.1 | 124.6 | 174.3 | -65.8 | -168.8 | 165.4 | 0 | 0 | 111.8 | N435 | N435-E508 PolarHBondContact ND2-O 3.15Š|
| 509 | L | 85.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 141 | 173.8 | -59.4 | -172.4 | 0 | 0 | 0 | 110.7 | V434 F500 K503 E507 V511 V514 L548 | V434-L509 HydrophobicContact CB-CD2 3.56Å; V434-L509 HydrophobicContact CG1-CD1 4.29Å; V434-L509 HydrophobicContact CG1-CD2 3.48Å; V434-L509 VanDerWaalsContact CG1-CD2 3.48Å; V434-L509 HydrophobicContact CG2-CD2 4.38Å; F500-L509 HydrophobicContact CD1-CD1 3.83Å; F500-L509 HydrophobicContact CE1-CD1 3.94Å; K503-L509 HydrophobicContact CD-CD1 3.85Å; K503-L509 HydrophobicContact CD-CD2 4.42Å; K503-L509 HydrophobicContact CD-CG 3.87Å; K503-L509 HydrophobicContact CG-CD1 4.2Å; K503-L509 HydrophobicContact CG-CD2 4.18Å; K503-L509 HydrophobicContact CG-CG 4.17Å; E507-L509 HydrophobicContact CG-CD2 4.47Å; E507-L509 PolarHBondContact O-N 3Å; L509-V511 PolarHBondContact O-N 3.18Å; L509-V514 HydrophobicContact CB-CG2 3.7Å; L509-V514 HydrophobicContact CD1-CG2 4.03Å; L509-L548 HydrophobicContact CD1-CD2 3.59Å |
| 510 | L | 84.2 | Confident | 86.5 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 129.4 | 172.6 | -68.9 | 169.3 | 0 | 0 | 0 | 109.8 | N435 E512 H513 V514 | N435-L510 PolarHBondContact OD1-N 2.85Å; L510-E512 PolarHBondContact O-N 2.84Å; L510-E512 VanDerWaalsContact O-N 3.17Å; L510-H513 WeakPolarHBondContact O-CB 3.45Å; L510-H513 PolarHBondContact O-N 3.29Å; L510-V514 PolarHBondContact O-N 2.86Å |
| 511 | V | 86.5 | Confident | 86.6 | Confident | 105 Ų | 105 | 49.6 Ų | 49.6 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -56.3 | -35.1 | -178.7 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | L509 H513 V514 G515 | L509-V511 PolarHBondContact O-N 3.18Å; V511-H513 PolarHBondContact O-N 2.9Å; V511-V514 PolarHBondContact O-N 2.9Å; V511-G515 PolarHBondContact O-N 3.28Å |
| 512 | E | 85.9 | Confident | 86.9 | Confident | 143 Ų | 143 | 55.8 Ų | 55.8 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 176 | -62.5 | 180 | -175 | 0 | 0 | 112.9 | L510 R516 | L510-E512 PolarHBondContact O-N 2.84Å; L510-E512 VanDerWaalsContact O-N 3.17Å; E512-R516 WeakPolarHBondContact O-CG 3.09Å; E512-R516 PolarHBondContact O-N 3.44Å |
| 513 | H | 89.1 | Confident | 87.3 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.4 | -43.4 | 178.8 | -69.4 | 162.3 | 0 | 0 | 0 | 111.5 | N435 L438 F500 L510 V511 R516 F517 | N435-H513 PolarHBondContact OD1-ND1 2.73Å; L438-H513 HydrophobicContact CD1-CB 3.83Å; F500-H513 HydrophobicContact CZ-CB 4.16Å; F500-H513 WeakPolarHBondContact CZ-O 3.35Å; L510-H513 WeakPolarHBondContact O-CB 3.45Å; L510-H513 PolarHBondContact O-N 3.29Å; V511-H513 PolarHBondContact O-N 2.9Å; H513-R516 PolarHBondContact O-N 3.43Å; H513-F517 WeakPolarHBondContact O-CB 3.48Å; H513-F517 PolarHBondContact O-N 3.3Å |
| 514 | V | 90.3 | Very high | 87.6 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | F500 L509 L510 V511 R516 F517 Y518 | F500-V514 HydrophobicContact CE1-CG2 4.21Å; L509-V514 HydrophobicContact CB-CG2 3.7Å; L509-V514 HydrophobicContact CD1-CG2 4.03Å; L510-V514 PolarHBondContact O-N 2.86Å; V511-V514 PolarHBondContact O-N 2.9Å; V514-R516 PolarHBondContact O-N 3.06Å; V514-F517 PolarHBondContact O-N 2.96Å; V514-Y518 HydrophobicContact CG1-CD2 4.03Å; V514-Y518 HydrophobicContact CG1-CE1 4.03Å; V514-Y518 HydrophobicContact CG1-CE2 3.38Å; V514-Y518 WeakPolarHBondContact CG1-OH 3.46Å; V514-Y518 PolarHBondContact O-N 3.46Å |
| 515 | G | 91 | Very high | 88 | Confident | 39 Ų | 39 | 57 Ų | 57 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | V511 Y518 S519 | V511-G515 PolarHBondContact O-N 3.28Å; G515-Y518 PolarHBondContact O-N 3.15Å; G515-S519 PolarHBondContact O-N 3.31Å |
| 516 | R | 91 | Very high | 88.6 | Confident | 133 Ų | 133 | 59.1 Ų | 59.1 | 50% | 0.502 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 174.4 | -74.9 | -178.7 | -172.5 | -162 | 3.6 | 112.3 | F446 E512 H513 V514 Y518 S519 V520 | F446-R516 HydrophobicContact CD1-CB 3.95Å; F446-R516 HydrophobicContact CD2-CB 4.43Å; F446-R516 HydrophobicContact CE1-CB 3.72Å; F446-R516 HydrophobicContact CE2-CB 4.25Å; F446-R516 HydrophobicContact CG-CB 4.32Å; F446-R516 HydrophobicContact CZ-CB 3.89Å; E512-R516 WeakPolarHBondContact O-CG 3.09Å; E512-R516 PolarHBondContact O-N 3.44Å; H513-R516 PolarHBondContact O-N 3.43Å; V514-R516 PolarHBondContact O-N 3.06Å; R516-Y518 VanDerWaalsContact C-N 3.35Å; R516-Y518 PolarHBondContact O-N 2.91Å; R516-S519 WeakPolarHBondContact O-CB 3.14Å; R516-S519 PolarHBondContact O-N 3.13Å; R516-V520 WeakPolarHBondContact O-CG2 3.46Å; R516-V520 PolarHBondContact O-N 2.96Å |
| 517 | F | 93.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.4 | -179.2 | -124.4 | 0 | 0 | 0 | 112.2 | F446 L496 F500 H513 V514 S519 V520 I521 L543 | F446-F517 HydrophobicContact CE1-CB 4.1Å; F446-F517 HydrophobicContact CZ-CB 4.48Å; L496-F517 HydrophobicContact CB-CD2 4.25Å; L496-F517 HydrophobicContact CB-CE2 4.07Å; F500-F517 HydrophobicContact CB-CD1 4Å; F500-F517 HydrophobicContact CB-CE1 3.66Å; F500-F517 HydrophobicContact CB-CZ 4.03Å; F500-F517 AromaticContact CD1-CD1 3.96Å; F500-F517 HydrophobicContact CD1-CD1 3.96Å; F500-F517 HydrophobicContact CD1-CE1 4.47Å; F500-F517 HydrophobicContact CD1-CG 4.36Å; F500-F517 HydrophobicContact CD2-CB 4.02Å; F500-F517 AromaticContact CD2-CD1 3.73Å; F500-F517 HydrophobicContact CD2-CD1 3.73Å; F500-F517 AromaticContact CD2-CD2 3.69Å; F500-F517 HydrophobicContact CD2-CD2 3.69Å; F500-F517 HydrophobicContact CD2-CE1 4.06Å; F500-F517 HydrophobicContact CD2-CE2 4.03Å; F500-F517 AromaticContact CD2-CG 3.53Å; F500-F517 HydrophobicContact CD2-CG 3.53Å; F500-F517 HydrophobicContact CD2-CZ 4.2Å; F500-F517 HydrophobicContact CE1-CB 4.14Å; F500-F517 HydrophobicContact CE1-CD1 4.36Å; F500-F517 HydrophobicContact CE1-CG 4.42Å; F500-F517 HydrophobicContact CE2-CB 3.56Å; F500-F517 HydrophobicContact CE2-CD1 4.17Å; F500-F517 AromaticContact CE2-CD2 3.91Å; F500-F517 HydrophobicContact CE2-CD2 3.91Å; F500-F517 AromaticContact CE2-CG 3.62Å; F500-F517 HydrophobicContact CE2-CG 3.62Å; F500-F517 HydrophobicContact CG-CB 4.49Å; F500-F517 AromaticContact CG-CD1 3.62Å; F500-F517 HydrophobicContact CG-CD1 3.62Å; F500-F517 HydrophobicContact CG-CD2 4.4Å; F500-F517 AromaticContact CG-CE1 3.82Å; F500-F517 HydrophobicContact CG-CE1 3.82Å; F500-F517 AromaticContact CG-CG 3.93Å; F500-F517 HydrophobicContact CG-CG 3.93Å; F500-F517 HydrophobicContact CG-CZ 4.31Å; F500-F517 HydrophobicContact CZ-CB 3.62Å; F500-F517 HydrophobicContact CZ-CD1 4.45Å; F500-F517 HydrophobicContact CZ-CG 4.07Å; H513-F517 WeakPolarHBondContact O-CB 3.48Å; H513-F517 PolarHBondContact O-N 3.3Å; V514-F517 PolarHBondContact O-N 2.96Å; F517-S519 VanDerWaalsContact C-N 3.33Å; F517-S519 PolarHBondContact O-N 3.31Å; F517-V520 PolarHBondContact O-N 2.89Å; F517-I521 HydrophobicContact CD1-CD1 4.1Å; F517-I521 HydrophobicContact CE1-CD1 3.68Å; F517-I521 HydrophobicContact CE2-CD1 4.25Å; F517-I521 HydrophobicContact CE2-CG1 4.27Å; F517-I521 HydrophobicContact CZ-CD1 3.76Å; F517-I521 HydrophobicContact CZ-CG1 4.26Å; F517-I521 WeakPolarHBondContact O-CG1 3.46Å; F517-I521 PolarHBondContact O-N 3.17Å; F517-L543 HydrophobicContact CE1-CD1 3.77Å |
| 518 | Y | 94.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 60 Ų | 60 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 173.2 | -63.8 | -17.4 | 0 | 0 | 0 | 112.8 | V514 G515 R516 I521 R522 L548 R549 G550 C551 V554 | V514-Y518 HydrophobicContact CG1-CD2 4.03Å; V514-Y518 HydrophobicContact CG1-CE1 4.03Å; V514-Y518 HydrophobicContact CG1-CE2 3.38Å; V514-Y518 WeakPolarHBondContact CG1-OH 3.46Å; V514-Y518 PolarHBondContact O-N 3.46Å; G515-Y518 PolarHBondContact O-N 3.15Å; R516-Y518 VanDerWaalsContact C-N 3.35Å; R516-Y518 PolarHBondContact O-N 2.91Å; Y518-I521 HydrophobicContact CD1-CD1 4.43Å; Y518-I521 PolarHBondContact O-N 2.91Å; Y518-R522 VanDerWaalsContact O-CG 3.32Å; Y518-R522 WeakPolarHBondContact O-CG 3.41Å; Y518-R522 PolarHBondContact O-N 3.36Å; Y518-L548 WeakPolarHBondContact OH-CB 3.24Å; Y518-L548 PolarHBondContact OH-O 3.45Å; Y518-R549 PolarHBondContact OH-O 2.58Å; Y518-G550 WeakPolarHBondContact CE2-O 3.18Å; Y518-C551 VanDerWaalsContact OH-CA 3.26Å; Y518-C551 WeakPolarHBondContact OH-CA 3.39Å; Y518-C551 PolarHBondContact OH-N 3.02Å; Y518-C551 VanDerWaalsContact OH-N 3.12Å; Y518-V554 HydrophobicContact CD1-CG1 3.78Å; Y518-V554 HydrophobicContact CD1-CG2 4.21Å; Y518-V554 HydrophobicContact CE1-CG2 4.32Å; Y518-V554 HydrophobicContact CG-CG1 3.76Å |
| 519 | S | 92.1 | Very high | 89.5 | Confident | 48 Ų | 48 | 53 Ų | 53 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 171.3 | -150.9 | 0 | 0 | 0 | 0 | 111 | G515 R516 F517 I521 R522 E523 | G515-S519 PolarHBondContact O-N 3.31Å; R516-S519 WeakPolarHBondContact O-CB 3.14Å; R516-S519 PolarHBondContact O-N 3.13Å; F517-S519 VanDerWaalsContact C-N 3.33Å; F517-S519 PolarHBondContact O-N 3.31Å; S519-I521 VanDerWaalsContact C-N 3.32Å; S519-I521 PolarHBondContact O-N 3.22Å; S519-R522 PolarHBondContact O-N 2.88Å; S519-R522 VanDerWaalsContact O-N 3.1Å; S519-E523 WeakPolarHBondContact O-CB 3.04Å; S519-E523 WeakPolarHBondContact O-CG 3.17Å; S519-E523 PolarHBondContact O-N 2.97Å; S519-E523 PolarHBondContact OG-OE1 3.35Å |
| 520 | V | 92.7 | Very high | 89.5 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | F446 C449 I493 R516 F517 T524 | F446-V520 HydrophobicContact CD1-CG2 4.01Å; C449-V520 HydrophobicContact CB-CG1 3.73Å; C449-V520 HydrophobicContact CB-CG2 4.07Å; I493-V520 HydrophobicContact CG1-CG1 4.22Å; R516-V520 WeakPolarHBondContact O-CG2 3.46Å; R516-V520 PolarHBondContact O-N 2.96Å; F517-V520 PolarHBondContact O-N 2.89Å; V520-T524 WeakPolarHBondContact O-CB 3.25Å; V520-T524 PolarHBondContact O-N 3.18Å; V520-T524 PolarHBondContact O-OG1 3.24Å |
| 521 | I | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -49.4 | 175.7 | -70.8 | 175.5 | 0 | 0 | 0 | 110.5 | F517 Y518 S519 T524 I525 L536 L543 V554 L558 | F517-I521 HydrophobicContact CD1-CD1 4.1Å; F517-I521 HydrophobicContact CE1-CD1 3.68Å; F517-I521 HydrophobicContact CE2-CD1 4.25Å; F517-I521 HydrophobicContact CE2-CG1 4.27Å; F517-I521 HydrophobicContact CZ-CD1 3.76Å; F517-I521 HydrophobicContact CZ-CG1 4.26Å; F517-I521 WeakPolarHBondContact O-CG1 3.46Å; F517-I521 PolarHBondContact O-N 3.17Å; Y518-I521 HydrophobicContact CD1-CD1 4.43Å; Y518-I521 PolarHBondContact O-N 2.91Å; S519-I521 VanDerWaalsContact C-N 3.32Å; S519-I521 PolarHBondContact O-N 3.22Å; I521-T524 PolarHBondContact O-N 3.3Å; I521-I525 HydrophobicContact CG2-CD1 3.65Å; I521-I525 WeakPolarHBondContact O-CB 3.27Å; I521-I525 WeakPolarHBondContact O-CD1 3.44Å; I521-I525 WeakPolarHBondContact O-CG1 3.35Å; I521-I525 PolarHBondContact O-N 2.89Å; I521-L536 HydrophobicContact CG1-CD1 4.06Å; I521-L536 HydrophobicContact CG2-CD2 4.28Å; I521-L543 HydrophobicContact CD1-CD2 3.97Å; I521-V554 HydrophobicContact CB-CG1 4.35Å; I521-V554 HydrophobicContact CD1-CG2 4.5Å; I521-V554 HydrophobicContact CG2-CB 4.09Å; I521-V554 HydrophobicContact CG2-CG1 4.13Å; I521-L558 HydrophobicContact CG2-CD2 4.32Å; I521-L558 HydrophobicContact CG2-CG 4.41Å |
| 522 | R | 92.5 | Very high | 89.8 | Confident | 133 Ų | 133 | 45 Ų | 45 | 50% | 0.502 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -44.8 | -178 | -71.2 | 178.1 | 68.6 | -151.7 | -2.6 | 112.1 | Y518 S519 I525 A526 V554 H557 | Y518-R522 VanDerWaalsContact O-CG 3.32Å; Y518-R522 WeakPolarHBondContact O-CG 3.41Å; Y518-R522 PolarHBondContact O-N 3.36Å; S519-R522 PolarHBondContact O-N 2.88Å; S519-R522 VanDerWaalsContact O-N 3.1Å; R522-I525 PolarHBondContact O-N 3.35Å; R522-A526 VanDerWaalsContact O-CB 3.28Å; R522-A526 WeakPolarHBondContact O-CB 3.37Å; R522-A526 PolarHBondContact O-N 3.37Å; R522-V554 HydrophobicContact CG-CG1 4.37Å; R522-H557 PolarHBondContact NE-CE1 3.12Å; R522-H557 PolarHBondContact NE-NE2 2.87Å; R522-H557 VanDerWaalsContact NE-NE2 3.15Å |
| 523 | E | 91 | Very high | 90 | Very high | 90 Ų | 90 | 38.7 Ų | 38.7 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 177.5 | -72.8 | 162 | -149.4 | 0 | 0 | 111.2 | S519 I525 A526 E527 | S519-E523 WeakPolarHBondContact O-CB 3.04Å; S519-E523 WeakPolarHBondContact O-CG 3.17Å; S519-E523 PolarHBondContact O-N 2.97Å; S519-E523 PolarHBondContact OG-OE1 3.35Å; E523-I525 VanDerWaalsContact C-N 3.33Å; E523-I525 PolarHBondContact O-N 3.44Å; E523-A526 PolarHBondContact O-N 3.03Å; E523-E527 WeakPolarHBondContact O-CB 3.38Å; E523-E527 PolarHBondContact O-N 3.2Å |
| 524 | T | 90.8 | Very high | 90 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | I493 V520 I521 G528 I532 V533 L536 | I493-T524 HydrophobicContact CD1-CG2 3.89Å; I493-T524 VanDerWaalsContact CD1-OG1 3.3Å; I493-T524 WeakPolarHBondContact CD1-OG1 2.91Å; V520-T524 WeakPolarHBondContact O-CB 3.25Å; V520-T524 PolarHBondContact O-N 3.18Å; V520-T524 PolarHBondContact O-OG1 3.24Å; I521-T524 PolarHBondContact O-N 3.3Å; T524-G528 PolarHBondContact O-N 3.02Å; T524-I532 HydrophobicContact CG2-CB 4.35Å; T524-I532 HydrophobicContact CG2-CG2 3.55Å; T524-V533 HydrophobicContact CG2-CG2 4.27Å; T524-L536 HydrophobicContact CG2-CD2 4.13Å |
| 525 | I | 90.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.7 | -36.8 | 179.2 | -66.9 | 167.4 | 0 | 0 | 0 | 111.1 | I521 R522 E523 G528 L536 H557 L558 A561 | I521-I525 HydrophobicContact CG2-CD1 3.65Å; I521-I525 WeakPolarHBondContact O-CB 3.27Å; I521-I525 WeakPolarHBondContact O-CD1 3.44Å; I521-I525 WeakPolarHBondContact O-CG1 3.35Å; I521-I525 PolarHBondContact O-N 2.89Å; R522-I525 PolarHBondContact O-N 3.35Å; E523-I525 VanDerWaalsContact C-N 3.33Å; E523-I525 PolarHBondContact O-N 3.44Å; I525-G528 PolarHBondContact O-N 2.88Å; I525-L536 HydrophobicContact CD1-CD2 4.27Å; I525-L536 HydrophobicContact CG1-CD2 4.04Å; I525-H557 HydrophobicContact CD1-CB 3.82Å; I525-H557 HydrophobicContact CG2-CB 4.42Å; I525-L558 HydrophobicContact CD1-CD2 3.73Å; I525-L558 HydrophobicContact CD1-CG 4.11Å; I525-A561 HydrophobicContact CD1-CB 4.15Å; I525-A561 HydrophobicContact CG1-CB 3.98Å; I525-A561 HydrophobicContact CG2-CB 3.94Å |
| 526 | A | 88.6 | Confident | 90.2 | Very high | 88 Ų | 88 | 35.2 Ų | 35.2 | 73% | 0.727 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -67.6 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R522 E523 G528 | R522-A526 VanDerWaalsContact O-CB 3.28Å; R522-A526 WeakPolarHBondContact O-CB 3.37Å; R522-A526 PolarHBondContact O-N 3.37Å; E523-A526 PolarHBondContact O-N 3.03Å; A526-G528 VanDerWaalsContact C-N 3.33Å |
| 527 | E | 85.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 28.9 Ų | 28.9 | 42% | 0.421 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.8 | -40 | 173.8 | -177.9 | 178.3 | -178.1 | 0 | 0 | 111.6 | R489 E523 D529 | R489-E527 IonicContact CZ-OE1 3.7Å; R489-E527 IonicContact CZ-OE2 2.77Å; R489-E527 VanDerWaalsContact CZ-OE2 3.28Å; R489-E527 VanDerWaalsContact NH1-CD 3.27Å; R489-E527 IonicContact NH1-OE1 2.81Å; R489-E527 PolarHBondContact NH1-OE1 3.43Å; R489-E527 IonicContact NH1-OE2 3.01Å; R489-E527 PolarHBondContact NH1-OE2 3.05Å; R489-E527 IonicContact NH2-OE1 3.87Å; R489-E527 IonicContact NH2-OE2 2.74Å; R489-E527 PolarHBondContact NH2-OE2 2.94Å; E523-E527 WeakPolarHBondContact O-CB 3.38Å; E523-E527 PolarHBondContact O-N 3.2Å; E527-D529 VanDerWaalsContact C-N 3.29Å; E527-D529 HydrophobicContact CG-CB 4.46Å; E527-D529 PolarHBondContact O-N 3.07Å |
| 528 | G | 84.2 | Confident | 90 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 41% | 0.412 | 17% | 0.165 | S | C | . | . | trans | 72.6 | 15.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | T524 I525 A526 P530 | T524-G528 PolarHBondContact O-N 3.02Å; I525-G528 PolarHBondContact O-N 2.88Å; A526-G528 VanDerWaalsContact C-N 3.33Å; G528-P530 VanDerWaalsContact O-CD 3.24Å; G528-P530 WeakPolarHBondContact O-CD 3.02Å | ||
| 529 | D | 87 | Confident | 89.8 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | trans | -62.8 | 116.5 | 173.8 | -174.1 | -48.3 | 0 | 0 | 0 | 110 | R486 E527 M531 I532 V533 | R486-D529 WeakPolarHBondContact CD-OD2 3.48Å; R486-D529 IonicContact NH1-OD2 3.58Å; E527-D529 VanDerWaalsContact C-N 3.29Å; E527-D529 HydrophobicContact CG-CB 4.46Å; E527-D529 PolarHBondContact O-N 3.07Å; D529-M531 VanDerWaalsContact C-N 3.26Å; D529-M531 PolarHBondContact O-N 3.5Å; D529-M531 VanDerWaalsContact OD1-CB 3.24Å; D529-M531 WeakPolarHBondContact OD1-CB 3.45Å; D529-M531 PolarHBondContact OD1-N 3.39Å; D529-I532 HydrophobicContact CB-CB 4.16Å; D529-I532 HydrophobicContact CB-CD1 3.96Å; D529-I532 HydrophobicContact CB-CG1 3.95Å; D529-I532 PolarHBondContact O-N 3.4Å; D529-I532 VanDerWaalsContact O-N 3.15Å; D529-V533 WeakPolarHBondContact O-CB 3.48Å; D529-V533 WeakPolarHBondContact O-CG2 3.46Å; D529-V533 PolarHBondContact O-N 3.15Å | ||
| 530 | P | 84.1 | Confident | 89.7 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -32.3 | -174.9 | -27 | 37.3 | 0 | 0 | 0 | 114.1 | G528 S534 Q573 | G528-P530 VanDerWaalsContact O-CD 3.24Å; G528-P530 WeakPolarHBondContact O-CD 3.02Å; P530-S534 WeakPolarHBondContact O-CB 3.32Å; P530-S534 PolarHBondContact O-N 2.82Å; P530-S534 PolarHBondContact O-OG 3.06Å; P530-Q573 HydrophobicContact CB-CB 4.2Å; P530-Q573 HydrophobicContact CG-CB 4.33Å |
| 531 | M | 86.5 | Confident | 89.6 | Confident | 12 Ų | 12 | 26.2 Ų | 26.2 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 179.3 | -175.5 | -178.2 | -160.8 | 0 | 0 | 110.7 | L414 I483 R486 A487 D529 S535 M575 | L414-M531 HydrophobicContact CD2-CE 3.3Å; L414-M531 HydrophobicContact CD2-CG 3.75Å; L414-M531 HydrophobicContact CD2-SD 4.3Å; I483-M531 HydrophobicContact CG2-CE 4.42Å; R486-M531 HydrophobicContact CB-SD 3.85Å; A487-M531 HydrophobicContact CB-CE 3.39Å; A487-M531 HydrophobicContact CB-SD 4.45Å; D529-M531 VanDerWaalsContact C-N 3.26Å; D529-M531 PolarHBondContact O-N 3.5Å; D529-M531 VanDerWaalsContact OD1-CB 3.24Å; D529-M531 WeakPolarHBondContact OD1-CB 3.45Å; D529-M531 PolarHBondContact OD1-N 3.39Å; M531-S535 PolarHBondContact O-N 3.35Å; M531-S535 PolarHBondContact O-OG 3.06Å; M531-M575 HydrophobicContact CB-CG 4.3Å; M531-M575 HydrophobicContact CE-CE 4.13Å; M531-M575 HydrophobicContact CG-CG 4.02Å; M531-M575 HydrophobicContact CG-SD 4.4Å |
| 532 | I | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -77.3 | -45.8 | -176.6 | -53.4 | -175.6 | 0 | 0 | 0 | 110.3 | R489 A490 I493 T524 D529 S534 S535 L536 | R489-I532 HydrophobicContact CB-CD1 4.05Å; A490-I532 HydrophobicContact CB-CG1 4.5Å; I493-I532 HydrophobicContact CD1-CG2 3.22Å; T524-I532 HydrophobicContact CG2-CB 4.35Å; T524-I532 HydrophobicContact CG2-CG2 3.55Å; D529-I532 HydrophobicContact CB-CB 4.16Å; D529-I532 HydrophobicContact CB-CD1 3.96Å; D529-I532 HydrophobicContact CB-CG1 3.95Å; D529-I532 PolarHBondContact O-N 3.4Å; D529-I532 VanDerWaalsContact O-N 3.15Å; I532-S534 PolarHBondContact O-N 2.77Å; I532-S535 WeakPolarHBondContact O-CB 3.21Å; I532-S535 PolarHBondContact O-N 2.78Å; I532-S535 VanDerWaalsContact O-N 3.17Å; I532-L536 PolarHBondContact O-N 3.1Å |
| 533 | V | 90.8 | Very high | 89.1 | Confident | 11 Ų | 11 | 20.6 Ų | 20.6 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | T524 D529 S535 L536 L537 A561 | T524-V533 HydrophobicContact CG2-CG2 4.27Å; D529-V533 WeakPolarHBondContact O-CB 3.48Å; D529-V533 WeakPolarHBondContact O-CG2 3.46Å; D529-V533 PolarHBondContact O-N 3.15Å; V533-S535 VanDerWaalsContact C-N 3.28Å; V533-S535 PolarHBondContact O-N 3.03Å; V533-L536 WeakPolarHBondContact O-CB 3.4Å; V533-L536 PolarHBondContact O-N 2.93Å; V533-L537 HydrophobicContact CG1-CD1 3.91Å; V533-L537 HydrophobicContact CG1-CG 4.38Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.1Å; V533-A561 HydrophobicContact CG1-CB 4.24Å |
| 534 | S | 90 | Very high | 88.9 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 175.2 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | P530 I532 L537 V538 | P530-S534 WeakPolarHBondContact O-CB 3.32Å; P530-S534 PolarHBondContact O-N 2.82Å; P530-S534 PolarHBondContact O-OG 3.06Å; I532-S534 PolarHBondContact O-N 2.77Å; S534-L537 PolarHBondContact O-N 3.28Å; S534-V538 WeakPolarHBondContact O-CG2 3.34Å; S534-V538 PolarHBondContact O-N 3.03Å |
| 535 | S | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.1 | -39.2 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | M531 I532 V533 Y539 | M531-S535 PolarHBondContact O-N 3.35Å; M531-S535 PolarHBondContact O-OG 3.06Å; I532-S535 WeakPolarHBondContact O-CB 3.21Å; I532-S535 PolarHBondContact O-N 2.78Å; I532-S535 VanDerWaalsContact O-N 3.17Å; V533-S535 VanDerWaalsContact C-N 3.28Å; V533-S535 PolarHBondContact O-N 3.03Å; S535-Y539 PolarHBondContact O-N 3.39Å |
| 536 | L | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -52.8 | 171.1 | 175.3 | 62.1 | 0 | 0 | 0 | 111.4 | I493 I521 T524 I525 I532 V533 V538 Y539 S540 L558 | I493-L536 HydrophobicContact CG2-CB 3.86Å; I493-L536 HydrophobicContact CG2-CD1 3.89Å; I493-L536 HydrophobicContact CG2-CG 4.46Å; I521-L536 HydrophobicContact CG1-CD1 4.06Å; I521-L536 HydrophobicContact CG2-CD2 4.28Å; T524-L536 HydrophobicContact CG2-CD2 4.13Å; I525-L536 HydrophobicContact CD1-CD2 4.27Å; I525-L536 HydrophobicContact CG1-CD2 4.04Å; I532-L536 PolarHBondContact O-N 3.1Å; V533-L536 WeakPolarHBondContact O-CB 3.4Å; V533-L536 PolarHBondContact O-N 2.93Å; L536-V538 PolarHBondContact O-N 2.88Å; L536-Y539 PolarHBondContact O-N 3.34Å; L536-S540 WeakPolarHBondContact O-CB 3.24Å; L536-S540 PolarHBondContact O-N 3.13Å; L536-S540 PolarHBondContact O-OG 3.06Å; L536-L558 HydrophobicContact CD2-CD2 4.29Å |
| 537 | L | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | -174 | -69.1 | 171.9 | 0 | 0 | 0 | 112.9 | V533 S534 L558 V562 L565 L588 | V533-L537 HydrophobicContact CG1-CD1 3.91Å; V533-L537 HydrophobicContact CG1-CG 4.38Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.1Å; S534-L537 PolarHBondContact O-N 3.28Å; L537-L558 HydrophobicContact CD2-CD2 3.86Å; L537-V562 HydrophobicContact CD1-CG2 4.44Å; L537-V562 HydrophobicContact CD2-CG2 4.05Å; L537-L565 HydrophobicContact CD1-CD2 3.79Å; L537-L588 HydrophobicContact CD2-CD2 3.77Å |
| 538 | V | 89.6 | Confident | 87.5 | Confident | 5 Ų | 5 | 9 Ų | 9 | 3% | 0.03 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 112.6 | L418 P421 S534 L536 M581 A584 | L418-V538 HydrophobicContact CD2-CB 4.04Å; L418-V538 HydrophobicContact CD2-CG1 4.19Å; L418-V538 HydrophobicContact CD2-CG2 4.15Å; P421-V538 HydrophobicContact CB-CG1 3.69Å; P421-V538 HydrophobicContact CG-CG1 4.03Å; S534-V538 WeakPolarHBondContact O-CG2 3.34Å; S534-V538 PolarHBondContact O-N 3.03Å; L536-V538 PolarHBondContact O-N 2.88Å; V538-M581 HydrophobicContact CG2-CE 3.9Å; V538-M581 HydrophobicContact CG2-SD 3.49Å; V538-M581 WeakPolarHBondContact CG2-SD 3.46Å; V538-A584 HydrophobicContact CG2-CB 4.11Å |
| 539 | Y | 89.9 | Confident | 87.3 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 3% | 0.027 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -102 | -2.6 | -174.7 | -76.7 | -86.9 | 0 | 0 | 0 | 114.6 | M417 L418 P421 V423 I494 S497 K498 S535 L536 | M417-Y539 PolarHBondContact O-OH 3.4Å; L418-Y539 HydrophobicContact CD2-CD2 4.44Å; L418-Y539 HydrophobicContact CD2-CE2 4.1Å; P421-Y539 HydrophobicContact CB-CE1 4.07Å; P421-Y539 HydrophobicContact CB-CE2 4.33Å; V423-Y539 HydrophobicContact CG2-CD1 4.41Å; I494-Y539 HydrophobicContact CB-CD2 4.13Å; I494-Y539 HydrophobicContact CB-CE2 4.37Å; I494-Y539 HydrophobicContact CB-CG 4.33Å; I494-Y539 HydrophobicContact CD1-CD2 4.07Å; I494-Y539 HydrophobicContact CD1-CE2 3.81Å; I494-Y539 HydrophobicContact CG1-CD2 3.56Å; I494-Y539 HydrophobicContact CG1-CE2 3.81Å; I494-Y539 HydrophobicContact CG1-CG 4.21Å; I494-Y539 HydrophobicContact CG2-CD1 3.84Å; I494-Y539 HydrophobicContact CG2-CD2 3.74Å; I494-Y539 HydrophobicContact CG2-CE1 3.81Å; I494-Y539 HydrophobicContact CG2-CE2 3.7Å; I494-Y539 HydrophobicContact CG2-CG 3.77Å; S497-Y539 WeakPolarHBondContact CB-O 2.98Å; K498-Y539 HydrophobicContact CD-CD1 4.3Å; K498-Y539 HydrophobicContact CD-CE1 4.26Å; K498-Y539 HydrophobicContact CG-CD1 3.71Å; K498-Y539 HydrophobicContact CG-CE1 4.16Å; S535-Y539 PolarHBondContact O-N 3.39Å; L536-Y539 PolarHBondContact O-N 3.34Å |
| 540 | S | 90.4 | Very high | 87 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -101.9 | 11 | 175.7 | 61.7 | 0 | 0 | 0 | 0 | 114 | L536 N542 L543 L588 | L536-S540 WeakPolarHBondContact O-CB 3.24Å; L536-S540 PolarHBondContact O-N 3.13Å; L536-S540 PolarHBondContact O-OG 3.06Å; S540-N542 PolarHBondContact O-N 3.37Å; S540-N542 VanDerWaalsContact O-N 3.08Å; S540-L543 WeakPolarHBondContact O-CB 3.14Å; S540-L543 PolarHBondContact O-N 3.08Å; S540-L588 WeakPolarHBondContact O-CD1 3.43Å | ||
| 541 | T | 88.6 | Confident | 87 | Confident | 12 Ų | 12 | 17.1 Ų | 17.1 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.1 | -176.2 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | A584 R587 | T541-A584 HydrophobicContact CG2-CB 4.04Å; T541-A584 WeakPolarHBondContact CG2-O 3.35Å; T541-R587 HydrophobicContact CG2-CB 4.28Å |
| 542 | N | 87 | Confident | 86.6 | Confident | 17 Ų | 17 | 20.3 Ų | 20.3 | 9% | 0.091 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3 | 176.4 | -70.5 | -26.8 | 0 | 0 | 0 | 113.8 | C501 S540 F544 R545 V546 | C501-N542 HydrophobicContact CB-CB 4.09Å; S540-N542 PolarHBondContact O-N 3.37Å; S540-N542 VanDerWaalsContact O-N 3.08Å; N542-F544 VanDerWaalsContact C-N 3.32Å; N542-F544 PolarHBondContact O-N 2.63Å; N542-R545 HydrophobicContact CB-CB 4.46Å; N542-R545 WeakPolarHBondContact O-CA 3.49Å; N542-R545 WeakPolarHBondContact O-CB 3.47Å; N542-R545 PolarHBondContact O-N 3.37Å; N542-R545 WeakPolarHBondContact OD1-CD 3.23Å; N542-R545 PolarHBondContact OD1-NH1 3.14Å; N542-V546 WeakPolarHBondContact O-CG2 3.44Å; N542-V546 PolarHBondContact O-N 2.79Å |
| 543 | L | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -47 | -174.3 | 178.9 | 64.1 | 0 | 0 | 0 | 112.7 | F517 I521 S540 L548 V554 L558 | F517-L543 HydrophobicContact CE1-CD1 3.77Å; I521-L543 HydrophobicContact CD1-CD2 3.97Å; S540-L543 WeakPolarHBondContact O-CB 3.14Å; S540-L543 PolarHBondContact O-N 3.08Å; L543-L548 HydrophobicContact CD1-CD1 3.94Å; L543-V554 HydrophobicContact CD2-CG2 4.13Å; L543-L558 HydrophobicContact CD2-CD1 3.56Å |
| 544 | F | 87.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -19 | 178.8 | -59.5 | -55.6 | 0 | 0 | 0 | 113.3 | N542 C551 W555 L558 L588 A591 F595 | N542-F544 VanDerWaalsContact C-N 3.32Å; N542-F544 PolarHBondContact O-N 2.63Å; F544-C551 HydrophobicContact CD1-CB 4.23Å; F544-C551 HydrophobicContact CE1-CB 4.4Å; F544-W555 HydrophobicContact CE1-CB 3.86Å; F544-W555 HydrophobicContact CE1-CG 4.41Å; F544-W555 AromaticContact CE2-CD1 3.85Å; F544-W555 HydrophobicContact CZ-CB 3.75Å; F544-W555 AromaticContact CZ-CD1 3.62Å; F544-W555 HydrophobicContact CZ-CG 4.07Å; F544-L558 HydrophobicContact CE2-CD1 3.94Å; F544-L558 HydrophobicContact CZ-CD1 3.6Å; F544-L588 HydrophobicContact CD2-CD1 3.83Å; F544-L588 HydrophobicContact CD2-CG 4.4Å; F544-L588 HydrophobicContact CE2-CD1 3.79Å; F544-L588 HydrophobicContact CE2-CG 4.18Å; F544-A591 HydrophobicContact CB-CB 3.78Å; F544-F595 HydrophobicContact CB-CE2 4.2Å; F544-F595 HydrophobicContact CB-CZ 3.98Å; F544-F595 AromaticContact CD1-CE2 3.84Å; F544-F595 HydrophobicContact CD1-CE2 3.84Å; F544-F595 HydrophobicContact CD1-CZ 4.4Å; F544-F595 HydrophobicContact CE1-CE2 4.48Å; F544-F595 HydrophobicContact CG-CE2 4.09Å; F544-F595 HydrophobicContact CG-CZ 4.38Å |
| 545 | R | 85.9 | Confident | 86.2 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -29.6 | 178 | -62.2 | -179.6 | -176.6 | -179.3 | -11.3 | 112.8 | N542 N547 S590 A591 L1262 D1286 G1287 | N542-R545 HydrophobicContact CB-CB 4.46Å; N542-R545 WeakPolarHBondContact O-CA 3.49Å; N542-R545 WeakPolarHBondContact O-CB 3.47Å; N542-R545 PolarHBondContact O-N 3.37Å; N542-R545 WeakPolarHBondContact OD1-CD 3.23Å; N542-R545 PolarHBondContact OD1-NH1 3.14Å; R545-N547 VanDerWaalsContact C-N 3.3Å; R545-S590 PolarHBondContact NH2-OG 2.97Å; R545-A591 HydrophobicContact CG-CB 3.49Å; R545-A591 VanDerWaalsContact CG-CB 3.49Å; R545-L1262 WeakPolarHBondContact O-CD2 3.22Å; R545-D1286 PolarHBondContact NH2-O 3.14Å; R545-G1287 PolarHBondContact NE-O 3.13Å |
| 546 | V | 81.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 15% | 0.152 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | C501 K503 N542 L548 | C501-V546 VanDerWaalsContact O-CG2 3.23Å; C501-V546 WeakPolarHBondContact O-CG2 3.41Å; K503-V546 HydrophobicContact CB-CG1 3.71Å; K503-V546 HydrophobicContact CD-CG1 3.95Å; K503-V546 HydrophobicContact CG-CG1 4.4Å; N542-V546 WeakPolarHBondContact O-CG2 3.44Å; N542-V546 PolarHBondContact O-N 2.79Å; V546-L548 HydrophobicContact CG1-CD2 3.75Å; V546-L548 HydrophobicContact CG1-CG 4.12Å |
| 547 | N | 74.7 | Confident | 86 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 55.8 | 178 | -166.1 | 20.4 | 0 | 0 | 0 | 113.9 | R545 R549 L1262 V1263 N1264 | R545-N547 VanDerWaalsContact C-N 3.3Å; N547-R549 PolarHBondContact O-N 2.74Å; N547-L1262 HydrophobicContact CB-CB 3.96Å; N547-L1262 HydrophobicContact CB-CD1 4.17Å; N547-L1262 HydrophobicContact CB-CD2 4.37Å; N547-L1262 HydrophobicContact CB-CG 4.42Å; N547-L1262 WeakPolarHBondContact ND2-CB 3.39Å; N547-V1263 PolarHBondContact ND2-N 2.76Å; N547-N1264 WeakPolarHBondContact ND2-CB 3.25Å; N547-N1264 PolarHBondContact ND2-N 3.13Å; N547-N1264 PolarHBondContact ND2-OD1 3.3Å; N547-N1264 VanDerWaalsContact OD1-CG 3.3Å; N547-N1264 PolarHBondContact OD1-ND2 2.98Å; N547-N1264 VanDerWaalsContact OD1-ND2 3.15Å |
| 548 | L | 83.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | trans | -62.9 | 135.2 | 172 | -61.6 | -179.1 | 0 | 0 | 0 | 109.8 | F500 K503 L509 Y518 L543 V546 G550 C551 | F500-L548 HydrophobicContact CB-CD1 4.17Å; F500-L548 HydrophobicContact CD1-CD1 3.95Å; F500-L548 HydrophobicContact CG-CD1 4.48Å; K503-L548 HydrophobicContact CD-CD2 3.73Å; L509-L548 HydrophobicContact CD1-CD2 3.59Å; Y518-L548 WeakPolarHBondContact OH-CB 3.24Å; Y518-L548 PolarHBondContact OH-O 3.45Å; L543-L548 HydrophobicContact CD1-CD1 3.94Å; V546-L548 HydrophobicContact CG1-CD2 3.75Å; V546-L548 HydrophobicContact CG1-CG 4.12Å; L548-G550 PolarHBondContact O-N 3.45Å; L548-G550 VanDerWaalsContact O-N 3.1Å; L548-C551 HydrophobicContact CB-CB 4.44Å; L548-C551 VanDerWaalsContact O-CB 3.28Å; L548-C551 WeakPolarHBondContact O-CB 3.17Å; L548-C551 PolarHBondContact O-N 2.89Å; L548-C551 PolarHBondContact O-SG 3.15Å; L548-C551 VanDerWaalsContact O-SG 3.35Å | ||
| 549 | R | 79.7 | Confident | 86.2 | Confident | 212 Ų | 212 | 27.5 Ų | 27.5 | 80% | 0.8 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 118.8 | -179.2 | -176 | 179.6 | 179.6 | -179 | 0.4 | 110.4 | Y518 N547 | Y518-R549 PolarHBondContact OH-O 2.58Å; N547-R549 PolarHBondContact O-N 2.74Å |
| 550 | G | 80.1 | Confident | 86.2 | Confident | 39 Ų | 39 | 28.6 Ų | 28.6 | 40% | 0.402 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 14.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y518 L548 E552 A553 | Y518-G550 WeakPolarHBondContact CE2-O 3.18Å; L548-G550 PolarHBondContact O-N 3.45Å; L548-G550 VanDerWaalsContact O-N 3.1Å; G550-E552 PolarHBondContact O-N 3.05Å; G550-E552 VanDerWaalsContact O-N 3.11Å; G550-A553 WeakPolarHBondContact O-CB 3.13Å; G550-A553 PolarHBondContact O-N 3.2Å |
| 551 | C | 84 | Confident | 86.2 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -59 | -23.1 | 178.6 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | Y518 F544 L548 A553 V554 | Y518-C551 VanDerWaalsContact OH-CA 3.26Å; Y518-C551 WeakPolarHBondContact OH-CA 3.39Å; Y518-C551 PolarHBondContact OH-N 3.02Å; Y518-C551 VanDerWaalsContact OH-N 3.12Å; F544-C551 HydrophobicContact CD1-CB 4.23Å; F544-C551 HydrophobicContact CE1-CB 4.4Å; L548-C551 HydrophobicContact CB-CB 4.44Å; L548-C551 VanDerWaalsContact O-CB 3.28Å; L548-C551 WeakPolarHBondContact O-CB 3.17Å; L548-C551 PolarHBondContact O-N 2.89Å; L548-C551 PolarHBondContact O-SG 3.15Å; L548-C551 VanDerWaalsContact O-SG 3.35Å; C551-A553 PolarHBondContact O-N 3.26Å; C551-V554 WeakPolarHBondContact O-CG2 3.31Å; C551-V554 PolarHBondContact O-N 3.32Å |
| 552 | E | 78.9 | Confident | 86.4 | Confident | 79 Ų | 79 | 28.2 Ų | 28.2 | 37% | 0.369 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -55.1 | -31.6 | 173.8 | -68 | 154.3 | -145.4 | 0 | 0 | 112.5 | G550 V554 W555 P556 F599 | G550-E552 PolarHBondContact O-N 3.05Å; G550-E552 VanDerWaalsContact O-N 3.11Å; E552-V554 VanDerWaalsContact C-N 3.26Å; E552-V554 PolarHBondContact O-N 3.39Å; E552-W555 WeakPolarHBondContact O-CB 3.28Å; E552-W555 PolarHBondContact O-N 3.13Å; E552-P556 VanDerWaalsContact O-CD 3.27Å; E552-P556 WeakPolarHBondContact O-CD 3.43Å; E552-F599 VanDerWaalsContact CD-CZ 3.5Å; E552-F599 HydrophobicContact CG-CE1 3.89Å; E552-F599 HydrophobicContact CG-CE2 3.84Å; E552-F599 HydrophobicContact CG-CZ 3.44Å; E552-F599 VanDerWaalsContact CG-CZ 3.44Å; E552-F599 WeakPolarHBondContact OE1-CE1 3.45Å; E552-F599 WeakPolarHBondContact OE1-CZ 3.37Å |
| 553 | A | 83.5 | Confident | 86.4 | Confident | 63 Ų | 63 | 32 Ų | 32 | 52% | 0.521 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -64.9 | -26.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G550 C551 H557 | G550-A553 WeakPolarHBondContact O-CB 3.13Å; G550-A553 PolarHBondContact O-N 3.2Å; C551-A553 PolarHBondContact O-N 3.26Å; A553-H557 PolarHBondContact O-ND1 3.11Å |
| 554 | V | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -94.9 | -13.5 | 178.2 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | Y518 I521 R522 L543 C551 E552 H557 L558 | Y518-V554 HydrophobicContact CD1-CG1 3.78Å; Y518-V554 HydrophobicContact CD1-CG2 4.21Å; Y518-V554 HydrophobicContact CE1-CG2 4.32Å; Y518-V554 HydrophobicContact CG-CG1 3.76Å; I521-V554 HydrophobicContact CB-CG1 4.35Å; I521-V554 HydrophobicContact CD1-CG2 4.5Å; I521-V554 HydrophobicContact CG2-CB 4.09Å; I521-V554 HydrophobicContact CG2-CG1 4.13Å; R522-V554 HydrophobicContact CG-CG1 4.37Å; L543-V554 HydrophobicContact CD2-CG2 4.13Å; C551-V554 WeakPolarHBondContact O-CG2 3.31Å; C551-V554 PolarHBondContact O-N 3.32Å; E552-V554 VanDerWaalsContact C-N 3.26Å; E552-V554 PolarHBondContact O-N 3.39Å; V554-H557 WeakPolarHBondContact O-CB 3.47Å; V554-H557 PolarHBondContact O-N 3.22Å; V554-H557 VanDerWaalsContact O-N 3.13Å; V554-L558 HydrophobicContact CG2-CD1 4.46Å; V554-L558 PolarHBondContact O-N 3.14Å |
| 555 | W | 89 | Confident | 86 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | -177.1 | 177.2 | 62.4 | 0 | 0 | 0 | 114.2 | F544 E552 H557 L558 L559 S592 F595 S596 L610 H613 L617 | F544-W555 HydrophobicContact CE1-CB 3.86Å; F544-W555 HydrophobicContact CE1-CG 4.41Å; F544-W555 AromaticContact CE2-CD1 3.85Å; F544-W555 HydrophobicContact CZ-CB 3.75Å; F544-W555 AromaticContact CZ-CD1 3.62Å; F544-W555 HydrophobicContact CZ-CG 4.07Å; E552-W555 WeakPolarHBondContact O-CB 3.28Å; E552-W555 PolarHBondContact O-N 3.13Å; W555-H557 VanDerWaalsContact C-N 3.26Å; W555-H557 PolarHBondContact O-N 2.9Å; W555-L558 PolarHBondContact O-N 2.76Å; W555-L559 HydrophobicContact CD2-CD1 4.15Å; W555-L559 HydrophobicContact CH2-CD1 4.31Å; W555-L559 HydrophobicContact CZ2-CD1 3.82Å; W555-L559 PolarHBondContact O-N 3.48Å; W555-S592 PolarHBondContact NE1-OG 3.06Å; W555-S592 VanDerWaalsContact NE1-OG 3.13Å; W555-F595 HydrophobicContact CD2-CD2 4.38Å; W555-F595 HydrophobicContact CG-CD2 4.45Å; W555-F595 HydrophobicContact CH2-CB 4.17Å; W555-F595 HydrophobicContact CZ2-CB 4.01Å; W555-S596 WeakPolarHBondContact CH2-OG 3.43Å; W555-L610 HydrophobicContact CH2-CD1 4.36Å; W555-L610 HydrophobicContact CZ3-CD1 3.79Å; W555-H613 HydrophobicContact CE3-CB 4.46Å; W555-H613 HydrophobicContact CH2-CB 3.9Å; W555-H613 HydrophobicContact CZ3-CB 3.72Å; W555-L617 HydrophobicContact CZ2-CD2 4.43Å |
| 556 | P | 89 | Confident | 85.8 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.6 | -39.6 | 173.5 | -32.4 | 39.9 | 0 | 0 | 0 | 114.5 | E552 S560 H613 | E552-P556 VanDerWaalsContact O-CD 3.27Å; E552-P556 WeakPolarHBondContact O-CD 3.43Å; P556-S560 PolarHBondContact O-N 3.21Å; P556-S560 VanDerWaalsContact O-N 3.12Å; P556-H613 VanDerWaalsContact CB-CE1 3.43Å; P556-H613 WeakPolarHBondContact CB-CE1 3.47Å; P556-H613 WeakPolarHBondContact CG-NE2 2.98Å |
| 557 | H | 91.6 | Very high | 85.6 | Confident | 60 Ų | 60 | 39.2 Ų | 39.2 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.8 | -41.5 | -177.9 | -58.1 | 80.6 | 0 | 0 | 0 | 110.1 | R522 I525 A553 V554 W555 S560 A561 | R522-H557 PolarHBondContact NE-CE1 3.12Å; R522-H557 PolarHBondContact NE-NE2 2.87Å; R522-H557 VanDerWaalsContact NE-NE2 3.15Å; I525-H557 HydrophobicContact CD1-CB 3.82Å; I525-H557 HydrophobicContact CG2-CB 4.42Å; A553-H557 PolarHBondContact O-ND1 3.11Å; V554-H557 WeakPolarHBondContact O-CB 3.47Å; V554-H557 PolarHBondContact O-N 3.22Å; V554-H557 VanDerWaalsContact O-N 3.13Å; W555-H557 VanDerWaalsContact C-N 3.26Å; W555-H557 PolarHBondContact O-N 2.9Å; H557-S560 PolarHBondContact O-N 3.1Å; H557-A561 PolarHBondContact O-N 2.95Å |
| 558 | L | 92.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 176.5 | -73.1 | 171.3 | 0 | 0 | 0 | 112.4 | I521 I525 L536 L537 L543 F544 V554 W555 S560 A561 V562 L588 | I521-L558 HydrophobicContact CG2-CD2 4.32Å; I521-L558 HydrophobicContact CG2-CG 4.41Å; I525-L558 HydrophobicContact CD1-CD2 3.73Å; I525-L558 HydrophobicContact CD1-CG 4.11Å; L536-L558 HydrophobicContact CD2-CD2 4.29Å; L537-L558 HydrophobicContact CD2-CD2 3.86Å; L543-L558 HydrophobicContact CD2-CD1 3.56Å; F544-L558 HydrophobicContact CE2-CD1 3.94Å; F544-L558 HydrophobicContact CZ-CD1 3.6Å; V554-L558 HydrophobicContact CG2-CD1 4.46Å; V554-L558 PolarHBondContact O-N 3.14Å; W555-L558 PolarHBondContact O-N 2.76Å; L558-S560 VanDerWaalsContact C-N 3.34Å; L558-S560 PolarHBondContact O-N 3.05Å; L558-A561 WeakPolarHBondContact O-CB 3.46Å; L558-A561 PolarHBondContact O-N 3.37Å; L558-V562 WeakPolarHBondContact O-CG2 3.42Å; L558-V562 PolarHBondContact O-N 3.26Å; L558-L588 HydrophobicContact CB-CD2 4.46Å; L558-L588 HydrophobicContact CD1-CD2 4.47Å |
| 559 | L | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 171.4 | -70.5 | 178.4 | 0 | 0 | 0 | 111.1 | W555 A561 V562 E563 L589 H613 L617 I620 | W555-L559 HydrophobicContact CD2-CD1 4.15Å; W555-L559 HydrophobicContact CH2-CD1 4.31Å; W555-L559 HydrophobicContact CZ2-CD1 3.82Å; W555-L559 PolarHBondContact O-N 3.48Å; L559-A561 VanDerWaalsContact C-N 3.28Å; L559-A561 PolarHBondContact O-N 3.38Å; L559-V562 PolarHBondContact O-N 3.33Å; L559-E563 WeakPolarHBondContact O-CB 3.27Å; L559-E563 PolarHBondContact O-N 3.04Å; L559-L589 HydrophobicContact CD2-CD2 3.54Å; L559-H613 HydrophobicContact CD1-CB 4.07Å; L559-L617 HydrophobicContact CD2-CB 4.38Å; L559-L617 HydrophobicContact CD2-CD1 3.98Å; L559-I620 HydrophobicContact CB-CD1 4.22Å; L559-I620 HydrophobicContact CD2-CD1 4.14Å; L559-I620 WeakPolarHBondContact O-CD1 3.47Å |
| 560 | S | 90.2 | Very high | 84.2 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | 175.9 | -171 | 0 | 0 | 0 | 0 | 112.6 | P556 H557 L558 K564 | P556-S560 PolarHBondContact O-N 3.21Å; P556-S560 VanDerWaalsContact O-N 3.12Å; H557-S560 PolarHBondContact O-N 3.1Å; L558-S560 VanDerWaalsContact C-N 3.34Å; L558-S560 PolarHBondContact O-N 3.05Å; S560-K564 WeakPolarHBondContact O-CB 3.31Å; S560-K564 VanDerWaalsContact O-CG 3.27Å; S560-K564 WeakPolarHBondContact O-CG 3.33Å; S560-K564 PolarHBondContact O-N 2.77Å; S560-K564 WeakPolarHBondContact OG-CE 3.5Å; S560-K564 PolarHBondContact OG-NZ 2.88Å |
| 561 | A | 91.7 | Very high | 83.9 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I525 V533 H557 L558 L559 E563 K564 L565 | I525-A561 HydrophobicContact CD1-CB 4.15Å; I525-A561 HydrophobicContact CG1-CB 3.98Å; I525-A561 HydrophobicContact CG2-CB 3.94Å; V533-A561 HydrophobicContact CG1-CB 4.24Å; H557-A561 PolarHBondContact O-N 2.95Å; L558-A561 WeakPolarHBondContact O-CB 3.46Å; L558-A561 PolarHBondContact O-N 3.37Å; L559-A561 VanDerWaalsContact C-N 3.28Å; L559-A561 PolarHBondContact O-N 3.38Å; A561-E563 VanDerWaalsContact C-N 3.35Å; A561-E563 PolarHBondContact O-N 3.41Å; A561-K564 PolarHBondContact O-N 2.82Å; A561-L565 VanDerWaalsContact O-CB 3.32Å; A561-L565 WeakPolarHBondContact O-CB 3.35Å; A561-L565 PolarHBondContact O-N 3.15Å |
| 562 | V | 91.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 177 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L537 L558 L559 L565 F566 C585 L588 L589 I620 | L537-V562 HydrophobicContact CD1-CG2 4.44Å; L537-V562 HydrophobicContact CD2-CG2 4.05Å; L558-V562 WeakPolarHBondContact O-CG2 3.42Å; L558-V562 PolarHBondContact O-N 3.26Å; L559-V562 PolarHBondContact O-N 3.33Å; V562-L565 PolarHBondContact O-N 3.37Å; V562-F566 HydrophobicContact CG1-CE2 4.33Å; V562-F566 WeakPolarHBondContact O-CD2 3.36Å; V562-C585 HydrophobicContact CG1-CB 4.02Å; V562-C585 HydrophobicContact CG2-CB 4.22Å; V562-L588 HydrophobicContact CG2-CD2 4.48Å; V562-L589 HydrophobicContact CG1-CD1 4.41Å; V562-I620 HydrophobicContact CG1-CG2 3.88Å |
| 563 | E | 88 | Confident | 82.9 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 178.2 | -173.3 | 178 | -169 | 0 | 0 | 112.3 | L559 A561 Q616 I620 | L559-E563 WeakPolarHBondContact O-CB 3.27Å; L559-E563 PolarHBondContact O-N 3.04Å; A561-E563 VanDerWaalsContact C-N 3.35Å; A561-E563 PolarHBondContact O-N 3.41Å; E563-Q616 PolarHBondContact OE2-NE2 2.91Å; E563-I620 HydrophobicContact CB-CD1 4.08Å; E563-I620 HydrophobicContact CB-CG1 4.07Å; E563-I620 HydrophobicContact CG-CG1 4.4Å |
| 564 | K | 85.2 | Confident | 82.3 | Confident | 121 Ų | 121 | 52.5 Ų | 52.5 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.6 | -29.8 | 179.1 | -72.9 | 170.6 | -179.8 | 167.5 | 0 | 113 | S560 A561 F566 S567 N570 | S560-K564 WeakPolarHBondContact O-CB 3.31Å; S560-K564 VanDerWaalsContact O-CG 3.27Å; S560-K564 WeakPolarHBondContact O-CG 3.33Å; S560-K564 PolarHBondContact O-N 2.77Å; S560-K564 WeakPolarHBondContact OG-CE 3.5Å; S560-K564 PolarHBondContact OG-NZ 2.88Å; A561-K564 PolarHBondContact O-N 2.82Å; K564-F566 VanDerWaalsContact C-N 3.3Å; K564-F566 PolarHBondContact O-N 3.17Å; K564-S567 WeakPolarHBondContact O-CB 3.48Å; K564-S567 PolarHBondContact O-N 2.88Å; K564-S567 PolarHBondContact O-OG 3.32Å; K564-S567 VanDerWaalsContact O-OG 3.1Å; K564-N570 PolarHBondContact O-ND2 2.97Å |
| 565 | L | 84 | Confident | 81.5 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | -174 | -175.1 | 71.7 | 0 | 0 | 0 | 112.4 | L537 A561 V562 N570 L574 M581 | L537-L565 HydrophobicContact CD1-CD2 3.79Å; A561-L565 VanDerWaalsContact O-CB 3.32Å; A561-L565 WeakPolarHBondContact O-CB 3.35Å; A561-L565 PolarHBondContact O-N 3.15Å; V562-L565 PolarHBondContact O-N 3.37Å; L565-N570 VanDerWaalsContact O-CB 3.29Å; L565-N570 WeakPolarHBondContact O-CB 3.28Å; L565-L574 HydrophobicContact CD1-CD2 3.69Å; L565-L574 HydrophobicContact CD2-CD2 4.33Å; L565-L574 HydrophobicContact CG-CD2 3.87Å; L565-M581 HydrophobicContact CD2-CE 3.66Å |
| 566 | F | 81.8 | Confident | 80.7 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 10.3 | -176.1 | -60.7 | -69.4 | 0 | 0 | 0 | 114.1 | V562 K564 R571 E578 M581 R582 C585 M624 | V562-F566 HydrophobicContact CG1-CE2 4.33Å; V562-F566 WeakPolarHBondContact O-CD2 3.36Å; K564-F566 VanDerWaalsContact C-N 3.3Å; K564-F566 PolarHBondContact O-N 3.17Å; F566-R571 PolarHBondContact O-NE 3.24Å; F566-R571 PolarHBondContact O-NH2 3.17Å; F566-E578 HydrophobicContact CD1-CG 4.42Å; F566-E578 HydrophobicContact CE1-CG 4.32Å; F566-M581 HydrophobicContact CE1-CB 4.19Å; F566-M581 HydrophobicContact CZ-CB 4.24Å; F566-R582 HydrophobicContact CD1-CG 4.09Å; F566-R582 HydrophobicContact CE1-CB 4.45Å; F566-R582 HydrophobicContact CE1-CG 3.35Å; F566-R582 HydrophobicContact CE2-CG 4.29Å; F566-R582 HydrophobicContact CZ-CB 4.21Å; F566-R582 HydrophobicContact CZ-CG 3.47Å; F566-R582 VanDerWaalsContact CZ-CG 3.47Å; F566-C585 HydrophobicContact CE2-CB 4.23Å; F566-C585 HydrophobicContact CZ-CB 4.5Å; F566-M624 HydrophobicContact CE2-CE 4.1Å; F566-M624 HydrophobicContact CZ-CE 4.48Å |
| 567 | S | 77.3 | Confident | 80.2 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -62 | 151.3 | 173.1 | 72.9 | 0 | 0 | 0 | 0 | 111.6 | K564 T569 N570 R571 | K564-S567 WeakPolarHBondContact O-CB 3.48Å; K564-S567 PolarHBondContact O-N 2.88Å; K564-S567 PolarHBondContact O-OG 3.32Å; K564-S567 VanDerWaalsContact O-OG 3.1Å; S567-T569 PolarHBondContact O-N 3.48Å; S567-T569 VanDerWaalsContact O-N 3.08Å; S567-T569 PolarHBondContact OG-OG1 3.25Å; S567-N570 PolarHBondContact O-N 2.84Å; S567-N570 PolarHBondContact OG-ND2 3.3Å; S567-R571 PolarHBondContact O-N 2.78Å |
| 568 | E | 69.1 | Low | 79.8 | Confident | 167 Ų | 167 | 58.5 Ų | 58.5 | 78% | 0.78 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -53.5 | -33.8 | -179.2 | -68.1 | -176.2 | 167 | 0 | 0 | 113.2 | N570 | E568-N570 VanDerWaalsContact C-N 3.32Å; E568-N570 PolarHBondContact O-N 3.31Å |
| 569 | T | 70 | Confident | 79.4 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.7 | -32.6 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | S567 | S567-T569 PolarHBondContact O-N 3.48Å; S567-T569 VanDerWaalsContact O-N 3.08Å; S567-T569 PolarHBondContact OG-OG1 3.25Å |
| 570 | N | 70.2 | Confident | 79.1 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -96.3 | -21.5 | -170.1 | -69.7 | -12.9 | 0 | 0 | 0 | 113.1 | K564 L565 S567 E568 N572 Q573 L574 | K564-N570 PolarHBondContact O-ND2 2.97Å; L565-N570 VanDerWaalsContact O-CB 3.29Å; L565-N570 WeakPolarHBondContact O-CB 3.28Å; S567-N570 PolarHBondContact O-N 2.84Å; S567-N570 PolarHBondContact OG-ND2 3.3Å; E568-N570 VanDerWaalsContact C-N 3.32Å; E568-N570 PolarHBondContact O-N 3.31Å; N570-N572 PolarHBondContact O-N 2.85Å; N570-N572 VanDerWaalsContact O-N 3.16Å; N570-Q573 PolarHBondContact O-N 2.87Å; N570-L574 PolarHBondContact O-N 2.79Å |
| 571 | R | 73.5 | Confident | 79 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.1 | -37.6 | -179 | -72.9 | -176.4 | -169.5 | 178.7 | 0.6 | 113.6 | F566 S567 Q573 E578 E627 | F566-R571 PolarHBondContact O-NE 3.24Å; F566-R571 PolarHBondContact O-NH2 3.17Å; S567-R571 PolarHBondContact O-N 2.78Å; R571-Q573 VanDerWaalsContact C-N 3.27Å; R571-Q573 PolarHBondContact O-N 3.32Å; R571-E578 IonicContact NE-OE1 3Å; R571-E627 IonicContact CZ-OE1 3.66Å; R571-E627 IonicContact CZ-OE2 2.63Å; R571-E627 IonicContact NH2-OE1 3.2Å; R571-E627 PolarHBondContact NH2-OE1 2.79Å; R571-E627 IonicContact NH2-OE2 4Å; R571-E627 PolarHBondContact NH2-OE2 2.81Å |
| 572 | N | 69.5 | Low | 78.9 | Confident | 157 Ų | 157 | 60.9 Ų | 60.9 | 84% | 0.84 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10 | 179.4 | -66.1 | -25.8 | 0 | 0 | 0 | 113.9 | N570 | N570-N572 PolarHBondContact O-N 2.85Å; N570-N572 VanDerWaalsContact O-N 3.16Å |
| 573 | Q | 71.9 | Confident | 78.9 | Confident | 113 Ų | 113 | 63.5 Ų | 63.5 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 3.8 | -177.3 | -57.8 | -173.5 | 19.6 | 0 | 0 | 112.9 | P530 N570 R571 M575 | P530-Q573 HydrophobicContact CB-CB 4.2Å; P530-Q573 HydrophobicContact CG-CB 4.33Å; N570-Q573 PolarHBondContact O-N 2.87Å; R571-Q573 VanDerWaalsContact C-N 3.27Å; R571-Q573 PolarHBondContact O-N 3.32Å; Q573-M575 PolarHBondContact O-N 2.94Å |
| 574 | L | 72.1 | Confident | 79 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | trans | -65.7 | 126 | 176.9 | -66.3 | 171.3 | 0 | 0 | 0 | 110.6 | L565 N570 E578 M581 | L565-L574 HydrophobicContact CD1-CD2 3.69Å; L565-L574 HydrophobicContact CD2-CD2 4.33Å; L565-L574 HydrophobicContact CG-CD2 3.87Å; N570-L574 PolarHBondContact O-N 2.79Å; L574-E578 HydrophobicContact CD1-CB 4.18Å; L574-E578 HydrophobicContact CD1-CG 4.05Å; L574-M581 HydrophobicContact CD2-CG 4.39Å | ||
| 575 | M | 72 | Confident | 79.3 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -75 | -26.2 | 179.6 | -69.2 | -63.8 | -64.6 | 0 | 0 | 112.9 | Q411 L414 K415 L418 M531 Q573 | Q411-M575 HydrophobicContact CB-CE 4.08Å; Q411-M575 HydrophobicContact CG-CE 4.02Å; L414-M575 HydrophobicContact CD2-CE 4.32Å; K415-M575 WeakPolarHBondContact CG-O 2.93Å; L418-M575 HydrophobicContact CD1-CB 3.6Å; M531-M575 HydrophobicContact CB-CG 4.3Å; M531-M575 HydrophobicContact CE-CE 4.13Å; M531-M575 HydrophobicContact CG-CG 4.02Å; M531-M575 HydrophobicContact CG-SD 4.4Å; Q573-M575 PolarHBondContact O-N 2.94Å |
| 576 | A | 72.7 | Confident | 79.8 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -110.5 | 163.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L418 E578 M581 | L418-A576 HydrophobicContact CB-CB 4.06Å; A576-E578 PolarHBondContact O-N 2.86Å; A576-M581 HydrophobicContact CB-CG 3.95Å; A576-M581 HydrophobicContact CB-SD 3.8Å |
| 577 | K | 78.2 | Confident | 80.2 | Confident | 142 Ų | 142 | 54.9 Ų | 54.9 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | trans | -57 | 132.6 | 173.1 | -172.4 | -176.6 | 175.9 | -160.4 | 0 | 108.7 | S579 C580 M581 | K577-S579 VanDerWaalsContact CD-OG 3.28Å; K577-S579 WeakPolarHBondContact CD-OG 3.45Å; K577-S579 VanDerWaalsContact CE-OG 3.3Å; K577-S579 WeakPolarHBondContact CE-OG 3.28Å; K577-S579 PolarHBondContact NZ-OG 2.63Å; K577-S579 PolarHBondContact O-N 3.23Å; K577-S579 VanDerWaalsContact O-N 3.13Å; K577-C580 WeakPolarHBondContact O-CA 3.09Å; K577-C580 WeakPolarHBondContact O-CB 3.34Å; K577-C580 PolarHBondContact O-N 3.03Å; K577-M581 PolarHBondContact O-N 3.01Å; K577-M581 VanDerWaalsContact O-N 3.15Å | ||
| 578 | E | 84.3 | Confident | 80.9 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -52.4 | -39.9 | -176 | -172.4 | 173.3 | -172.1 | 0 | 0 | 112.8 | F566 R571 L574 A576 C580 M581 R582 | F566-E578 HydrophobicContact CD1-CG 4.42Å; F566-E578 HydrophobicContact CE1-CG 4.32Å; R571-E578 IonicContact NE-OE1 3Å; L574-E578 HydrophobicContact CD1-CB 4.18Å; L574-E578 HydrophobicContact CD1-CG 4.05Å; A576-E578 PolarHBondContact O-N 2.86Å; E578-C580 VanDerWaalsContact C-N 3.32Å; E578-C580 PolarHBondContact O-N 3.26Å; E578-M581 PolarHBondContact O-N 3.5Å; E578-R582 WeakPolarHBondContact O-CG 3.02Å; E578-R582 PolarHBondContact O-N 3.46Å; E578-R582 IonicContact OE1-CZ 3.01Å; E578-R582 IonicContact OE1-NE 3.99Å; E578-R582 PolarHBondContact OE1-NE 3.49Å; E578-R582 IonicContact OE1-NH2 3.64Å; E578-R582 PolarHBondContact OE1-NH2 3.2Å; E578-R582 IonicContact OE2-NH2 3.81Å |
| 579 | S | 83.7 | Confident | 82 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 175.3 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | K577 H583 N633 | K577-S579 VanDerWaalsContact CD-OG 3.28Å; K577-S579 WeakPolarHBondContact CD-OG 3.45Å; K577-S579 VanDerWaalsContact CE-OG 3.3Å; K577-S579 WeakPolarHBondContact CE-OG 3.28Å; K577-S579 PolarHBondContact NZ-OG 2.63Å; K577-S579 PolarHBondContact O-N 3.23Å; K577-S579 VanDerWaalsContact O-N 3.13Å; S579-H583 WeakPolarHBondContact O-CB 3.23Å; S579-H583 PolarHBondContact O-N 2.89Å; S579-N633 PolarHBondContact O-ND2 3.08Å |
| 580 | C | 83.9 | Confident | 83.1 | Confident | 53 Ų | 53 | 40.2 Ų | 40.2 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.2 | -39.4 | 176.7 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | K577 E578 H583 A584 | K577-C580 WeakPolarHBondContact O-CA 3.09Å; K577-C580 WeakPolarHBondContact O-CB 3.34Å; K577-C580 PolarHBondContact O-N 3.03Å; E578-C580 VanDerWaalsContact C-N 3.32Å; E578-C580 PolarHBondContact O-N 3.26Å; C580-H583 PolarHBondContact O-N 3.37Å; C580-A584 PolarHBondContact O-N 3.33Å |
| 581 | M | 88 | Confident | 83.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.5 | -69.7 | -55.3 | -59.4 | 0 | 0 | 111.6 | V538 L565 F566 L574 A576 K577 E578 H583 A584 C585 | V538-M581 HydrophobicContact CG2-CE 3.9Å; V538-M581 HydrophobicContact CG2-SD 3.49Å; V538-M581 WeakPolarHBondContact CG2-SD 3.46Å; L565-M581 HydrophobicContact CD2-CE 3.66Å; F566-M581 HydrophobicContact CE1-CB 4.19Å; F566-M581 HydrophobicContact CZ-CB 4.24Å; L574-M581 HydrophobicContact CD2-CG 4.39Å; A576-M581 HydrophobicContact CB-CG 3.95Å; A576-M581 HydrophobicContact CB-SD 3.8Å; K577-M581 PolarHBondContact O-N 3.01Å; K577-M581 VanDerWaalsContact O-N 3.15Å; E578-M581 PolarHBondContact O-N 3.5Å; M581-H583 VanDerWaalsContact C-N 3.33Å; M581-H583 PolarHBondContact O-N 3.18Å; M581-A584 PolarHBondContact O-N 3.41Å; M581-C585 PolarHBondContact O-N 3.07Å; M581-C585 PolarHBondContact O-SG 3.49Å |
| 582 | R | 90.2 | Very high | 84.5 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.8 | -70.6 | 179.2 | -169.1 | 165.7 | -6 | 111.5 | F566 E578 A584 C585 L586 M624 E627 E628 | F566-R582 HydrophobicContact CD1-CG 4.09Å; F566-R582 HydrophobicContact CE1-CB 4.45Å; F566-R582 HydrophobicContact CE1-CG 3.35Å; F566-R582 HydrophobicContact CE2-CG 4.29Å; F566-R582 HydrophobicContact CZ-CB 4.21Å; F566-R582 HydrophobicContact CZ-CG 3.47Å; F566-R582 VanDerWaalsContact CZ-CG 3.47Å; E578-R582 WeakPolarHBondContact O-CG 3.02Å; E578-R582 PolarHBondContact O-N 3.46Å; E578-R582 IonicContact OE1-CZ 3.01Å; E578-R582 IonicContact OE1-NE 3.99Å; E578-R582 PolarHBondContact OE1-NE 3.49Å; E578-R582 IonicContact OE1-NH2 3.64Å; E578-R582 PolarHBondContact OE1-NH2 3.2Å; E578-R582 IonicContact OE2-NH2 3.81Å; R582-A584 PolarHBondContact O-N 3.36Å; R582-C585 PolarHBondContact O-N 2.97Å; R582-L586 WeakPolarHBondContact O-CB 3.19Å; R582-L586 VanDerWaalsContact O-CG 3.31Å; R582-L586 WeakPolarHBondContact O-CG 3.3Å; R582-L586 PolarHBondContact O-N 3.03Å; R582-M624 HydrophobicContact CB-CE 3.87Å; R582-M624 HydrophobicContact CG-CE 3.99Å; R582-E627 PolarHBondContact NH1-O 3.47Å; R582-E627 PolarHBondContact NH2-O 3.22Å; R582-E628 VanDerWaalsContact CB-OE2 3.31Å; R582-E628 WeakPolarHBondContact CB-OE2 3.44Å; R582-E628 WeakPolarHBondContact CD-OE2 3.48Å; R582-E628 IonicContact NH1-OE1 3.94Å; R582-E628 PolarHBondContact NH1-OE1 3.3Å; R582-E628 IonicContact NH1-OE2 3.36Å |
| 583 | H | 91 | Very high | 85.4 | Confident | 57 Ų | 57 | 27.2 Ų | 27.2 | 26% | 0.264 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.9 | -165.4 | 84.6 | 0 | 0 | 0 | 112 | S579 C580 M581 C585 L586 R587 N633 | S579-H583 WeakPolarHBondContact O-CB 3.23Å; S579-H583 PolarHBondContact O-N 2.89Å; C580-H583 PolarHBondContact O-N 3.37Å; M581-H583 VanDerWaalsContact C-N 3.33Å; M581-H583 PolarHBondContact O-N 3.18Å; H583-C585 PolarHBondContact O-N 3.41Å; H583-L586 PolarHBondContact O-N 2.62Å; H583-R587 PolarHBondContact NE2-NE 3.24Å; H583-R587 WeakPolarHBondContact O-CB 3.23Å; H583-R587 WeakPolarHBondContact O-CG 3.49Å; H583-R587 PolarHBondContact O-N 2.93Å; H583-N633 WeakPolarHBondContact CB-OD1 3.37Å; H583-N633 PolarHBondContact ND1-OD1 2.94Å |
| 584 | A | 90.3 | Very high | 85.9 | Confident | 10 Ų | 10 | 21.8 Ų | 21.8 | 8% | 0.083 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V538 T541 C580 M581 R582 R587 L588 | V538-A584 HydrophobicContact CG2-CB 4.11Å; T541-A584 HydrophobicContact CG2-CB 4.04Å; T541-A584 WeakPolarHBondContact CG2-O 3.35Å; C580-A584 PolarHBondContact O-N 3.33Å; M581-A584 PolarHBondContact O-N 3.41Å; R582-A584 PolarHBondContact O-N 3.36Å; A584-R587 PolarHBondContact O-N 3.45Å; A584-L588 PolarHBondContact O-N 2.94Å |
| 585 | C | 92.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | V562 F566 M581 R582 H583 R587 L588 L589 M624 | V562-C585 HydrophobicContact CG1-CB 4.02Å; V562-C585 HydrophobicContact CG2-CB 4.22Å; F566-C585 HydrophobicContact CE2-CB 4.23Å; F566-C585 HydrophobicContact CZ-CB 4.5Å; M581-C585 PolarHBondContact O-N 3.07Å; M581-C585 PolarHBondContact O-SG 3.49Å; R582-C585 PolarHBondContact O-N 2.97Å; H583-C585 PolarHBondContact O-N 3.41Å; C585-R587 VanDerWaalsContact C-N 3.32Å; C585-R587 PolarHBondContact O-N 3.38Å; C585-L588 WeakPolarHBondContact O-CB 2.98Å; C585-L588 PolarHBondContact O-N 3.34Å; C585-L589 WeakPolarHBondContact O-CB 3.45Å; C585-L589 VanDerWaalsContact O-CG 3.26Å; C585-L589 WeakPolarHBondContact O-CG 3.38Å; C585-L589 PolarHBondContact O-N 3.49Å; C585-M624 HydrophobicContact CB-CE 4.15Å |
| 586 | L | 93.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | 176.7 | -68.8 | 168.9 | 0 | 0 | 0 | 111.8 | R582 H583 L589 S590 L621 M624 N633 L636 C637 L640 | R582-L586 WeakPolarHBondContact O-CB 3.19Å; R582-L586 VanDerWaalsContact O-CG 3.31Å; R582-L586 WeakPolarHBondContact O-CG 3.3Å; R582-L586 PolarHBondContact O-N 3.03Å; H583-L586 PolarHBondContact O-N 2.62Å; L586-L589 PolarHBondContact O-N 3.38Å; L586-S590 PolarHBondContact O-N 3.31Å; L586-L621 HydrophobicContact CD2-CD2 4.5Å; L586-M624 HydrophobicContact CD1-CE 4.4Å; L586-M624 HydrophobicContact CD2-CE 3.91Å; L586-M624 HydrophobicContact CD2-SD 3.79Å; L586-M624 HydrophobicContact CG-CE 3.75Å; L586-M624 HydrophobicContact CG-SD 4.28Å; L586-N633 HydrophobicContact CD1-CB 3.92Å; L586-N633 WeakPolarHBondContact CD1-O 3.36Å; L586-L636 HydrophobicContact CB-CD2 3.54Å; L586-L636 HydrophobicContact CB-CG 4.06Å; L586-L636 HydrophobicContact CD1-CB 4.49Å; L586-L636 HydrophobicContact CD1-CD2 4.24Å; L586-L636 HydrophobicContact CD1-CG 4.42Å; L586-C637 HydrophobicContact CD1-CB 4.34Å; L586-C637 HydrophobicContact CD2-CB 4.07Å; L586-L640 HydrophobicContact CB-CD1 4.14Å; L586-L640 HydrophobicContact CD2-CD1 3.94Å; L586-L640 WeakPolarHBondContact O-CD1 3.46Å |
| 587 | R | 90.9 | Very high | 86.5 | Confident | 46 Ų | 46 | 20.4 Ų | 20.4 | 17% | 0.174 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 173.9 | -75.8 | -70.9 | -160.1 | 113.6 | 17.8 | 112 | E424 T541 H583 A584 C585 L589 S590 D1286 | E424-R587 IonicContact OE1-CZ 3.45Å; E424-R587 IonicContact OE1-NH1 2.99Å; E424-R587 PolarHBondContact OE1-NH1 3.49Å; E424-R587 IonicContact OE1-NH2 3.93Å; E424-R587 PolarHBondContact OE1-NH2 2.66Å; T541-R587 HydrophobicContact CG2-CB 4.28Å; H583-R587 PolarHBondContact NE2-NE 3.24Å; H583-R587 WeakPolarHBondContact O-CB 3.23Å; H583-R587 WeakPolarHBondContact O-CG 3.49Å; H583-R587 PolarHBondContact O-N 2.93Å; A584-R587 PolarHBondContact O-N 3.45Å; C585-R587 VanDerWaalsContact C-N 3.32Å; C585-R587 PolarHBondContact O-N 3.38Å; R587-L589 VanDerWaalsContact C-N 3.34Å; R587-L589 PolarHBondContact O-N 3.14Å; R587-S590 WeakPolarHBondContact O-CB 3.41Å; R587-S590 PolarHBondContact O-N 3.33Å; R587-S590 PolarHBondContact O-OG 3.13Å; R587-D1286 IonicContact CZ-OD2 2.73Å; R587-D1286 IonicContact NH1-OD2 2.67Å; R587-D1286 PolarHBondContact NH1-OD2 2.61Å |
| 588 | L | 91.7 | Very high | 86 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58 | -47.8 | 173.1 | 178.2 | 69.9 | 0 | 0 | 0 | 111.1 | L537 S540 F544 L558 V562 A584 C585 S590 | L537-L588 HydrophobicContact CD2-CD2 3.77Å; S540-L588 WeakPolarHBondContact O-CD1 3.43Å; F544-L588 HydrophobicContact CD2-CD1 3.83Å; F544-L588 HydrophobicContact CD2-CG 4.4Å; F544-L588 HydrophobicContact CE2-CD1 3.79Å; F544-L588 HydrophobicContact CE2-CG 4.18Å; L558-L588 HydrophobicContact CB-CD2 4.46Å; L558-L588 HydrophobicContact CD1-CD2 4.47Å; V562-L588 HydrophobicContact CG2-CD2 4.48Å; A584-L588 PolarHBondContact O-N 2.94Å; C585-L588 WeakPolarHBondContact O-CB 2.98Å; C585-L588 PolarHBondContact O-N 3.34Å; L588-S590 VanDerWaalsContact C-N 3.31Å; L588-S590 PolarHBondContact O-N 3.35Å |
| 589 | L | 92.8 | Very high | 85 | Confident | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.2 | -30.2 | -178.6 | -67.3 | -180 | 0 | 0 | 0 | 112.7 | L559 V562 C585 L586 R587 A591 S592 V593 L617 I620 L621 M624 | L559-L589 HydrophobicContact CD2-CD2 3.54Å; V562-L589 HydrophobicContact CG1-CD1 4.41Å; C585-L589 WeakPolarHBondContact O-CB 3.45Å; C585-L589 VanDerWaalsContact O-CG 3.26Å; C585-L589 WeakPolarHBondContact O-CG 3.38Å; C585-L589 PolarHBondContact O-N 3.49Å; L586-L589 PolarHBondContact O-N 3.38Å; R587-L589 VanDerWaalsContact C-N 3.34Å; R587-L589 PolarHBondContact O-N 3.14Å; L589-A591 PolarHBondContact O-N 2.95Å; L589-S592 CarbonylContact O-C 3.58Å; L589-S592 PolarHBondContact O-N 2.9Å; L589-S592 PolarHBondContact O-OG 3.13Å; L589-V593 PolarHBondContact O-N 3.17Å; L589-L617 HydrophobicContact CD1-CD1 4.24Å; L589-L617 HydrophobicContact CD2-CD1 3.93Å; L589-L617 HydrophobicContact CG-CD1 4.49Å; L589-I620 HydrophobicContact CD1-CG2 3.94Å; L589-L621 HydrophobicContact CD1-CD2 4.39Å; L589-M624 HydrophobicContact CD1-SD 4.44Å |
| 590 | S | 92.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -54.4 | -38.3 | -179.3 | 72 | 0 | 0 | 0 | 0 | 113.9 | R545 L586 R587 L588 S592 L1288 | R545-S590 PolarHBondContact NH2-OG 2.97Å; L586-S590 PolarHBondContact O-N 3.31Å; R587-S590 WeakPolarHBondContact O-CB 3.41Å; R587-S590 PolarHBondContact O-N 3.33Å; R587-S590 PolarHBondContact O-OG 3.13Å; L588-S590 VanDerWaalsContact C-N 3.31Å; L588-S590 PolarHBondContact O-N 3.35Å; S590-S592 VanDerWaalsContact C-N 3.31Å; S590-S592 PolarHBondContact O-N 3.22Å; S590-L1288 WeakPolarHBondContact O-CD1 3.29Å |
| 591 | A | 87.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F544 R545 L589 F595 G1287 V1289 | F544-A591 HydrophobicContact CB-CB 3.78Å; R545-A591 HydrophobicContact CG-CB 3.49Å; R545-A591 VanDerWaalsContact CG-CB 3.49Å; L589-A591 PolarHBondContact O-N 2.95Å; A591-F595 WeakPolarHBondContact O-CE1 3.43Å; A591-G1287 WeakPolarHBondContact CA-O 3.31Å; A591-V1289 HydrophobicContact CB-CG2 4.01Å; A591-V1289 VanDerWaalsContact O-CB 3.29Å; A591-V1289 WeakPolarHBondContact O-CB 3.34Å |
| 592 | S | 86.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 0.3 | -177.4 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | W555 L589 S590 T594 F595 | W555-S592 PolarHBondContact NE1-OG 3.06Å; W555-S592 VanDerWaalsContact NE1-OG 3.13Å; L589-S592 CarbonylContact O-C 3.58Å; L589-S592 PolarHBondContact O-N 2.9Å; L589-S592 PolarHBondContact O-OG 3.13Å; S590-S592 VanDerWaalsContact C-N 3.31Å; S590-S592 PolarHBondContact O-N 3.22Å; S592-T594 PolarHBondContact O-N 2.99Å; S592-F595 VanDerWaalsContact O-CB 3.24Å; S592-F595 WeakPolarHBondContact O-CB 3.33Å; S592-F595 PolarHBondContact O-N 2.98Å |
| 593 | V | 88 | Confident | 78.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.2 | -168.1 | 75.3 | 0 | 0 | 0 | 0 | 113.3 | L589 L617 L621 L640 A643 Y644 L1288 | L589-V593 PolarHBondContact O-N 3.17Å; V593-L617 HydrophobicContact CG2-CD2 4.5Å; V593-L621 HydrophobicContact CG2-CD1 4.11Å; V593-L640 HydrophobicContact CB-CD2 4.26Å; V593-L640 HydrophobicContact CG1-CD2 4.24Å; V593-L640 HydrophobicContact CG2-CB 4.47Å; V593-L640 HydrophobicContact CG2-CD2 4.32Å; V593-L640 WeakPolarHBondContact CG2-O 3.48Å; V593-A643 HydrophobicContact CG1-CB 4.18Å; V593-Y644 WeakPolarHBondContact O-CD2 3.45Å; V593-L1288 HydrophobicContact CG1-CD1 3.33Å |
| 594 | T | 83 | Confident | 77.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 2.7 | 178.4 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | S592 S596 F597 C598 L1288 V1289 L1290 | S592-T594 PolarHBondContact O-N 2.99Å; T594-S596 PolarHBondContact O-N 3.37Å; T594-F597 PolarHBondContact O-N 3.38Å; T594-C598 PolarHBondContact O-N 2.65Å; T594-C598 VanDerWaalsContact O-N 3.13Å; T594-C598 PolarHBondContact O-SG 2.78Å; T594-C598 PolarHBondContact OG1-SG 2.96Å; T594-L1288 HydrophobicContact CG2-CD1 4.47Å; T594-V1289 PolarHBondContact OG1-O 3.31Å; T594-L1290 HydrophobicContact CG2-CD2 3.43Å; T594-L1290 VanDerWaalsContact CG2-CD2 3.43Å |
| 595 | F | 80.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -37.6 | -176.2 | -87.5 | 19.6 | 0 | 0 | 0 | 112.4 | F544 W555 A591 S592 F597 C598 F599 L1266 V1289 | F544-F595 HydrophobicContact CB-CE2 4.2Å; F544-F595 HydrophobicContact CB-CZ 3.98Å; F544-F595 AromaticContact CD1-CE2 3.84Å; F544-F595 HydrophobicContact CD1-CE2 3.84Å; F544-F595 HydrophobicContact CD1-CZ 4.4Å; F544-F595 HydrophobicContact CE1-CE2 4.48Å; F544-F595 HydrophobicContact CG-CE2 4.09Å; F544-F595 HydrophobicContact CG-CZ 4.38Å; W555-F595 HydrophobicContact CD2-CD2 4.38Å; W555-F595 HydrophobicContact CG-CD2 4.45Å; W555-F595 HydrophobicContact CH2-CB 4.17Å; W555-F595 HydrophobicContact CZ2-CB 4.01Å; A591-F595 WeakPolarHBondContact O-CE1 3.43Å; S592-F595 VanDerWaalsContact O-CB 3.24Å; S592-F595 WeakPolarHBondContact O-CB 3.33Å; S592-F595 PolarHBondContact O-N 2.98Å; F595-F597 PolarHBondContact O-N 3.31Å; F595-C598 PolarHBondContact O-N 2.96Å; F595-F599 HydrophobicContact CB-CD2 4.37Å; F595-F599 HydrophobicContact CB-CE2 3.56Å; F595-F599 HydrophobicContact CB-CZ 4.25Å; F595-F599 HydrophobicContact CD1-CE2 4.25Å; F595-F599 HydrophobicContact CD1-CZ 4.08Å; F595-F599 AromaticContact CD2-CE2 3.74Å; F595-F599 HydrophobicContact CD2-CE2 3.74Å; F595-F599 AromaticContact CD2-CZ 3.77Å; F595-F599 HydrophobicContact CD2-CZ 3.77Å; F595-F599 HydrophobicContact CE1-CZ 4.36Å; F595-F599 HydrophobicContact CE2-CE2 4.48Å; F595-F599 HydrophobicContact CE2-CZ 4.07Å; F595-F599 AromaticContact CG-CE2 3.59Å; F595-F599 HydrophobicContact CG-CE2 3.59Å; F595-F599 AromaticContact CG-CZ 3.78Å; F595-F599 HydrophobicContact CG-CZ 3.78Å; F595-F599 HydrophobicContact CZ-CZ 4.35Å; F595-F599 WeakPolarHBondContact O-CD2 3.35Å; F595-F599 WeakPolarHBondContact O-CE2 3.29Å; F595-L1266 HydrophobicContact CD1-CD1 4.45Å; F595-L1266 HydrophobicContact CE1-CD1 4.06Å; F595-V1289 HydrophobicContact CE1-CB 4.27Å; F595-V1289 HydrophobicContact CE1-CG1 4.19Å |
| 596 | S | 74.2 | Confident | 74.1 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.9 | -19.4 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 114.7 | W555 T594 A614 | W555-S596 WeakPolarHBondContact CH2-OG 3.43Å; T594-S596 PolarHBondContact O-N 3.37Å; S596-A614 WeakPolarHBondContact OG-CA 3.22Å; S596-A614 WeakPolarHBondContact OG-CB 3.37Å |
| 597 | F | 73.4 | Confident | 72.7 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -122.1 | -12.5 | -171.6 | -44.7 | -53.4 | 0 | 0 | 0 | 113.6 | T594 F595 Y644 L648 W651 | T594-F597 PolarHBondContact O-N 3.38Å; F595-F597 PolarHBondContact O-N 3.31Å; F597-Y644 AromaticContact CE2-CD2 3.85Å; F597-Y644 HydrophobicContact CE2-CD2 3.85Å; F597-Y644 AromaticContact CE2-CE2 3.78Å; F597-Y644 HydrophobicContact CE2-CE2 3.78Å; F597-Y644 WeakPolarHBondContact CE2-O 3.42Å; F597-Y644 HydrophobicContact CZ-CD2 4.1Å; F597-Y644 AromaticContact CZ-CE2 3.55Å; F597-Y644 HydrophobicContact CZ-CE2 3.55Å; F597-Y644 AromaticContact CZ-CZ 3.83Å; F597-L648 HydrophobicContact CD1-CD1 4.37Å; F597-L648 HydrophobicContact CE1-CB 4.04Å; F597-L648 HydrophobicContact CE1-CD1 3.48Å; F597-L648 VanDerWaalsContact CE1-CD1 3.48Å; F597-L648 HydrophobicContact CE1-CG 4.36Å; F597-L648 HydrophobicContact CE2-CB 4.02Å; F597-L648 HydrophobicContact CZ-CB 3.61Å; F597-L648 HydrophobicContact CZ-CD1 3.79Å; F597-L648 HydrophobicContact CZ-CG 4.24Å; F597-W651 HydrophobicContact CB-CB 4.05Å; F597-W651 HydrophobicContact CB-CG 4.15Å; F597-W651 HydrophobicContact CD1-CB 4.2Å; F597-W651 HydrophobicContact CD1-CD2 4.45Å; F597-W651 HydrophobicContact CD1-CG 4.16Å; F597-W651 HydrophobicContact CG-CB 4.3Å |
| 598 | C | 68.6 | Low | 71.5 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 10% | 0.101 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -97.1 | -19 | -171.7 | -68.3 | 0 | 0 | 0 | 0 | 114 | T594 F595 L1266 N1291 | T594-C598 PolarHBondContact O-N 2.65Å; T594-C598 VanDerWaalsContact O-N 3.13Å; T594-C598 PolarHBondContact O-SG 2.78Å; T594-C598 PolarHBondContact OG1-SG 2.96Å; F595-C598 PolarHBondContact O-N 2.96Å; C598-L1266 HydrophobicContact CB-CD1 4.28Å; C598-L1266 HydrophobicContact CB-CD2 3.74Å; C598-N1291 HydrophobicContact CB-CB 4.22Å; C598-N1291 PolarHBondContact SG-N 3.41Å |
| 599 | F | 63 | Low | 70.5 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -82.2 | 126.4 | 179 | -59.9 | -59.7 | 0 | 0 | 0 | 110.4 | E552 F595 L1266 | E552-F599 VanDerWaalsContact CD-CZ 3.5Å; E552-F599 HydrophobicContact CG-CE1 3.89Å; E552-F599 HydrophobicContact CG-CE2 3.84Å; E552-F599 HydrophobicContact CG-CZ 3.44Å; E552-F599 VanDerWaalsContact CG-CZ 3.44Å; E552-F599 WeakPolarHBondContact OE1-CE1 3.45Å; E552-F599 WeakPolarHBondContact OE1-CZ 3.37Å; F595-F599 HydrophobicContact CB-CD2 4.37Å; F595-F599 HydrophobicContact CB-CE2 3.56Å; F595-F599 HydrophobicContact CB-CZ 4.25Å; F595-F599 HydrophobicContact CD1-CE2 4.25Å; F595-F599 HydrophobicContact CD1-CZ 4.08Å; F595-F599 AromaticContact CD2-CE2 3.74Å; F595-F599 HydrophobicContact CD2-CE2 3.74Å; F595-F599 AromaticContact CD2-CZ 3.77Å; F595-F599 HydrophobicContact CD2-CZ 3.77Å; F595-F599 HydrophobicContact CE1-CZ 4.36Å; F595-F599 HydrophobicContact CE2-CE2 4.48Å; F595-F599 HydrophobicContact CE2-CZ 4.07Å; F595-F599 AromaticContact CG-CE2 3.59Å; F595-F599 HydrophobicContact CG-CE2 3.59Å; F595-F599 AromaticContact CG-CZ 3.78Å; F595-F599 HydrophobicContact CG-CZ 3.78Å; F595-F599 HydrophobicContact CZ-CZ 4.35Å; F595-F599 WeakPolarHBondContact O-CD2 3.35Å; F595-F599 WeakPolarHBondContact O-CE2 3.29Å; F599-L1266 HydrophobicContact CE1-CD1 4.05Å; F599-L1266 HydrophobicContact CZ-CD1 4.37Å |
| 600 | G | 52.4 | Low | 69.6 | Low | 63 Ų | 63 | 51.7 Ų | 51.7 | 65% | 0.649 | 29% | 0.288 | S | S | * | . | trans | -59.3 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P602 | G600-P602 WeakPolarHBondContact O-CD 3.19Å; G600-P602 WeakPolarHBondContact O-CG 3Å | ||
| 601 | D | 54.2 | Low | 68.5 | Low | 150 Ų | 150 | 54.2 Ų | 54.2 | 80% | 0.802 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -37.4 | 92.7 | -167.7 | -107.3 | -36.8 | 0 | 0 | 0 | 114.4 | K607 | D601-K607 IonicContact OD1-NZ 2.86Å; D601-K607 PolarHBondContact OD1-NZ 2.89Å |
| 602 | P | 55.6 | Low | 68.1 | Low | 29 Ų | 29 | 56 Ų | 56 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | trans | -71.7 | 156.4 | -178 | -9.7 | 22.5 | 0 | 0 | 0 | 109.5 | G600 E606 K607 L610 | G600-P602 WeakPolarHBondContact O-CD 3.19Å; G600-P602 WeakPolarHBondContact O-CG 3Å; P602-E606 HydrophobicContact CB-CB 3.68Å; P602-K607 HydrophobicContact CB-CG 3.78Å; P602-K607 VanDerWaalsContact CD-CE 3.44Å; P602-K607 HydrophobicContact CG-CG 3.82Å; P602-K607 VanDerWaalsContact O-CE 3.24Å; P602-K607 WeakPolarHBondContact O-CE 3.45Å; P602-L610 HydrophobicContact CG-CD2 4.19Å | ||
| 603 | S | 54.7 | Low | 67.9 | Low | 60 Ų | 60 | 58 Ų | 58 | 42% | 0.42 | 33% | 0.329 | S | S | . | . | trans | -59.1 | 155.1 | 168.2 | 67.3 | 0 | 0 | 0 | 0 | 110.4 | K605 E606 K607 | S603-K605 PolarHBondContact O-N 3.24Å; S603-E606 WeakPolarHBondContact CB-OE2 3.46Å; S603-E606 PolarHBondContact N-OE2 2.98Å; S603-E606 PolarHBondContact O-N 3.04Å; S603-E606 VanDerWaalsContact OG-CG 3.29Å; S603-E606 WeakPolarHBondContact OG-CG 3.36Å; S603-E606 PolarHBondContact OG-OE2 3.24Å; S603-K607 PolarHBondContact O-N 3.3Å | ||
| 604 | A | 54.3 | Low | 67.6 | Low | 80 Ų | 80 | 58.4 Ų | 58.4 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.8 | -30.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 605 | K | 55.8 | Low | 67.6 | Low | 169 Ų | 169 | 62 Ų | 62 | 74% | 0.735 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.3 | -47.3 | 173.4 | -76.7 | -173.1 | 176.4 | -177.5 | 0 | 112.1 | S603 K607 N608 E609 | S603-K605 PolarHBondContact O-N 3.24Å; K605-K607 VanDerWaalsContact C-N 3.28Å; K605-K607 PolarHBondContact O-N 3.23Å; K605-N608 PolarHBondContact O-N 3.24Å; K605-E609 PolarHBondContact O-N 3.28Å |
| 606 | E | 64.2 | Low | 68 | Low | 109 Ų | 109 | 63.7 Ų | 63.7 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.4 | -35.5 | 177.5 | -71.1 | 162.8 | 163 | 0 | 0 | 111.6 | P602 S603 N608 E609 L610 | P602-E606 HydrophobicContact CB-CB 3.68Å; S603-E606 WeakPolarHBondContact CB-OE2 3.46Å; S603-E606 PolarHBondContact N-OE2 2.98Å; S603-E606 PolarHBondContact O-N 3.04Å; S603-E606 VanDerWaalsContact OG-CG 3.29Å; S603-E606 WeakPolarHBondContact OG-CG 3.36Å; S603-E606 PolarHBondContact OG-OE2 3.24Å; E606-N608 PolarHBondContact O-N 3.4Å; E606-E609 PolarHBondContact O-N 3Å; E606-L610 WeakPolarHBondContact O-CB 3.47Å; E606-L610 PolarHBondContact O-N 2.92Å |
| 607 | K | 63.5 | Low | 68.7 | Low | 84 Ų | 84 | 63.3 Ų | 63.3 | 37% | 0.365 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.3 | -48.2 | 173.9 | -76.8 | -175.1 | 174 | 175.7 | 0 | 111.1 | D601 P602 S603 K605 L610 I611 | D601-K607 IonicContact OD1-NZ 2.86Å; D601-K607 PolarHBondContact OD1-NZ 2.89Å; P602-K607 HydrophobicContact CB-CG 3.78Å; P602-K607 VanDerWaalsContact CD-CE 3.44Å; P602-K607 HydrophobicContact CG-CG 3.82Å; P602-K607 VanDerWaalsContact O-CE 3.24Å; P602-K607 WeakPolarHBondContact O-CE 3.45Å; S603-K607 PolarHBondContact O-N 3.3Å; K605-K607 VanDerWaalsContact C-N 3.28Å; K605-K607 PolarHBondContact O-N 3.23Å; K607-L610 PolarHBondContact O-N 3.19Å; K607-I611 WeakPolarHBondContact O-CB 3.26Å; K607-I611 VanDerWaalsContact O-CD1 3.23Å; K607-I611 WeakPolarHBondContact O-CD1 3.4Å; K607-I611 WeakPolarHBondContact O-CG1 3.24Å; K607-I611 PolarHBondContact O-N 3.5Å |
| 608 | N | 66.1 | Low | 69.5 | Low | 100 Ų | 100 | 63.7 Ų | 63.7 | 54% | 0.535 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | -179.1 | -74.7 | -19.1 | 0 | 0 | 0 | 113 | K605 E606 G612 | K605-N608 PolarHBondContact O-N 3.24Å; E606-N608 PolarHBondContact O-N 3.4Å; N608-G612 PolarHBondContact O-N 3.5Å |
| 609 | E | 71.8 | Confident | 70.5 | Confident | 126 Ų | 126 | 65.7 Ų | 65.7 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 176.6 | -69.7 | 178.8 | -179.3 | 0 | 0 | 111.4 | K605 E606 I611 G612 H613 | K605-E609 PolarHBondContact O-N 3.28Å; E606-E609 PolarHBondContact O-N 3Å; E609-I611 VanDerWaalsContact C-N 3.28Å; E609-I611 PolarHBondContact O-N 3.34Å; E609-G612 WeakPolarHBondContact O-CA 3.14Å; E609-G612 PolarHBondContact O-N 3.28Å; E609-G612 VanDerWaalsContact O-N 3.07Å; E609-H613 PolarHBondContact O-CD2 2.96Å; E609-H613 PolarHBondContact O-N 3.36Å |
| 610 | L | 72.1 | Confident | 71.8 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60 | -39.5 | 177.8 | -171.1 | 63.4 | 0 | 0 | 0 | 111.9 | W555 P602 E606 K607 H613 A614 | W555-L610 HydrophobicContact CH2-CD1 4.36Å; W555-L610 HydrophobicContact CZ3-CD1 3.79Å; P602-L610 HydrophobicContact CG-CD2 4.19Å; E606-L610 WeakPolarHBondContact O-CB 3.47Å; E606-L610 PolarHBondContact O-N 2.92Å; K607-L610 PolarHBondContact O-N 3.19Å; L610-H613 PolarHBondContact O-N 2.94Å; L610-A614 WeakPolarHBondContact O-CB 3.34Å; L610-A614 PolarHBondContact O-N 3.4Å |
| 611 | I | 70.4 | Confident | 73.7 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.2 | -67.8 | 160.5 | 0 | 0 | 0 | 110.9 | K607 E609 H613 A614 C615 P659 | K607-I611 WeakPolarHBondContact O-CB 3.26Å; K607-I611 VanDerWaalsContact O-CD1 3.23Å; K607-I611 WeakPolarHBondContact O-CD1 3.4Å; K607-I611 WeakPolarHBondContact O-CG1 3.24Å; K607-I611 PolarHBondContact O-N 3.5Å; E609-I611 VanDerWaalsContact C-N 3.28Å; E609-I611 PolarHBondContact O-N 3.34Å; I611-H613 VanDerWaalsContact C-N 3.3Å; I611-H613 PolarHBondContact O-N 3.45Å; I611-A614 WeakPolarHBondContact O-CB 3.47Å; I611-A614 PolarHBondContact O-N 2.86Å; I611-A614 VanDerWaalsContact O-N 3.16Å; I611-C615 PolarHBondContact O-N 2.79Å; I611-C615 PolarHBondContact O-SG 3Å; I611-C615 VanDerWaalsContact O-SG 3.39Å; I611-P659 HydrophobicContact CD1-CG 3.68Å |
| 612 | G | 77.9 | Confident | 75.5 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.4 | -44.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N608 E609 C615 Q616 | N608-G612 PolarHBondContact O-N 3.5Å; E609-G612 WeakPolarHBondContact O-CA 3.14Å; E609-G612 PolarHBondContact O-N 3.28Å; E609-G612 VanDerWaalsContact O-N 3.07Å; G612-C615 PolarHBondContact O-N 3.02Å; G612-Q616 PolarHBondContact O-N 3.33Å |
| 613 | H | 83.3 | Confident | 77.1 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.2 | -33.4 | 175.9 | -63 | -45 | 0 | 0 | 0 | 113.3 | W555 P556 L559 E609 L610 I611 Q616 L617 | W555-H613 HydrophobicContact CE3-CB 4.46Å; W555-H613 HydrophobicContact CH2-CB 3.9Å; W555-H613 HydrophobicContact CZ3-CB 3.72Å; P556-H613 VanDerWaalsContact CB-CE1 3.43Å; P556-H613 WeakPolarHBondContact CB-CE1 3.47Å; P556-H613 WeakPolarHBondContact CG-NE2 2.98Å; L559-H613 HydrophobicContact CD1-CB 4.07Å; E609-H613 PolarHBondContact O-CD2 2.96Å; E609-H613 PolarHBondContact O-N 3.36Å; L610-H613 PolarHBondContact O-N 2.94Å; I611-H613 VanDerWaalsContact C-N 3.3Å; I611-H613 PolarHBondContact O-N 3.45Å; H613-Q616 PolarHBondContact ND1-OE1 3.16Å; H613-Q616 PolarHBondContact O-N 3.1Å; H613-L617 WeakPolarHBondContact O-CB 3.44Å; H613-L617 PolarHBondContact O-N 3.4Å |
| 614 | A | 82.1 | Confident | 78.8 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S596 L610 I611 Q616 L617 H618 Y644 | S596-A614 WeakPolarHBondContact OG-CA 3.22Å; S596-A614 WeakPolarHBondContact OG-CB 3.37Å; L610-A614 WeakPolarHBondContact O-CB 3.34Å; L610-A614 PolarHBondContact O-N 3.4Å; I611-A614 WeakPolarHBondContact O-CB 3.47Å; I611-A614 PolarHBondContact O-N 2.86Å; I611-A614 VanDerWaalsContact O-N 3.16Å; A614-Q616 VanDerWaalsContact C-N 3.33Å; A614-Q616 PolarHBondContact O-N 3.35Å; A614-L617 PolarHBondContact O-N 3.4Å; A614-H618 PolarHBondContact O-N 3.39Å; A614-Y644 PolarHBondContact O-OH 3.18Å; A614-Y644 VanDerWaalsContact O-OH 3.08Å |
| 615 | C | 82.5 | Confident | 80.5 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 51% | 0.507 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.7 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | I611 G612 H618 S619 | I611-C615 PolarHBondContact O-N 2.79Å; I611-C615 PolarHBondContact O-SG 3Å; I611-C615 VanDerWaalsContact O-SG 3.39Å; G612-C615 PolarHBondContact O-N 3.02Å; C615-H618 PolarHBondContact O-N 2.81Å; C615-S619 PolarHBondContact O-N 3.31Å |
| 616 | Q | 87.7 | Confident | 82 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.6 | -171.5 | -178.1 | 11.8 | 0 | 0 | 111.5 | E563 G612 H613 A614 H618 S619 I620 | E563-Q616 PolarHBondContact OE2-NE2 2.91Å; G612-Q616 PolarHBondContact O-N 3.33Å; H613-Q616 PolarHBondContact ND1-OE1 3.16Å; H613-Q616 PolarHBondContact O-N 3.1Å; A614-Q616 VanDerWaalsContact C-N 3.33Å; A614-Q616 PolarHBondContact O-N 3.35Å; Q616-H618 PolarHBondContact O-N 3.48Å; Q616-S619 WeakPolarHBondContact O-CB 3.45Å; Q616-S619 PolarHBondContact O-N 3Å; Q616-I620 HydrophobicContact CG-CD1 4.13Å; Q616-I620 VanDerWaalsContact O-CG1 3.31Å; Q616-I620 WeakPolarHBondContact O-CG1 3.37Å; Q616-I620 PolarHBondContact O-N 2.68Å |
| 617 | L | 90.3 | Very high | 83 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.8 | 174.2 | 63.4 | 0 | 0 | 0 | 111.6 | W555 L559 L589 V593 H613 A614 S619 I620 L621 Y644 | W555-L617 HydrophobicContact CZ2-CD2 4.43Å; L559-L617 HydrophobicContact CD2-CB 4.38Å; L559-L617 HydrophobicContact CD2-CD1 3.98Å; L589-L617 HydrophobicContact CD1-CD1 4.24Å; L589-L617 HydrophobicContact CD2-CD1 3.93Å; L589-L617 HydrophobicContact CG-CD1 4.49Å; V593-L617 HydrophobicContact CG2-CD2 4.5Å; H613-L617 WeakPolarHBondContact O-CB 3.44Å; H613-L617 PolarHBondContact O-N 3.4Å; A614-L617 PolarHBondContact O-N 3.4Å; L617-S619 VanDerWaalsContact C-N 3.34Å; L617-S619 PolarHBondContact O-N 3.04Å; L617-I620 PolarHBondContact O-N 2.93Å; L617-L621 HydrophobicContact CD1-CD1 4.29Å; L617-L621 HydrophobicContact CD1-CG 4.26Å; L617-L621 HydrophobicContact CG-CD1 4.28Å; L617-L621 WeakPolarHBondContact O-CG 3.48Å; L617-L621 PolarHBondContact O-N 3.41Å; L617-Y644 HydrophobicContact CD2-CD2 3.88Å; L617-Y644 HydrophobicContact CD2-CE2 4.09Å; L617-Y644 HydrophobicContact CG-CD2 4.38Å; L617-Y644 HydrophobicContact CG-CE2 4.49Å |
| 618 | H | 89.3 | Confident | 84.2 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.116 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 175.4 | -179.1 | 72 | 0 | 0 | 0 | 111.5 | A614 C615 Q616 I620 L621 C622 Y644 T667 | A614-H618 PolarHBondContact O-N 3.39Å; C615-H618 PolarHBondContact O-N 2.81Å; Q616-H618 PolarHBondContact O-N 3.48Å; H618-I620 VanDerWaalsContact C-N 3.34Å; H618-I620 PolarHBondContact O-N 3.05Å; H618-L621 PolarHBondContact O-N 3.43Å; H618-C622 VanDerWaalsContact CE1-SG 3.52Å; H618-C622 PolarHBondContact NE2-SG 2.72Å; H618-C622 WeakPolarHBondContact O-CB 3.27Å; H618-C622 PolarHBondContact O-N 2.86Å; H618-C622 PolarHBondContact O-SG 2.84Å; H618-Y644 HydrophobicContact CB-CD1 4.47Å; H618-Y644 HydrophobicContact CB-CE1 3.71Å; H618-Y644 AromaticContact CG-CE1 3.91Å; H618-Y644 AromaticContact ND1-CD1 3.84Å; H618-Y644 AromaticContact ND1-CE1 3.54Å; H618-T667 HydrophobicContact CB-CG2 4.49Å; H618-T667 VanDerWaalsContact CE1-CG2 3.42Å; H618-T667 WeakPolarHBondContact CE1-CG2 3.48Å; H618-T667 PolarHBondContact CE1-O 3.24Å; H618-T667 WeakPolarHBondContact ND1-CG2 3.48Å |
| 619 | S | 88.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.8 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | C615 Q616 L617 C622 T623 | C615-S619 PolarHBondContact O-N 3.31Å; Q616-S619 WeakPolarHBondContact O-CB 3.45Å; Q616-S619 PolarHBondContact O-N 3Å; L617-S619 VanDerWaalsContact C-N 3.34Å; L617-S619 PolarHBondContact O-N 3.04Å; S619-C622 PolarHBondContact O-N 3.01Å; S619-T623 PolarHBondContact O-N 2.86Å; S619-T623 PolarHBondContact O-OG1 3.42Å; S619-T623 VanDerWaalsContact O-OG1 3.04Å |
| 620 | I | 91.5 | Very high | 86 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -49.6 | 176.8 | -69 | 164.7 | 0 | 0 | 0 | 110.5 | L559 V562 E563 L589 Q616 L617 H618 C622 T623 M624 | L559-I620 HydrophobicContact CB-CD1 4.22Å; L559-I620 HydrophobicContact CD2-CD1 4.14Å; L559-I620 WeakPolarHBondContact O-CD1 3.47Å; V562-I620 HydrophobicContact CG1-CG2 3.88Å; E563-I620 HydrophobicContact CB-CD1 4.08Å; E563-I620 HydrophobicContact CB-CG1 4.07Å; E563-I620 HydrophobicContact CG-CG1 4.4Å; L589-I620 HydrophobicContact CD1-CG2 3.94Å; Q616-I620 HydrophobicContact CG-CD1 4.13Å; Q616-I620 VanDerWaalsContact O-CG1 3.31Å; Q616-I620 WeakPolarHBondContact O-CG1 3.37Å; Q616-I620 PolarHBondContact O-N 2.68Å; L617-I620 PolarHBondContact O-N 2.93Å; H618-I620 VanDerWaalsContact C-N 3.34Å; H618-I620 PolarHBondContact O-N 3.05Å; I620-C622 VanDerWaalsContact C-N 3.33Å; I620-C622 PolarHBondContact O-N 3.35Å; I620-T623 PolarHBondContact O-N 3.45Å; I620-M624 HydrophobicContact CG2-CG 4.29Å; I620-M624 HydrophobicContact CG2-SD 3.96Å; I620-M624 WeakPolarHBondContact O-CB 3.33Å; I620-M624 VanDerWaalsContact O-CG 3.29Å; I620-M624 WeakPolarHBondContact O-CG 3.49Å; I620-M624 PolarHBondContact O-N 3.12Å |
| 621 | L | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 179.6 | -68.8 | 174.7 | 0 | 0 | 0 | 111.7 | L586 L589 V593 L617 H618 M624 L625 C637 L640 L641 Y644 | L586-L621 HydrophobicContact CD2-CD2 4.5Å; L589-L621 HydrophobicContact CD1-CD2 4.39Å; V593-L621 HydrophobicContact CG2-CD1 4.11Å; L617-L621 HydrophobicContact CD1-CD1 4.29Å; L617-L621 HydrophobicContact CD1-CG 4.26Å; L617-L621 HydrophobicContact CG-CD1 4.28Å; L617-L621 WeakPolarHBondContact O-CG 3.48Å; L617-L621 PolarHBondContact O-N 3.41Å; H618-L621 PolarHBondContact O-N 3.43Å; L621-M624 PolarHBondContact O-N 3.09Å; L621-L625 VanDerWaalsContact O-CB 3.27Å; L621-L625 WeakPolarHBondContact O-CB 3.32Å; L621-L625 PolarHBondContact O-N 3.29Å; L621-C637 PolarHBondContact O-SG 3.12Å; L621-L640 HydrophobicContact CD2-CB 4.1Å; L621-L640 HydrophobicContact CD2-CD1 4.47Å; L621-L641 HydrophobicContact CB-CD1 4.26Å; L621-Y644 HydrophobicContact CD1-CG 4.46Å |
| 622 | C | 91.3 | Very high | 87.7 | Confident | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.7 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | H618 S619 I620 L625 T626 L674 | H618-C622 VanDerWaalsContact CE1-SG 3.52Å; H618-C622 PolarHBondContact NE2-SG 2.72Å; H618-C622 WeakPolarHBondContact O-CB 3.27Å; H618-C622 PolarHBondContact O-N 2.86Å; H618-C622 PolarHBondContact O-SG 2.84Å; S619-C622 PolarHBondContact O-N 3.01Å; I620-C622 VanDerWaalsContact C-N 3.33Å; I620-C622 PolarHBondContact O-N 3.35Å; C622-L625 PolarHBondContact O-N 3.47Å; C622-T626 WeakPolarHBondContact O-CG2 3.48Å; C622-T626 PolarHBondContact O-N 3.34Å; C622-T626 PolarHBondContact O-OG1 3.28Å; C622-L674 HydrophobicContact CB-CD1 3.56Å; C622-L674 WeakPolarHBondContact SG-CD1 3.39Å |
| 623 | T | 89.1 | Confident | 88.3 | Confident | 62 Ų | 62 | 40.3 Ų | 40.3 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 174.7 | -58.5 | 0 | 0 | 0 | 0 | 111 | S619 I620 L625 T626 E627 | S619-T623 PolarHBondContact O-N 2.86Å; S619-T623 PolarHBondContact O-OG1 3.42Å; S619-T623 VanDerWaalsContact O-OG1 3.04Å; I620-T623 PolarHBondContact O-N 3.45Å; T623-L625 VanDerWaalsContact C-N 3.27Å; T623-L625 PolarHBondContact O-N 3.38Å; T623-T626 PolarHBondContact O-N 3.12Å; T623-T626 VanDerWaalsContact O-N 3.15Å; T623-T626 PolarHBondContact O-OG1 2.76Å; T623-E627 HydrophobicContact CG2-CG 4.41Å; T623-E627 WeakPolarHBondContact O-CG 3.48Å; T623-E627 PolarHBondContact O-N 3.37Å; T623-E627 VanDerWaalsContact O-N 3.12Å |
| 624 | M | 90.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.044 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -36.7 | 177.2 | -69 | -172.9 | 90.4 | 0 | 0 | 111.8 | F566 R582 C585 L586 L589 I620 L621 T626 E628 | F566-M624 HydrophobicContact CE2-CE 4.1Å; F566-M624 HydrophobicContact CZ-CE 4.48Å; R582-M624 HydrophobicContact CB-CE 3.87Å; R582-M624 HydrophobicContact CG-CE 3.99Å; C585-M624 HydrophobicContact CB-CE 4.15Å; L586-M624 HydrophobicContact CD1-CE 4.4Å; L586-M624 HydrophobicContact CD2-CE 3.91Å; L586-M624 HydrophobicContact CD2-SD 3.79Å; L586-M624 HydrophobicContact CG-CE 3.75Å; L586-M624 HydrophobicContact CG-SD 4.28Å; L589-M624 HydrophobicContact CD1-SD 4.44Å; I620-M624 HydrophobicContact CG2-CG 4.29Å; I620-M624 HydrophobicContact CG2-SD 3.96Å; I620-M624 WeakPolarHBondContact O-CB 3.33Å; I620-M624 VanDerWaalsContact O-CG 3.29Å; I620-M624 WeakPolarHBondContact O-CG 3.49Å; I620-M624 PolarHBondContact O-N 3.12Å; L621-M624 PolarHBondContact O-N 3.09Å; M624-T626 VanDerWaalsContact C-N 3.33Å; M624-T626 PolarHBondContact O-N 3.31Å; M624-E628 WeakPolarHBondContact O-CB 3.31Å; M624-E628 PolarHBondContact O-N 3.36Å |
| 625 | L | 90.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -35.7 | 177 | -173.1 | 69.4 | 0 | 0 | 0 | 112.7 | L621 C622 T623 L634 C637 V638 L641 L674 L675 V678 | L621-L625 VanDerWaalsContact O-CB 3.27Å; L621-L625 WeakPolarHBondContact O-CB 3.32Å; L621-L625 PolarHBondContact O-N 3.29Å; C622-L625 PolarHBondContact O-N 3.47Å; T623-L625 VanDerWaalsContact C-N 3.27Å; T623-L625 PolarHBondContact O-N 3.38Å; L625-L634 HydrophobicContact CD1-CD1 3.78Å; L625-C637 HydrophobicContact CD1-CB 4.38Å; L625-V638 HydrophobicContact CD1-CG2 3.58Å; L625-L641 HydrophobicContact CD2-CD2 3.72Å; L625-L674 HydrophobicContact CD2-CB 3.85Å; L625-L675 HydrophobicContact CD2-CD2 4.25Å; L625-V678 HydrophobicContact CD1-CG2 3.95Å; L625-V678 HydrophobicContact CD2-CG2 4.09Å; L625-V678 HydrophobicContact CG-CG2 3.76Å |
| 626 | T | 86.7 | Confident | 89.8 | Confident | 66 Ų | 66 | 36.8 Ų | 36.8 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -81.8 | -27.8 | -178.6 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | C622 T623 M624 L674 | C622-T626 WeakPolarHBondContact O-CG2 3.48Å; C622-T626 PolarHBondContact O-N 3.34Å; C622-T626 PolarHBondContact O-OG1 3.28Å; T623-T626 PolarHBondContact O-N 3.12Å; T623-T626 VanDerWaalsContact O-N 3.15Å; T623-T626 PolarHBondContact O-OG1 2.76Å; M624-T626 VanDerWaalsContact C-N 3.33Å; M624-T626 PolarHBondContact O-N 3.31Å; T626-L674 HydrophobicContact CG2-CD2 3.82Å |
| 627 | E | 85.7 | Confident | 90.1 | Very high | 64 Ų | 64 | 35 Ų | 35 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -99.3 | -13.3 | -176 | -62 | -172.7 | 148.2 | 0 | 0 | 114.7 | R571 R582 T623 | R571-E627 IonicContact CZ-OE1 3.66Å; R571-E627 IonicContact CZ-OE2 2.63Å; R571-E627 IonicContact NH2-OE1 3.2Å; R571-E627 PolarHBondContact NH2-OE1 2.79Å; R571-E627 IonicContact NH2-OE2 4Å; R571-E627 PolarHBondContact NH2-OE2 2.81Å; R582-E627 PolarHBondContact NH1-O 3.47Å; R582-E627 PolarHBondContact NH2-O 3.22Å; T623-E627 HydrophobicContact CG2-CG 4.41Å; T623-E627 WeakPolarHBondContact O-CG 3.48Å; T623-E627 PolarHBondContact O-N 3.37Å; T623-E627 VanDerWaalsContact O-N 3.12Å |
| 628 | E | 89.1 | Confident | 90.4 | Very high | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | trans | -75.4 | 132.5 | -177.4 | -171.7 | 58.1 | -84.2 | 0 | 0 | 112.7 | R582 M624 D630 N633 L634 | R582-E628 VanDerWaalsContact CB-OE2 3.31Å; R582-E628 WeakPolarHBondContact CB-OE2 3.44Å; R582-E628 WeakPolarHBondContact CD-OE2 3.48Å; R582-E628 IonicContact NH1-OE1 3.94Å; R582-E628 PolarHBondContact NH1-OE1 3.3Å; R582-E628 IonicContact NH1-OE2 3.36Å; M624-E628 WeakPolarHBondContact O-CB 3.31Å; M624-E628 PolarHBondContact O-N 3.36Å; E628-D630 PolarHBondContact OE1-N 2.88Å; E628-N633 VanDerWaalsContact CD-CB 3.41Å; E628-N633 HydrophobicContact CG-CB 3.49Å; E628-N633 VanDerWaalsContact CG-CB 3.49Å; E628-N633 WeakPolarHBondContact OE2-CB 3.49Å; E628-N633 PolarHBondContact OE2-ND2 3.1Å; E628-L634 HydrophobicContact CB-CD1 4.36Å; E628-L634 HydrophobicContact CG-CB 4.22Å | ||
| 629 | T | 84 | Confident | 90.6 | Very high | 128 Ų | 128 | 34.3 Ų | 34.3 | 79% | 0.785 | 19% | 0.193 | S | C | * | . | trans | -114.7 | -21 | -179.6 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 630 | D | 89.8 | Confident | 90.9 | Very high | 51 Ų | 51 | 31.5 Ų | 31.5 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | trans | -76.4 | 125.3 | 175.4 | -176.4 | 87.9 | 0 | 0 | 0 | 111 | E628 Q632 N633 L634 | E628-D630 PolarHBondContact OE1-N 2.88Å; D630-Q632 VanDerWaalsContact C-N 3.29Å; D630-Q632 PolarHBondContact O-N 3.18Å; D630-Q632 WeakPolarHBondContact OD2-CB 3.47Å; D630-Q632 PolarHBondContact OD2-N 3.16Å; D630-N633 HydrophobicContact CB-CB 4.17Å; D630-N633 PolarHBondContact O-N 2.87Å; D630-N633 PolarHBondContact OD2-N 3.27Å; D630-N633 VanDerWaalsContact OD2-N 3.11Å; D630-L634 VanDerWaalsContact O-CB 3.28Å; D630-L634 WeakPolarHBondContact O-CB 3.4Å; D630-L634 PolarHBondContact O-N 2.97Å | ||
| 631 | S | 89.7 | Confident | 90.9 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -54.2 | -40.9 | -178.1 | -179.3 | 0 | 0 | 0 | 0 | 113.9 | Q635 D686 | S631-Q635 VanDerWaalsContact O-CG 3.31Å; S631-Q635 WeakPolarHBondContact O-CG 3.37Å; S631-Q635 PolarHBondContact O-N 2.84Å; S631-Q635 PolarHBondContact O-NE2 3.35Å; S631-Q635 PolarHBondContact OG-NE2 2.94Å; S631-D686 WeakPolarHBondContact CB-OD2 3.33Å; S631-D686 VanDerWaalsContact OG-CG 3.27Å; S631-D686 PolarHBondContact OG-OD1 3.43Å; S631-D686 PolarHBondContact OG-OD2 2.91Å |
| 632 | Q | 88.7 | Confident | 90.9 | Very high | 137 Ų | 137 | 31.1 Ų | 31.1 | 64% | 0.64 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -75.7 | -43.4 | -175.1 | -63.1 | -177.7 | -5.6 | 0 | 0 | 110.7 | D630 L634 Q635 L636 | D630-Q632 VanDerWaalsContact C-N 3.29Å; D630-Q632 PolarHBondContact O-N 3.18Å; D630-Q632 WeakPolarHBondContact OD2-CB 3.47Å; D630-Q632 PolarHBondContact OD2-N 3.16Å; Q632-L634 VanDerWaalsContact C-N 3.27Å; Q632-L634 PolarHBondContact O-N 3.46Å; Q632-Q635 PolarHBondContact O-N 2.85Å; Q632-L636 WeakPolarHBondContact O-CB 3.47Å; Q632-L636 PolarHBondContact O-N 3.48Å |
| 633 | N | 92 | Very high | 90.9 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 173.7 | -70.6 | -4.6 | 0 | 0 | 0 | 111.5 | S579 H583 L586 E628 D630 L636 C637 | S579-N633 PolarHBondContact O-ND2 3.08Å; H583-N633 WeakPolarHBondContact CB-OD1 3.37Å; H583-N633 PolarHBondContact ND1-OD1 2.94Å; L586-N633 HydrophobicContact CD1-CB 3.92Å; L586-N633 WeakPolarHBondContact CD1-O 3.36Å; E628-N633 VanDerWaalsContact CD-CB 3.41Å; E628-N633 HydrophobicContact CG-CB 3.49Å; E628-N633 VanDerWaalsContact CG-CB 3.49Å; E628-N633 WeakPolarHBondContact OE2-CB 3.49Å; E628-N633 PolarHBondContact OE2-ND2 3.1Å; D630-N633 HydrophobicContact CB-CB 4.17Å; D630-N633 PolarHBondContact O-N 2.87Å; D630-N633 PolarHBondContact OD2-N 3.27Å; D630-N633 VanDerWaalsContact OD2-N 3.11Å; N633-L636 PolarHBondContact O-N 3.17Å; N633-C637 VanDerWaalsContact O-CB 3.3Å; N633-C637 WeakPolarHBondContact O-CB 3.25Å; N633-C637 PolarHBondContact O-N 3.41Å |
| 634 | L | 92.7 | Very high | 91 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 178.4 | -172.3 | 58.9 | 0 | 0 | 0 | 111.3 | L625 E628 D630 Q632 C637 V638 V678 V689 | L625-L634 HydrophobicContact CD1-CD1 3.78Å; E628-L634 HydrophobicContact CB-CD1 4.36Å; E628-L634 HydrophobicContact CG-CB 4.22Å; D630-L634 VanDerWaalsContact O-CB 3.28Å; D630-L634 WeakPolarHBondContact O-CB 3.4Å; D630-L634 PolarHBondContact O-N 2.97Å; Q632-L634 VanDerWaalsContact C-N 3.27Å; Q632-L634 PolarHBondContact O-N 3.46Å; L634-C637 PolarHBondContact O-N 3.06Å; L634-V638 WeakPolarHBondContact O-CB 3.27Å; L634-V638 VanDerWaalsContact O-CG2 3.24Å; L634-V638 WeakPolarHBondContact O-CG2 3.41Å; L634-V638 PolarHBondContact O-N 3.34Å; L634-V678 HydrophobicContact CD1-CG1 4.41Å; L634-V678 HydrophobicContact CD2-CG1 4.25Å; L634-V678 HydrophobicContact CG-CG1 4.49Å; L634-V689 HydrophobicContact CB-CG2 4.17Å; L634-V689 HydrophobicContact CD2-CB 4.45Å; L634-V689 HydrophobicContact CD2-CG1 3.67Å; L634-V689 HydrophobicContact CD2-CG2 3.95Å; L634-V689 HydrophobicContact CG-CG1 3.94Å; L634-V689 HydrophobicContact CG-CG2 4.15Å |
| 635 | Q | 93.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 171.9 | -72.7 | 172.1 | 66.5 | 0 | 0 | 112.2 | S631 Q632 V638 N639 V689 | S631-Q635 VanDerWaalsContact O-CG 3.31Å; S631-Q635 WeakPolarHBondContact O-CG 3.37Å; S631-Q635 PolarHBondContact O-N 2.84Å; S631-Q635 PolarHBondContact O-NE2 3.35Å; S631-Q635 PolarHBondContact OG-NE2 2.94Å; Q632-Q635 PolarHBondContact O-N 2.85Å; Q635-V638 PolarHBondContact O-N 2.98Å; Q635-N639 PolarHBondContact O-N 2.9Å; Q635-N639 PolarHBondContact O-ND2 3.21Å; Q635-V689 HydrophobicContact CG-CB 4.47Å; Q635-V689 HydrophobicContact CG-CG2 3.81Å |
| 636 | L | 93.5 | Very high | 90.8 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 12% | 0.12 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.4 | 179.7 | 58.7 | 0 | 0 | 0 | 111.3 | L586 Q632 N633 N639 L640 V1285 | L586-L636 HydrophobicContact CB-CD2 3.54Å; L586-L636 HydrophobicContact CB-CG 4.06Å; L586-L636 HydrophobicContact CD1-CB 4.49Å; L586-L636 HydrophobicContact CD1-CD2 4.24Å; L586-L636 HydrophobicContact CD1-CG 4.42Å; Q632-L636 WeakPolarHBondContact O-CB 3.47Å; Q632-L636 PolarHBondContact O-N 3.48Å; N633-L636 PolarHBondContact O-N 3.17Å; L636-N639 PolarHBondContact O-N 2.92Å; L636-L640 HydrophobicContact CD1-CD1 4.21Å; L636-L640 HydrophobicContact CD1-CG 4.2Å; L636-L640 HydrophobicContact CG-CD1 4.07Å; L636-L640 HydrophobicContact CG-CG 4.47Å; L636-L640 WeakPolarHBondContact O-CB 3.28Å; L636-L640 VanDerWaalsContact O-CG 3.24Å; L636-L640 WeakPolarHBondContact O-CG 3.46Å; L636-L640 PolarHBondContact O-N 3.01Å; L636-V1285 HydrophobicContact CD1-CB 3.95Å; L636-V1285 HydrophobicContact CD1-CG1 3.88Å; L636-V1285 HydrophobicContact CD1-CG2 4.38Å |
| 637 | C | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 178 | -168 | 0 | 0 | 0 | 0 | 111.8 | L586 L621 L625 N633 L634 N639 L640 L641 | L586-C637 HydrophobicContact CD1-CB 4.34Å; L586-C637 HydrophobicContact CD2-CB 4.07Å; L621-C637 PolarHBondContact O-SG 3.12Å; L625-C637 HydrophobicContact CD1-CB 4.38Å; N633-C637 VanDerWaalsContact O-CB 3.3Å; N633-C637 WeakPolarHBondContact O-CB 3.25Å; N633-C637 PolarHBondContact O-N 3.41Å; L634-C637 PolarHBondContact O-N 3.06Å; C637-N639 PolarHBondContact O-N 2.94Å; C637-L640 PolarHBondContact O-N 2.86Å; C637-L641 WeakPolarHBondContact O-CB 3.18Å; C637-L641 PolarHBondContact O-N 3.33Å |
| 638 | V | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 174.3 | 164.1 | 0 | 0 | 0 | 0 | 111.1 | L625 L634 Q635 L640 L641 A642 L675 S692 V693 S696 | L625-V638 HydrophobicContact CD1-CG2 3.58Å; L634-V638 WeakPolarHBondContact O-CB 3.27Å; L634-V638 VanDerWaalsContact O-CG2 3.24Å; L634-V638 WeakPolarHBondContact O-CG2 3.41Å; L634-V638 PolarHBondContact O-N 3.34Å; Q635-V638 PolarHBondContact O-N 2.98Å; V638-L640 PolarHBondContact O-N 2.92Å; V638-L641 PolarHBondContact O-N 3.41Å; V638-A642 WeakPolarHBondContact O-CB 3.33Å; V638-A642 PolarHBondContact O-N 3.36Å; V638-L675 HydrophobicContact CB-CD2 4.26Å; V638-L675 HydrophobicContact CG1-CD2 3.86Å; V638-L675 HydrophobicContact CG2-CD2 3.91Å; V638-S692 WeakPolarHBondContact CG1-O 3.4Å; V638-V693 HydrophobicContact CG1-CG2 4.09Å; V638-V693 HydrophobicContact CG2-CG2 3.95Å; V638-S696 VanDerWaalsContact CG1-OG 3.23Å; V638-S696 WeakPolarHBondContact CG1-OG 3.26Å |
| 639 | N | 94 | Very high | 90 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | -179.7 | -69.5 | -22.1 | 0 | 0 | 0 | 112.3 | Q635 L636 C637 A642 A643 V1285 | Q635-N639 PolarHBondContact O-N 2.9Å; Q635-N639 PolarHBondContact O-ND2 3.21Å; L636-N639 PolarHBondContact O-N 2.92Å; C637-N639 PolarHBondContact O-N 2.94Å; N639-A642 PolarHBondContact O-N 3.48Å; N639-A643 WeakPolarHBondContact O-CB 3.37Å; N639-A643 PolarHBondContact O-N 2.88Å; N639-V1285 HydrophobicContact CB-CG1 3.45Å; N639-V1285 VanDerWaalsContact CB-CG1 3.45Å |
| 640 | L | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 175.5 | -74.6 | 176.8 | 0 | 0 | 0 | 112.5 | L586 V593 L621 L636 C637 V638 A642 A643 Y644 V1285 | L586-L640 HydrophobicContact CB-CD1 4.14Å; L586-L640 HydrophobicContact CD2-CD1 3.94Å; L586-L640 WeakPolarHBondContact O-CD1 3.46Å; V593-L640 HydrophobicContact CB-CD2 4.26Å; V593-L640 HydrophobicContact CG1-CD2 4.24Å; V593-L640 HydrophobicContact CG2-CB 4.47Å; V593-L640 HydrophobicContact CG2-CD2 4.32Å; V593-L640 WeakPolarHBondContact CG2-O 3.48Å; L621-L640 HydrophobicContact CD2-CB 4.1Å; L621-L640 HydrophobicContact CD2-CD1 4.47Å; L636-L640 HydrophobicContact CD1-CD1 4.21Å; L636-L640 HydrophobicContact CD1-CG 4.2Å; L636-L640 HydrophobicContact CG-CD1 4.07Å; L636-L640 HydrophobicContact CG-CG 4.47Å; L636-L640 WeakPolarHBondContact O-CB 3.28Å; L636-L640 VanDerWaalsContact O-CG 3.24Å; L636-L640 WeakPolarHBondContact O-CG 3.46Å; L636-L640 PolarHBondContact O-N 3.01Å; C637-L640 PolarHBondContact O-N 2.86Å; V638-L640 PolarHBondContact O-N 2.92Å; L640-A642 VanDerWaalsContact C-N 3.29Å; L640-A642 PolarHBondContact O-N 3.1Å; L640-A643 PolarHBondContact O-N 2.8Å; L640-Y644 WeakPolarHBondContact O-CB 3.33Å; L640-Y644 PolarHBondContact O-N 3.35Å; L640-V1285 HydrophobicContact CD2-CG2 3.65Å; L640-V1285 HydrophobicContact CG-CG2 4.49Å |
| 641 | L | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 174.7 | -176.9 | 61.2 | 0 | 0 | 0 | 110.8 | L621 L625 C637 V638 Y644 C645 A671 L675 | L621-L641 HydrophobicContact CB-CD1 4.26Å; L625-L641 HydrophobicContact CD2-CD2 3.72Å; C637-L641 WeakPolarHBondContact O-CB 3.18Å; C637-L641 PolarHBondContact O-N 3.33Å; V638-L641 PolarHBondContact O-N 3.41Å; L641-Y644 PolarHBondContact O-N 2.79Å; L641-C645 WeakPolarHBondContact O-CB 3.27Å; L641-C645 PolarHBondContact O-N 3.36Å; L641-C645 PolarHBondContact O-SG 3.27Å; L641-A671 HydrophobicContact CD1-CB 4.07Å; L641-A671 HydrophobicContact CD2-CB 3.88Å; L641-A671 HydrophobicContact CG-CB 3.97Å; L641-L675 HydrophobicContact CD2-CG 4.43Å |
| 642 | A | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V638 N639 L640 C645 F646 S696 | V638-A642 WeakPolarHBondContact O-CB 3.33Å; V638-A642 PolarHBondContact O-N 3.36Å; N639-A642 PolarHBondContact O-N 3.48Å; L640-A642 VanDerWaalsContact C-N 3.29Å; L640-A642 PolarHBondContact O-N 3.1Å; A642-C645 PolarHBondContact O-N 3.42Å; A642-F646 WeakPolarHBondContact O-CB 3.47Å; A642-F646 PolarHBondContact O-N 2.76Å; A642-S696 WeakPolarHBondContact CB-OG 3.29Å |
| 643 | A | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V593 N639 L640 F646 G647 F1298 | V593-A643 HydrophobicContact CG1-CB 4.18Å; N639-A643 WeakPolarHBondContact O-CB 3.37Å; N639-A643 PolarHBondContact O-N 2.88Å; L640-A643 PolarHBondContact O-N 2.8Å; A643-F646 PolarHBondContact O-N 2.92Å; A643-G647 PolarHBondContact O-N 3.21Å; A643-F1298 HydrophobicContact CB-CE1 3.69Å; A643-F1298 HydrophobicContact CB-CZ 4Å |
| 644 | Y | 91.7 | Very high | 85.7 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.1 | -54 | 174.6 | 175.5 | -97.1 | 0 | 0 | 0 | 111.3 | V593 F597 A614 L617 H618 L621 L640 L641 F646 G647 L648 T667 | V593-Y644 WeakPolarHBondContact O-CD2 3.45Å; F597-Y644 AromaticContact CE2-CD2 3.85Å; F597-Y644 HydrophobicContact CE2-CD2 3.85Å; F597-Y644 AromaticContact CE2-CE2 3.78Å; F597-Y644 HydrophobicContact CE2-CE2 3.78Å; F597-Y644 WeakPolarHBondContact CE2-O 3.42Å; F597-Y644 HydrophobicContact CZ-CD2 4.1Å; F597-Y644 AromaticContact CZ-CE2 3.55Å; F597-Y644 HydrophobicContact CZ-CE2 3.55Å; F597-Y644 AromaticContact CZ-CZ 3.83Å; A614-Y644 PolarHBondContact O-OH 3.18Å; A614-Y644 VanDerWaalsContact O-OH 3.08Å; L617-Y644 HydrophobicContact CD2-CD2 3.88Å; L617-Y644 HydrophobicContact CD2-CE2 4.09Å; L617-Y644 HydrophobicContact CG-CD2 4.38Å; L617-Y644 HydrophobicContact CG-CE2 4.49Å; H618-Y644 HydrophobicContact CB-CD1 4.47Å; H618-Y644 HydrophobicContact CB-CE1 3.71Å; H618-Y644 AromaticContact CG-CE1 3.91Å; H618-Y644 AromaticContact ND1-CD1 3.84Å; H618-Y644 AromaticContact ND1-CE1 3.54Å; L621-Y644 HydrophobicContact CD1-CG 4.46Å; L640-Y644 WeakPolarHBondContact O-CB 3.33Å; L640-Y644 PolarHBondContact O-N 3.35Å; L641-Y644 PolarHBondContact O-N 2.79Å; Y644-F646 VanDerWaalsContact C-N 3.34Å; Y644-F646 PolarHBondContact O-N 3.13Å; Y644-G647 PolarHBondContact O-N 3.06Å; Y644-L648 HydrophobicContact CE1-CD2 4.34Å; Y644-L648 WeakPolarHBondContact O-CB 3.12Å; Y644-L648 PolarHBondContact O-N 2.6Å; Y644-T667 HydrophobicContact CE1-CG2 3.94Å |
| 645 | C | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -36.9 | -178.6 | -74 | 0 | 0 | 0 | 0 | 112.2 | L641 A642 L648 L649 V668 A671 L700 | L641-C645 WeakPolarHBondContact O-CB 3.27Å; L641-C645 PolarHBondContact O-N 3.36Å; L641-C645 PolarHBondContact O-SG 3.27Å; A642-C645 PolarHBondContact O-N 3.42Å; C645-L648 PolarHBondContact O-N 3.33Å; C645-L649 WeakPolarHBondContact O-CB 3.41Å; C645-L649 VanDerWaalsContact O-CG 3.3Å; C645-L649 WeakPolarHBondContact O-CG 3.39Å; C645-L649 PolarHBondContact O-N 2.88Å; C645-V668 HydrophobicContact CB-CG2 4.16Å; C645-A671 VanDerWaalsContact SG-CB 3.54Å; C645-L700 HydrophobicContact CB-CD1 4.31Å; C645-L700 HydrophobicContact CB-CD2 3.42Å; C645-L700 VanDerWaalsContact CB-CD2 3.42Å |
| 646 | F | 86.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 174 | -170.5 | -75.9 | 0 | 0 | 0 | 111.1 | A642 A643 Y644 L648 L649 F650 T699 L700 I703 L1294 P1297 F1298 H1301 | A642-F646 WeakPolarHBondContact O-CB 3.47Å; A642-F646 PolarHBondContact O-N 2.76Å; A643-F646 PolarHBondContact O-N 2.92Å; Y644-F646 VanDerWaalsContact C-N 3.34Å; Y644-F646 PolarHBondContact O-N 3.13Å; F646-L648 PolarHBondContact O-N 3.25Å; F646-L649 PolarHBondContact O-N 3.34Å; F646-F650 WeakPolarHBondContact O-CB 3.07Å; F646-F650 PolarHBondContact O-N 3.23Å; F646-T699 HydrophobicContact CD2-CG2 3.44Å; F646-T699 VanDerWaalsContact CD2-CG2 3.44Å; F646-T699 HydrophobicContact CE2-CG2 3.87Å; F646-T699 HydrophobicContact CG-CG2 4.42Å; F646-L700 HydrophobicContact CB-CD2 4.48Å; F646-I703 HydrophobicContact CB-CD1 4.1Å; F646-I703 HydrophobicContact CD1-CD1 3.63Å; F646-I703 HydrophobicContact CD2-CD1 3.05Å; F646-I703 HydrophobicContact CD2-CG1 3.89Å; F646-I703 HydrophobicContact CE1-CD1 3.72Å; F646-I703 HydrophobicContact CE2-CD1 3.15Å; F646-I703 HydrophobicContact CE2-CG1 3.52Å; F646-I703 HydrophobicContact CG-CD1 3.32Å; F646-I703 HydrophobicContact CZ-CD1 3.49Å; F646-I703 VanDerWaalsContact CZ-CD1 3.49Å; F646-I703 HydrophobicContact CZ-CG1 3.87Å; F646-L1294 HydrophobicContact CD1-CD2 4.26Å; F646-L1294 HydrophobicContact CE1-CD2 4.21Å; F646-P1297 HydrophobicContact CE1-CB 3.82Å; F646-P1297 HydrophobicContact CZ-CB 3.64Å; F646-F1298 HydrophobicContact CB-CE2 4.42Å; F646-F1298 HydrophobicContact CB-CZ 4.22Å; F646-F1298 AromaticContact CD1-CD2 3.77Å; F646-F1298 HydrophobicContact CD1-CD2 3.77Å; F646-F1298 AromaticContact CD1-CE2 3.23Å; F646-F1298 HydrophobicContact CD1-CE2 3.23Å; F646-F1298 AromaticContact CD1-CZ 3.88Å; F646-F1298 HydrophobicContact CD1-CZ 3.88Å; F646-F1298 AromaticContact CE1-CD2 3.74Å; F646-F1298 HydrophobicContact CE1-CD2 3.74Å; F646-F1298 AromaticContact CE1-CE2 3.7Å; F646-F1298 HydrophobicContact CE1-CE2 3.7Å; F646-F1298 HydrophobicContact CG-CE2 4.04Å; F646-F1298 HydrophobicContact CG-CZ 4.26Å; F646-H1301 AromaticContact CE2-CD2 3.44Å; F646-H1301 VanDerWaalsContact CE2-CD2 3.44Å; F646-H1301 WeakPolarHBondContact CE2-CD2 3.46Å; F646-H1301 AromaticContact CE2-NE2 3.8Å; F646-H1301 AromaticContact CZ-CD2 3.69Å |
| 647 | G | 84.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A643 Y644 L649 F650 W651 | A643-G647 PolarHBondContact O-N 3.21Å; Y644-G647 PolarHBondContact O-N 3.06Å; G647-L649 PolarHBondContact O-N 2.66Å; G647-F650 PolarHBondContact O-N 3.19Å; G647-W651 WeakPolarHBondContact O-CB 3.27Å; G647-W651 PolarHBondContact O-N 3.41Å |
| 648 | L | 83 | Confident | 78.6 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 176.6 | 179 | 63.7 | 0 | 0 | 0 | 112.3 | F597 Y644 C645 F646 R652 T667 V668 | F597-L648 HydrophobicContact CD1-CD1 4.37Å; F597-L648 HydrophobicContact CE1-CB 4.04Å; F597-L648 HydrophobicContact CE1-CD1 3.48Å; F597-L648 VanDerWaalsContact CE1-CD1 3.48Å; F597-L648 HydrophobicContact CE1-CG 4.36Å; F597-L648 HydrophobicContact CE2-CB 4.02Å; F597-L648 HydrophobicContact CZ-CB 3.61Å; F597-L648 HydrophobicContact CZ-CD1 3.79Å; F597-L648 HydrophobicContact CZ-CG 4.24Å; Y644-L648 HydrophobicContact CE1-CD2 4.34Å; Y644-L648 WeakPolarHBondContact O-CB 3.12Å; Y644-L648 PolarHBondContact O-N 2.6Å; C645-L648 PolarHBondContact O-N 3.33Å; F646-L648 PolarHBondContact O-N 3.25Å; L648-R652 PolarHBondContact O-N 2.92Å; L648-R652 VanDerWaalsContact O-N 3.08Å; L648-T667 HydrophobicContact CD2-CG2 3.89Å; L648-V668 HydrophobicContact CD2-CG2 4.48Å |
| 649 | L | 79 | Confident | 76.2 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 179.1 | -75.2 | 173.5 | 0 | 0 | 0 | 112 | C645 F646 G647 R652 K653 V668 I703 F704 | C645-L649 WeakPolarHBondContact O-CB 3.41Å; C645-L649 VanDerWaalsContact O-CG 3.3Å; C645-L649 WeakPolarHBondContact O-CG 3.39Å; C645-L649 PolarHBondContact O-N 2.88Å; F646-L649 PolarHBondContact O-N 3.34Å; G647-L649 PolarHBondContact O-N 2.66Å; L649-R652 PolarHBondContact O-N 3.32Å; L649-K653 PolarHBondContact O-N 3.37Å; L649-V668 HydrophobicContact CD1-CG1 4.31Å; L649-V668 HydrophobicContact CD1-CG2 4.13Å; L649-V668 HydrophobicContact CD2-CG2 3.93Å; L649-V668 HydrophobicContact CG-CG2 3.85Å; L649-I703 HydrophobicContact CB-CB 4.38Å; L649-I703 HydrophobicContact CB-CD1 4.12Å; L649-I703 HydrophobicContact CB-CG2 3.9Å; L649-I703 HydrophobicContact CD1-CB 4.36Å; L649-I703 HydrophobicContact CD1-CD1 4.48Å; L649-F704 HydrophobicContact CD1-CD2 4.46Å; L649-F704 HydrophobicContact CD2-CD2 3.95Å; L649-F704 HydrophobicContact CD2-CE2 4.29Å |
| 650 | F | 76.1 | Confident | 73.9 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 19% | 0.193 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 177.6 | -173.9 | -88.3 | 0 | 0 | 0 | 112.2 | F646 G647 R652 K653 S654 D1293 L1294 P1297 | F646-F650 WeakPolarHBondContact O-CB 3.07Å; F646-F650 PolarHBondContact O-N 3.23Å; G647-F650 PolarHBondContact O-N 3.19Å; F650-R652 VanDerWaalsContact C-N 3.31Å; F650-R652 PolarHBondContact O-N 2.9Å; F650-K653 PolarHBondContact O-N 3.49Å; F650-S654 PolarHBondContact O-N 3.3Å; F650-S654 VanDerWaalsContact O-N 3.1Å; F650-S654 PolarHBondContact O-OG 3.25Å; F650-D1293 HydrophobicContact CE1-CB 3.7Å; F650-D1293 HydrophobicContact CZ-CB 3.77Å; F650-L1294 HydrophobicContact CB-CD2 3.5Å; F650-L1294 VanDerWaalsContact CB-CD2 3.5Å; F650-L1294 HydrophobicContact CD1-CD2 3.37Å; F650-L1294 HydrophobicContact CD1-CG 4.01Å; F650-L1294 HydrophobicContact CD2-CD2 3.92Å; F650-L1294 HydrophobicContact CE1-CD2 4.06Å; F650-L1294 HydrophobicContact CE1-CG 4.39Å; F650-L1294 HydrophobicContact CG-CD2 3.3Å; F650-L1294 HydrophobicContact CG-CG 4.39Å; F650-P1297 HydrophobicContact CE2-CG 4.34Å |
| 651 | W | 73.8 | Confident | 71.7 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 28% | 0.284 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.8 | -178.3 | 84.6 | 0 | 0 | 0 | 111.5 | F597 G647 S654 G656 T658 | F597-W651 HydrophobicContact CB-CB 4.05Å; F597-W651 HydrophobicContact CB-CG 4.15Å; F597-W651 HydrophobicContact CD1-CB 4.2Å; F597-W651 HydrophobicContact CD1-CD2 4.45Å; F597-W651 HydrophobicContact CD1-CG 4.16Å; F597-W651 HydrophobicContact CG-CB 4.3Å; G647-W651 WeakPolarHBondContact O-CB 3.27Å; G647-W651 PolarHBondContact O-N 3.41Å; W651-S654 PolarHBondContact O-N 3.02Å; W651-G656 PolarHBondContact O-N 2.84Å; W651-T658 HydrophobicContact CZ3-CG2 3.97Å |
| 652 | R | 71.1 | Confident | 69.5 | Low | 83 Ų | 83 | 58 Ų | 58 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.8 | -172.9 | 178.7 | -179.6 | 140.8 | 3.5 | 112.6 | L648 L649 F650 S654 G655 H665 | L648-R652 PolarHBondContact O-N 2.92Å; L648-R652 VanDerWaalsContact O-N 3.08Å; L649-R652 PolarHBondContact O-N 3.32Å; F650-R652 VanDerWaalsContact C-N 3.31Å; F650-R652 PolarHBondContact O-N 2.9Å; R652-S654 PolarHBondContact O-N 2.97Å; R652-G655 PolarHBondContact O-N 2.98Å; R652-H665 PolarHBondContact NE-NE2 2.9Å; R652-H665 PolarHBondContact NH1-CD2 3.49Å; R652-H665 PolarHBondContact NH1-NE2 2.87Å; R652-H665 PolarHBondContact NH2-NE2 2.84Å |
| 653 | K | 66.4 | Low | 67.9 | Low | 160 Ų | 160 | 59.2 Ų | 59.2 | 70% | 0.696 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.7 | -29.6 | 177.2 | -172.6 | 178.4 | 177.8 | -179.9 | 0 | 112 | L649 F650 G655 | L649-K653 PolarHBondContact O-N 3.37Å; F650-K653 PolarHBondContact O-N 3.49Å; K653-G655 PolarHBondContact O-N 3.44Å |
| 654 | S | 65.9 | Low | 66.6 | Low | 84 Ų | 84 | 59.4 Ų | 59.4 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 9.1 | 178.4 | -52.2 | 0 | 0 | 0 | 0 | 113.8 | F650 W651 R652 | F650-S654 PolarHBondContact O-N 3.3Å; F650-S654 VanDerWaalsContact O-N 3.1Å; F650-S654 PolarHBondContact O-OG 3.25Å; W651-S654 PolarHBondContact O-N 3.02Å; R652-S654 PolarHBondContact O-N 2.97Å |
| 655 | G | 62.1 | Low | 65.6 | Low | 63 Ų | 63 | 61.4 Ų | 61.4 | 65% | 0.649 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | 11 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | R652 K653 E657 | R652-G655 PolarHBondContact O-N 2.98Å; K653-G655 PolarHBondContact O-N 3.44Å; G655-E657 PolarHBondContact O-N 3.41Å |
| 656 | G | 57.6 | Low | 64.8 | Low | 17 Ų | 17 | 67.4 Ų | 67.4 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | trans | -67 | 113.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W651 | W651-G656 PolarHBondContact O-N 2.84Š| ||
| 657 | E | 52.3 | Low | 64.4 | Low | 179 Ų | 179 | 68.7 Ų | 68.7 | 84% | 0.836 | 38% | 0.376 | S | S | * | . | trans | -82.1 | 126 | 170.8 | -69.4 | -173.8 | 168.8 | 0 | 0 | 110.6 | G655 | G655-E657 PolarHBondContact O-N 3.41Š| ||
| 658 | T | 52.4 | Low | 64.2 | Low | 34 Ų | 34 | 68.8 Ų | 68.8 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | trans | -83 | 140.1 | 163.2 | 56 | 0 | 0 | 0 | 0 | 109 | W651 Q660 G661 | W651-T658 HydrophobicContact CZ3-CG2 3.97Å; T658-Q660 PolarHBondContact O-N 3.1Å; T658-G661 PolarHBondContact O-N 2.97Å | ||
| 659 | P | 44.7 | Very low | 64.1 | Low | 88 Ų | 88 | 68.4 Ų | 68.4 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.1 | -172.2 | 22.2 | -32 | 0 | 0 | 0 | 114.6 | I611 | I611-P659 HydrophobicContact CD1-CG 3.68Š|
| 660 | Q | 45.3 | Very low | 64.3 | Low | 168 Ų | 168 | 69.9 Ų | 69.9 | 79% | 0.785 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 1.1 | 177.9 | -69.4 | -175.5 | -10.8 | 0 | 0 | 114.1 | T658 Q662 | T658-Q660 PolarHBondContact O-N 3.1Å; Q660-Q662 PolarHBondContact O-N 3.23Å |
| 661 | G | 48.5 | Very low | 64.8 | Low | 50 Ų | 50 | 67.8 Ų | 67.8 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 63.3 | -14.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | T658 | T658-G661 PolarHBondContact O-N 2.97Š|
| 662 | Q | 46.6 | Very low | 65.5 | Low | 142 Ų | 142 | 64.3 Ų | 64.3 | 66% | 0.664 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -116.4 | -22.5 | -168.2 | -70 | -176.7 | -15.8 | 0 | 0 | 115.6 | Q660 G664 | Q660-Q662 PolarHBondContact O-N 3.23Å; Q662-G664 PolarHBondContact O-N 3.23Å |
| 663 | G | 57.2 | Low | 66.2 | Low | 25 Ų | 25 | 64 Ų | 64 | 26% | 0.258 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75 | -27.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | H665 E666 T667 | G663-H665 PolarHBondContact O-N 2.92Å; G663-E666 PolarHBondContact O-N 3.19Å; G663-T667 WeakPolarHBondContact O-CB 3.4Å; G663-T667 PolarHBondContact O-N 2.98Å; G663-T667 PolarHBondContact O-OG1 3.37Å |
| 664 | G | 65.9 | Low | 67.3 | Low | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.9 | -42.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q662 T667 V668 | Q662-G664 PolarHBondContact O-N 3.23Å; G664-T667 PolarHBondContact O-N 3.21Å; G664-V668 WeakPolarHBondContact O-CG2 3.49Å; G664-V668 PolarHBondContact O-N 3.43Å; G664-V668 VanDerWaalsContact O-N 3.1Å |
| 665 | H | 69.2 | Low | 68.5 | Low | 47 Ų | 47 | 54 Ų | 54 | 22% | 0.218 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71 | -36.4 | 178.8 | -68.8 | -70.5 | 0 | 0 | 0 | 111.7 | R652 G663 V668 G669 F704 | R652-H665 PolarHBondContact NE-NE2 2.9Å; R652-H665 PolarHBondContact NH1-CD2 3.49Å; R652-H665 PolarHBondContact NH1-NE2 2.87Å; R652-H665 PolarHBondContact NH2-NE2 2.84Å; G663-H665 PolarHBondContact O-N 2.92Å; H665-V668 PolarHBondContact O-N 3.31Å; H665-G669 PolarHBondContact O-N 3.37Å; H665-F704 AromaticContact CE1-CE2 3.5Å; H665-F704 VanDerWaalsContact CE1-CE2 3.5Å; H665-F704 WeakPolarHBondContact CE1-CE2 3.18Å; H665-F704 AromaticContact CE1-CZ 3.39Å; H665-F704 WeakPolarHBondContact CE1-CZ 3.49Å; H665-F704 AromaticContact ND1-CE2 2.95Å; H665-F704 WeakPolarHBondContact ND1-CE2 3.29Å; H665-F704 AromaticContact ND1-CZ 2.95Å; H665-F704 WeakPolarHBondContact ND1-CZ 3.27Å |
| 666 | E | 72.4 | Confident | 69.8 | Low | 125 Ų | 125 | 51.3 Ų | 51.3 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 174.3 | -64.4 | 175.1 | 176.4 | 0 | 0 | 111.3 | G663 G669 A670 | G663-E666 PolarHBondContact O-N 3.19Å; E666-G669 PolarHBondContact O-N 3.08Å; E666-A670 WeakPolarHBondContact O-CB 3.36Å; E666-A670 PolarHBondContact O-N 3.08Å |
| 667 | T | 77.8 | Confident | 71.3 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | H618 Y644 L648 G663 G664 A671 | H618-T667 HydrophobicContact CB-CG2 4.49Å; H618-T667 VanDerWaalsContact CE1-CG2 3.42Å; H618-T667 WeakPolarHBondContact CE1-CG2 3.48Å; H618-T667 PolarHBondContact CE1-O 3.24Å; H618-T667 WeakPolarHBondContact ND1-CG2 3.48Å; Y644-T667 HydrophobicContact CE1-CG2 3.94Å; L648-T667 HydrophobicContact CD2-CG2 3.89Å; G663-T667 WeakPolarHBondContact O-CB 3.4Å; G663-T667 PolarHBondContact O-N 2.98Å; G663-T667 PolarHBondContact O-OG1 3.37Å; G664-T667 PolarHBondContact O-N 3.21Å; T667-A671 PolarHBondContact O-N 3.48Å; T667-A671 VanDerWaalsContact O-N 3.08Å |
| 668 | V | 81.6 | Confident | 73.1 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | C645 L648 L649 G664 H665 A670 A671 L672 | C645-V668 HydrophobicContact CB-CG2 4.16Å; L648-V668 HydrophobicContact CD2-CG2 4.48Å; L649-V668 HydrophobicContact CD1-CG1 4.31Å; L649-V668 HydrophobicContact CD1-CG2 4.13Å; L649-V668 HydrophobicContact CD2-CG2 3.93Å; L649-V668 HydrophobicContact CG-CG2 3.85Å; G664-V668 WeakPolarHBondContact O-CG2 3.49Å; G664-V668 PolarHBondContact O-N 3.43Å; G664-V668 VanDerWaalsContact O-N 3.1Å; H665-V668 PolarHBondContact O-N 3.31Å; V668-A670 PolarHBondContact O-N 2.96Å; V668-A671 WeakPolarHBondContact O-CB 3.48Å; V668-A671 PolarHBondContact O-N 3.06Å; V668-L672 HydrophobicContact CG1-CD1 4.21Å; V668-L672 HydrophobicContact CG1-CG 4.33Å; V668-L672 VanDerWaalsContact O-CG 3.3Å; V668-L672 WeakPolarHBondContact O-CG 3.41Å; V668-L672 PolarHBondContact O-N 2.98Å |
| 669 | G | 81 | Confident | 74.8 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -49.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | H665 E666 A671 L672 F673 | H665-G669 PolarHBondContact O-N 3.37Å; E666-G669 PolarHBondContact O-N 3.08Å; G669-A671 VanDerWaalsContact C-N 3.33Å; G669-A671 PolarHBondContact O-N 3.43Å; G669-L672 WeakPolarHBondContact O-CB 3.32Å; G669-L672 PolarHBondContact O-N 3.44Å; G669-L672 VanDerWaalsContact O-N 3.15Å; G669-F673 WeakPolarHBondContact O-CD2 3.39Å; G669-F673 PolarHBondContact O-N 2.92Å |
| 670 | A | 83 | Confident | 76.8 | Confident | 41 Ų | 41 | 42.5 Ų | 42.5 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.5 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E666 V668 F673 L674 | E666-A670 WeakPolarHBondContact O-CB 3.36Å; E666-A670 PolarHBondContact O-N 3.08Å; V668-A670 PolarHBondContact O-N 2.96Å; A670-F673 WeakPolarHBondContact O-CB 3.44Å; A670-F673 PolarHBondContact O-N 3.26Å; A670-L674 WeakPolarHBondContact O-CG 3.19Å; A670-L674 PolarHBondContact O-N 3.46Å |
| 671 | A | 86.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L641 C645 T667 V668 G669 F673 L674 L675 | L641-A671 HydrophobicContact CD1-CB 4.07Å; L641-A671 HydrophobicContact CD2-CB 3.88Å; L641-A671 HydrophobicContact CG-CB 3.97Å; C645-A671 VanDerWaalsContact SG-CB 3.54Å; T667-A671 PolarHBondContact O-N 3.48Å; T667-A671 VanDerWaalsContact O-N 3.08Å; V668-A671 WeakPolarHBondContact O-CB 3.48Å; V668-A671 PolarHBondContact O-N 3.06Å; G669-A671 VanDerWaalsContact C-N 3.33Å; G669-A671 PolarHBondContact O-N 3.43Å; A671-F673 VanDerWaalsContact C-N 3.32Å; A671-F673 PolarHBondContact O-N 3.37Å; A671-L674 PolarHBondContact O-N 3.42Å; A671-L675 WeakPolarHBondContact O-CB 3.33Å; A671-L675 VanDerWaalsContact O-CG 3.26Å; A671-L675 WeakPolarHBondContact O-CG 3.42Å; A671-L675 PolarHBondContact O-N 3.27Å |
| 672 | L | 87.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.3 | -67.1 | 172.7 | 0 | 0 | 0 | 111.4 | V668 G669 L675 A676 L697 L700 Y715 L718 | V668-L672 HydrophobicContact CG1-CD1 4.21Å; V668-L672 HydrophobicContact CG1-CG 4.33Å; V668-L672 VanDerWaalsContact O-CG 3.3Å; V668-L672 WeakPolarHBondContact O-CG 3.41Å; V668-L672 PolarHBondContact O-N 2.98Å; G669-L672 WeakPolarHBondContact O-CB 3.32Å; G669-L672 PolarHBondContact O-N 3.44Å; G669-L672 VanDerWaalsContact O-N 3.15Å; L672-L675 PolarHBondContact O-N 3.41Å; L672-A676 WeakPolarHBondContact O-CB 3.5Å; L672-A676 PolarHBondContact O-N 2.91Å; L672-L697 HydrophobicContact CD2-CD2 3.54Å; L672-L700 HydrophobicContact CD2-CB 4.32Å; L672-L700 HydrophobicContact CD2-CD1 3.93Å; L672-Y715 HydrophobicContact CD1-CD1 4.07Å; L672-Y715 HydrophobicContact CD1-CE1 3.51Å; L672-L718 HydrophobicContact CD2-CD2 4.25Å |
| 673 | F | 86.8 | Confident | 81.3 | Confident | 77 Ų | 77 | 35.5 Ų | 35.5 | 34% | 0.338 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 175.6 | -84.6 | -68.2 | 0 | 0 | 0 | 112.5 | G669 A670 A671 A676 E677 F713 P714 Q717 | G669-F673 WeakPolarHBondContact O-CD2 3.39Å; G669-F673 PolarHBondContact O-N 2.92Å; A670-F673 WeakPolarHBondContact O-CB 3.44Å; A670-F673 PolarHBondContact O-N 3.26Å; A671-F673 VanDerWaalsContact C-N 3.32Å; A671-F673 PolarHBondContact O-N 3.37Å; F673-A676 WeakPolarHBondContact O-CB 3.09Å; F673-A676 PolarHBondContact O-N 3.44Å; F673-E677 PolarHBondContact O-N 3.43Å; F673-F713 HydrophobicContact CZ-CD1 4.43Å; F673-F713 HydrophobicContact CZ-CE1 4.26Å; F673-P714 HydrophobicContact CD2-CB 4.5Å; F673-P714 HydrophobicContact CE2-CB 3.79Å; F673-P714 HydrophobicContact CE2-CG 4.13Å; F673-P714 HydrophobicContact CZ-CB 4.24Å; F673-Q717 HydrophobicContact CE1-CB 3.7Å; F673-Q717 VanDerWaalsContact CE1-CD 3.47Å; F673-Q717 HydrophobicContact CE1-CG 3.9Å; F673-Q717 VanDerWaalsContact CE1-OE1 3.28Å; F673-Q717 HydrophobicContact CZ-CB 4.07Å; F673-Q717 HydrophobicContact CZ-CG 4.02Å |
| 674 | L | 89.6 | Confident | 81.7 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 179.6 | -70 | 172.4 | 0 | 0 | 0 | 112.1 | C622 L625 T626 A670 A671 A676 E677 V678 | C622-L674 HydrophobicContact CB-CD1 3.56Å; C622-L674 WeakPolarHBondContact SG-CD1 3.39Å; L625-L674 HydrophobicContact CD2-CB 3.85Å; T626-L674 HydrophobicContact CG2-CD2 3.82Å; A670-L674 WeakPolarHBondContact O-CG 3.19Å; A670-L674 PolarHBondContact O-N 3.46Å; A671-L674 PolarHBondContact O-N 3.42Å; L674-A676 VanDerWaalsContact C-N 3.28Å; L674-A676 PolarHBondContact O-N 3.23Å; L674-E677 WeakPolarHBondContact O-CB 3.46Å; L674-E677 PolarHBondContact O-N 2.97Å; L674-E677 VanDerWaalsContact O-N 3.15Å; L674-V678 WeakPolarHBondContact O-CG2 3.26Å; L674-V678 PolarHBondContact O-N 3.08Å |
| 675 | L | 91.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 174 | -72.1 | 176 | 0 | 0 | 0 | 111.5 | L625 V638 L641 A671 L672 V678 L679 V693 L697 L700 | L625-L675 HydrophobicContact CD2-CD2 4.25Å; V638-L675 HydrophobicContact CB-CD2 4.26Å; V638-L675 HydrophobicContact CG1-CD2 3.86Å; V638-L675 HydrophobicContact CG2-CD2 3.91Å; L641-L675 HydrophobicContact CD2-CG 4.43Å; A671-L675 WeakPolarHBondContact O-CB 3.33Å; A671-L675 VanDerWaalsContact O-CG 3.26Å; A671-L675 WeakPolarHBondContact O-CG 3.42Å; A671-L675 PolarHBondContact O-N 3.27Å; L672-L675 PolarHBondContact O-N 3.41Å; L675-V678 PolarHBondContact O-N 2.93Å; L675-L679 PolarHBondContact O-N 3.3Å; L675-V693 HydrophobicContact CB-CG1 4.17Å; L675-V693 HydrophobicContact CD2-CG2 4.42Å; L675-L697 HydrophobicContact CB-CD2 3.9Å; L675-L697 HydrophobicContact CD1-CD2 3.81Å; L675-L697 HydrophobicContact CD1-CG 4.42Å; L675-L700 HydrophobicContact CD1-CD1 4.12Å |
| 676 | A | 88.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L672 F673 L674 L679 G680 L718 T721 | L672-A676 WeakPolarHBondContact O-CB 3.5Å; L672-A676 PolarHBondContact O-N 2.91Å; F673-A676 WeakPolarHBondContact O-CB 3.09Å; F673-A676 PolarHBondContact O-N 3.44Å; L674-A676 VanDerWaalsContact C-N 3.28Å; L674-A676 PolarHBondContact O-N 3.23Å; A676-L679 WeakPolarHBondContact O-CB 3.47Å; A676-L679 PolarHBondContact O-N 3.16Å; A676-G680 PolarHBondContact O-N 3.46Å; A676-L718 HydrophobicContact CB-CD1 3.76Å; A676-T721 HydrophobicContact CB-CG2 3.97Å |
| 677 | E | 88.9 | Confident | 83.7 | Confident | 92 Ų | 92 | 37.9 Ų | 37.9 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 174.8 | -165.9 | -172.3 | 157 | 0 | 0 | 111.9 | F673 L674 L679 G680 K681 | F673-E677 PolarHBondContact O-N 3.43Å; L674-E677 WeakPolarHBondContact O-CB 3.46Å; L674-E677 PolarHBondContact O-N 2.97Å; L674-E677 VanDerWaalsContact O-N 3.15Å; E677-L679 VanDerWaalsContact C-N 3.31Å; E677-L679 PolarHBondContact O-N 3.46Å; E677-G680 WeakPolarHBondContact O-CA 3.49Å; E677-G680 PolarHBondContact O-N 2.79Å; E677-G680 VanDerWaalsContact O-N 3.09Å; E677-K681 PolarHBondContact O-N 3.46Å; E677-K681 WeakPolarHBondContact OE1-CE 3.41Å; E677-K681 IonicContact OE1-NZ 3.27Å; E677-K681 PolarHBondContact OE1-NZ 2.73Å |
| 678 | V | 90.5 | Very high | 84.3 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | L625 L634 L674 L675 G680 K681 N682 V689 V693 | L625-V678 HydrophobicContact CD1-CG2 3.95Å; L625-V678 HydrophobicContact CD2-CG2 4.09Å; L625-V678 HydrophobicContact CG-CG2 3.76Å; L634-V678 HydrophobicContact CD1-CG1 4.41Å; L634-V678 HydrophobicContact CD2-CG1 4.25Å; L634-V678 HydrophobicContact CG-CG1 4.49Å; L674-V678 WeakPolarHBondContact O-CG2 3.26Å; L674-V678 PolarHBondContact O-N 3.08Å; L675-V678 PolarHBondContact O-N 2.93Å; V678-G680 VanDerWaalsContact C-N 3.32Å; V678-G680 PolarHBondContact O-N 3.21Å; V678-K681 PolarHBondContact O-N 2.93Å; V678-N682 WeakPolarHBondContact O-CB 3.47Å; V678-N682 PolarHBondContact O-N 2.89Å; V678-N682 PolarHBondContact O-ND2 3.39Å; V678-V689 HydrophobicContact CG1-CG1 3.88Å; V678-V693 HydrophobicContact CG1-CG2 4.01Å |
| 679 | L | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.9 | -173.4 | 69.2 | 0 | 0 | 0 | 111.1 | L675 A676 E677 K681 K683 C690 V693 Y694 V722 V725 | L675-L679 PolarHBondContact O-N 3.3Å; A676-L679 WeakPolarHBondContact O-CB 3.47Å; A676-L679 PolarHBondContact O-N 3.16Å; E677-L679 VanDerWaalsContact C-N 3.31Å; E677-L679 PolarHBondContact O-N 3.46Å; L679-K681 PolarHBondContact O-N 2.76Å; L679-K683 WeakPolarHBondContact O-CB 3.39Å; L679-K683 PolarHBondContact O-N 3.21Å; L679-K683 VanDerWaalsContact O-N 3.11Å; L679-C690 HydrophobicContact CD1-CB 3.97Å; L679-V693 HydrophobicContact CB-CG1 4.23Å; L679-Y694 HydrophobicContact CD1-CE1 4.19Å; L679-Y694 HydrophobicContact CD1-CE2 3.95Å; L679-Y694 HydrophobicContact CD2-CE1 3.73Å; L679-V722 HydrophobicContact CD2-CG2 3.96Å; L679-V725 HydrophobicContact CD2-CB 4.37Å; L679-V725 HydrophobicContact CD2-CG1 4.37Å; L679-V725 HydrophobicContact CD2-CG2 3.98Å; L679-V725 HydrophobicContact CG-CG1 4.19Å; L679-V725 HydrophobicContact CG-CG2 3.94Å |
| 680 | G | 84.9 | Confident | 85.3 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A676 E677 V678 K683 | A676-G680 PolarHBondContact O-N 3.46Å; E677-G680 WeakPolarHBondContact O-CA 3.49Å; E677-G680 PolarHBondContact O-N 2.79Å; E677-G680 VanDerWaalsContact O-N 3.09Å; V678-G680 VanDerWaalsContact C-N 3.32Å; V678-G680 PolarHBondContact O-N 3.21Å; G680-K683 WeakPolarHBondContact O-CD 3.47Å; G680-K683 WeakPolarHBondContact O-CG 3.35Å |
| 681 | K | 84.3 | Confident | 85.8 | Confident | 123 Ų | 123 | 34.8 Ų | 34.8 | 54% | 0.535 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -73.4 | -41.2 | 178.2 | -72.9 | 176.3 | -177.4 | 165.6 | 0 | 112.7 | E677 V678 L679 | E677-K681 PolarHBondContact O-N 3.46Å; E677-K681 WeakPolarHBondContact OE1-CE 3.41Å; E677-K681 IonicContact OE1-NZ 3.27Å; E677-K681 PolarHBondContact OE1-NZ 2.73Å; V678-K681 PolarHBondContact O-N 2.93Å; L679-K681 PolarHBondContact O-N 2.76Å |
| 682 | N | 80.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -97.4 | 1 | -170.9 | -71.7 | -62.7 | 0 | 0 | 0 | 115.4 | V678 L684 S685 D686 V689 | V678-N682 WeakPolarHBondContact O-CB 3.47Å; V678-N682 PolarHBondContact O-N 2.89Å; V678-N682 PolarHBondContact O-ND2 3.39Å; N682-L684 PolarHBondContact O-N 2.94Å; N682-S685 PolarHBondContact O-N 3.2Å; N682-S685 VanDerWaalsContact O-N 3.11Å; N682-D686 HydrophobicContact CB-CB 4.39Å; N682-D686 PolarHBondContact O-N 2.51Å; N682-V689 HydrophobicContact CB-CG1 4.43Å |
| 683 | K | 71 | Confident | 86.4 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 26% | 0.261 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -18.2 | -174.2 | 59.5 | 177.9 | -170.2 | 173.1 | 0 | 117 | L679 G680 V725 S728 Q729 | L679-K683 WeakPolarHBondContact O-CB 3.39Å; L679-K683 PolarHBondContact O-N 3.21Å; L679-K683 VanDerWaalsContact O-N 3.11Å; G680-K683 WeakPolarHBondContact O-CD 3.47Å; G680-K683 WeakPolarHBondContact O-CG 3.35Å; K683-V725 HydrophobicContact CB-CG1 4.06Å; K683-S728 WeakPolarHBondContact CD-OG 3.31Å; K683-S728 PolarHBondContact NZ-OG 3.43Å; K683-S728 VanDerWaalsContact NZ-OG 3.08Å; K683-Q729 HydrophobicContact CB-CG 4.49Å; K683-Q729 PolarHBondContact O-NE2 3.43Å |
| 684 | L | 66.4 | Low | 86.8 | Confident | 90 Ų | 90 | 31.2 Ų | 31.2 | 47% | 0.471 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -11.7 | -179.4 | -61.2 | -176.2 | 0 | 0 | 0 | 115.5 | N682 L732 | N682-L684 PolarHBondContact O-N 2.94Å; L684-L732 HydrophobicContact CD1-CD2 4Å; L684-L732 HydrophobicContact CD2-CD1 3.32Å; L684-L732 HydrophobicContact CD2-CD2 3.73Å; L684-L732 HydrophobicContact CD2-CG 3.95Å |
| 685 | S | 74.2 | Confident | 86.9 | Confident | 86 Ų | 86 | 30 Ų | 30 | 60% | 0.601 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -41.5 | -168.8 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | N682 | N682-S685 PolarHBondContact O-N 3.2Å; N682-S685 VanDerWaalsContact O-N 3.11Å |
| 686 | D | 85.8 | Confident | 86.9 | Confident | 29 Ų | 29 | 30 Ų | 30 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | trans | -130.7 | 88.1 | -167.8 | -161.3 | -28 | 0 | 0 | 0 | 112.3 | S631 N682 A688 V689 C690 | S631-D686 WeakPolarHBondContact CB-OD2 3.33Å; S631-D686 VanDerWaalsContact OG-CG 3.27Å; S631-D686 PolarHBondContact OG-OD1 3.43Å; S631-D686 PolarHBondContact OG-OD2 2.91Å; N682-D686 HydrophobicContact CB-CB 4.39Å; N682-D686 PolarHBondContact O-N 2.51Å; D686-A688 VanDerWaalsContact C-N 3.33Å; D686-A688 PolarHBondContact O-N 2.57Å; D686-A688 PolarHBondContact OD1-N 2.64Å; D686-V689 HydrophobicContact CB-CB 4.07Å; D686-V689 HydrophobicContact CB-CG2 4.11Å; D686-V689 PolarHBondContact O-N 2.77Å; D686-V689 WeakPolarHBondContact OD1-CG2 3.29Å; D686-V689 PolarHBondContact OD1-N 3Å; D686-V689 VanDerWaalsContact OD1-N 3.13Å; D686-V689 WeakPolarHBondContact OD2-CG2 3.4Å; D686-C690 PolarHBondContact O-N 3.09Å; D686-C690 VanDerWaalsContact O-N 3.13Å; D686-C690 PolarHBondContact O-SG 2.94Å | ||
| 687 | F | 88.8 | Confident | 87.1 | Confident | 45 Ų | 45 | 29.8 Ų | 29.8 | 20% | 0.197 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | -178.2 | -54 | -58.9 | 0 | 0 | 0 | 112.5 | C690 L691 D740 L741 T744 | F687-C690 PolarHBondContact O-N 3.02Å; F687-L691 WeakPolarHBondContact O-CG 3.35Å; F687-L691 PolarHBondContact O-N 3.35Å; F687-D740 HydrophobicContact CB-CB 4.36Å; F687-D740 HydrophobicContact CD2-CB 3.47Å; F687-D740 VanDerWaalsContact CD2-CB 3.47Å; F687-D740 HydrophobicContact CE2-CB 3.91Å; F687-D740 HydrophobicContact CG-CB 3.93Å; F687-L741 HydrophobicContact CE1-CB 3.8Å; F687-L741 HydrophobicContact CE1-CD1 3.74Å; F687-L741 HydrophobicContact CE1-CG 4.41Å; F687-L741 HydrophobicContact CZ-CB 3.98Å; F687-L741 HydrophobicContact CZ-CD1 4.43Å; F687-T744 WeakPolarHBondContact CD1-OG1 3.4Å |
| 688 | A | 89.5 | Confident | 87 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.1 | -38.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D686 S692 | D686-A688 VanDerWaalsContact C-N 3.33Å; D686-A688 PolarHBondContact O-N 2.57Å; D686-A688 PolarHBondContact OD1-N 2.64Å; A688-S692 PolarHBondContact O-N 2.9Å; A688-S692 PolarHBondContact O-OG 3.1Å |
| 689 | V | 92.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 169.6 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L634 Q635 V678 N682 D686 L691 S692 V693 | L634-V689 HydrophobicContact CB-CG2 4.17Å; L634-V689 HydrophobicContact CD2-CB 4.45Å; L634-V689 HydrophobicContact CD2-CG1 3.67Å; L634-V689 HydrophobicContact CD2-CG2 3.95Å; L634-V689 HydrophobicContact CG-CG1 3.94Å; L634-V689 HydrophobicContact CG-CG2 4.15Å; Q635-V689 HydrophobicContact CG-CB 4.47Å; Q635-V689 HydrophobicContact CG-CG2 3.81Å; V678-V689 HydrophobicContact CG1-CG1 3.88Å; N682-V689 HydrophobicContact CB-CG1 4.43Å; D686-V689 HydrophobicContact CB-CB 4.07Å; D686-V689 HydrophobicContact CB-CG2 4.11Å; D686-V689 PolarHBondContact O-N 2.77Å; D686-V689 WeakPolarHBondContact OD1-CG2 3.29Å; D686-V689 PolarHBondContact OD1-N 3Å; D686-V689 VanDerWaalsContact OD1-N 3.13Å; D686-V689 WeakPolarHBondContact OD2-CG2 3.4Å; V689-L691 VanDerWaalsContact C-N 3.31Å; V689-L691 PolarHBondContact O-N 3.29Å; V689-S692 PolarHBondContact O-N 3.09Å; V689-S692 VanDerWaalsContact O-N 3.12Å; V689-V693 HydrophobicContact CG1-CG2 4.46Å; V689-V693 WeakPolarHBondContact O-CG2 3.04Å; V689-V693 PolarHBondContact O-N 3.26Å |
| 690 | C | 91.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.8 | -42.8 | 179.3 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | L679 D686 F687 V693 Y694 T744 | L679-C690 HydrophobicContact CD1-CB 3.97Å; D686-C690 PolarHBondContact O-N 3.09Å; D686-C690 VanDerWaalsContact O-N 3.13Å; D686-C690 PolarHBondContact O-SG 2.94Å; F687-C690 PolarHBondContact O-N 3.02Å; C690-V693 WeakPolarHBondContact O-CB 3.3Å; C690-V693 PolarHBondContact O-N 3.1Å; C690-Y694 WeakPolarHBondContact O-CD2 3.23Å; C690-Y694 PolarHBondContact O-N 3.23Å; C690-T744 HydrophobicContact CB-CG2 3.56Å |
| 691 | L | 93.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 176 | -68.7 | 175.4 | 0 | 0 | 0 | 112.4 | F687 V689 V693 Y694 D695 A747 L1278 L1312 | F687-L691 WeakPolarHBondContact O-CG 3.35Å; F687-L691 PolarHBondContact O-N 3.35Å; V689-L691 VanDerWaalsContact C-N 3.31Å; V689-L691 PolarHBondContact O-N 3.29Å; L691-V693 VanDerWaalsContact C-N 3.27Å; L691-V693 PolarHBondContact O-N 2.82Å; L691-Y694 PolarHBondContact O-N 2.87Å; L691-D695 WeakPolarHBondContact O-CB 3.21Å; L691-D695 VanDerWaalsContact O-CG 3.26Å; L691-D695 PolarHBondContact O-N 2.84Å; L691-A747 HydrophobicContact CD2-CB 3.4Å; L691-A747 VanDerWaalsContact CD2-CB 3.4Å; L691-L1278 HydrophobicContact CD1-CB 3.8Å; L691-L1278 HydrophobicContact CD1-CD1 4.18Å; L691-L1278 HydrophobicContact CD1-CD2 3.77Å; L691-L1278 HydrophobicContact CD1-CG 4.12Å; L691-L1312 HydrophobicContact CD1-CD1 4.38Å; L691-L1312 HydrophobicContact CD2-CD1 3.62Å |
| 692 | S | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.8 | -33.4 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | V638 A688 V689 S696 R1309 | V638-S692 WeakPolarHBondContact CG1-O 3.4Å; A688-S692 PolarHBondContact O-N 2.9Å; A688-S692 PolarHBondContact O-OG 3.1Å; V689-S692 PolarHBondContact O-N 3.09Å; V689-S692 VanDerWaalsContact O-N 3.12Å; S692-S696 VanDerWaalsContact O-CB 3.26Å; S692-S696 WeakPolarHBondContact O-CB 3.31Å; S692-S696 PolarHBondContact O-N 3.4Å; S692-S696 PolarHBondContact O-OG 2.67Å; S692-R1309 VanDerWaalsContact CA-NH2 3.3Å; S692-R1309 PolarHBondContact OG-NH2 2.88Å |
| 693 | V | 94.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -49.2 | 170.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | V638 L675 V678 L679 V689 C690 L691 D695 S696 L697 | V638-V693 HydrophobicContact CG1-CG2 4.09Å; V638-V693 HydrophobicContact CG2-CG2 3.95Å; L675-V693 HydrophobicContact CB-CG1 4.17Å; L675-V693 HydrophobicContact CD2-CG2 4.42Å; V678-V693 HydrophobicContact CG1-CG2 4.01Å; L679-V693 HydrophobicContact CB-CG1 4.23Å; V689-V693 HydrophobicContact CG1-CG2 4.46Å; V689-V693 WeakPolarHBondContact O-CG2 3.04Å; V689-V693 PolarHBondContact O-N 3.26Å; C690-V693 WeakPolarHBondContact O-CB 3.3Å; C690-V693 PolarHBondContact O-N 3.1Å; L691-V693 VanDerWaalsContact C-N 3.27Å; L691-V693 PolarHBondContact O-N 2.82Å; V693-D695 VanDerWaalsContact C-N 3.34Å; V693-D695 PolarHBondContact O-N 2.84Å; V693-S696 WeakPolarHBondContact O-CB 3.43Å; V693-S696 PolarHBondContact O-N 3.1Å; V693-L697 HydrophobicContact CG1-CD1 3.72Å; V693-L697 HydrophobicContact CG1-CG 4.1Å; V693-L697 WeakPolarHBondContact O-CB 3.23Å; V693-L697 VanDerWaalsContact O-CG 3.23Å; V693-L697 WeakPolarHBondContact O-CG 3.35Å; V693-L697 PolarHBondContact O-N 3.42Å |
| 694 | Y | 93.7 | Very high | 85.4 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 178.2 | -69.4 | -53.8 | 0 | 0 | 0 | 113.4 | L679 C690 L691 S698 V722 T744 A747 A748 F751 | L679-Y694 HydrophobicContact CD1-CE1 4.19Å; L679-Y694 HydrophobicContact CD1-CE2 3.95Å; L679-Y694 HydrophobicContact CD2-CE1 3.73Å; C690-Y694 WeakPolarHBondContact O-CD2 3.23Å; C690-Y694 PolarHBondContact O-N 3.23Å; L691-Y694 PolarHBondContact O-N 2.87Å; Y694-S698 VanDerWaalsContact O-CB 3.29Å; Y694-S698 WeakPolarHBondContact O-CB 3.45Å; Y694-S698 PolarHBondContact O-N 3.41Å; Y694-S698 PolarHBondContact O-OG 3.3Å; Y694-V722 HydrophobicContact CE1-CG1 4.12Å; Y694-V722 HydrophobicContact CE1-CG2 4.17Å; Y694-T744 HydrophobicContact CE2-CG2 3.98Å; Y694-A747 HydrophobicContact CD2-CB 4Å; Y694-A748 HydrophobicContact CE1-CB 3.96Å; Y694-A748 HydrophobicContact CE2-CB 3.98Å; Y694-A748 VanDerWaalsContact CZ-CB 3.45Å; Y694-A748 WeakPolarHBondContact OH-CB 3.31Å; Y694-F751 HydrophobicContact CD1-CB 3.88Å; Y694-F751 HydrophobicContact CD1-CD1 4.27Å; Y694-F751 AromaticContact CD1-CG 3.94Å; Y694-F751 HydrophobicContact CD1-CG 3.94Å; Y694-F751 HydrophobicContact CE1-CB 4.5Å; Y694-F751 HydrophobicContact CE1-CD1 4.48Å; Y694-F751 HydrophobicContact CG-CB 4.5Å |
| 695 | D | 92 | Very high | 84.8 | Confident | 10 Ų | 10 | 17.2 Ų | 17.2 | 5% | 0.053 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 174.3 | -72.9 | -11.3 | 0 | 0 | 0 | 111.3 | L691 V693 S698 T699 N1305 R1309 | L691-D695 WeakPolarHBondContact O-CB 3.21Å; L691-D695 VanDerWaalsContact O-CG 3.26Å; L691-D695 PolarHBondContact O-N 2.84Å; V693-D695 VanDerWaalsContact C-N 3.34Å; V693-D695 PolarHBondContact O-N 2.84Å; D695-S698 PolarHBondContact O-N 3.08Å; D695-T699 WeakPolarHBondContact O-CB 3.46Å; D695-T699 PolarHBondContact O-N 3.46Å; D695-T699 PolarHBondContact O-OG1 2.77Å; D695-N1305 HydrophobicContact CB-CB 4.12Å; D695-R1309 IonicContact OD2-CZ 2.94Å; D695-R1309 IonicContact OD2-NE 2.77Å; D695-R1309 PolarHBondContact OD2-NE 3.03Å; D695-R1309 IonicContact OD2-NH2 3.7Å; D695-R1309 PolarHBondContact OD2-NH2 2.9Å |
| 696 | S | 92.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.6 | -47.1 | 177.9 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | V638 A642 S692 V693 S698 T699 L700 | V638-S696 VanDerWaalsContact CG1-OG 3.23Å; V638-S696 WeakPolarHBondContact CG1-OG 3.26Å; A642-S696 WeakPolarHBondContact CB-OG 3.29Å; S692-S696 VanDerWaalsContact O-CB 3.26Å; S692-S696 WeakPolarHBondContact O-CB 3.31Å; S692-S696 PolarHBondContact O-N 3.4Å; S692-S696 PolarHBondContact O-OG 2.67Å; V693-S696 WeakPolarHBondContact O-CB 3.43Å; V693-S696 PolarHBondContact O-N 3.1Å; S696-S698 PolarHBondContact O-N 2.99Å; S696-T699 WeakPolarHBondContact O-CB 3.36Å; S696-T699 PolarHBondContact O-N 3.06Å; S696-L700 WeakPolarHBondContact O-CG 3.47Å; S696-L700 PolarHBondContact O-N 2.85Å |
| 697 | L | 91.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 177 | -65.9 | 171.6 | 0 | 0 | 0 | 111.3 | L672 L675 V693 T699 L700 I701 L718 F751 | L672-L697 HydrophobicContact CD2-CD2 3.54Å; L675-L697 HydrophobicContact CB-CD2 3.9Å; L675-L697 HydrophobicContact CD1-CD2 3.81Å; L675-L697 HydrophobicContact CD1-CG 4.42Å; V693-L697 HydrophobicContact CG1-CD1 3.72Å; V693-L697 HydrophobicContact CG1-CG 4.1Å; V693-L697 WeakPolarHBondContact O-CB 3.23Å; V693-L697 VanDerWaalsContact O-CG 3.23Å; V693-L697 WeakPolarHBondContact O-CG 3.35Å; V693-L697 PolarHBondContact O-N 3.42Å; L697-T699 PolarHBondContact O-N 3.5Å; L697-L700 PolarHBondContact O-N 2.79Å; L697-I701 VanDerWaalsContact O-CG1 3.3Å; L697-I701 WeakPolarHBondContact O-CG1 3.48Å; L697-I701 PolarHBondContact O-N 3.49Å; L697-L718 HydrophobicContact CD1-CD1 3.85Å; L697-L718 HydrophobicContact CD1-CD2 4.45Å; L697-L718 HydrophobicContact CD2-CD1 4.09Å; L697-L718 HydrophobicContact CD2-CD2 3.94Å; L697-F751 HydrophobicContact CB-CD2 4.01Å; L697-F751 HydrophobicContact CB-CE2 3.32Å; L697-F751 HydrophobicContact CB-CZ 3.87Å; L697-F751 HydrophobicContact CD1-CE2 4.25Å; L697-F751 HydrophobicContact CD1-CZ 4.14Å; L697-F751 HydrophobicContact CG-CE2 4.41Å |
| 698 | S | 88.3 | Confident | 80.3 | Confident | 22 Ų | 22 | 22.1 Ų | 22.1 | 15% | 0.154 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -37.3 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | Y694 D695 S696 A702 | Y694-S698 VanDerWaalsContact O-CB 3.29Å; Y694-S698 WeakPolarHBondContact O-CB 3.45Å; Y694-S698 PolarHBondContact O-N 3.41Å; Y694-S698 PolarHBondContact O-OG 3.3Å; D695-S698 PolarHBondContact O-N 3.08Å; S696-S698 PolarHBondContact O-N 2.99Å; S698-A702 PolarHBondContact O-N 3.29Å |
| 699 | T | 87.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.8 | -43.4 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | F646 D695 S696 L697 A702 P1283 H1301 N1305 | F646-T699 HydrophobicContact CD2-CG2 3.44Å; F646-T699 VanDerWaalsContact CD2-CG2 3.44Å; F646-T699 HydrophobicContact CE2-CG2 3.87Å; F646-T699 HydrophobicContact CG-CG2 4.42Å; D695-T699 WeakPolarHBondContact O-CB 3.46Å; D695-T699 PolarHBondContact O-N 3.46Å; D695-T699 PolarHBondContact O-OG1 2.77Å; S696-T699 WeakPolarHBondContact O-CB 3.36Å; S696-T699 PolarHBondContact O-N 3.06Å; L697-T699 PolarHBondContact O-N 3.5Å; T699-A702 PolarHBondContact O-N 3.27Å; T699-P1283 HydrophobicContact CG2-CB 4.08Å; T699-P1283 HydrophobicContact CG2-CG 3.83Å; T699-H1301 HydrophobicContact CG2-CB 4.17Å; T699-N1305 PolarHBondContact OG1-ND2 2.73Å |
| 700 | L | 86.8 | Confident | 76.8 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.5 | -39.5 | -179.9 | -66.8 | 178.8 | 0 | 0 | 0 | 113 | C645 F646 L672 L675 S696 L697 A702 | C645-L700 HydrophobicContact CB-CD1 4.31Å; C645-L700 HydrophobicContact CB-CD2 3.42Å; C645-L700 VanDerWaalsContact CB-CD2 3.42Å; F646-L700 HydrophobicContact CB-CD2 4.48Å; L672-L700 HydrophobicContact CD2-CB 4.32Å; L672-L700 HydrophobicContact CD2-CD1 3.93Å; L675-L700 HydrophobicContact CD1-CD1 4.12Å; S696-L700 WeakPolarHBondContact O-CG 3.47Å; S696-L700 PolarHBondContact O-N 2.85Å; L697-L700 PolarHBondContact O-N 2.79Å; L700-A702 PolarHBondContact O-N 2.96Å |
| 701 | I | 81.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -27.1 | 177.5 | -64.7 | 172.9 | 0 | 0 | 0 | 111.1 | L697 I703 F704 Y715 F751 M755 R758 L759 | L697-I701 VanDerWaalsContact O-CG1 3.3Å; L697-I701 WeakPolarHBondContact O-CG1 3.48Å; L697-I701 PolarHBondContact O-N 3.49Å; I701-I703 VanDerWaalsContact C-N 3.33Å; I701-I703 PolarHBondContact O-N 2.81Å; I701-F704 PolarHBondContact O-N 3.05Å; I701-Y715 HydrophobicContact CG1-CD1 4.44Å; I701-Y715 HydrophobicContact CG1-CE1 4.15Å; I701-F751 HydrophobicContact CD1-CE2 3.45Å; I701-F751 VanDerWaalsContact CD1-CE2 3.45Å; I701-F751 HydrophobicContact CD1-CZ 3.51Å; I701-M755 HydrophobicContact CD1-CB 4.06Å; I701-M755 HydrophobicContact CD1-CG 3.96Å; I701-M755 HydrophobicContact CD1-SD 4.32Å; I701-R758 HydrophobicContact CG2-CB 3.86Å; I701-R758 HydrophobicContact CG2-CG 4.44Å; I701-L759 HydrophobicContact CG2-CD1 4.15Å; I701-L759 HydrophobicContact CG2-CG 4.34Å |
| 702 | A | 75.8 | Confident | 74.8 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -25.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S698 T699 L700 H1301 | S698-A702 PolarHBondContact O-N 3.29Å; T699-A702 PolarHBondContact O-N 3.27Å; L700-A702 PolarHBondContact O-N 2.96Å; A702-H1301 WeakPolarHBondContact CB-CE1 3.5Å |
| 703 | I | 67.7 | Low | 74.2 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -27.6 | -179.3 | -60.4 | 164.5 | 0 | 0 | 0 | 112.4 | F646 L649 I701 P705 | F646-I703 HydrophobicContact CB-CD1 4.1Å; F646-I703 HydrophobicContact CD1-CD1 3.63Å; F646-I703 HydrophobicContact CD2-CD1 3.05Å; F646-I703 HydrophobicContact CD2-CG1 3.89Å; F646-I703 HydrophobicContact CE1-CD1 3.72Å; F646-I703 HydrophobicContact CE2-CD1 3.15Å; F646-I703 HydrophobicContact CE2-CG1 3.52Å; F646-I703 HydrophobicContact CG-CD1 3.32Å; F646-I703 HydrophobicContact CZ-CD1 3.49Å; F646-I703 VanDerWaalsContact CZ-CD1 3.49Å; F646-I703 HydrophobicContact CZ-CG1 3.87Å; L649-I703 HydrophobicContact CB-CB 4.38Å; L649-I703 HydrophobicContact CB-CD1 4.12Å; L649-I703 HydrophobicContact CB-CG2 3.9Å; L649-I703 HydrophobicContact CD1-CB 4.36Å; L649-I703 HydrophobicContact CD1-CD1 4.48Å; I701-I703 VanDerWaalsContact C-N 3.33Å; I701-I703 PolarHBondContact O-N 2.81Å; I703-P705 WeakPolarHBondContact O-CD 3.45Å |
| 704 | F | 65.8 | Low | 73.6 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | trans | -76.2 | 115 | -161.6 | -155.2 | -83.1 | 0 | 0 | 0 | 112.4 | L649 H665 I701 A706 E711 Y715 | L649-F704 HydrophobicContact CD1-CD2 4.46Å; L649-F704 HydrophobicContact CD2-CD2 3.95Å; L649-F704 HydrophobicContact CD2-CE2 4.29Å; H665-F704 AromaticContact CE1-CE2 3.5Å; H665-F704 VanDerWaalsContact CE1-CE2 3.5Å; H665-F704 WeakPolarHBondContact CE1-CE2 3.18Å; H665-F704 AromaticContact CE1-CZ 3.39Å; H665-F704 WeakPolarHBondContact CE1-CZ 3.49Å; H665-F704 AromaticContact ND1-CE2 2.95Å; H665-F704 WeakPolarHBondContact ND1-CE2 3.29Å; H665-F704 AromaticContact ND1-CZ 2.95Å; H665-F704 WeakPolarHBondContact ND1-CZ 3.27Å; I701-F704 PolarHBondContact O-N 3.05Å; F704-A706 PolarHBondContact O-N 2.89Å; F704-E711 HydrophobicContact CE1-CB 4.47Å; F704-Y715 HydrophobicContact CD1-CE2 4.48Å; F704-Y715 WeakPolarHBondContact CD2-OH 3.34Å; F704-Y715 HydrophobicContact CE1-CE2 4.28Å; F704-Y715 VanDerWaalsContact CE2-OH 3.29Å; F704-Y715 WeakPolarHBondContact CE2-OH 3.32Å; F704-Y715 VanDerWaalsContact CG-OH 3.25Å; F704-Y715 WeakPolarHBondContact CG-OH 3.5Å; F704-Y715 HydrophobicContact CZ-CE2 4.3Å | ||
| 705 | P | 53.9 | Low | 73.2 | Confident | 79 Ų | 79 | 43.9 Ų | 43.9 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | trans | -82.5 | 102.3 | 167.6 | 31.1 | -23.5 | 0 | 0 | 0 | 107.7 | I703 K707 | I703-P705 WeakPolarHBondContact O-CD 3.45Å; P705-K707 PolarHBondContact O-N 2.78Å | ||
| 706 | A | 51 | Low | 73 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | trans | -63.5 | 108.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | F704 L759 | F704-A706 PolarHBondContact O-N 2.89Å; A706-L759 HydrophobicContact CB-CD2 3.74Å | ||
| 707 | K | 52 | Low | 72.8 | Confident | 190 Ų | 190 | 48.9 Ų | 48.9 | 83% | 0.826 | 27% | 0.272 | S | S | * | . | trans | -105.1 | -21.2 | 178 | -74 | -171.4 | 177.5 | -174.7 | 0 | 112.9 | P705 E711 | P705-K707 PolarHBondContact O-N 2.78Å; K707-E711 PolarHBondContact N-OE2 3.49Å | ||
| 708 | G | 52.5 | Low | 72.7 | Confident | 30 Ų | 30 | 49 Ų | 49 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | trans | -132.5 | 155 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | E711 | G708-E711 PolarHBondContact N-OE2 3.16Å; G708-E711 PolarHBondContact O-N 3.36Å | ||
| 709 | S | 50.8 | Low | 73 | Confident | 99 Ų | 99 | 48 Ų | 48 | 69% | 0.692 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -67.8 | -39.9 | -179.8 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | E711 L712 | S709-E711 PolarHBondContact O-N 3.34Å; S709-L712 PolarHBondContact O-N 2.98Å |
| 710 | N | 56.6 | Low | 73.3 | Confident | 151 Ų | 151 | 51.1 Ų | 51.1 | 81% | 0.807 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -69 | -17.3 | 178.3 | -77.3 | -9.6 | 0 | 0 | 0 | 113.3 | L712 | N710-L712 VanDerWaalsContact C-N 3.28Å; N710-L712 PolarHBondContact O-N 3.36Å |
| 711 | E | 65.9 | Low | 73.5 | Confident | 64 Ų | 64 | 53 Ų | 53 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -79.4 | -11.5 | 179.1 | -59.6 | 179.9 | 158.1 | 0 | 0 | 112.6 | F704 K707 G708 S709 Y715 | F704-E711 HydrophobicContact CE1-CB 4.47Å; K707-E711 PolarHBondContact N-OE2 3.49Å; G708-E711 PolarHBondContact N-OE2 3.16Å; G708-E711 PolarHBondContact O-N 3.36Å; S709-E711 PolarHBondContact O-N 3.34Å; E711-Y715 WeakPolarHBondContact O-CD2 3.37Å; E711-Y715 WeakPolarHBondContact O-CE2 2.86Å |
| 712 | L | 77 | Confident | 74.1 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -82.5 | -22.6 | -176.2 | -76 | 154.3 | 0 | 0 | 0 | 113.7 | S709 N710 Y715 E716 S761 L762 | S709-L712 PolarHBondContact O-N 2.98Å; N710-L712 VanDerWaalsContact C-N 3.28Å; N710-L712 PolarHBondContact O-N 3.36Å; L712-Y715 WeakPolarHBondContact O-CA 3.24Å; L712-Y715 VanDerWaalsContact O-CB 3.32Å; L712-Y715 WeakPolarHBondContact O-CB 3.49Å; L712-Y715 PolarHBondContact O-N 2.93Å; L712-E716 PolarHBondContact O-N 3.42Å; L712-S761 WeakPolarHBondContact CD1-OG 3.41Å; L712-S761 WeakPolarHBondContact CD2-OG 3.45Å; L712-L762 HydrophobicContact CD2-CD2 3.87Å; L712-L762 HydrophobicContact CD2-CG 4.19Å |
| 713 | F | 81.1 | Confident | 74.9 | Confident | 111 Ų | 111 | 51.8 Ų | 51.8 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.1 | -45 | -173.4 | 176.5 | -101.1 | 0 | 0 | 0 | 115.1 | F673 Y715 E716 Q717 | F673-F713 HydrophobicContact CZ-CD1 4.43Å; F673-F713 HydrophobicContact CZ-CE1 4.26Å; F713-Y715 PolarHBondContact O-N 3.26Å; F713-E716 PolarHBondContact O-N 2.86Å; F713-Q717 HydrophobicContact CE1-CG 4.23Å; F713-Q717 HydrophobicContact CE2-CG 4.32Å; F713-Q717 HydrophobicContact CZ-CG 4.18Å; F713-Q717 WeakPolarHBondContact O-CG 3.47Å; F713-Q717 PolarHBondContact O-N 3.49Å |
| 714 | P | 81.3 | Confident | 76.1 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 175.5 | -22.9 | 34.6 | 0 | 0 | 0 | 112.9 | F673 L718 | F673-P714 HydrophobicContact CD2-CB 4.5Å; F673-P714 HydrophobicContact CE2-CB 3.79Å; F673-P714 HydrophobicContact CE2-CG 4.13Å; F673-P714 HydrophobicContact CZ-CB 4.24Å; P714-L718 WeakPolarHBondContact O-CB 3.11Å; P714-L718 PolarHBondContact O-N 2.87Å |
| 715 | Y | 85.7 | Confident | 77.3 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.9 | -38.7 | 178.3 | -60 | -79.4 | 0 | 0 | 0 | 111.6 | L672 I701 F704 E711 L712 F713 Q717 L718 L719 M755 L759 | L672-Y715 HydrophobicContact CD1-CD1 4.07Å; L672-Y715 HydrophobicContact CD1-CE1 3.51Å; I701-Y715 HydrophobicContact CG1-CD1 4.44Å; I701-Y715 HydrophobicContact CG1-CE1 4.15Å; F704-Y715 HydrophobicContact CD1-CE2 4.48Å; F704-Y715 WeakPolarHBondContact CD2-OH 3.34Å; F704-Y715 HydrophobicContact CE1-CE2 4.28Å; F704-Y715 VanDerWaalsContact CE2-OH 3.29Å; F704-Y715 WeakPolarHBondContact CE2-OH 3.32Å; F704-Y715 VanDerWaalsContact CG-OH 3.25Å; F704-Y715 WeakPolarHBondContact CG-OH 3.5Å; F704-Y715 HydrophobicContact CZ-CE2 4.3Å; E711-Y715 WeakPolarHBondContact O-CD2 3.37Å; E711-Y715 WeakPolarHBondContact O-CE2 2.86Å; L712-Y715 WeakPolarHBondContact O-CA 3.24Å; L712-Y715 VanDerWaalsContact O-CB 3.32Å; L712-Y715 WeakPolarHBondContact O-CB 3.49Å; L712-Y715 PolarHBondContact O-N 2.93Å; F713-Y715 PolarHBondContact O-N 3.26Å; Y715-Q717 VanDerWaalsContact C-N 3.33Å; Y715-Q717 PolarHBondContact O-N 3.47Å; Y715-L718 PolarHBondContact O-N 2.83Å; Y715-L719 WeakPolarHBondContact O-CB 3.35Å; Y715-L719 PolarHBondContact O-N 3.44Å; Y715-M755 HydrophobicContact CD1-CE 4.31Å; Y715-M755 HydrophobicContact CG-CE 4.5Å; Y715-M755 WeakPolarHBondContact O-CE 3.21Å; Y715-L759 HydrophobicContact CD1-CD1 3.61Å; Y715-L759 HydrophobicContact CD2-CD1 4.4Å; Y715-L759 HydrophobicContact CE1-CD1 4.1Å; Y715-L759 HydrophobicContact CG-CD1 3.78Å |
| 716 | E | 88.7 | Confident | 79.2 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 171.4 | -63.7 | -176.6 | 164.5 | 0 | 0 | 110.5 | L712 F713 L718 L719 F720 L762 N765 | L712-E716 PolarHBondContact O-N 3.42Å; F713-E716 PolarHBondContact O-N 2.86Å; E716-L718 VanDerWaalsContact C-N 3.33Å; E716-L718 PolarHBondContact O-N 3.38Å; E716-L719 WeakPolarHBondContact O-CB 3.38Å; E716-L719 PolarHBondContact O-N 2.88Å; E716-F720 HydrophobicContact CB-CE2 4.16Å; E716-F720 WeakPolarHBondContact O-CD2 3.47Å; E716-F720 WeakPolarHBondContact O-CG 3.38Å; E716-F720 PolarHBondContact O-N 2.85Å; E716-L762 HydrophobicContact CG-CD2 3.73Å; E716-N765 PolarHBondContact OE1-ND2 3.42Å; E716-N765 PolarHBondContact OE2-ND2 3.27Å |
| 717 | Q | 87.2 | Confident | 81.1 | Confident | 75 Ų | 75 | 53 Ų | 53 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 175.9 | -69.5 | -132.3 | 19 | 0 | 0 | 113 | F673 F713 Y715 F720 T721 | F673-Q717 HydrophobicContact CE1-CB 3.7Å; F673-Q717 VanDerWaalsContact CE1-CD 3.47Å; F673-Q717 HydrophobicContact CE1-CG 3.9Å; F673-Q717 VanDerWaalsContact CE1-OE1 3.28Å; F673-Q717 HydrophobicContact CZ-CB 4.07Å; F673-Q717 HydrophobicContact CZ-CG 4.02Å; F713-Q717 HydrophobicContact CE1-CG 4.23Å; F713-Q717 HydrophobicContact CE2-CG 4.32Å; F713-Q717 HydrophobicContact CZ-CG 4.18Å; F713-Q717 WeakPolarHBondContact O-CG 3.47Å; F713-Q717 PolarHBondContact O-N 3.49Å; Y715-Q717 VanDerWaalsContact C-N 3.33Å; Y715-Q717 PolarHBondContact O-N 3.47Å; Q717-F720 PolarHBondContact O-N 2.83Å; Q717-T721 WeakPolarHBondContact O-CB 3.15Å; Q717-T721 PolarHBondContact O-N 3.33Å; Q717-T721 PolarHBondContact O-OG1 2.96Å |
| 718 | L | 90.3 | Very high | 82.9 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.3 | -179.6 | 62.6 | 0 | 0 | 0 | 111.3 | L672 A676 L697 P714 Y715 E716 F720 T721 V722 F751 M755 | L672-L718 HydrophobicContact CD2-CD2 4.25Å; A676-L718 HydrophobicContact CB-CD1 3.76Å; L697-L718 HydrophobicContact CD1-CD1 3.85Å; L697-L718 HydrophobicContact CD1-CD2 4.45Å; L697-L718 HydrophobicContact CD2-CD1 4.09Å; L697-L718 HydrophobicContact CD2-CD2 3.94Å; P714-L718 WeakPolarHBondContact O-CB 3.11Å; P714-L718 PolarHBondContact O-N 2.87Å; Y715-L718 PolarHBondContact O-N 2.83Å; E716-L718 VanDerWaalsContact C-N 3.33Å; E716-L718 PolarHBondContact O-N 3.38Å; L718-F720 PolarHBondContact O-N 2.9Å; L718-T721 PolarHBondContact O-N 3.47Å; L718-V722 HydrophobicContact CD1-CG2 4.38Å; L718-V722 WeakPolarHBondContact O-CG2 3.45Å; L718-V722 PolarHBondContact O-N 3.01Å; L718-F751 HydrophobicContact CD2-CE1 4.41Å; L718-F751 HydrophobicContact CD2-CZ 3.76Å; L718-F751 HydrophobicContact CG-CE1 4.38Å; L718-F751 HydrophobicContact CG-CZ 4.21Å; L718-M755 HydrophobicContact CB-CE 4.4Å; L718-M755 HydrophobicContact CD2-CE 4.4Å |
| 719 | L | 93.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.6 | -49.8 | 175.5 | 179.8 | 156.7 | 0 | 0 | 0 | 110.5 | Y715 E716 T721 V722 C723 L752 M755 L756 L762 C768 V772 | Y715-L719 WeakPolarHBondContact O-CB 3.35Å; Y715-L719 PolarHBondContact O-N 3.44Å; E716-L719 WeakPolarHBondContact O-CB 3.38Å; E716-L719 PolarHBondContact O-N 2.88Å; L719-T721 VanDerWaalsContact C-N 3.27Å; L719-T721 PolarHBondContact O-N 3.18Å; L719-V722 PolarHBondContact O-N 3.15Å; L719-C723 WeakPolarHBondContact O-CB 3.33Å; L719-C723 PolarHBondContact O-N 3.28Å; L719-C723 PolarHBondContact O-SG 3.35Å; L719-L752 HydrophobicContact CG-CD2 4.24Å; L719-M755 HydrophobicContact CB-CE 3.98Å; L719-M755 HydrophobicContact CB-SD 4.2Å; L719-L756 HydrophobicContact CD1-CD2 4.09Å; L719-L762 HydrophobicContact CD1-CD1 4.32Å; L719-C768 HydrophobicContact CD1-CB 4.29Å; L719-C768 HydrophobicContact CD2-CB 4.35Å; L719-V772 HydrophobicContact CD1-CG2 3.93Å; L719-V772 HydrophobicContact CD2-CG2 4.04Å; L719-V772 HydrophobicContact CG-CG2 4.25Å |
| 720 | F | 93.3 | Very high | 86.5 | Confident | 65 Ų | 65 | 40.2 Ų | 40.2 | 29% | 0.285 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.2 | -38.4 | 177.7 | -69.6 | -57.9 | 0 | 0 | 0 | 112.4 | E716 Q717 L718 K724 D767 R771 | E716-F720 HydrophobicContact CB-CE2 4.16Å; E716-F720 WeakPolarHBondContact O-CD2 3.47Å; E716-F720 WeakPolarHBondContact O-CG 3.38Å; E716-F720 PolarHBondContact O-N 2.85Å; Q717-F720 PolarHBondContact O-N 2.83Å; L718-F720 PolarHBondContact O-N 2.9Å; F720-K724 WeakPolarHBondContact O-CB 3.44Å; F720-K724 PolarHBondContact O-N 3.13Å; F720-D767 HydrophobicContact CE1-CB 4.4Å; F720-D767 HydrophobicContact CZ-CB 3.89Å; F720-R771 HydrophobicContact CD1-CB 4.08Å; F720-R771 HydrophobicContact CD1-CG 3.87Å; F720-R771 HydrophobicContact CE1-CB 3.83Å; F720-R771 HydrophobicContact CE1-CG 4.15Å |
| 721 | T | 91.8 | Very high | 87.9 | Confident | 42 Ų | 42 | 36.9 Ų | 36.9 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.6 | -46.6 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | A676 Q717 L718 L719 C723 K724 V725 | A676-T721 HydrophobicContact CB-CG2 3.97Å; Q717-T721 WeakPolarHBondContact O-CB 3.15Å; Q717-T721 PolarHBondContact O-N 3.33Å; Q717-T721 PolarHBondContact O-OG1 2.96Å; L718-T721 PolarHBondContact O-N 3.47Å; L719-T721 VanDerWaalsContact C-N 3.27Å; L719-T721 PolarHBondContact O-N 3.18Å; T721-C723 PolarHBondContact O-N 2.86Å; T721-K724 WeakPolarHBondContact O-CB 3.41Å; T721-K724 PolarHBondContact O-N 2.98Å; T721-V725 VanDerWaalsContact O-CG2 3.3Å; T721-V725 WeakPolarHBondContact O-CG2 3.18Å; T721-V725 PolarHBondContact O-N 3.45Å |
| 722 | V | 93.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L679 Y694 L718 L719 K724 V725 I726 A748 F751 L752 | L679-V722 HydrophobicContact CD2-CG2 3.96Å; Y694-V722 HydrophobicContact CE1-CG1 4.12Å; Y694-V722 HydrophobicContact CE1-CG2 4.17Å; L718-V722 HydrophobicContact CD1-CG2 4.38Å; L718-V722 WeakPolarHBondContact O-CG2 3.45Å; L718-V722 PolarHBondContact O-N 3.01Å; L719-V722 PolarHBondContact O-N 3.15Å; V722-K724 VanDerWaalsContact C-N 3.32Å; V722-K724 PolarHBondContact O-N 3.44Å; V722-V725 WeakPolarHBondContact O-CB 3.5Å; V722-V725 PolarHBondContact O-N 2.87Å; V722-V725 VanDerWaalsContact O-N 3.12Å; V722-I726 HydrophobicContact CG1-CD1 4.1Å; V722-I726 WeakPolarHBondContact O-CG1 3.39Å; V722-I726 PolarHBondContact O-N 3.43Å; V722-A748 HydrophobicContact CG1-CB 4.12Å; V722-F751 HydrophobicContact CG1-CD1 4.16Å; V722-F751 HydrophobicContact CG2-CD1 3.98Å; V722-F751 HydrophobicContact CG2-CE1 3.79Å; V722-L752 HydrophobicContact CB-CD2 4.23Å; V722-L752 HydrophobicContact CG1-CD1 4.26Å; V722-L752 HydrophobicContact CG1-CD2 4Å; V722-L752 HydrophobicContact CG1-CG 3.96Å |
| 723 | C | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.3 | -45.4 | 173.5 | -74.2 | 0 | 0 | 0 | 0 | 112 | L719 T721 V725 I726 Q727 R771 I775 | L719-C723 WeakPolarHBondContact O-CB 3.33Å; L719-C723 PolarHBondContact O-N 3.28Å; L719-C723 PolarHBondContact O-SG 3.35Å; T721-C723 PolarHBondContact O-N 2.86Å; C723-V725 VanDerWaalsContact C-N 3.34Å; C723-V725 PolarHBondContact O-N 3.3Å; C723-I726 PolarHBondContact O-N 2.65Å; C723-Q727 WeakPolarHBondContact O-CB 3.24Å; C723-Q727 PolarHBondContact O-N 3.1Å; C723-R771 HydrophobicContact CB-CG 3.78Å; C723-I775 HydrophobicContact CB-CD1 4.26Å; C723-I775 HydrophobicContact CB-CG1 3.65Å; C723-I775 VanDerWaalsContact O-CD1 3.27Å; C723-I775 WeakPolarHBondContact O-CD1 3.42Å |
| 724 | K | 92.1 | Very high | 88.5 | Confident | 136 Ų | 136 | 38.9 Ų | 38.9 | 59% | 0.591 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.9 | -36.3 | 176.4 | -173.4 | 178.3 | -178.6 | 178.7 | 0 | 112.5 | F720 T721 V722 S728 | F720-K724 WeakPolarHBondContact O-CB 3.44Å; F720-K724 PolarHBondContact O-N 3.13Å; T721-K724 WeakPolarHBondContact O-CB 3.41Å; T721-K724 PolarHBondContact O-N 2.98Å; V722-K724 VanDerWaalsContact C-N 3.32Å; V722-K724 PolarHBondContact O-N 3.44Å; K724-S728 WeakPolarHBondContact O-CB 3.31Å; K724-S728 PolarHBondContact O-N 3.1Å; K724-S728 PolarHBondContact O-OG 3.43Å |
| 725 | V | 91.7 | Very high | 88.1 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 175.7 | 168.9 | 0 | 0 | 0 | 0 | 109.9 | L679 K683 T721 V722 C723 Q727 S728 Q729 | L679-V725 HydrophobicContact CD2-CB 4.37Å; L679-V725 HydrophobicContact CD2-CG1 4.37Å; L679-V725 HydrophobicContact CD2-CG2 3.98Å; L679-V725 HydrophobicContact CG-CG1 4.19Å; L679-V725 HydrophobicContact CG-CG2 3.94Å; K683-V725 HydrophobicContact CB-CG1 4.06Å; T721-V725 VanDerWaalsContact O-CG2 3.3Å; T721-V725 WeakPolarHBondContact O-CG2 3.18Å; T721-V725 PolarHBondContact O-N 3.45Å; V722-V725 WeakPolarHBondContact O-CB 3.5Å; V722-V725 PolarHBondContact O-N 2.87Å; V722-V725 VanDerWaalsContact O-N 3.12Å; C723-V725 VanDerWaalsContact C-N 3.34Å; C723-V725 PolarHBondContact O-N 3.3Å; V725-Q727 PolarHBondContact O-N 3.5Å; V725-S728 PolarHBondContact O-N 3.43Å; V725-S728 PolarHBondContact O-OG 3.5Å; V725-Q729 HydrophobicContact CG1-CG 4.34Å; V725-Q729 WeakPolarHBondContact O-CB 3.41Å; V725-Q729 WeakPolarHBondContact O-CG 3.4Å; V725-Q729 PolarHBondContact O-N 2.7Å |
| 726 | I | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.6 | -51.5 | 176.1 | -66.7 | 167.2 | 0 | 0 | 0 | 110.5 | V722 C723 S728 Q729 L730 I745 A748 F749 L752 I775 | V722-I726 HydrophobicContact CG1-CD1 4.1Å; V722-I726 WeakPolarHBondContact O-CG1 3.39Å; V722-I726 PolarHBondContact O-N 3.43Å; C723-I726 PolarHBondContact O-N 2.65Å; I726-S728 VanDerWaalsContact C-N 3.32Å; I726-S728 PolarHBondContact O-N 3.49Å; I726-Q729 PolarHBondContact O-N 3.46Å; I726-L730 HydrophobicContact CG2-CD1 3.72Å; I726-L730 HydrophobicContact CG2-CG 4.35Å; I726-L730 WeakPolarHBondContact O-CB 3.31Å; I726-L730 WeakPolarHBondContact O-CG 3.49Å; I726-L730 PolarHBondContact O-N 3.44Å; I726-I745 HydrophobicContact CG2-CG2 4.25Å; I726-A748 HydrophobicContact CD1-CB 3.7Å; I726-A748 HydrophobicContact CG1-CB 3.58Å; I726-F749 HydrophobicContact CD1-CD2 4.44Å; I726-F749 HydrophobicContact CD1-CE2 4.4Å; I726-F749 HydrophobicContact CG2-CE2 3.87Å; I726-F749 HydrophobicContact CG2-CZ 4.01Å; I726-L752 HydrophobicContact CD1-CD1 3.77Å; I726-I775 HydrophobicContact CB-CG2 4.23Å; I726-I775 HydrophobicContact CD1-CG2 3.94Å; I726-I775 HydrophobicContact CG2-CG2 3.79Å |
| 727 | Q | 91.6 | Very high | 87.4 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 179.1 | -171.2 | -172.5 | 8.8 | 0 | 0 | 111.4 | C723 V725 Q729 L730 A731 I775 L778 E784 | C723-Q727 WeakPolarHBondContact O-CB 3.24Å; C723-Q727 PolarHBondContact O-N 3.1Å; V725-Q727 PolarHBondContact O-N 3.5Å; Q727-Q729 PolarHBondContact O-N 3.08Å; Q727-L730 PolarHBondContact O-N 2.96Å; Q727-A731 VanDerWaalsContact O-CB 3.32Å; Q727-A731 WeakPolarHBondContact O-CB 3.41Å; Q727-A731 PolarHBondContact O-N 3.26Å; Q727-I775 HydrophobicContact CB-CD1 3.92Å; Q727-L778 HydrophobicContact CB-CD2 4.05Å; Q727-L778 HydrophobicContact CG-CD2 3.88Å; Q727-E784 PolarHBondContact NE2-OE1 3.49Å |
| 728 | S | 88.9 | Confident | 87.2 | Confident | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.2 | -29.2 | -178.9 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | K683 K724 V725 I726 | K683-S728 WeakPolarHBondContact CD-OG 3.31Å; K683-S728 PolarHBondContact NZ-OG 3.43Å; K683-S728 VanDerWaalsContact NZ-OG 3.08Å; K724-S728 WeakPolarHBondContact O-CB 3.31Å; K724-S728 PolarHBondContact O-N 3.1Å; K724-S728 PolarHBondContact O-OG 3.43Å; V725-S728 PolarHBondContact O-N 3.43Å; V725-S728 PolarHBondContact O-OG 3.5Å; I726-S728 VanDerWaalsContact C-N 3.32Å; I726-S728 PolarHBondContact O-N 3.49Å |
| 729 | Q | 90.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.1 | -34.4 | 174 | -74.2 | 178.5 | -25.8 | 0 | 0 | 111.7 | K683 V725 I726 Q727 L732 L741 I745 | K683-Q729 HydrophobicContact CB-CG 4.49Å; K683-Q729 PolarHBondContact O-NE2 3.43Å; V725-Q729 HydrophobicContact CG1-CG 4.34Å; V725-Q729 WeakPolarHBondContact O-CB 3.41Å; V725-Q729 WeakPolarHBondContact O-CG 3.4Å; V725-Q729 PolarHBondContact O-N 2.7Å; I726-Q729 PolarHBondContact O-N 3.46Å; Q727-Q729 PolarHBondContact O-N 3.08Å; Q729-L732 WeakPolarHBondContact O-CD1 3.46Å; Q729-L732 WeakPolarHBondContact O-CG 3.3Å; Q729-L741 HydrophobicContact CB-CD1 4Å; Q729-L741 HydrophobicContact CG-CD1 3.89Å; Q729-I745 HydrophobicContact CB-CD1 3.92Å; Q729-I745 HydrophobicContact CB-CG1 3.92Å; Q729-I745 VanDerWaalsContact OE1-CG1 3.27Å |
| 730 | L | 88.4 | Confident | 86.4 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76.7 | -27.7 | 175.3 | -70.7 | 174.7 | 0 | 0 | 0 | 113.2 | I726 Q727 L732 I745 L778 A796 V800 | I726-L730 HydrophobicContact CG2-CD1 3.72Å; I726-L730 HydrophobicContact CG2-CG 4.35Å; I726-L730 WeakPolarHBondContact O-CB 3.31Å; I726-L730 WeakPolarHBondContact O-CG 3.49Å; I726-L730 PolarHBondContact O-N 3.44Å; Q727-L730 PolarHBondContact O-N 2.96Å; L730-L732 PolarHBondContact O-N 3.48Å; L730-I745 HydrophobicContact CD2-CD1 3.75Å; L730-I745 HydrophobicContact CD2-CG2 4.5Å; L730-I745 HydrophobicContact CG-CD1 4.14Å; L730-L778 HydrophobicContact CB-CD2 4.38Å; L730-L778 HydrophobicContact CD1-CD2 3.99Å; L730-L778 HydrophobicContact CD1-CG 3.87Å; L730-A796 HydrophobicContact CD2-CB 3.59Å; L730-V800 HydrophobicContact CD1-CG1 4.36Å; L730-V800 HydrophobicContact CD2-CG1 4.03Å |
| 731 | A | 86.4 | Confident | 86.1 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -2.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q727 | Q727-A731 VanDerWaalsContact O-CB 3.32Å; Q727-A731 WeakPolarHBondContact O-CB 3.41Å; Q727-A731 PolarHBondContact O-N 3.26Å |
| 732 | L | 85.2 | Confident | 86 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -66.8 | 151.9 | 178 | -66.3 | 172.8 | 0 | 0 | 0 | 111.6 | L684 Q729 L730 H737 L741 | L684-L732 HydrophobicContact CD1-CD2 4Å; L684-L732 HydrophobicContact CD2-CD1 3.32Å; L684-L732 HydrophobicContact CD2-CD2 3.73Å; L684-L732 HydrophobicContact CD2-CG 3.95Å; Q729-L732 WeakPolarHBondContact O-CD1 3.46Å; Q729-L732 WeakPolarHBondContact O-CG 3.3Å; L730-L732 PolarHBondContact O-N 3.48Å; L732-H737 PolarHBondContact O-NE2 2.7Å; L732-H737 VanDerWaalsContact O-NE2 3.07Å; L732-L741 HydrophobicContact CD1-CD1 4.16Å; L732-L741 HydrophobicContact CD1-CD2 3.73Å |
| 733 | P | 76.9 | Confident | 85.8 | Confident | 89 Ų | 89 | 54 Ų | 54 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | trans | -58.9 | 143.5 | 172.7 | -22.5 | 32.8 | 0 | 0 | 0 | 111.4 | R735 S736 H737 | P733-R735 PolarHBondContact O-N 3.35Å; P733-S736 WeakPolarHBondContact O-CB 3.27Å; P733-S736 PolarHBondContact O-N 2.93Å; P733-H737 PolarHBondContact O-CD2 2.88Å | ||
| 734 | S | 75.6 | Confident | 85.6 | Confident | 110 Ų | 110 | 54 Ų | 54 | 77% | 0.769 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -50 | -32.1 | -176.9 | -48.8 | 0 | 0 | 0 | 0 | 114.4 | S736 H737 | S734-S736 VanDerWaalsContact C-N 3.28Å; S734-S736 PolarHBondContact O-N 3.04Å; S734-H737 PolarHBondContact O-N 2.91Å |
| 735 | R | 72.5 | Confident | 85.6 | Confident | 212 Ų | 212 | 47.5 Ų | 47.5 | 80% | 0.8 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -67.4 | -23.1 | 177.5 | -65.6 | -175.9 | -179.4 | -174.9 | 0.7 | 113.9 | P733 | P733-R735 PolarHBondContact O-N 3.35Š|
| 736 | S | 77.5 | Confident | 85.5 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 46% | 0.462 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -86.9 | -9 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | P733 S734 S738 | P733-S736 WeakPolarHBondContact O-CB 3.27Å; P733-S736 PolarHBondContact O-N 2.93Å; S734-S736 VanDerWaalsContact C-N 3.28Å; S734-S736 PolarHBondContact O-N 3.04Å; S736-S738 PolarHBondContact O-N 3.23Å; S736-S738 VanDerWaalsContact O-N 3.1Å |
| 737 | H | 81.5 | Confident | 85.4 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | trans | -74.4 | 105.1 | 178.7 | -74.1 | -94.4 | 0 | 0 | 0 | 110.8 | L732 P733 S734 L741 H742 | L732-H737 PolarHBondContact O-NE2 2.7Å; L732-H737 VanDerWaalsContact O-NE2 3.07Å; P733-H737 PolarHBondContact O-CD2 2.88Å; S734-H737 PolarHBondContact O-N 2.91Å; H737-L741 HydrophobicContact CB-CD2 4.5Å; H737-H742 AromaticContact CG-NE2 3.57Å; H737-H742 AromaticContact ND1-CD2 3.59Å; H737-H742 AromaticContact ND1-NE2 3Å; H737-H742 PolarHBondContact ND1-NE2 2.91Å | ||
| 738 | S | 84.6 | Confident | 85.5 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | trans | -97 | 162 | 170.3 | 73.6 | 0 | 0 | 0 | 0 | 110.8 | S736 D740 L741 H742 | S736-S738 PolarHBondContact O-N 3.23Å; S736-S738 VanDerWaalsContact O-N 3.1Å; S738-D740 PolarHBondContact O-N 3Å; S738-L741 WeakPolarHBondContact O-CB 3.29Å; S738-L741 PolarHBondContact O-N 3.45Å; S738-L741 WeakPolarHBondContact OG-CB 3.46Å; S738-L741 PolarHBondContact OG-N 3Å; S738-H742 PolarHBondContact O-N 3.09Å | ||
| 739 | R | 81.8 | Confident | 85.7 | Confident | 123 Ų | 123 | 44.9 Ų | 44.9 | 46% | 0.464 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -36.7 | 172 | -179.5 | 179.9 | 172.7 | 179 | -2.4 | 112.1 | H742 S743 E1313 | R739-H742 PolarHBondContact O-N 3.45Å; R739-S743 WeakPolarHBondContact O-CB 3.42Å; R739-S743 PolarHBondContact O-N 3.31Å; R739-S743 PolarHBondContact O-OG 3.4Å; R739-E1313 PolarHBondContact NH2-O 3.31Å |
| 740 | D | 83.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | -179.4 | -55.9 | -39.6 | 0 | 0 | 0 | 110.8 | F687 S738 S743 T744 | F687-D740 HydrophobicContact CB-CB 4.36Å; F687-D740 HydrophobicContact CD2-CB 3.47Å; F687-D740 VanDerWaalsContact CD2-CB 3.47Å; F687-D740 HydrophobicContact CE2-CB 3.91Å; F687-D740 HydrophobicContact CG-CB 3.93Å; S738-D740 PolarHBondContact O-N 3Å; D740-S743 PolarHBondContact O-N 3.48Å; D740-T744 PolarHBondContact O-N 3.32Å; D740-T744 PolarHBondContact O-OG1 3.33Å |
| 741 | L | 88 | Confident | 85.7 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -52.2 | 170.2 | 179 | 76.5 | 0 | 0 | 0 | 110.8 | F687 Q729 L732 H737 S738 S743 T744 I745 | F687-L741 HydrophobicContact CE1-CB 3.8Å; F687-L741 HydrophobicContact CE1-CD1 3.74Å; F687-L741 HydrophobicContact CE1-CG 4.41Å; F687-L741 HydrophobicContact CZ-CB 3.98Å; F687-L741 HydrophobicContact CZ-CD1 4.43Å; Q729-L741 HydrophobicContact CB-CD1 4Å; Q729-L741 HydrophobicContact CG-CD1 3.89Å; L732-L741 HydrophobicContact CD1-CD1 4.16Å; L732-L741 HydrophobicContact CD1-CD2 3.73Å; H737-L741 HydrophobicContact CB-CD2 4.5Å; S738-L741 WeakPolarHBondContact O-CB 3.29Å; S738-L741 PolarHBondContact O-N 3.45Å; S738-L741 WeakPolarHBondContact OG-CB 3.46Å; S738-L741 PolarHBondContact OG-N 3Å; L741-S743 PolarHBondContact O-N 2.95Å; L741-T744 WeakPolarHBondContact O-CB 3.44Å; L741-T744 PolarHBondContact O-N 3.15Å; L741-T744 VanDerWaalsContact O-N 3.08Å; L741-I745 HydrophobicContact CG-CD1 4.15Å; L741-I745 WeakPolarHBondContact O-CG1 3.45Å; L741-I745 PolarHBondContact O-N 3.31Å |
| 742 | H | 89.3 | Confident | 86 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 13% | 0.125 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -34.6 | 178.2 | -68 | 167.1 | 0 | 0 | 0 | 112.3 | H737 S738 R739 T744 I745 V746 S797 V800 | H737-H742 AromaticContact CG-NE2 3.57Å; H737-H742 AromaticContact ND1-CD2 3.59Å; H737-H742 AromaticContact ND1-NE2 3Å; H737-H742 PolarHBondContact ND1-NE2 2.91Å; S738-H742 PolarHBondContact O-N 3.09Å; R739-H742 PolarHBondContact O-N 3.45Å; H742-T744 VanDerWaalsContact C-N 3.33Å; H742-I745 PolarHBondContact O-N 3.02Å; H742-V746 VanDerWaalsContact O-CG2 3.25Å; H742-V746 WeakPolarHBondContact O-CG2 3.43Å; H742-V746 PolarHBondContact O-N 3.25Å; H742-S797 VanDerWaalsContact CE1-CB 3.47Å; H742-S797 WeakPolarHBondContact CE1-CB 3.5Å; H742-S797 WeakPolarHBondContact ND1-CB 3.39Å; H742-V800 HydrophobicContact CB-CG2 4.47Å |
| 743 | S | 88 | Confident | 86 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | 175.8 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | R739 D740 L741 V746 A747 R799 L1312 | R739-S743 WeakPolarHBondContact O-CB 3.42Å; R739-S743 PolarHBondContact O-N 3.31Å; R739-S743 PolarHBondContact O-OG 3.4Å; D740-S743 PolarHBondContact O-N 3.48Å; L741-S743 PolarHBondContact O-N 2.95Å; S743-V746 PolarHBondContact O-N 3.42Å; S743-A747 WeakPolarHBondContact O-CB 3.34Å; S743-A747 PolarHBondContact O-N 2.82Å; S743-R799 PolarHBondContact OG-NH1 3.15Å; S743-L1312 WeakPolarHBondContact O-CD2 2.93Å |
| 744 | T | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 172.8 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | F687 C690 Y694 D740 L741 H742 A747 A748 | F687-T744 WeakPolarHBondContact CD1-OG1 3.4Å; C690-T744 HydrophobicContact CB-CG2 3.56Å; Y694-T744 HydrophobicContact CE2-CG2 3.98Å; D740-T744 PolarHBondContact O-N 3.32Å; D740-T744 PolarHBondContact O-OG1 3.33Å; L741-T744 WeakPolarHBondContact O-CB 3.44Å; L741-T744 PolarHBondContact O-N 3.15Å; L741-T744 VanDerWaalsContact O-N 3.08Å; H742-T744 VanDerWaalsContact C-N 3.33Å; T744-A747 PolarHBondContact O-N 2.92Å; T744-A748 PolarHBondContact O-N 3.17Å |
| 745 | I | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 175.3 | -63.6 | 166.3 | 0 | 0 | 0 | 110.7 | I726 Q729 L730 L741 H742 A747 A748 F749 V800 | I726-I745 HydrophobicContact CG2-CG2 4.25Å; Q729-I745 HydrophobicContact CB-CD1 3.92Å; Q729-I745 HydrophobicContact CB-CG1 3.92Å; Q729-I745 VanDerWaalsContact OE1-CG1 3.27Å; L730-I745 HydrophobicContact CD2-CD1 3.75Å; L730-I745 HydrophobicContact CD2-CG2 4.5Å; L730-I745 HydrophobicContact CG-CD1 4.14Å; L741-I745 HydrophobicContact CG-CD1 4.15Å; L741-I745 WeakPolarHBondContact O-CG1 3.45Å; L741-I745 PolarHBondContact O-N 3.31Å; H742-I745 PolarHBondContact O-N 3.02Å; I745-A747 VanDerWaalsContact C-N 3.32Å; I745-A747 PolarHBondContact O-N 3.36Å; I745-A748 VanDerWaalsContact O-CB 3.27Å; I745-A748 WeakPolarHBondContact O-CB 3.48Å; I745-A748 PolarHBondContact O-N 3.2Å; I745-A748 VanDerWaalsContact O-N 3.11Å; I745-F749 HydrophobicContact CG2-CD2 3.88Å; I745-F749 HydrophobicContact CG2-CE2 3.72Å; I745-F749 WeakPolarHBondContact O-CD2 3.49Å; I745-F749 PolarHBondContact O-N 3.25Å; I745-V800 HydrophobicContact CB-CG2 4.21Å; I745-V800 HydrophobicContact CG2-CG1 4.09Å; I745-V800 HydrophobicContact CG2-CG2 3.81Å |
| 746 | V | 90.3 | Very high | 87.4 | Confident | 12 Ų | 12 | 22.6 Ų | 22.6 | 7% | 0.073 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 111 | H742 S743 A748 F749 G750 R799 A803 L1312 | H742-V746 VanDerWaalsContact O-CG2 3.25Å; H742-V746 WeakPolarHBondContact O-CG2 3.43Å; H742-V746 PolarHBondContact O-N 3.25Å; S743-V746 PolarHBondContact O-N 3.42Å; V746-A748 VanDerWaalsContact C-N 3.29Å; V746-A748 PolarHBondContact O-N 3.39Å; V746-F749 PolarHBondContact O-N 3.48Å; V746-G750 PolarHBondContact O-N 3Å; V746-R799 HydrophobicContact CG2-CB 3.99Å; V746-A803 HydrophobicContact CB-CB 4.42Å; V746-A803 HydrophobicContact CG1-CB 4.15Å; V746-A803 HydrophobicContact CG2-CB 4.17Å; V746-L1312 HydrophobicContact CB-CD2 3.99Å; V746-L1312 HydrophobicContact CG1-CD2 3.73Å |
| 747 | A | 91 | Very high | 87.2 | Confident | 17 Ų | 17 | 20.1 Ų | 20.1 | 14% | 0.14 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -38.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L691 Y694 S743 T744 I745 G750 F751 L1312 | L691-A747 HydrophobicContact CD2-CB 3.4Å; L691-A747 VanDerWaalsContact CD2-CB 3.4Å; Y694-A747 HydrophobicContact CD2-CB 4Å; S743-A747 WeakPolarHBondContact O-CB 3.34Å; S743-A747 PolarHBondContact O-N 2.82Å; T744-A747 PolarHBondContact O-N 2.92Å; I745-A747 VanDerWaalsContact C-N 3.32Å; I745-A747 PolarHBondContact O-N 3.36Å; A747-G750 PolarHBondContact O-N 2.88Å; A747-F751 WeakPolarHBondContact O-CB 3.32Å; A747-F751 PolarHBondContact O-N 3.03Å; A747-L1312 HydrophobicContact CB-CD1 3.95Å |
| 748 | A | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y694 V722 I726 T744 I745 V746 F751 L752 | Y694-A748 HydrophobicContact CE1-CB 3.96Å; Y694-A748 HydrophobicContact CE2-CB 3.98Å; Y694-A748 VanDerWaalsContact CZ-CB 3.45Å; Y694-A748 WeakPolarHBondContact OH-CB 3.31Å; V722-A748 HydrophobicContact CG1-CB 4.12Å; I726-A748 HydrophobicContact CD1-CB 3.7Å; I726-A748 HydrophobicContact CG1-CB 3.58Å; T744-A748 PolarHBondContact O-N 3.17Å; I745-A748 VanDerWaalsContact O-CB 3.27Å; I745-A748 WeakPolarHBondContact O-CB 3.48Å; I745-A748 PolarHBondContact O-N 3.2Å; I745-A748 VanDerWaalsContact O-N 3.11Å; V746-A748 VanDerWaalsContact C-N 3.29Å; V746-A748 PolarHBondContact O-N 3.39Å; A748-F751 WeakPolarHBondContact O-CB 3.18Å; A748-F751 PolarHBondContact O-N 3.2Å; A748-L752 WeakPolarHBondContact O-CG 3.37Å; A748-L752 PolarHBondContact O-N 3.22Å |
| 749 | F | 92.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 173.5 | -83.6 | -75 | 0 | 0 | 0 | 111.9 | I726 I745 V746 F751 L752 E753 I775 V800 A803 A804 L807 | I726-F749 HydrophobicContact CD1-CD2 4.44Å; I726-F749 HydrophobicContact CD1-CE2 4.4Å; I726-F749 HydrophobicContact CG2-CE2 3.87Å; I726-F749 HydrophobicContact CG2-CZ 4.01Å; I745-F749 HydrophobicContact CG2-CD2 3.88Å; I745-F749 HydrophobicContact CG2-CE2 3.72Å; I745-F749 WeakPolarHBondContact O-CD2 3.49Å; I745-F749 PolarHBondContact O-N 3.25Å; V746-F749 PolarHBondContact O-N 3.48Å; F749-F751 VanDerWaalsContact C-N 3.28Å; F749-F751 PolarHBondContact O-N 3.06Å; F749-L752 PolarHBondContact O-N 3.27Å; F749-E753 PolarHBondContact O-N 2.9Å; F749-I775 HydrophobicContact CE1-CG2 3.81Å; F749-I775 HydrophobicContact CZ-CG2 3.81Å; F749-V800 HydrophobicContact CE2-CG1 4.05Å; F749-A803 HydrophobicContact CB-CB 3.77Å; F749-A803 HydrophobicContact CD2-CB 4.2Å; F749-A803 HydrophobicContact CG-CB 4.11Å; F749-A804 HydrophobicContact CD1-CB 4.19Å; F749-A804 HydrophobicContact CE1-CB 3.65Å; F749-A804 HydrophobicContact CE2-CB 4.44Å; F749-A804 HydrophobicContact CZ-CB 3.8Å; F749-L807 HydrophobicContact CD1-CB 4.34Å; F749-L807 HydrophobicContact CD1-CD2 3.77Å; F749-L807 HydrophobicContact CE1-CD2 4.28Å |
| 750 | G | 87.9 | Confident | 86.3 | Confident | 31 Ų | 31 | 16.5 Ų | 16.5 | 32% | 0.32 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -64 | -32.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V746 A747 E753 N754 | V746-G750 PolarHBondContact O-N 3Å; A747-G750 PolarHBondContact O-N 2.88Å; G750-E753 WeakPolarHBondContact O-CB 3.5Å; G750-E753 PolarHBondContact O-N 2.93Å; G750-N754 PolarHBondContact O-N 2.79Å |
| 751 | F | 91.4 | Very high | 86 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 171.4 | 168.5 | -97.1 | 0 | 0 | 0 | 111.5 | Y694 L697 I701 L718 V722 A747 A748 F749 E753 N754 M755 | Y694-F751 HydrophobicContact CD1-CB 3.88Å; Y694-F751 HydrophobicContact CD1-CD1 4.27Å; Y694-F751 AromaticContact CD1-CG 3.94Å; Y694-F751 HydrophobicContact CD1-CG 3.94Å; Y694-F751 HydrophobicContact CE1-CB 4.5Å; Y694-F751 HydrophobicContact CE1-CD1 4.48Å; Y694-F751 HydrophobicContact CG-CB 4.5Å; L697-F751 HydrophobicContact CB-CD2 4.01Å; L697-F751 HydrophobicContact CB-CE2 3.32Å; L697-F751 HydrophobicContact CB-CZ 3.87Å; L697-F751 HydrophobicContact CD1-CE2 4.25Å; L697-F751 HydrophobicContact CD1-CZ 4.14Å; L697-F751 HydrophobicContact CG-CE2 4.41Å; I701-F751 HydrophobicContact CD1-CE2 3.45Å; I701-F751 VanDerWaalsContact CD1-CE2 3.45Å; I701-F751 HydrophobicContact CD1-CZ 3.51Å; L718-F751 HydrophobicContact CD2-CE1 4.41Å; L718-F751 HydrophobicContact CD2-CZ 3.76Å; L718-F751 HydrophobicContact CG-CE1 4.38Å; L718-F751 HydrophobicContact CG-CZ 4.21Å; V722-F751 HydrophobicContact CG1-CD1 4.16Å; V722-F751 HydrophobicContact CG2-CD1 3.98Å; V722-F751 HydrophobicContact CG2-CE1 3.79Å; A747-F751 WeakPolarHBondContact O-CB 3.32Å; A747-F751 PolarHBondContact O-N 3.03Å; A748-F751 WeakPolarHBondContact O-CB 3.18Å; A748-F751 PolarHBondContact O-N 3.2Å; F749-F751 VanDerWaalsContact C-N 3.28Å; F749-F751 PolarHBondContact O-N 3.06Å; F751-E753 VanDerWaalsContact C-N 3.28Å; F751-E753 PolarHBondContact O-N 3Å; F751-N754 PolarHBondContact O-N 2.9Å; F751-M755 HydrophobicContact CE1-CB 4.5Å; F751-M755 HydrophobicContact CE1-SD 3.76Å; F751-M755 HydrophobicContact CZ-CB 4.43Å; F751-M755 HydrophobicContact CZ-SD 3.88Å; F751-M755 VanDerWaalsContact O-CB 3.3Å; F751-M755 WeakPolarHBondContact O-CB 3.13Å; F751-M755 PolarHBondContact O-N 3.45Å |
| 752 | L | 92 | Very high | 85.8 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 175.6 | -70.3 | 176.3 | 0 | 0 | 0 | 111.4 | L719 V722 I726 A748 F749 M755 L756 L807 | L719-L752 HydrophobicContact CG-CD2 4.24Å; V722-L752 HydrophobicContact CB-CD2 4.23Å; V722-L752 HydrophobicContact CG1-CD1 4.26Å; V722-L752 HydrophobicContact CG1-CD2 4Å; V722-L752 HydrophobicContact CG1-CG 3.96Å; I726-L752 HydrophobicContact CD1-CD1 3.77Å; A748-L752 WeakPolarHBondContact O-CG 3.37Å; A748-L752 PolarHBondContact O-N 3.22Å; F749-L752 PolarHBondContact O-N 3.27Å; L752-M755 PolarHBondContact O-N 3.24Å; L752-L756 VanDerWaalsContact O-CG 3.3Å; L752-L756 WeakPolarHBondContact O-CG 3.3Å; L752-L756 PolarHBondContact O-N 2.9Å; L752-L807 HydrophobicContact CB-CD1 4.21Å; L752-L807 HydrophobicContact CB-CD2 3.93Å; L752-L807 HydrophobicContact CD1-CD2 4.15Å |
| 753 | E | 85.7 | Confident | 85.4 | Confident | 22 Ų | 22 | 14.6 Ų | 14.6 | 10% | 0.103 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.3 | -54.9 | 174.4 | -173.1 | -177.7 | -178.3 | 0 | 0 | 110.8 | F749 G750 F751 M755 L756 I757 Q806 L807 C810 | F749-E753 PolarHBondContact O-N 2.9Å; G750-E753 WeakPolarHBondContact O-CB 3.5Å; G750-E753 PolarHBondContact O-N 2.93Å; F751-E753 VanDerWaalsContact C-N 3.28Å; F751-E753 PolarHBondContact O-N 3Å; E753-M755 VanDerWaalsContact C-N 3.28Å; E753-M755 PolarHBondContact O-N 2.84Å; E753-L756 PolarHBondContact O-N 2.8Å; E753-I757 HydrophobicContact CG-CD1 4.05Å; E753-I757 VanDerWaalsContact O-CG1 3.25Å; E753-I757 WeakPolarHBondContact O-CG1 3.4Å; E753-I757 PolarHBondContact O-N 2.86Å; E753-Q806 PolarHBondContact OE1-NE2 2.79Å; E753-L807 VanDerWaalsContact CA-CD1 3.49Å; E753-L807 HydrophobicContact CB-CD1 3.88Å; E753-C810 HydrophobicContact CG-CB 3.85Å |
| 754 | N | 82.9 | Confident | 85 | Confident | 25 Ų | 25 | 17.8 Ų | 17.8 | 13% | 0.134 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 178.5 | -178.2 | 44.3 | 0 | 0 | 0 | 112.5 | G750 F751 R758 | G750-N754 PolarHBondContact O-N 2.79Å; F751-N754 PolarHBondContact O-N 2.9Å; N754-R758 WeakPolarHBondContact O-CG 3.44Å; N754-R758 PolarHBondContact O-N 2.79Å; N754-R758 PolarHBondContact OD1-NE 2.87Å |
| 755 | M | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.5 | -48.1 | 177.9 | -179.4 | 171.9 | -169.6 | 0 | 0 | 111.9 | I701 Y715 L718 L719 F751 L752 E753 R758 L759 L762 | I701-M755 HydrophobicContact CD1-CB 4.06Å; I701-M755 HydrophobicContact CD1-CG 3.96Å; I701-M755 HydrophobicContact CD1-SD 4.32Å; Y715-M755 HydrophobicContact CD1-CE 4.31Å; Y715-M755 HydrophobicContact CG-CE 4.5Å; Y715-M755 WeakPolarHBondContact O-CE 3.21Å; L718-M755 HydrophobicContact CB-CE 4.4Å; L718-M755 HydrophobicContact CD2-CE 4.4Å; L719-M755 HydrophobicContact CB-CE 3.98Å; L719-M755 HydrophobicContact CB-SD 4.2Å; F751-M755 HydrophobicContact CE1-CB 4.5Å; F751-M755 HydrophobicContact CE1-SD 3.76Å; F751-M755 HydrophobicContact CZ-CB 4.43Å; F751-M755 HydrophobicContact CZ-SD 3.88Å; F751-M755 VanDerWaalsContact O-CB 3.3Å; F751-M755 WeakPolarHBondContact O-CB 3.13Å; F751-M755 PolarHBondContact O-N 3.45Å; L752-M755 PolarHBondContact O-N 3.24Å; E753-M755 VanDerWaalsContact C-N 3.28Å; E753-M755 PolarHBondContact O-N 2.84Å; M755-R758 PolarHBondContact O-N 3.01Å; M755-L759 HydrophobicContact CG-CD1 4.44Å; M755-L759 WeakPolarHBondContact O-CB 3.42Å; M755-L759 PolarHBondContact O-N 2.81Å; M755-L762 HydrophobicContact CE-CD1 3.53Å; M755-L762 HydrophobicContact CG-CD1 3.88Å; M755-L762 HydrophobicContact SD-CD1 4.35Å |
| 756 | L | 84.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.3 | -36 | -178.9 | -66.2 | 178.5 | 0 | 0 | 0 | 112.5 | L719 L752 E753 R758 L759 L762 L763 V772 L807 M811 V815 | L719-L756 HydrophobicContact CD1-CD2 4.09Å; L752-L756 VanDerWaalsContact O-CG 3.3Å; L752-L756 WeakPolarHBondContact O-CG 3.3Å; L752-L756 PolarHBondContact O-N 2.9Å; E753-L756 PolarHBondContact O-N 2.8Å; L756-R758 VanDerWaalsContact C-N 3.3Å; L756-R758 PolarHBondContact O-N 2.89Å; L756-L759 CarbonylContact O-C 3.3Å; L756-L762 HydrophobicContact CD2-CB 4.27Å; L756-L763 HydrophobicContact CD1-CD2 4.2Å; L756-L763 HydrophobicContact CD2-CD2 3.68Å; L756-L763 HydrophobicContact CD2-CG 4.08Å; L756-V772 HydrophobicContact CD1-CG1 4.04Å; L756-V772 HydrophobicContact CD1-CG2 4.37Å; L756-L807 HydrophobicContact CD1-CD1 4.01Å; L756-M811 HydrophobicContact CD1-CG 3.88Å; L756-M811 HydrophobicContact CD1-SD 4.21Å; L756-V815 HydrophobicContact CB-CG2 4.08Å; L756-V815 WeakPolarHBondContact O-CG1 3.5Å |
| 757 | I | 73.1 | Confident | 84.3 | Confident | 14 Ų | 14 | 28.7 Ų | 28.7 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.5 | -67.6 | 166.9 | 0 | 0 | 0 | 110.8 | E753 C810 F819 P1148 | E753-I757 HydrophobicContact CG-CD1 4.05Å; E753-I757 VanDerWaalsContact O-CG1 3.25Å; E753-I757 WeakPolarHBondContact O-CG1 3.4Å; E753-I757 PolarHBondContact O-N 2.86Å; I757-C810 VanDerWaalsContact CD1-SG 3.52Å; I757-C810 WeakPolarHBondContact CG1-SG 3.09Å; I757-F819 HydrophobicContact CG2-CD2 4.49Å; I757-F819 HydrophobicContact CG2-CE2 3.38Å; I757-F819 HydrophobicContact CG2-CZ 3.64Å; I757-P1148 HydrophobicContact CD1-CB 4.08Å; I757-P1148 HydrophobicContact CG2-CB 4.06Å; I757-P1148 HydrophobicContact CG2-CG 3.79Å |
| 758 | R | 75.5 | Confident | 84.2 | Confident | 75 Ų | 75 | 27.9 Ų | 27.9 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -83.7 | -27.4 | -175.8 | -68.4 | -178.6 | -175.9 | -83.3 | -1.1 | 113.6 | I701 N754 M755 L756 P760 | I701-R758 HydrophobicContact CG2-CB 3.86Å; I701-R758 HydrophobicContact CG2-CG 4.44Å; N754-R758 WeakPolarHBondContact O-CG 3.44Å; N754-R758 PolarHBondContact O-N 2.79Å; N754-R758 PolarHBondContact OD1-NE 2.87Å; M755-R758 PolarHBondContact O-N 3.01Å; L756-R758 VanDerWaalsContact C-N 3.3Å; L756-R758 PolarHBondContact O-N 2.89Å; R758-P760 WeakPolarHBondContact O-CD 3.38Å |
| 759 | L | 79.2 | Confident | 84 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -125.2 | 64.6 | -177.5 | -58.6 | 172.4 | 0 | 0 | 0 | 110 | I701 A706 Y715 M755 L756 S761 L762 | I701-L759 HydrophobicContact CG2-CD1 4.15Å; I701-L759 HydrophobicContact CG2-CG 4.34Å; A706-L759 HydrophobicContact CB-CD2 3.74Å; Y715-L759 HydrophobicContact CD1-CD1 3.61Å; Y715-L759 HydrophobicContact CD2-CD1 4.4Å; Y715-L759 HydrophobicContact CE1-CD1 4.1Å; Y715-L759 HydrophobicContact CG-CD1 3.78Å; M755-L759 HydrophobicContact CG-CD1 4.44Å; M755-L759 WeakPolarHBondContact O-CB 3.42Å; M755-L759 PolarHBondContact O-N 2.81Å; L756-L759 CarbonylContact O-C 3.3Å; L759-S761 PolarHBondContact O-N 2.83Å; L759-S761 VanDerWaalsContact O-N 3.08Å; L759-L762 HydrophobicContact CB-CD1 3.7Å; L759-L762 HydrophobicContact CB-CG 3.93Å; L759-L762 HydrophobicContact CD1-CD1 4.05Å; L759-L762 WeakPolarHBondContact O-CB 3.44Å; L759-L762 WeakPolarHBondContact O-CG 3.49Å; L759-L762 PolarHBondContact O-N 2.05Å | ||
| 760 | P | 75.3 | Confident | 83.8 | Confident | 53 Ų | 53 | 33.6 Ų | 33.6 | 34% | 0.344 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -58.5 | -26.4 | -178.2 | 23.8 | -34.5 | 0 | 0 | 0 | 112.4 | R758 L762 L763 V815 | R758-P760 WeakPolarHBondContact O-CD 3.38Å; P760-L762 PolarHBondContact O-N 3.35Å; P760-L762 VanDerWaalsContact O-N 3.13Å; P760-L763 PolarHBondContact O-N 3.05Å; P760-V815 HydrophobicContact CB-CG1 3.57Å |
| 761 | S | 77.4 | Confident | 84 | Confident | 32 Ų | 32 | 34.1 Ų | 34.1 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -58.6 | -22.2 | 175.6 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | L712 L759 L763 I764 | L712-S761 WeakPolarHBondContact CD1-OG 3.41Å; L712-S761 WeakPolarHBondContact CD2-OG 3.45Å; L759-S761 PolarHBondContact O-N 2.83Å; L759-S761 VanDerWaalsContact O-N 3.08Å; S761-L763 PolarHBondContact O-N 3.41Å; S761-I764 VanDerWaalsContact O-CB 3.27Å; S761-I764 WeakPolarHBondContact O-CB 3.43Å; S761-I764 WeakPolarHBondContact O-CG1 3.32Å; S761-I764 PolarHBondContact O-N 3.39Å; S761-I764 VanDerWaalsContact O-N 3.12Å |
| 762 | L | 82.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -63.5 | -28.9 | 174.2 | -67.7 | 173.1 | 0 | 0 | 0 | 112.5 | L712 E716 L719 M755 L756 L759 P760 I764 N765 C768 | L712-L762 HydrophobicContact CD2-CD2 3.87Å; L712-L762 HydrophobicContact CD2-CG 4.19Å; E716-L762 HydrophobicContact CG-CD2 3.73Å; L719-L762 HydrophobicContact CD1-CD1 4.32Å; M755-L762 HydrophobicContact CE-CD1 3.53Å; M755-L762 HydrophobicContact CG-CD1 3.88Å; M755-L762 HydrophobicContact SD-CD1 4.35Å; L756-L762 HydrophobicContact CD2-CB 4.27Å; L759-L762 HydrophobicContact CB-CD1 3.7Å; L759-L762 HydrophobicContact CB-CG 3.93Å; L759-L762 HydrophobicContact CD1-CD1 4.05Å; L759-L762 WeakPolarHBondContact O-CB 3.44Å; L759-L762 WeakPolarHBondContact O-CG 3.49Å; L759-L762 PolarHBondContact O-N 2.05Å; P760-L762 PolarHBondContact O-N 3.35Å; P760-L762 VanDerWaalsContact O-N 3.13Å; L762-I764 VanDerWaalsContact C-N 3.25Å; L762-I764 PolarHBondContact O-N 3.15Å; L762-N765 PolarHBondContact O-N 3.5Å; L762-C768 WeakPolarHBondContact O-CB 3.23Å |
| 763 | L | 81.6 | Confident | 83.9 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -77.3 | -12.1 | 177 | -62.8 | -173.5 | 0 | 0 | 0 | 113.1 | L756 P760 S761 N765 L769 M811 V815 | L756-L763 HydrophobicContact CD1-CD2 4.2Å; L756-L763 HydrophobicContact CD2-CD2 3.68Å; L756-L763 HydrophobicContact CD2-CG 4.08Å; P760-L763 PolarHBondContact O-N 3.05Å; S761-L763 PolarHBondContact O-N 3.41Å; L763-N765 VanDerWaalsContact C-N 3.29Å; L763-L769 HydrophobicContact CD2-CD1 4.04Å; L763-M811 HydrophobicContact CD1-CE 4.34Å; L763-M811 HydrophobicContact CD2-CE 4.02Å; L763-V815 HydrophobicContact CD1-CB 4.26Å; L763-V815 HydrophobicContact CD1-CG1 3.72Å; L763-V815 HydrophobicContact CD1-CG2 4.33Å |
| 764 | I | 78.8 | Confident | 84.2 | Confident | 70 Ų | 70 | 38 Ų | 38 | 36% | 0.359 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -35.8 | 171.4 | -54.9 | 172.5 | 0 | 0 | 0 | 109.9 | S761 L762 K766 P950 C952 | S761-I764 VanDerWaalsContact O-CB 3.27Å; S761-I764 WeakPolarHBondContact O-CB 3.43Å; S761-I764 WeakPolarHBondContact O-CG1 3.32Å; S761-I764 PolarHBondContact O-N 3.39Å; S761-I764 VanDerWaalsContact O-N 3.12Å; L762-I764 VanDerWaalsContact C-N 3.25Å; L762-I764 PolarHBondContact O-N 3.15Å; I764-K766 PolarHBondContact O-N 3.28Å; I764-P950 HydrophobicContact CD1-CG 4.21Å; I764-C952 HydrophobicContact CB-CB 4.25Å; I764-C952 HydrophobicContact CG1-CB 3.98Å |
| 765 | N | 82.7 | Confident | 84.6 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -70.5 | 119.5 | 174.8 | -172 | -33.2 | 0 | 0 | 0 | 110.3 | E716 L762 L763 D767 C768 L769 | E716-N765 PolarHBondContact OE1-ND2 3.42Å; E716-N765 PolarHBondContact OE2-ND2 3.27Å; L762-N765 PolarHBondContact O-N 3.5Å; L763-N765 VanDerWaalsContact C-N 3.29Å; N765-D767 VanDerWaalsContact C-N 3.26Å; N765-D767 PolarHBondContact O-N 2.98Å; N765-D767 PolarHBondContact OD1-N 3.04Å; N765-C768 HydrophobicContact CB-CB 4.09Å; N765-C768 PolarHBondContact O-N 3.27Å; N765-L769 PolarHBondContact O-N 2.98Å |
| 766 | K | 85.4 | Confident | 84.7 | Confident | 105 Ų | 105 | 37 Ų | 37 | 46% | 0.457 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.7 | -41.3 | -179.1 | -166.9 | -158 | -177.6 | -169.8 | 0 | 111.9 | I764 L769 Q770 K953 | I764-K766 PolarHBondContact O-N 3.28Å; K766-L769 PolarHBondContact O-N 3.3Å; K766-Q770 VanDerWaalsContact O-CB 3.29Å; K766-Q770 WeakPolarHBondContact O-CB 3.18Å; K766-Q770 PolarHBondContact O-N 3.31Å; K766-K953 HydrophobicContact CB-CD 3.87Å; K766-K953 HydrophobicContact CD-CD 4.18Å; K766-K953 HydrophobicContact CG-CD 3.68Å |
| 767 | D | 89.7 | Confident | 84.9 | Confident | 94 Ų | 94 | 40.1 Ų | 40.1 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.6 | -38.2 | -172.9 | -59.6 | -31.2 | 0 | 0 | 0 | 110.2 | F720 N765 R771 | F720-D767 HydrophobicContact CE1-CB 4.4Å; F720-D767 HydrophobicContact CZ-CB 3.89Å; N765-D767 VanDerWaalsContact C-N 3.26Å; N765-D767 PolarHBondContact O-N 2.98Å; N765-D767 PolarHBondContact OD1-N 3.04Å; D767-R771 VanDerWaalsContact O-CB 3.26Å; D767-R771 WeakPolarHBondContact O-CB 3.15Å; D767-R771 PolarHBondContact O-N 3.31Å |
| 768 | C | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -50.1 | 172.4 | -65 | 0 | 0 | 0 | 0 | 111.3 | L719 L762 N765 Q770 R771 V772 | L719-C768 HydrophobicContact CD1-CB 4.29Å; L719-C768 HydrophobicContact CD2-CB 4.35Å; L762-C768 WeakPolarHBondContact O-CB 3.23Å; N765-C768 HydrophobicContact CB-CB 4.09Å; N765-C768 PolarHBondContact O-N 3.27Å; C768-Q770 PolarHBondContact O-N 2.92Å; C768-R771 PolarHBondContact O-N 3.43Å; C768-V772 WeakPolarHBondContact O-CG2 3.39Å; C768-V772 PolarHBondContact O-N 3.32Å |
| 769 | L | 88.7 | Confident | 86.2 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.5 | -50.2 | 178.1 | 176.6 | 65.6 | 0 | 0 | 0 | 111.5 | L763 N765 K766 R771 V772 C773 M811 A954 | L763-L769 HydrophobicContact CD2-CD1 4.04Å; N765-L769 PolarHBondContact O-N 2.98Å; K766-L769 PolarHBondContact O-N 3.3Å; L769-R771 VanDerWaalsContact C-N 3.3Å; L769-R771 PolarHBondContact O-N 3.37Å; L769-V772 PolarHBondContact O-N 3.36Å; L769-C773 PolarHBondContact O-N 3.45Å; L769-C773 PolarHBondContact O-SG 2.96Å; L769-M811 HydrophobicContact CD1-CE 3.59Å; L769-A954 HydrophobicContact CD2-CB 3.87Å |
| 770 | Q | 89.8 | Confident | 86.5 | Confident | 94 Ų | 94 | 37.7 Ų | 37.7 | 44% | 0.439 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 178.9 | -179 | 178.8 | -24.2 | 0 | 0 | 110.9 | K766 C768 V772 C773 E774 | K766-Q770 VanDerWaalsContact O-CB 3.29Å; K766-Q770 WeakPolarHBondContact O-CB 3.18Å; K766-Q770 PolarHBondContact O-N 3.31Å; C768-Q770 PolarHBondContact O-N 2.92Å; Q770-V772 PolarHBondContact O-N 3.4Å; Q770-C773 PolarHBondContact O-N 2.89Å; Q770-E774 PolarHBondContact NE2-OE1 3.11Å; Q770-E774 WeakPolarHBondContact O-CG 3.26Å; Q770-E774 PolarHBondContact O-N 3.34Å |
| 771 | R | 92.2 | Very high | 86.7 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | -178.9 | -168.3 | 68.1 | 166.3 | 135.4 | 3.2 | 112.9 | F720 C723 D767 C768 L769 C773 E774 I775 | F720-R771 HydrophobicContact CD1-CB 4.08Å; F720-R771 HydrophobicContact CD1-CG 3.87Å; F720-R771 HydrophobicContact CE1-CB 3.83Å; F720-R771 HydrophobicContact CE1-CG 4.15Å; C723-R771 HydrophobicContact CB-CG 3.78Å; D767-R771 VanDerWaalsContact O-CB 3.26Å; D767-R771 WeakPolarHBondContact O-CB 3.15Å; D767-R771 PolarHBondContact O-N 3.31Å; C768-R771 PolarHBondContact O-N 3.43Å; L769-R771 VanDerWaalsContact C-N 3.3Å; L769-R771 PolarHBondContact O-N 3.37Å; R771-C773 VanDerWaalsContact C-N 3.34Å; R771-E774 WeakPolarHBondContact CD-OE2 3.36Å; R771-E774 IonicContact NH1-OE2 2.69Å; R771-E774 PolarHBondContact NH1-OE2 3.03Å; R771-E774 PolarHBondContact O-N 2.92Å; R771-I775 WeakPolarHBondContact O-CG1 3.44Å; R771-I775 PolarHBondContact O-N 3.01Å; R771-I775 VanDerWaalsContact O-N 3.16Å |
| 772 | V | 92 | Very high | 86.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.6 | 174 | 0 | 0 | 0 | 0 | 110.1 | L719 L756 C768 L769 Q770 E774 I775 I776 L807 M811 | L719-V772 HydrophobicContact CD1-CG2 3.93Å; L719-V772 HydrophobicContact CD2-CG2 4.04Å; L719-V772 HydrophobicContact CG-CG2 4.25Å; L756-V772 HydrophobicContact CD1-CG1 4.04Å; L756-V772 HydrophobicContact CD1-CG2 4.37Å; C768-V772 WeakPolarHBondContact O-CG2 3.39Å; C768-V772 PolarHBondContact O-N 3.32Å; L769-V772 PolarHBondContact O-N 3.36Å; Q770-V772 PolarHBondContact O-N 3.4Å; V772-E774 PolarHBondContact O-N 3Å; V772-I775 PolarHBondContact O-N 3.46Å; V772-I776 HydrophobicContact CG1-CD1 3.78Å; V772-I776 HydrophobicContact CG1-CG1 4.39Å; V772-I776 WeakPolarHBondContact O-CG1 3.49Å; V772-I776 PolarHBondContact O-N 3.29Å; V772-L807 HydrophobicContact CG1-CD2 4.17Å; V772-M811 HydrophobicContact CB-SD 4.49Å; V772-M811 HydrophobicContact CG1-CE 4.1Å; V772-M811 HydrophobicContact CG1-SD 3.4Å; V772-M811 WeakPolarHBondContact CG1-SD 3.3Å |
| 773 | C | 89 | Confident | 86.3 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 31% | 0.311 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 176.2 | -67 | 0 | 0 | 0 | 0 | 112.4 | L769 Q770 R771 I775 I776 E777 | L769-C773 PolarHBondContact O-N 3.45Å; L769-C773 PolarHBondContact O-SG 2.96Å; Q770-C773 PolarHBondContact O-N 2.89Å; R771-C773 VanDerWaalsContact C-N 3.34Å; C773-I775 VanDerWaalsContact C-N 3.29Å; C773-I775 PolarHBondContact O-N 3.48Å; C773-I776 PolarHBondContact O-N 2.93Å; C773-E777 WeakPolarHBondContact O-CG 3.28Å; C773-E777 PolarHBondContact O-N 2.81Å |
| 774 | E | 90.4 | Very high | 85.4 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.4 | -41 | 176.8 | -73.3 | 169.7 | -172.8 | 0 | 0 | 112.4 | Q770 R771 V772 E777 L778 | Q770-E774 PolarHBondContact NE2-OE1 3.11Å; Q770-E774 WeakPolarHBondContact O-CG 3.26Å; Q770-E774 PolarHBondContact O-N 3.34Å; R771-E774 WeakPolarHBondContact CD-OE2 3.36Å; R771-E774 IonicContact NH1-OE2 2.69Å; R771-E774 PolarHBondContact NH1-OE2 3.03Å; R771-E774 PolarHBondContact O-N 2.92Å; V772-E774 PolarHBondContact O-N 3Å; E774-E777 PolarHBondContact O-N 2.88Å; E774-L778 WeakPolarHBondContact O-CB 3.37Å; E774-L778 PolarHBondContact O-N 2.83Å |
| 775 | I | 92.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.2 | -34.5 | 179.8 | -67.4 | -58.8 | 0 | 0 | 0 | 112.2 | C723 I726 Q727 F749 R771 V772 C773 L778 G779 | C723-I775 HydrophobicContact CB-CD1 4.26Å; C723-I775 HydrophobicContact CB-CG1 3.65Å; C723-I775 VanDerWaalsContact O-CD1 3.27Å; C723-I775 WeakPolarHBondContact O-CD1 3.42Å; I726-I775 HydrophobicContact CB-CG2 4.23Å; I726-I775 HydrophobicContact CD1-CG2 3.94Å; I726-I775 HydrophobicContact CG2-CG2 3.79Å; Q727-I775 HydrophobicContact CB-CD1 3.92Å; F749-I775 HydrophobicContact CE1-CG2 3.81Å; F749-I775 HydrophobicContact CZ-CG2 3.81Å; R771-I775 WeakPolarHBondContact O-CG1 3.44Å; R771-I775 PolarHBondContact O-N 3.01Å; R771-I775 VanDerWaalsContact O-N 3.16Å; V772-I775 PolarHBondContact O-N 3.46Å; C773-I775 VanDerWaalsContact C-N 3.29Å; C773-I775 PolarHBondContact O-N 3.48Å; I775-L778 HydrophobicContact CD1-CD2 4.22Å; I775-L778 PolarHBondContact O-N 3.44Å; I775-G779 PolarHBondContact O-N 3.35Å |
| 776 | I | 88.9 | Confident | 82.8 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 171.1 | -71.8 | 166.9 | 0 | 0 | 0 | 109.8 | V772 C773 L778 G779 I780 L807 L808 M811 | V772-I776 HydrophobicContact CG1-CD1 3.78Å; V772-I776 HydrophobicContact CG1-CG1 4.39Å; V772-I776 WeakPolarHBondContact O-CG1 3.49Å; V772-I776 PolarHBondContact O-N 3.29Å; C773-I776 PolarHBondContact O-N 2.93Å; I776-L778 VanDerWaalsContact C-N 3.3Å; I776-L778 PolarHBondContact O-N 3.37Å; I776-G779 PolarHBondContact O-N 3.49Å; I776-G779 VanDerWaalsContact O-N 3.08Å; I776-I780 HydrophobicContact CG2-CD1 3.66Å; I776-I780 HydrophobicContact CG2-CG1 4.37Å; I776-I780 WeakPolarHBondContact O-CG1 3.5Å; I776-I780 PolarHBondContact O-N 3.4Å; I776-L807 HydrophobicContact CD1-CD2 4.21Å; I776-L807 HydrophobicContact CD1-CG 4.07Å; I776-L807 HydrophobicContact CG1-CB 4.48Å; I776-L807 HydrophobicContact CG1-CD2 3.96Å; I776-L807 HydrophobicContact CG1-CG 4.23Å; I776-L808 HydrophobicContact CD1-CB 4.1Å; I776-L808 HydrophobicContact CD1-CD1 4.09Å; I776-L808 HydrophobicContact CG2-CB 3.82Å; I776-L808 HydrophobicContact CG2-CD1 4.17Å; I776-L808 HydrophobicContact CG2-CD2 4.09Å; I776-L808 HydrophobicContact CG2-CG 4.24Å; I776-M811 HydrophobicContact CD1-SD 3.55Å; I776-M811 VanDerWaalsContact CD1-SD 3.55Å |
| 777 | E | 87.2 | Confident | 81.1 | Confident | 65 Ų | 65 | 52 Ų | 52 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57 | -44.8 | 176.1 | -73.9 | -179 | -176.3 | 0 | 0 | 111.3 | C773 E774 G779 I780 Y781 | C773-E777 WeakPolarHBondContact O-CG 3.28Å; C773-E777 PolarHBondContact O-N 2.81Å; E774-E777 PolarHBondContact O-N 2.88Å; E777-G779 VanDerWaalsContact C-N 3.31Å; E777-G779 PolarHBondContact O-N 3.32Å; E777-I780 PolarHBondContact O-N 3.46Å; E777-Y781 HydrophobicContact CB-CD2 4.16Å; E777-Y781 HydrophobicContact CG-CE2 4.38Å; E777-Y781 WeakPolarHBondContact O-CB 3.42Å; E777-Y781 VanDerWaalsContact O-CD2 3.28Å; E777-Y781 WeakPolarHBondContact O-CD2 3.22Å; E777-Y781 PolarHBondContact O-N 3.04Å |
| 778 | L | 88.7 | Confident | 78.9 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 176.3 | -176.3 | 64.1 | 0 | 0 | 0 | 112.2 | Q727 L730 E774 I775 I776 G782 E784 | Q727-L778 HydrophobicContact CB-CD2 4.05Å; Q727-L778 HydrophobicContact CG-CD2 3.88Å; L730-L778 HydrophobicContact CB-CD2 4.38Å; L730-L778 HydrophobicContact CD1-CD2 3.99Å; L730-L778 HydrophobicContact CD1-CG 3.87Å; E774-L778 WeakPolarHBondContact O-CB 3.37Å; E774-L778 PolarHBondContact O-N 2.83Å; I775-L778 HydrophobicContact CD1-CD2 4.22Å; I775-L778 PolarHBondContact O-N 3.44Å; I776-L778 VanDerWaalsContact C-N 3.3Å; I776-L778 PolarHBondContact O-N 3.37Å; L778-G782 WeakPolarHBondContact O-CA 3.46Å; L778-G782 PolarHBondContact O-N 3.07Å; L778-E784 HydrophobicContact CD1-CG 4.22Å |
| 779 | G | 88.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I775 I776 E777 | I775-G779 PolarHBondContact O-N 3.35Å; I776-G779 PolarHBondContact O-N 3.49Å; I776-G779 VanDerWaalsContact O-N 3.08Å; E777-G779 VanDerWaalsContact C-N 3.31Å; E777-G779 PolarHBondContact O-N 3.32Å |
| 780 | I | 84.2 | Confident | 75.3 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -78.4 | -46.1 | -178.7 | -66.1 | 174.6 | 0 | 0 | 0 | 111.4 | I776 E777 P795 A804 L808 | I776-I780 HydrophobicContact CG2-CD1 3.66Å; I776-I780 HydrophobicContact CG2-CG1 4.37Å; I776-I780 WeakPolarHBondContact O-CG1 3.5Å; I776-I780 PolarHBondContact O-N 3.4Å; E777-I780 PolarHBondContact O-N 3.46Å; I780-P795 WeakPolarHBondContact O-CB 3.36Å; I780-A804 HydrophobicContact CG1-CB 3.98Å; I780-L808 HydrophobicContact CD1-CD2 4.17Å |
| 781 | Y | 80.7 | Confident | 73.3 | Confident | 116 Ų | 116 | 67.4 Ų | 67.4 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -101.6 | -18.6 | -171.3 | -56.6 | -64.2 | 0 | 0 | 0 | 114 | E777 C783 K794 | E777-Y781 HydrophobicContact CB-CD2 4.16Å; E777-Y781 HydrophobicContact CG-CE2 4.38Å; E777-Y781 WeakPolarHBondContact O-CB 3.42Å; E777-Y781 VanDerWaalsContact O-CD2 3.28Å; E777-Y781 WeakPolarHBondContact O-CD2 3.22Å; E777-Y781 PolarHBondContact O-N 3.04Å; Y781-C783 VanDerWaalsContact C-N 3.33Å; Y781-K794 CarbonylContact O-C 3.6Å |
| 782 | G | 79.4 | Confident | 71.4 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 78.9 | 11.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L778 | L778-G782 WeakPolarHBondContact O-CA 3.46Å; L778-G782 PolarHBondContact O-N 3.07Å |
| 783 | C | 72 | Confident | 69.7 | Low | 25 Ų | 25 | 77.5 Ų | 77.5 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -157.4 | 159 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 112 | Y781 K793 | Y781-C783 VanDerWaalsContact C-N 3.33Å; C783-K793 WeakPolarHBondContact SG-CD 3.47Å; C783-K793 WeakPolarHBondContact SG-CE 3.3Å; C783-K793 PolarHBondContact SG-NZ 2.96Å |
| 784 | E | 63 | Low | 69 | Low | 86 Ų | 86 | 84 Ų | 84 | 40% | 0.402 | 43% | 0.429 | S | S | . | . | trans | -88.8 | 146.9 | 179.4 | -63.1 | 179.1 | 174.8 | 0 | 0 | 112.9 | Q727 L778 H786 | Q727-E784 PolarHBondContact NE2-OE1 3.49Å; L778-E784 HydrophobicContact CD1-CG 4.22Å; E784-H786 PolarHBondContact O-N 3.5Å | ||
| 785 | G | 54.3 | Low | 68.5 | Low | 25 Ų | 25 | 82.9 Ų | 82.9 | 26% | 0.258 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 16.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | F788 | G785-F788 VanDerWaalsContact O-CD2 3.27Å; G785-F788 WeakPolarHBondContact O-CD2 3.24Å; G785-F788 WeakPolarHBondContact O-CE2 3.43Å |
| 786 | H | 53.4 | Low | 68 | Low | 190 Ų | 190 | 84.9 Ų | 84.9 | 88% | 0.88 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 1.5 | 175.8 | -75.4 | 76.7 | 0 | 0 | 0 | 114.6 | E784 | E784-H786 PolarHBondContact O-N 3.5Š|
| 787 | Q | 48.1 | Very low | 67.8 | Low | 139 Ų | 139 | 85.6 Ų | 85.6 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | trans | -122.3 | 58.9 | 179.5 | -70.5 | 178.7 | -9.4 | 0 | 0 | 111.1 | N789 K793 | Q787-N789 PolarHBondContact O-N 3.02Å; Q787-K793 VanDerWaalsContact O-CE 3.24Å; Q787-K793 WeakPolarHBondContact O-CE 3.12Å; Q787-K793 PolarHBondContact O-NZ 3.46Å | ||
| 788 | F | 44.6 | Very low | 67.5 | Low | 150 Ų | 150 | 85.6 Ų | 85.6 | 66% | 0.658 | 45% | 0.449 | S | S | * | . | trans | -72.6 | 72.2 | 176.9 | -74.6 | -77.8 | 0 | 0 | 0 | 111.9 | G785 | G785-F788 VanDerWaalsContact O-CD2 3.27Å; G785-F788 WeakPolarHBondContact O-CD2 3.24Å; G785-F788 WeakPolarHBondContact O-CE2 3.43Å | ||
| 789 | N | 53.1 | Low | 67.2 | Low | 139 Ų | 139 | 86.2 Ų | 86.2 | 74% | 0.743 | 45% | 0.45 | S | S | * | . | trans | -107.4 | 103.5 | 154.7 | -108.4 | -14.5 | 0 | 0 | 0 | 106.7 | Q787 S791 | Q787-N789 PolarHBondContact O-N 3.02Å; N789-S791 PolarHBondContact O-N 3.34Å | ||
| 790 | V | 49 | Very low | 67.2 | Low | 130 Ų | 130 | 86.2 Ų | 86.2 | 79% | 0.788 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -65.8 | -19.6 | -167.2 | 177.2 | 0 | 0 | 0 | 0 | 113 | E792 | V790-E792 PolarHBondContact O-N 2.78Š|
| 791 | S | 48.5 | Very low | 67.3 | Low | 118 Ų | 118 | 87.3 Ų | 87.3 | 83% | 0.825 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -78.2 | -9.6 | -165.1 | -55.3 | 0 | 0 | 0 | 0 | 117.1 | N789 | N789-S791 PolarHBondContact O-N 3.34Š|
| 792 | E | 51.9 | Low | 67.2 | Low | 186 Ų | 186 | 84.6 Ų | 84.6 | 87% | 0.869 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -137.3 | 22.3 | -172.9 | -76.1 | -164.8 | 155.9 | 0 | 0 | 116.8 | V790 | V790-E792 PolarHBondContact O-N 2.78Š|
| 793 | K | 57 | Low | 67.6 | Low | 69 Ų | 69 | 83.3 Ų | 83.3 | 30% | 0.3 | 43% | 0.434 | S | S | . | . | trans | -104.8 | 123.2 | -174.2 | -74.3 | 166.8 | 163.9 | -150.6 | 0 | 112.6 | C783 Q787 | C783-K793 WeakPolarHBondContact SG-CD 3.47Å; C783-K793 WeakPolarHBondContact SG-CE 3.3Å; C783-K793 PolarHBondContact SG-NZ 2.96Å; Q787-K793 VanDerWaalsContact O-CE 3.24Å; Q787-K793 WeakPolarHBondContact O-CE 3.12Å; Q787-K793 PolarHBondContact O-NZ 3.46Å | ||
| 794 | K | 72.8 | Confident | 68.3 | Low | 181 Ų | 181 | 82.1 Ų | 82.1 | 79% | 0.787 | 43% | 0.426 | S | S | * | . | trans | -127.2 | 138 | 179.1 | -71.4 | -179.2 | -179.4 | 173.8 | 0 | 109.7 | Y781 | Y781-K794 CarbonylContact O-C 3.6Š| ||
| 795 | P | 81.7 | Confident | 69.1 | Low | 38 Ų | 38 | 79.4 Ų | 79.4 | 25% | 0.247 | 41% | 0.414 | C | S | . | . | trans | -61.9 | 152.4 | 175.4 | 25.9 | -34.3 | 0 | 0 | 0 | 111.5 | I780 S797 H801 | I780-P795 WeakPolarHBondContact O-CB 3.36Å; P795-S797 PolarHBondContact O-N 2.8Å; P795-H801 HydrophobicContact CB-CB 3.79Å; P795-H801 HydrophobicContact CG-CB 3.84Å | ||
| 796 | A | 81.3 | Confident | 70.2 | Confident | 42 Ų | 42 | 81.4 Ų | 81.4 | 35% | 0.347 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -58.9 | -31.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L730 | L730-A796 HydrophobicContact CD2-CB 3.59Š|
| 797 | S | 85.4 | Confident | 71.6 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | trans | -157.1 | 158.8 | 163.4 | 71.5 | 0 | 0 | 0 | 0 | 110.5 | H742 P795 R799 V800 H801 | H742-S797 VanDerWaalsContact CE1-CB 3.47Å; H742-S797 WeakPolarHBondContact CE1-CB 3.5Å; H742-S797 WeakPolarHBondContact ND1-CB 3.39Å; P795-S797 PolarHBondContact O-N 2.8Å; S797-R799 VanDerWaalsContact C-N 3.26Å; S797-R799 PolarHBondContact O-N 2.94Å; S797-V800 PolarHBondContact O-N 3.41Å; S797-V800 VanDerWaalsContact OG-CG2 3.27Å; S797-V800 WeakPolarHBondContact OG-CG2 2.99Å; S797-V800 PolarHBondContact OG-N 3.26Å; S797-H801 PolarHBondContact O-N 3.2Å | ||
| 798 | Q | 79.9 | Confident | 73.2 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.9 | -36.5 | 174.8 | -171.1 | 66.4 | 56 | 0 | 0 | 112.2 | V800 H801 D802 I1319 K1323 | Q798-V800 VanDerWaalsContact C-N 3.32Å; Q798-V800 PolarHBondContact O-N 2.88Å; Q798-H801 PolarHBondContact NE2-ND1 3.01Å; Q798-H801 WeakPolarHBondContact O-CB 3.3Å; Q798-H801 PolarHBondContact O-N 2.92Å; Q798-D802 PolarHBondContact NE2-OD1 3.34Å; Q798-D802 PolarHBondContact O-N 3.33Å; Q798-I1319 HydrophobicContact CG-CD1 4.45Å; Q798-I1319 HydrophobicContact CG-CG2 4.07Å; Q798-K1323 VanDerWaalsContact OE1-NZ 3.15Å |
| 799 | R | 81.8 | Confident | 74.2 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 178.9 | -64.4 | -179.4 | 69 | -161.9 | 5.7 | 112.3 | S743 V746 S797 A803 L1312 E1315 | S743-R799 PolarHBondContact OG-NH1 3.15Å; V746-R799 HydrophobicContact CG2-CB 3.99Å; S797-R799 VanDerWaalsContact C-N 3.26Å; S797-R799 PolarHBondContact O-N 2.94Å; R799-A803 WeakPolarHBondContact O-CB 3.28Å; R799-A803 PolarHBondContact O-N 3.15Å; R799-A803 VanDerWaalsContact O-N 3.07Å; R799-L1312 PolarHBondContact NH1-O 2.88Å; R799-L1312 PolarHBondContact NH2-O 3.47Å; R799-E1315 IonicContact CZ-OE2 2.65Å; R799-E1315 IonicContact NE-OE2 3.96Å; R799-E1315 PolarHBondContact NE-OE2 3.37Å; R799-E1315 IonicContact NH2-OE2 3.65Å; R799-E1315 PolarHBondContact NH2-OE2 2.98Å |
| 800 | V | 88.5 | Confident | 75 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 175 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L730 H742 I745 F749 S797 Q798 D802 A803 A804 | L730-V800 HydrophobicContact CD1-CG1 4.36Å; L730-V800 HydrophobicContact CD2-CG1 4.03Å; H742-V800 HydrophobicContact CB-CG2 4.47Å; I745-V800 HydrophobicContact CB-CG2 4.21Å; I745-V800 HydrophobicContact CG2-CG1 4.09Å; I745-V800 HydrophobicContact CG2-CG2 3.81Å; F749-V800 HydrophobicContact CE2-CG1 4.05Å; S797-V800 PolarHBondContact O-N 3.41Å; S797-V800 VanDerWaalsContact OG-CG2 3.27Å; S797-V800 WeakPolarHBondContact OG-CG2 2.99Å; S797-V800 PolarHBondContact OG-N 3.26Å; Q798-V800 VanDerWaalsContact C-N 3.32Å; Q798-V800 PolarHBondContact O-N 2.88Å; V800-D802 PolarHBondContact O-N 2.94Å; V800-A803 PolarHBondContact O-N 3.19Å; V800-A804 WeakPolarHBondContact O-CB 3.25Å; V800-A804 PolarHBondContact O-N 2.88Å |
| 801 | H | 86.4 | Confident | 76.1 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.4 | -52 | 173.3 | 166.7 | -77.2 | 0 | 0 | 0 | 111.3 | P795 S797 Q798 A803 A804 D805 | P795-H801 HydrophobicContact CB-CB 3.79Å; P795-H801 HydrophobicContact CG-CB 3.84Å; S797-H801 PolarHBondContact O-N 3.2Å; Q798-H801 PolarHBondContact NE2-ND1 3.01Å; Q798-H801 WeakPolarHBondContact O-CB 3.3Å; Q798-H801 PolarHBondContact O-N 2.92Å; H801-A803 VanDerWaalsContact C-N 3.28Å; H801-A803 PolarHBondContact O-N 3.12Å; H801-A804 PolarHBondContact O-N 3.32Å; H801-D805 VanDerWaalsContact O-CB 3.23Å; H801-D805 WeakPolarHBondContact O-CB 3.07Å; H801-D805 PolarHBondContact O-N 3.44Å |
| 802 | D | 79.8 | Confident | 76.9 | Confident | 58 Ų | 58 | 57 Ų | 57 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -35.5 | -176.4 | -59.9 | -14.8 | 0 | 0 | 0 | 111.6 | Q798 V800 Q806 I1319 | Q798-D802 PolarHBondContact NE2-OD1 3.34Å; Q798-D802 PolarHBondContact O-N 3.33Å; V800-D802 PolarHBondContact O-N 2.94Å; D802-Q806 WeakPolarHBondContact O-CB 3.13Å; D802-Q806 PolarHBondContact O-N 3.26Å; D802-I1319 WeakPolarHBondContact OD2-CD1 3.49Å |
| 803 | A | 86.2 | Confident | 77.2 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V746 F749 R799 V800 H801 Q806 L807 | V746-A803 HydrophobicContact CB-CB 4.42Å; V746-A803 HydrophobicContact CG1-CB 4.15Å; V746-A803 HydrophobicContact CG2-CB 4.17Å; F749-A803 HydrophobicContact CB-CB 3.77Å; F749-A803 HydrophobicContact CD2-CB 4.2Å; F749-A803 HydrophobicContact CG-CB 4.11Å; R799-A803 WeakPolarHBondContact O-CB 3.28Å; R799-A803 PolarHBondContact O-N 3.15Å; R799-A803 VanDerWaalsContact O-N 3.07Å; V800-A803 PolarHBondContact O-N 3.19Å; H801-A803 VanDerWaalsContact C-N 3.28Å; H801-A803 PolarHBondContact O-N 3.12Å; A803-Q806 PolarHBondContact O-N 3.45Å; A803-L807 PolarHBondContact O-N 3.47Å |
| 804 | A | 87.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.5 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F749 I780 V800 H801 Q806 L807 L808 | F749-A804 HydrophobicContact CD1-CB 4.19Å; F749-A804 HydrophobicContact CE1-CB 3.65Å; F749-A804 HydrophobicContact CE2-CB 4.44Å; F749-A804 HydrophobicContact CZ-CB 3.8Å; I780-A804 HydrophobicContact CG1-CB 3.98Å; V800-A804 WeakPolarHBondContact O-CB 3.25Å; V800-A804 PolarHBondContact O-N 2.88Å; H801-A804 PolarHBondContact O-N 3.32Å; A804-Q806 VanDerWaalsContact C-N 3.34Å; A804-L807 PolarHBondContact O-N 3.02Å; A804-L808 PolarHBondContact O-N 3.33Å |
| 805 | D | 80.7 | Confident | 76.7 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 174.8 | -178.6 | 41.9 | 0 | 0 | 0 | 111.3 | H801 L808 R809 | H801-D805 VanDerWaalsContact O-CB 3.23Å; H801-D805 WeakPolarHBondContact O-CB 3.07Å; H801-D805 PolarHBondContact O-N 3.44Å; D805-L808 PolarHBondContact O-N 2.91Å; D805-R809 VanDerWaalsContact CG-CZ 3.43Å; D805-R809 VanDerWaalsContact CG-NH1 3.28Å; D805-R809 VanDerWaalsContact CG-NH2 3.25Å; D805-R809 WeakPolarHBondContact O-CG 2.95Å; D805-R809 PolarHBondContact O-N 3.42Å; D805-R809 IonicContact OD1-CZ 3.83Å; D805-R809 IonicContact OD1-NE 3.94Å; D805-R809 IonicContact OD1-NH1 2.88Å; D805-R809 IonicContact OD1-NH2 3.8Å; D805-R809 PolarHBondContact OD1-NH2 2.95Å; D805-R809 VanDerWaalsContact OD1-NH2 3.1Å; D805-R809 IonicContact OD2-CZ 2.65Å; D805-R809 IonicContact OD2-NH1 3.34Å; D805-R809 PolarHBondContact OD2-NH1 3.32Å; D805-R809 IonicContact OD2-NH2 2.7Å; D805-R809 PolarHBondContact OD2-NH2 3.18Å |
| 806 | Q | 76.6 | Confident | 75.3 | Confident | 66 Ų | 66 | 41.4 Ų | 41.4 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 171.6 | 177.6 | 61.2 | 24.5 | 0 | 0 | 112.3 | E753 D802 A803 A804 L808 R809 C810 | E753-Q806 PolarHBondContact OE1-NE2 2.79Å; D802-Q806 WeakPolarHBondContact O-CB 3.13Å; D802-Q806 PolarHBondContact O-N 3.26Å; A803-Q806 PolarHBondContact O-N 3.45Å; A804-Q806 VanDerWaalsContact C-N 3.34Å; Q806-L808 VanDerWaalsContact C-N 3.34Å; Q806-L808 PolarHBondContact O-N 3.25Å; Q806-R809 PolarHBondContact O-N 2.68Å; Q806-C810 WeakPolarHBondContact O-CB 3.29Å; Q806-C810 PolarHBondContact O-N 3.09Å |
| 807 | L | 83.4 | Confident | 73.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 176.9 | 179.3 | 61.1 | 0 | 0 | 0 | 111.4 | F749 L752 E753 L756 V772 I776 A803 A804 R809 C810 M811 | F749-L807 HydrophobicContact CD1-CB 4.34Å; F749-L807 HydrophobicContact CD1-CD2 3.77Å; F749-L807 HydrophobicContact CE1-CD2 4.28Å; L752-L807 HydrophobicContact CB-CD1 4.21Å; L752-L807 HydrophobicContact CB-CD2 3.93Å; L752-L807 HydrophobicContact CD1-CD2 4.15Å; E753-L807 VanDerWaalsContact CA-CD1 3.49Å; E753-L807 HydrophobicContact CB-CD1 3.88Å; L756-L807 HydrophobicContact CD1-CD1 4.01Å; V772-L807 HydrophobicContact CG1-CD2 4.17Å; I776-L807 HydrophobicContact CD1-CD2 4.21Å; I776-L807 HydrophobicContact CD1-CG 4.07Å; I776-L807 HydrophobicContact CG1-CB 4.48Å; I776-L807 HydrophobicContact CG1-CD2 3.96Å; I776-L807 HydrophobicContact CG1-CG 4.23Å; A803-L807 PolarHBondContact O-N 3.47Å; A804-L807 PolarHBondContact O-N 3.02Å; L807-R809 PolarHBondContact O-N 3.34Å; L807-C810 WeakPolarHBondContact O-CB 3.45Å; L807-C810 PolarHBondContact O-N 3.07Å; L807-M811 WeakPolarHBondContact O-CG 3.12Å; L807-M811 PolarHBondContact O-N 2.89Å |
| 808 | L | 81.3 | Confident | 71.9 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58 | -47.9 | 176.4 | -175.9 | 59.6 | 0 | 0 | 0 | 111.6 | I776 I780 A804 D805 Q806 C810 M811 F812 | I776-L808 HydrophobicContact CD1-CB 4.1Å; I776-L808 HydrophobicContact CD1-CD1 4.09Å; I776-L808 HydrophobicContact CG2-CB 3.82Å; I776-L808 HydrophobicContact CG2-CD1 4.17Å; I776-L808 HydrophobicContact CG2-CD2 4.09Å; I776-L808 HydrophobicContact CG2-CG 4.24Å; I780-L808 HydrophobicContact CD1-CD2 4.17Å; A804-L808 PolarHBondContact O-N 3.33Å; D805-L808 PolarHBondContact O-N 2.91Å; Q806-L808 VanDerWaalsContact C-N 3.34Å; Q806-L808 PolarHBondContact O-N 3.25Å; L808-C810 VanDerWaalsContact C-N 3.34Å; L808-C810 PolarHBondContact O-N 3.46Å; L808-M811 PolarHBondContact O-N 3.15Å; L808-F812 HydrophobicContact CD1-CD2 4.29Å; L808-F812 HydrophobicContact CD1-CE2 3.67Å; L808-F812 HydrophobicContact CG-CE2 4.3Å; L808-F812 VanDerWaalsContact O-CD2 3.3Å; L808-F812 WeakPolarHBondContact O-CD2 2.95Å |
| 809 | R | 66.4 | Low | 70.2 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 39% | 0.389 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.5 | -73.2 | -173.3 | -174.6 | 108.1 | 14.2 | 111.7 | D805 Q806 L807 M811 F812 S813 | D805-R809 VanDerWaalsContact CG-CZ 3.43Å; D805-R809 VanDerWaalsContact CG-NH1 3.28Å; D805-R809 VanDerWaalsContact CG-NH2 3.25Å; D805-R809 WeakPolarHBondContact O-CG 2.95Å; D805-R809 PolarHBondContact O-N 3.42Å; D805-R809 IonicContact OD1-CZ 3.83Å; D805-R809 IonicContact OD1-NE 3.94Å; D805-R809 IonicContact OD1-NH1 2.88Å; D805-R809 IonicContact OD1-NH2 3.8Å; D805-R809 PolarHBondContact OD1-NH2 2.95Å; D805-R809 VanDerWaalsContact OD1-NH2 3.1Å; D805-R809 IonicContact OD2-CZ 2.65Å; D805-R809 IonicContact OD2-NH1 3.34Å; D805-R809 PolarHBondContact OD2-NH1 3.32Å; D805-R809 IonicContact OD2-NH2 2.7Å; D805-R809 PolarHBondContact OD2-NH2 3.18Å; Q806-R809 PolarHBondContact O-N 2.68Å; L807-R809 PolarHBondContact O-N 3.34Å; R809-M811 VanDerWaalsContact C-N 3.29Å; R809-M811 PolarHBondContact O-N 3.36Å; R809-F812 PolarHBondContact O-N 2.9Å; R809-S813 WeakPolarHBondContact O-CB 3.45Å; R809-S813 PolarHBondContact O-N 3.1Å; R809-S813 PolarHBondContact O-OG 3.17Å |
| 810 | C | 68.9 | Low | 68.2 | Low | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 179.2 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | E753 I757 Q806 L807 L808 F812 S813 R814 V815 | E753-C810 HydrophobicContact CG-CB 3.85Å; I757-C810 VanDerWaalsContact CD1-SG 3.52Å; I757-C810 WeakPolarHBondContact CG1-SG 3.09Å; Q806-C810 WeakPolarHBondContact O-CB 3.29Å; Q806-C810 PolarHBondContact O-N 3.09Å; L807-C810 WeakPolarHBondContact O-CB 3.45Å; L807-C810 PolarHBondContact O-N 3.07Å; L808-C810 VanDerWaalsContact C-N 3.34Å; L808-C810 PolarHBondContact O-N 3.46Å; C810-F812 VanDerWaalsContact C-N 3.29Å; C810-F812 PolarHBondContact O-N 3.02Å; C810-S813 PolarHBondContact O-N 3.32Å; C810-R814 PolarHBondContact O-N 3.39Å; C810-V815 PolarHBondContact O-N 3.25Å |
| 811 | M | 72.7 | Confident | 65.9 | Low | 22 Ų | 22 | 55.1 Ų | 55.1 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 178.5 | -74.4 | 175.5 | 63 | 0 | 0 | 113.4 | L756 L763 L769 V772 I776 L807 L808 R809 | L756-M811 HydrophobicContact CD1-CG 3.88Å; L756-M811 HydrophobicContact CD1-SD 4.21Å; L763-M811 HydrophobicContact CD1-CE 4.34Å; L763-M811 HydrophobicContact CD2-CE 4.02Å; L769-M811 HydrophobicContact CD1-CE 3.59Å; V772-M811 HydrophobicContact CB-SD 4.49Å; V772-M811 HydrophobicContact CG1-CE 4.1Å; V772-M811 HydrophobicContact CG1-SD 3.4Å; V772-M811 WeakPolarHBondContact CG1-SD 3.3Å; I776-M811 HydrophobicContact CD1-SD 3.55Å; I776-M811 VanDerWaalsContact CD1-SD 3.55Å; L807-M811 WeakPolarHBondContact O-CG 3.12Å; L807-M811 PolarHBondContact O-N 2.89Å; L808-M811 PolarHBondContact O-N 3.15Å; R809-M811 VanDerWaalsContact C-N 3.29Å; R809-M811 PolarHBondContact O-N 3.36Å |
| 812 | F | 65.6 | Low | 63.8 | Low | 171 Ų | 171 | 56.6 Ų | 56.6 | 75% | 0.75 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -87.5 | -24.5 | -179.1 | -70.5 | -69.1 | 0 | 0 | 0 | 114.2 | L808 R809 C810 | L808-F812 HydrophobicContact CD1-CD2 4.29Å; L808-F812 HydrophobicContact CD1-CE2 3.67Å; L808-F812 HydrophobicContact CG-CE2 4.3Å; L808-F812 VanDerWaalsContact O-CD2 3.3Å; L808-F812 WeakPolarHBondContact O-CD2 2.95Å; R809-F812 PolarHBondContact O-N 2.9Å; C810-F812 VanDerWaalsContact C-N 3.29Å; C810-F812 PolarHBondContact O-N 3.02Å |
| 813 | S | 57.8 | Low | 62.2 | Low | 38 Ų | 38 | 54.5 Ų | 54.5 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -106.3 | -31.6 | -171.3 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | R809 C810 D817 T906 | R809-S813 WeakPolarHBondContact O-CB 3.45Å; R809-S813 PolarHBondContact O-N 3.1Å; R809-S813 PolarHBondContact O-OG 3.17Å; C810-S813 PolarHBondContact O-N 3.32Å; S813-D817 VanDerWaalsContact O-OD2 3.13Å; S813-T906 VanDerWaalsContact O-CG2 3.25Å; S813-T906 WeakPolarHBondContact O-CG2 3.26Å |
| 814 | R | 58.3 | Low | 60.4 | Low | 21 Ų | 21 | 55.5 Ų | 55.5 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -20.7 | -166.2 | -56.1 | -170.7 | 66.8 | 137 | 9.3 | 115 | C810 G816 D817 F819 P1148 | C810-R814 PolarHBondContact O-N 3.39Å; R814-G816 PolarHBondContact O-N 3.36Å; R814-D817 PolarHBondContact O-N 3.41Å; R814-F819 HydrophobicContact CB-CZ 4.47Å; R814-P1148 PolarHBondContact NH1-O 3.01Å; R814-P1148 PolarHBondContact NH2-O 2.93Å |
| 815 | V | 61.7 | Low | 58.6 | Low | 32 Ų | 32 | 56.4 Ų | 56.4 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 115.9 | -176.7 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | L756 P760 L763 C810 | L756-V815 HydrophobicContact CB-CG2 4.08Å; L756-V815 WeakPolarHBondContact O-CG1 3.5Å; P760-V815 HydrophobicContact CB-CG1 3.57Å; L763-V815 HydrophobicContact CD1-CB 4.26Å; L763-V815 HydrophobicContact CD1-CG1 3.72Å; L763-V815 HydrophobicContact CD1-CG2 4.33Å; C810-V815 PolarHBondContact O-N 3.25Å |
| 816 | G | 52.2 | Low | 57.3 | Low | 57 Ų | 57 | 55.1 Ų | 55.1 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.4 | -7.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R814 | R814-G816 PolarHBondContact O-N 3.36Š|
| 817 | D | 48.5 | Very low | 56.3 | Low | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | trans | -69.5 | 136.6 | 178.2 | -79.3 | -20.1 | 0 | 0 | 0 | 112.3 | S813 R814 F819 | S813-D817 VanDerWaalsContact O-OD2 3.13Å; R814-D817 PolarHBondContact O-N 3.41Å; D817-F819 HydrophobicContact CB-CE1 4.17Å; D817-F819 HydrophobicContact CB-CE2 4.45Å; D817-F819 HydrophobicContact CB-CZ 4.04Å; D817-F819 WeakPolarHBondContact O-CD2 3.47Å; D817-F819 WeakPolarHBondContact O-CE2 3.43Å; D817-F819 PolarHBondContact O-N 2.66Å | ||
| 818 | S | 45 | Very low | 55.3 | Low | 107 Ų | 107 | 53.7 Ų | 53.7 | 75% | 0.748 | 29% | 0.292 | S | S | * | . | trans | -77.2 | 106.6 | 164 | 58.9 | 0 | 0 | 0 | 0 | 109 | E820 | S818-E820 VanDerWaalsContact C-N 3.27Å; S818-E820 PolarHBondContact O-N 3.02Å | ||
| 819 | F | 45.2 | Very low | 54.4 | Low | 86 Ų | 86 | 55.5 Ų | 55.5 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | trans | -76.9 | 77 | 175.4 | -57.6 | -76.7 | 0 | 0 | 0 | 110.6 | I757 R814 D817 P1148 | I757-F819 HydrophobicContact CG2-CD2 4.49Å; I757-F819 HydrophobicContact CG2-CE2 3.38Å; I757-F819 HydrophobicContact CG2-CZ 3.64Å; R814-F819 HydrophobicContact CB-CZ 4.47Å; D817-F819 HydrophobicContact CB-CE1 4.17Å; D817-F819 HydrophobicContact CB-CE2 4.45Å; D817-F819 HydrophobicContact CB-CZ 4.04Å; D817-F819 WeakPolarHBondContact O-CD2 3.47Å; D817-F819 WeakPolarHBondContact O-CE2 3.43Å; D817-F819 PolarHBondContact O-N 2.66Å; F819-P1148 HydrophobicContact CD1-CB 4.3Å; F819-P1148 HydrophobicContact CD1-CG 4.15Å; F819-P1148 HydrophobicContact CD2-CG 3.72Å; F819-P1148 HydrophobicContact CE1-CB 3.94Å; F819-P1148 HydrophobicContact CE1-CG 4.11Å; F819-P1148 HydrophobicContact CE2-CB 4.22Å; F819-P1148 HydrophobicContact CE2-CG 3.65Å; F819-P1148 HydrophobicContact CG-CG 3.98Å; F819-P1148 HydrophobicContact CZ-CB 3.88Å; F819-P1148 HydrophobicContact CZ-CG 3.85Å | ||
| 820 | E | 40.1 | Very low | 54 | Low | 137 Ų | 137 | 54 Ų | 54 | 64% | 0.64 | 30% | 0.297 | S | S | * | . | trans | -81.9 | 142.6 | 154.1 | -74.5 | -174 | 172.1 | 0 | 0 | 108.6 | S818 I822 | S818-E820 VanDerWaalsContact C-N 3.27Å; S818-E820 PolarHBondContact O-N 3.02Å; E820-I822 HydrophobicContact CB-CG1 4.42Å; E820-I822 PolarHBondContact O-N 2.88Å | ||
| 821 | P | 39.6 | Very low | 53.4 | Low | 68 Ų | 68 | 53.9 Ų | 53.9 | 44% | 0.442 | 30% | 0.297 | S | S | . | . | trans | -71.7 | 77.4 | 178.4 | 29.2 | -32.7 | 0 | 0 | 0 | 110.3 | T823 | P821-T823 HydrophobicContact CB-CG2 4.1Å; P821-T823 PolarHBondContact O-N 3.37Å; P821-T823 PolarHBondContact O-OG1 3.13Å | ||
| 822 | I | 41.9 | Very low | 52.8 | Low | 77 Ų | 77 | 55.1 Ų | 55.1 | 40% | 0.395 | 30% | 0.303 | S | S | . | . | trans | -83.5 | 108.9 | 171.5 | -41.2 | 176.9 | 0 | 0 | 0 | 107.5 | E820 Y877 C878 | E820-I822 HydrophobicContact CB-CG1 4.42Å; E820-I822 PolarHBondContact O-N 2.88Å; I822-Y877 HydrophobicContact CG2-CD1 4.16Å; I822-C878 HydrophobicContact CB-CB 4.17Å; I822-C878 HydrophobicContact CG2-CB 3.49Å; I822-C878 VanDerWaalsContact CG2-CB 3.49Å; I822-C878 VanDerWaalsContact CG2-SG 3.6Å | ||
| 823 | T | 47.7 | Very low | 52.5 | Low | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | trans | -136.3 | 12.9 | -157.2 | 53.4 | 0 | 0 | 0 | 0 | 115.9 | P821 L825 A1105 L1106 | P821-T823 HydrophobicContact CB-CG2 4.1Å; P821-T823 PolarHBondContact O-N 3.37Å; P821-T823 PolarHBondContact O-OG1 3.13Å; T823-L825 PolarHBondContact O-N 2.87Å; T823-A1105 PolarHBondContact O-N 3.09Å; T823-L1106 HydrophobicContact CG2-CD2 3.27Å; T823-L1106 HydrophobicContact CG2-CG 4.21Å | ||
| 824 | S | 47.2 | Very low | 52.3 | Low | 33 Ų | 33 | 50.8 Ų | 50.8 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | trans | -85.6 | 104 | 177.2 | 53 | 0 | 0 | 0 | 0 | 111.9 | Q826 Y877 C878 | S824-Q826 WeakPolarHBondContact O-CG 3.18Å; S824-Q826 PolarHBondContact O-N 2.74Å; S824-Y877 PolarHBondContact OG-O 3.01Å; S824-C878 CarbonylContact C-O 3.49Å; S824-C878 CarbonylContact O-C 3.6Å; S824-C878 VanDerWaalsContact O-C 3.3Å | ||
| 825 | L | 49.6 | Very low | 51.9 | Low | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | trans | -57 | 109.3 | 176.3 | -172.7 | 96.6 | 0 | 0 | 0 | 111 | T823 T879 A1105 T1117 | T823-L825 PolarHBondContact O-N 2.87Å; L825-T879 WeakPolarHBondContact CA-OG1 3.44Å; L825-T879 HydrophobicContact CB-CG2 4.34Å; L825-T879 HydrophobicContact CD1-CG2 4.11Å; L825-T879 WeakPolarHBondContact CD1-OG1 3.4Å; L825-A1105 HydrophobicContact CB-CB 3.32Å; L825-A1105 HydrophobicContact CG-CB 4.46Å; L825-T1117 HydrophobicContact CB-CG2 4.35Å | ||
| 826 | Q | 53.4 | Low | 51.6 | Low | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | trans | -99.3 | 84.8 | 178.4 | -65.9 | -164.9 | -26 | 0 | 0 | 110.2 | S824 Y830 Y877 T879 S880 M882 | S824-Q826 WeakPolarHBondContact O-CG 3.18Å; S824-Q826 PolarHBondContact O-N 2.74Å; Q826-Y830 HydrophobicContact CB-CD1 4.03Å; Q826-Y830 HydrophobicContact CB-CG 4.34Å; Q826-Y830 HydrophobicContact CG-CD1 3.71Å; Q826-Y830 HydrophobicContact CG-CE1 3.9Å; Q826-Y830 HydrophobicContact CG-CG 4.07Å; Q826-Y830 VanDerWaalsContact NE2-CZ 3.32Å; Q826-Y830 PolarHBondContact NE2-OH 2.77Å; Q826-Y877 WeakPolarHBondContact CG-O 3.3Å; Q826-Y877 PolarHBondContact NE2-O 3.31Å; Q826-Y877 VanDerWaalsContact OE1-C 3.31Å; Q826-Y877 PolarHBondContact OE1-O 3.34Å; Q826-T879 PolarHBondContact N-OG1 2.93Å; Q826-S880 VanDerWaalsContact O-CB 3.3Å; Q826-S880 WeakPolarHBondContact O-CB 3.36Å; Q826-S880 PolarHBondContact O-OG 2.89Å; Q826-M882 HydrophobicContact CB-CE 3.89Å; Q826-M882 WeakPolarHBondContact O-CE 3.48Å | ||
| 827 | D | 56.2 | Low | 51.4 | Low | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | trans | -82.7 | -174.4 | 172.3 | 70.6 | -9.6 | 0 | 0 | 0 | 111.4 | N829 Y830 L831 | D827-N829 PolarHBondContact O-N 3.38Å; D827-N829 WeakPolarHBondContact OD1-CB 3.34Å; D827-N829 PolarHBondContact OD1-N 3Å; D827-N829 VanDerWaalsContact OD1-N 3.13Å; D827-N829 PolarHBondContact OD2-ND2 3.2Å; D827-Y830 PolarHBondContact O-N 3.1Å; D827-Y830 PolarHBondContact OD1-N 2.9Å; D827-L831 PolarHBondContact O-N 3.34Å | ||
| 828 | E | 62 | Low | 51.5 | Low | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.8 | -34.6 | 174.6 | -63.6 | 84.5 | 170.3 | 0 | 0 | 112.1 | L831 I832 F848 Y850 I897 R899 | E828-L831 WeakPolarHBondContact O-CB 3.47Å; E828-L831 PolarHBondContact O-N 2.84Å; E828-I832 WeakPolarHBondContact O-CD1 3.47Å; E828-I832 WeakPolarHBondContact O-CG1 3.47Å; E828-I832 PolarHBondContact O-N 3.27Å; E828-F848 HydrophobicContact CB-CD2 3.94Å; E828-F848 HydrophobicContact CB-CE2 3.58Å; E828-F848 HydrophobicContact CB-CZ 4Å; E828-F848 HydrophobicContact CG-CD1 4.04Å; E828-F848 HydrophobicContact CG-CD2 3.57Å; E828-F848 HydrophobicContact CG-CE1 4.07Å; E828-F848 HydrophobicContact CG-CE2 3.6Å; E828-F848 HydrophobicContact CG-CG 3.8Å; E828-F848 HydrophobicContact CG-CZ 3.85Å; E828-Y850 WeakPolarHBondContact CG-OH 3.39Å; E828-Y850 WeakPolarHBondContact OE1-CE1 3.48Å; E828-Y850 VanDerWaalsContact OE1-CZ 3.25Å; E828-Y850 PolarHBondContact OE1-OH 3.43Å; E828-I897 HydrophobicContact CG-CD1 3.79Å; E828-R899 IonicContact OE1-CZ 3Å; E828-R899 IonicContact OE1-NH1 2.92Å; E828-R899 PolarHBondContact OE1-NH1 2.79Å; E828-R899 IonicContact OE1-NH2 2.84Å; E828-R899 PolarHBondContact OE1-NH2 2.94Å; E828-R899 IonicContact OE2-CZ 3.54Å; E828-R899 IonicContact OE2-NH1 3.21Å; E828-R899 IonicContact OE2-NH2 3.63Å; E828-R899 PolarHBondContact OE2-NH2 3.46Å |
| 829 | N | 62.7 | Low | 51.7 | Low | 92 Ų | 92 | 59.8 Ų | 59.8 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | -179.1 | -59.2 | -53.8 | 0 | 0 | 0 | 110.3 | D827 L831 I832 D833 | D827-N829 PolarHBondContact O-N 3.38Å; D827-N829 WeakPolarHBondContact OD1-CB 3.34Å; D827-N829 PolarHBondContact OD1-N 3Å; D827-N829 VanDerWaalsContact OD1-N 3.13Å; D827-N829 PolarHBondContact OD2-ND2 3.2Å; N829-L831 VanDerWaalsContact C-N 3.33Å; N829-L831 PolarHBondContact O-N 3.38Å; N829-I832 PolarHBondContact O-N 2.8Å; N829-I832 VanDerWaalsContact O-N 3.16Å; N829-D833 WeakPolarHBondContact O-CB 3.42Å; N829-D833 VanDerWaalsContact O-CG 3.27Å; N829-D833 PolarHBondContact O-N 2.68Å |
| 830 | Y | 57.7 | Low | 51.9 | Low | 71 Ų | 71 | 59 Ų | 59 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 173 | -177 | -85 | 0 | 0 | 0 | 112.3 | Q826 D827 S834 L876 | Q826-Y830 HydrophobicContact CB-CD1 4.03Å; Q826-Y830 HydrophobicContact CB-CG 4.34Å; Q826-Y830 HydrophobicContact CG-CD1 3.71Å; Q826-Y830 HydrophobicContact CG-CE1 3.9Å; Q826-Y830 HydrophobicContact CG-CG 4.07Å; Q826-Y830 VanDerWaalsContact NE2-CZ 3.32Å; Q826-Y830 PolarHBondContact NE2-OH 2.77Å; D827-Y830 PolarHBondContact O-N 3.1Å; D827-Y830 PolarHBondContact OD1-N 2.9Å; Y830-S834 VanDerWaalsContact O-CB 3.24Å; Y830-S834 WeakPolarHBondContact O-CB 3.27Å; Y830-S834 PolarHBondContact O-N 3.26Å; Y830-S834 PolarHBondContact O-OG 3.25Å; Y830-L876 HydrophobicContact CE1-CD2 4.29Å |
| 831 | L | 56.3 | Low | 52.2 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 173.2 | -99.4 | 164.4 | 0 | 0 | 0 | 111.8 | D827 E828 N829 S834 M835 F848 L876 M882 F884 I897 | D827-L831 PolarHBondContact O-N 3.34Å; E828-L831 WeakPolarHBondContact O-CB 3.47Å; E828-L831 PolarHBondContact O-N 2.84Å; N829-L831 VanDerWaalsContact C-N 3.33Å; N829-L831 PolarHBondContact O-N 3.38Å; L831-S834 WeakPolarHBondContact CA-OG 3.22Å; L831-S834 PolarHBondContact O-OG 3.27Å; L831-S834 VanDerWaalsContact O-OG 3.08Å; L831-M835 HydrophobicContact CB-CE 4.05Å; L831-M835 HydrophobicContact CD2-CE 3.23Å; L831-M835 HydrophobicContact CG-CE 4.18Å; L831-M835 WeakPolarHBondContact O-CB 3.39Å; L831-M835 VanDerWaalsContact O-CG 3.27Å; L831-M835 WeakPolarHBondContact O-CG 3.4Å; L831-M835 PolarHBondContact O-N 2.54Å; L831-M835 VanDerWaalsContact O-N 3.13Å; L831-F848 HydrophobicContact CD1-CE1 4.44Å; L831-F848 HydrophobicContact CD1-CZ 4.23Å; L831-L876 HydrophobicContact CD2-CD2 4.32Å; L831-M882 HydrophobicContact CB-CE 4.49Å; L831-M882 HydrophobicContact CD1-CE 3.22Å; L831-M882 HydrophobicContact CD1-CG 4.08Å; L831-M882 HydrophobicContact CD1-SD 3.36Å; L831-M882 WeakPolarHBondContact CD1-SD 3.16Å; L831-M882 HydrophobicContact CD2-CE 4.33Å; L831-M882 HydrophobicContact CD2-SD 3.66Å; L831-M882 HydrophobicContact CG-CE 3.41Å; L831-M882 VanDerWaalsContact CG-CE 3.41Å; L831-M882 HydrophobicContact CG-SD 3.42Å; L831-M882 WeakPolarHBondContact CG-SD 3.3Å; L831-F884 HydrophobicContact CD2-CE1 4.22Å; L831-F884 HydrophobicContact CD2-CZ 3.73Å; L831-I897 HydrophobicContact CD1-CD1 3.44Å; L831-I897 VanDerWaalsContact CD1-CD1 3.44Å; L831-I897 HydrophobicContact CD1-CG1 3.73Å |
| 832 | I | 59.9 | Low | 52.5 | Low | 48 Ų | 48 | 64.2 Ų | 64.2 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 179.6 | -68 | 163.1 | 0 | 0 | 0 | 110.4 | E828 N829 M835 A836 V846 F848 | E828-I832 WeakPolarHBondContact O-CD1 3.47Å; E828-I832 WeakPolarHBondContact O-CG1 3.47Å; E828-I832 PolarHBondContact O-N 3.27Å; N829-I832 PolarHBondContact O-N 2.8Å; N829-I832 VanDerWaalsContact O-N 3.16Å; I832-M835 PolarHBondContact O-N 2.72Å; I832-A836 PolarHBondContact O-N 3.27Å; I832-V846 HydrophobicContact CG1-CB 4.41Å; I832-F848 HydrophobicContact CD1-CE2 4.32Å; I832-F848 HydrophobicContact CG1-CE2 4.49Å |
| 833 | D | 58.9 | Low | 52.6 | Low | 70 Ų | 70 | 65.8 Ų | 65.8 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.9 | -40.2 | -179 | -72.3 | -20.8 | 0 | 0 | 0 | 111.7 | N829 M835 A836 | N829-D833 WeakPolarHBondContact O-CB 3.42Å; N829-D833 VanDerWaalsContact O-CG 3.27Å; N829-D833 PolarHBondContact O-N 2.68Å; D833-M835 PolarHBondContact O-N 2.95Å; D833-A836 PolarHBondContact O-N 2.85Å |
| 834 | S | 54.6 | Low | 52.5 | Low | 48 Ų | 48 | 69.1 Ų | 69.1 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.2 | -21.3 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | Y830 L831 | Y830-S834 VanDerWaalsContact O-CB 3.24Å; Y830-S834 WeakPolarHBondContact O-CB 3.27Å; Y830-S834 PolarHBondContact O-N 3.26Å; Y830-S834 PolarHBondContact O-OG 3.25Å; L831-S834 WeakPolarHBondContact CA-OG 3.22Å; L831-S834 PolarHBondContact O-OG 3.27Å; L831-S834 VanDerWaalsContact O-OG 3.08Å |
| 835 | M | 50.5 | Low | 52.7 | Low | 24 Ų | 24 | 73.2 Ų | 73.2 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -93.3 | -17.6 | 173.1 | -71.6 | -173.6 | -131.2 | 0 | 0 | 114.1 | L831 I832 D833 D837 L863 L866 | L831-M835 HydrophobicContact CB-CE 4.05Å; L831-M835 HydrophobicContact CD2-CE 3.23Å; L831-M835 HydrophobicContact CG-CE 4.18Å; L831-M835 WeakPolarHBondContact O-CB 3.39Å; L831-M835 VanDerWaalsContact O-CG 3.27Å; L831-M835 WeakPolarHBondContact O-CG 3.4Å; L831-M835 PolarHBondContact O-N 2.54Å; L831-M835 VanDerWaalsContact O-N 3.13Å; I832-M835 PolarHBondContact O-N 2.72Å; D833-M835 PolarHBondContact O-N 2.95Å; M835-D837 PolarHBondContact O-N 3.48Å; M835-L863 HydrophobicContact CE-CD1 4.31Å; M835-L863 HydrophobicContact CE-CD2 3.36Å; M835-L863 HydrophobicContact CE-CG 4.01Å; M835-L863 HydrophobicContact SD-CD2 3.31Å; M835-L863 WeakPolarHBondContact SD-CD2 3.46Å; M835-L863 HydrophobicContact SD-CG 3.79Å; M835-L866 HydrophobicContact SD-CD1 4.43Å |
| 836 | A | 55.2 | Low | 53.1 | Low | 32 Ų | 32 | 74.3 Ų | 74.3 | 26% | 0.264 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -68 | 96.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | I832 D833 | I832-A836 PolarHBondContact O-N 3.27Å; D833-A836 PolarHBondContact O-N 2.85Å |
| 837 | D | 46.5 | Very low | 53.5 | Low | 119 Ų | 119 | 81.2 Ų | 81.2 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | trans | -47.8 | 145.3 | 170.7 | -89 | -26.5 | 0 | 0 | 0 | 109.9 | M835 S839 G840 | M835-D837 PolarHBondContact O-N 3.48Å; D837-S839 PolarHBondContact O-N 3.39Å; D837-G840 PolarHBondContact O-N 3.49Å | ||
| 838 | N | 51.1 | Low | 54.2 | Low | 183 Ų | 183 | 81 Ų | 81 | 98% | 0.979 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -2 | 175.8 | -81 | -18.3 | 0 | 0 | 0 | 115.5 | G840 | N838-G840 PolarHBondContact O-N 2.88Š|
| 839 | S | 48.6 | Very low | 54.4 | Low | 92 Ų | 92 | 84.6 Ų | 84.6 | 64% | 0.643 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -3.9 | 171.7 | 70.7 | 0 | 0 | 0 | 0 | 114.7 | D837 N841 | D837-S839 PolarHBondContact O-N 3.39Å; S839-N841 PolarHBondContact O-N 3.31Å |
| 840 | G | 49.6 | Very low | 54.8 | Low | 70 Ų | 70 | 81.2 Ų | 81.2 | 72% | 0.722 | 45% | 0.452 | S | S | * | . | trans | 67.6 | 2.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D837 N838 R842 | D837-G840 PolarHBondContact O-N 3.49Å; N838-G840 PolarHBondContact O-N 2.88Å; G840-R842 PolarHBondContact O-N 3.01Å | ||
| 841 | N | 48.1 | Very low | 55.2 | Low | 128 Ų | 128 | 78.7 Ų | 78.7 | 68% | 0.684 | 44% | 0.444 | S | S | * | . | trans | -85.7 | 85.9 | 172.7 | -128.4 | 2.9 | 0 | 0 | 0 | 106.7 | S839 M843 | S839-N841 PolarHBondContact O-N 3.31Å; N841-M843 PolarHBondContact O-N 3.23Å | ||
| 842 | R | 44.1 | Very low | 55.5 | Low | 187 Ų | 187 | 80.9 Ų | 80.9 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | trans | -48.3 | 106.6 | 167 | -80.6 | -175.7 | 173.7 | 179.5 | -1.5 | 106.4 | G840 A844 | G840-R842 PolarHBondContact O-N 3.01Å; R842-A844 PolarHBondContact O-N 3.34Å | ||
| 843 | M | 45.5 | Very low | 55.4 | Low | 109 Ų | 109 | 80.7 Ų | 80.7 | 54% | 0.537 | 45% | 0.452 | S | S | . | . | trans | -52.5 | 106.8 | -178.6 | -90.3 | 171.3 | 58.2 | 0 | 0 | 107.2 | N841 T845 D864 | N841-M843 PolarHBondContact O-N 3.23Å; M843-T845 PolarHBondContact O-N 2.97Å; M843-T845 VanDerWaalsContact O-N 3.11Å; M843-D864 WeakPolarHBondContact CE-O 3.36Å | ||
| 844 | A | 44.7 | Very low | 55.4 | Low | 86 Ų | 86 | 82.2 Ų | 82.2 | 71% | 0.711 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 121.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | R842 | R842-A844 PolarHBondContact O-N 3.34Š|
| 845 | T | 52.2 | Low | 55.5 | Low | 119 Ų | 119 | 84.3 Ų | 84.3 | 73% | 0.73 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | 39.7 | 160.8 | 73.5 | 0 | 0 | 0 | 0 | 120 | M843 K847 | M843-T845 PolarHBondContact O-N 2.97Å; M843-T845 VanDerWaalsContact O-N 3.11Å; T845-K847 PolarHBondContact O-N 3.2Å |
| 846 | V | 57.7 | Low | 55.8 | Low | 41 Ų | 41 | 86.7 Ų | 86.7 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | trans | -67.9 | 104.4 | 155.8 | -175.1 | 0 | 0 | 0 | 0 | 108 | I832 F848 S861 | I832-V846 HydrophobicContact CG1-CB 4.41Å; V846-F848 HydrophobicContact CG1-CD2 4.33Å; V846-F848 HydrophobicContact CG1-CE2 3.72Å; V846-F848 HydrophobicContact CG1-CZ 4.08Å; V846-S861 WeakPolarHBondContact CG1-OG 3.47Å | ||
| 847 | K | 62 | Low | 56.2 | Low | 150 Ų | 150 | 86.3 Ų | 86.3 | 65% | 0.652 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 129.3 | 173.7 | -80 | -163.1 | 172 | -155.4 | 0 | 109.6 | T845 S861 D1037 | T845-K847 PolarHBondContact O-N 3.2Å; K847-S861 PolarHBondContact O-OG 2.98Å; K847-D1037 IonicContact NZ-OD1 3.97Å |
| 848 | F | 70.3 | Confident | 57 | Low | 19 Ų | 19 | 80.9 Ų | 80.9 | 8% | 0.083 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 135.3 | 173 | -71.2 | -93.1 | 0 | 0 | 0 | 110.3 | E828 L831 I832 V846 Y850 A859 I897 | E828-F848 HydrophobicContact CB-CD2 3.94Å; E828-F848 HydrophobicContact CB-CE2 3.58Å; E828-F848 HydrophobicContact CB-CZ 4Å; E828-F848 HydrophobicContact CG-CD1 4.04Å; E828-F848 HydrophobicContact CG-CD2 3.57Å; E828-F848 HydrophobicContact CG-CE1 4.07Å; E828-F848 HydrophobicContact CG-CE2 3.6Å; E828-F848 HydrophobicContact CG-CG 3.8Å; E828-F848 HydrophobicContact CG-CZ 3.85Å; L831-F848 HydrophobicContact CD1-CE1 4.44Å; L831-F848 HydrophobicContact CD1-CZ 4.23Å; I832-F848 HydrophobicContact CD1-CE2 4.32Å; I832-F848 HydrophobicContact CG1-CE2 4.49Å; V846-F848 HydrophobicContact CG1-CD2 4.33Å; V846-F848 HydrophobicContact CG1-CE2 3.72Å; V846-F848 HydrophobicContact CG1-CZ 4.08Å; F848-Y850 HydrophobicContact CB-CD2 4.3Å; F848-Y850 HydrophobicContact CB-CE2 3.61Å; F848-Y850 WeakPolarHBondContact O-CD2 3.07Å; F848-A859 HydrophobicContact CB-CB 4.39Å; F848-A859 HydrophobicContact CD1-CB 4.11Å; F848-I897 HydrophobicContact CD1-CD1 4.21Å; F848-I897 HydrophobicContact CE1-CD1 3.61Å; F848-I897 HydrophobicContact CE1-CG1 4.4Å; F848-I897 HydrophobicContact CZ-CD1 4.12Å |
| 849 | L | 65.5 | Low | 57.8 | Low | 87 Ų | 87 | 72.2 Ų | 72.2 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.6 | 167.9 | 177.7 | 69.4 | 0 | 0 | 0 | 108.8 | V851 A859 V860 V1033 | L849-V851 HydrophobicContact CD2-CG2 4.3Å; L849-V851 HydrophobicContact CG-CG2 4.16Å; L849-A859 CarbonylContact O-C 3.4Å; L849-A859 WeakPolarHBondContact O-CA 3.12Å; L849-V860 PolarHBondContact N-O 2.92Å; L849-V860 PolarHBondContact O-N 3.32Å; L849-V1033 HydrophobicContact CD1-CG1 3.83Å |
| 850 | Y | 72.4 | Confident | 58.5 | Low | 22 Ų | 22 | 68.8 Ų | 68.8 | 9% | 0.086 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.9 | -178.7 | -64.3 | -96.4 | 0 | 0 | 0 | 111 | E828 F848 I857 L858 A859 L1034 F1041 L1045 | E828-Y850 WeakPolarHBondContact CG-OH 3.39Å; E828-Y850 WeakPolarHBondContact OE1-CE1 3.48Å; E828-Y850 VanDerWaalsContact OE1-CZ 3.25Å; E828-Y850 PolarHBondContact OE1-OH 3.43Å; F848-Y850 HydrophobicContact CB-CD2 4.3Å; F848-Y850 HydrophobicContact CB-CE2 3.61Å; F848-Y850 WeakPolarHBondContact O-CD2 3.07Å; Y850-I857 HydrophobicContact CD1-CG2 4.06Å; Y850-L858 CarbonylContact C-O 3.52Å; Y850-L858 WeakPolarHBondContact CA-O 3.22Å; Y850-A859 HydrophobicContact CD1-CB 3.68Å; Y850-A859 HydrophobicContact CE1-CB 3.55Å; Y850-A859 HydrophobicContact CG-CB 4.43Å; Y850-L1034 PolarHBondContact O-N 3.47Å; Y850-F1041 HydrophobicContact CD1-CE1 4.09Å; Y850-F1041 AromaticContact CD1-CZ 3.79Å; Y850-F1041 HydrophobicContact CD1-CZ 3.79Å; Y850-F1041 AromaticContact CD2-CE1 3.72Å; Y850-F1041 HydrophobicContact CD2-CE1 3.72Å; Y850-F1041 AromaticContact CD2-CZ 3.9Å; Y850-F1041 HydrophobicContact CD2-CZ 3.9Å; Y850-F1041 HydrophobicContact CE1-CE1 4.16Å; Y850-F1041 HydrophobicContact CE1-CZ 4.27Å; Y850-F1041 AromaticContact CE2-CE1 3.79Å; Y850-F1041 HydrophobicContact CE2-CE1 3.79Å; Y850-F1041 HydrophobicContact CE2-CZ 4.36Å; Y850-F1041 AromaticContact CG-CE1 3.87Å; Y850-F1041 HydrophobicContact CG-CE1 3.87Å; Y850-F1041 AromaticContact CG-CZ 3.58Å; Y850-F1041 HydrophobicContact CG-CZ 3.58Å; Y850-L1045 HydrophobicContact CD1-CD2 4.4Å; Y850-L1045 HydrophobicContact CE1-CD2 3.56Å |
| 851 | V | 64.8 | Low | 59.1 | Low | 18 Ų | 18 | 65.8 Ų | 65.8 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.5 | -178.9 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | L849 L858 F1031 V1033 | L849-V851 HydrophobicContact CD2-CG2 4.3Å; L849-V851 HydrophobicContact CG-CG2 4.16Å; V851-L858 HydrophobicContact CB-CB 4.39Å; V851-L858 PolarHBondContact N-O 2.9Å; V851-L858 PolarHBondContact O-N 3.4Å; V851-F1031 HydrophobicContact CG1-CB 4.11Å; V851-F1031 HydrophobicContact CG1-CD1 3.77Å; V851-F1031 HydrophobicContact CG1-CG 4.41Å; V851-V1033 HydrophobicContact CG2-CG2 4.5Å |
| 852 | L | 62.7 | Low | 59.6 | Low | 47 Ų | 47 | 62.7 Ų | 62.7 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.6 | 170.1 | -177.9 | 69.8 | 0 | 0 | 0 | 109.2 | F856 I857 Q1032 L1034 | L852-F856 WeakPolarHBondContact CA-O 3.45Å; L852-I857 HydrophobicContact CD1-CG1 3.93Å; L852-Q1032 HydrophobicContact CB-CB 4.34Å; L852-Q1032 PolarHBondContact N-O 2.79Å; L852-Q1032 PolarHBondContact O-N 2.84Å; L852-L1034 HydrophobicContact CB-CD1 4.22Å; L852-L1034 HydrophobicContact CB-CD2 4Å; L852-L1034 HydrophobicContact CB-CG 4.08Å; L852-L1034 HydrophobicContact CD2-CD2 4.5Å |
| 853 | Y | 57.8 | Low | 60.1 | Low | 43 Ų | 43 | 54.4 Ų | 54.4 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 112 | 172.8 | 176.2 | -106 | 0 | 0 | 0 | 109.2 | S855 F856 V1021 P1029 F1031 | Y853-S855 PolarHBondContact O-N 2.86Å; Y853-F856 HydrophobicContact CD1-CD2 4.44Å; Y853-F856 PolarHBondContact N-O 3.01Å; Y853-F856 WeakPolarHBondContact O-CB 3.47Å; Y853-F856 WeakPolarHBondContact O-CD2 3.33Å; Y853-F856 PolarHBondContact O-N 3.21Å; Y853-V1021 HydrophobicContact CD1-CG1 3.44Å; Y853-V1021 VanDerWaalsContact CD1-CG1 3.44Å; Y853-V1021 HydrophobicContact CD2-CG1 4.27Å; Y853-V1021 HydrophobicContact CE1-CB 4.5Å; Y853-V1021 HydrophobicContact CE1-CG1 3.36Å; Y853-V1021 HydrophobicContact CE2-CG1 4.23Å; Y853-V1021 HydrophobicContact CG-CG1 3.9Å; Y853-V1021 PolarHBondContact OH-O 3.34Å; Y853-V1021 VanDerWaalsContact OH-O 3.05Å; Y853-P1029 HydrophobicContact CD2-CB 4.43Å; Y853-P1029 HydrophobicContact CE2-CB 3.63Å; Y853-F1031 AromaticContact CD2-CD1 3.68Å; Y853-F1031 HydrophobicContact CD2-CD1 3.68Å; Y853-F1031 HydrophobicContact CD2-CD2 4.45Å; Y853-F1031 AromaticContact CD2-CE1 3.33Å; Y853-F1031 HydrophobicContact CD2-CE1 3.33Å; Y853-F1031 HydrophobicContact CD2-CE2 4.18Å; Y853-F1031 HydrophobicContact CD2-CG 4.23Å; Y853-F1031 AromaticContact CD2-CZ 3.61Å; Y853-F1031 HydrophobicContact CD2-CZ 3.61Å; Y853-F1031 HydrophobicContact CE2-CE1 4.07Å; Y853-F1031 HydrophobicContact CE2-CE2 4.27Å; Y853-F1031 AromaticContact CE2-CZ 3.86Å; Y853-F1031 HydrophobicContact CE2-CZ 3.86Å; Y853-F1031 HydrophobicContact CG-CD1 4.15Å; Y853-F1031 AromaticContact CG-CE1 3.71Å; Y853-F1031 HydrophobicContact CG-CE1 3.71Å; Y853-F1031 HydrophobicContact CG-CZ 4.3Å |
| 854 | N | 59.6 | Low | 60.3 | Low | 103 Ų | 103 | 54.1 Ų | 54.1 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | -98.4 | -171.9 | -64.4 | -32.7 | 0 | 0 | 0 | 112.5 | ||
| 855 | S | 57.4 | Low | 60.5 | Low | 91 Ų | 91 | 52.7 Ų | 52.7 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 12.9 | -179.9 | -48.5 | 0 | 0 | 0 | 0 | 113.3 | Y853 | Y853-S855 PolarHBondContact O-N 2.86Š|
| 856 | F | 56.9 | Low | 60.1 | Low | 74 Ų | 74 | 49.8 Ų | 49.8 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136 | -176.3 | -59.4 | -89.1 | 0 | 0 | 0 | 110.3 | L852 Y853 I898 S900 | L852-F856 WeakPolarHBondContact CA-O 3.45Å; Y853-F856 HydrophobicContact CD1-CD2 4.44Å; Y853-F856 PolarHBondContact N-O 3.01Å; Y853-F856 WeakPolarHBondContact O-CB 3.47Å; Y853-F856 WeakPolarHBondContact O-CD2 3.33Å; Y853-F856 PolarHBondContact O-N 3.21Å; F856-I898 HydrophobicContact CD1-CG2 4.19Å; F856-S900 VanDerWaalsContact CE1-OG 3.27Å; F856-S900 WeakPolarHBondContact CE1-OG 3.28Å |
| 857 | I | 62.2 | Low | 59.2 | Low | 24 Ų | 24 | 55.8 Ų | 55.8 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.1 | 168.2 | -60.4 | 173.7 | 0 | 0 | 0 | 107.4 | Y850 L852 R899 L1034 L1048 | Y850-I857 HydrophobicContact CD1-CG2 4.06Å; L852-I857 HydrophobicContact CD1-CG1 3.93Å; I857-R899 HydrophobicContact CB-CB 4.12Å; I857-R899 PolarHBondContact N-O 3.43Å; I857-R899 WeakPolarHBondContact O-CB 3.2Å; I857-R899 PolarHBondContact O-N 3.13Å; I857-L1034 HydrophobicContact CD1-CD1 4.23Å; I857-L1034 HydrophobicContact CG1-CD1 4.19Å; I857-L1034 HydrophobicContact CG2-CD1 4.03Å; I857-L1048 HydrophobicContact CD1-CD2 3.56Å |
| 858 | L | 64.8 | Low | 58.3 | Low | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.3 | 179.1 | -60.9 | 164.5 | 0 | 0 | 0 | 107.9 | Y850 V851 L896 I898 L1016 | Y850-L858 CarbonylContact C-O 3.52Å; Y850-L858 WeakPolarHBondContact CA-O 3.22Å; V851-L858 HydrophobicContact CB-CB 4.39Å; V851-L858 PolarHBondContact N-O 2.9Å; V851-L858 PolarHBondContact O-N 3.4Å; L858-L896 HydrophobicContact CB-CD1 3.96Å; L858-L896 HydrophobicContact CD2-CD1 3.93Å; L858-L896 HydrophobicContact CD2-CD2 4.48Å; L858-I898 HydrophobicContact CD2-CB 4.28Å; L858-I898 HydrophobicContact CD2-CD1 4.14Å; L858-I898 HydrophobicContact CD2-CG1 3.81Å; L858-I898 HydrophobicContact CD2-CG2 3.94Å; L858-L1016 HydrophobicContact CD1-CD1 4.44Å; L858-L1016 HydrophobicContact CD1-CD2 3.7Å; L858-L1016 HydrophobicContact CD2-CD2 4.3Å |
| 859 | A | 67.2 | Low | 56.7 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | F848 L849 Y850 L896 I897 | F848-A859 HydrophobicContact CB-CB 4.39Å; F848-A859 HydrophobicContact CD1-CB 4.11Å; L849-A859 CarbonylContact O-C 3.4Å; L849-A859 WeakPolarHBondContact O-CA 3.12Å; Y850-A859 HydrophobicContact CD1-CB 3.68Å; Y850-A859 HydrophobicContact CE1-CB 3.55Å; Y850-A859 HydrophobicContact CG-CB 4.43Å; A859-L896 CarbonylContact O-C 3.56Å; A859-L896 WeakPolarHBondContact O-CA 3.41Å; A859-I897 HydrophobicContact CB-CB 4.11Å; A859-I897 PolarHBondContact N-O 3.48Å; A859-I897 PolarHBondContact O-N 3.3Å |
| 860 | V | 62.7 | Low | 55.5 | Low | 21 Ų | 21 | 52.8 Ų | 52.8 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.5 | -172.5 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | L849 T894 L896 A1012 | L849-V860 PolarHBondContact N-O 2.92Å; L849-V860 PolarHBondContact O-N 3.32Å; V860-T894 HydrophobicContact CG1-CG2 4.14Å; V860-L896 HydrophobicContact CG2-CD1 3.61Å; V860-A1012 HydrophobicContact CG1-CB 3.54Å; V860-A1012 HydrophobicContact CG2-CB 4.48Å |
| 861 | S | 63.7 | Low | 53.8 | Low | 7 Ų | 7 | 60.3 Ų | 60.3 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.2 | 171.2 | -158.8 | 0 | 0 | 0 | 0 | 111.5 | V846 K847 A895 | V846-S861 WeakPolarHBondContact CG1-OG 3.47Å; K847-S861 PolarHBondContact O-OG 2.98Å; S861-A895 PolarHBondContact N-O 3.04Å; S861-A895 PolarHBondContact O-N 3.05Å |
| 862 | E | 57 | Low | 52.5 | Low | 63 Ų | 63 | 62.6 Ų | 62.6 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.2 | 169.4 | -75.2 | -169.6 | 153.9 | 0 | 0 | 108.9 | T894 G1008 H1011 | E862-T894 HydrophobicContact CG-CG2 4.32Å; E862-G1008 WeakPolarHBondContact OE1-CA 3.34Å; E862-G1008 WeakPolarHBondContact OE2-CA 3.45Å; E862-H1011 IonicContact OE1-ND1 3.31Å; E862-H1011 PolarHBondContact OE1-ND1 3.03Å |
| 863 | L | 55.5 | Low | 51.2 | Low | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.7 | 178.5 | -78.8 | 55.8 | 0 | 0 | 0 | 109.1 | M835 L866 F884 E893 A895 | M835-L863 HydrophobicContact CE-CD1 4.31Å; M835-L863 HydrophobicContact CE-CD2 3.36Å; M835-L863 HydrophobicContact CE-CG 4.01Å; M835-L863 HydrophobicContact SD-CD2 3.31Å; M835-L863 WeakPolarHBondContact SD-CD2 3.46Å; M835-L863 HydrophobicContact SD-CG 3.79Å; L863-L866 HydrophobicContact CB-CD1 4.4Å; L863-L866 HydrophobicContact CD2-CD1 3.76Å; L863-F884 HydrophobicContact CD2-CE1 4.34Å; L863-E893 HydrophobicContact CB-CB 4.39Å; L863-E893 PolarHBondContact N-O 2.77Å; L863-A895 HydrophobicContact CD1-CB 3.74Å |
| 864 | D | 49.3 | Very low | 50.1 | Low | 104 Ų | 104 | 70.7 Ų | 70.7 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.3 | 170.6 | -76.7 | -36.5 | 0 | 0 | 0 | 109.5 | M843 | M843-D864 WeakPolarHBondContact CE-O 3.36Å |
| 865 | G | 48.3 | Very low | 48.8 | Very low | 55 Ų | 55 | 72.6 Ų | 72.6 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | trans | 108.6 | 17.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 120 | N867 | G865-N867 PolarHBondContact O-N 3.33Š| ||
| 866 | L | 43.4 | Very low | 47.7 | Very low | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | trans | -74.3 | 70.9 | 173.6 | -78.4 | 142.2 | 0 | 0 | 0 | 112.3 | M835 L863 G868 I872 E893 | M835-L866 HydrophobicContact SD-CD1 4.43Å; L863-L866 HydrophobicContact CB-CD1 4.4Å; L863-L866 HydrophobicContact CD2-CD1 3.76Å; L866-G868 PolarHBondContact O-N 3.01Å; L866-I872 HydrophobicContact CD2-CD1 3.67Å; L866-E893 WeakPolarHBondContact CD1-OE2 3.48Å | ||
| 867 | N | 40 | Very low | 46.5 | Very low | 168 Ų | 168 | 73.1 Ų | 73.1 | 90% | 0.898 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 64.4 | 169.3 | -78.5 | -20.2 | 0 | 0 | 0 | 110.8 | G865 | G865-N867 PolarHBondContact O-N 3.33Š|
| 868 | G | 42 | Very low | 45.2 | Very low | 57 Ų | 57 | 72.8 Ų | 72.8 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171.3 | 17.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L866 A870 | L866-G868 PolarHBondContact O-N 3.01Å; G868-A870 PolarHBondContact O-N 3.39Å; G868-A870 VanDerWaalsContact O-N 3.12Å |
| 869 | G | 36.9 | Very low | 44 | Very low | 64 Ų | 64 | 73.7 Ų | 73.7 | 66% | 0.66 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 109.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 870 | A | 41.1 | Very low | 42.7 | Very low | 71 Ų | 71 | 74.3 Ų | 74.3 | 59% | 0.587 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 157.8 | -25.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G868 Y874 | G868-A870 PolarHBondContact O-N 3.39Å; G868-A870 VanDerWaalsContact O-N 3.12Å; A870-Y874 WeakPolarHBondContact O-CD2 3.48Å; A870-Y874 WeakPolarHBondContact O-CE2 3.31Å |
| 871 | K | 35.5 | Very low | 41.7 | Very low | 180 Ų | 180 | 75 Ų | 75 | 78% | 0.783 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -87.5 | -32.2 | -171 | -120.2 | 179.9 | -179.1 | -178.2 | 0 | 114.8 | ||
| 872 | I | 38 | Very low | 40.8 | Very low | 67 Ų | 67 | 76.2 Ų | 76.2 | 34% | 0.344 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -79.5 | -31.1 | -172.7 | -61.5 | 170.7 | 0 | 0 | 0 | 111.7 | L866 Y874 Q875 L876 | L866-I872 HydrophobicContact CD2-CD1 3.67Å; I872-Y874 PolarHBondContact O-N 2.84Å; I872-Y874 VanDerWaalsContact O-N 3.07Å; I872-Q875 PolarHBondContact O-N 2.83Å; I872-L876 WeakPolarHBondContact O-CD1 3.36Å |
| 873 | A | 36.8 | Very low | 40.4 | Very low | 75 Ų | 75 | 74.9 Ų | 74.9 | 62% | 0.62 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -62.3 | -18.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q875 | A873-Q875 PolarHBondContact O-N 3.46Š|
| 874 | Y | 33.7 | Very low | 39.9 | Very low | 185 Ų | 185 | 78.1 Ų | 78.1 | 73% | 0.725 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -82.8 | -4 | -174.6 | -84.2 | -73.8 | 0 | 0 | 0 | 115.6 | A870 I872 | A870-Y874 WeakPolarHBondContact O-CD2 3.48Å; A870-Y874 WeakPolarHBondContact O-CE2 3.31Å; I872-Y874 PolarHBondContact O-N 2.84Å; I872-Y874 VanDerWaalsContact O-N 3.07Å |
| 875 | Q | 32 | Very low | 39.4 | Very low | 142 Ų | 142 | 76.5 Ų | 76.5 | 66% | 0.664 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -124.6 | 15.3 | -168.7 | -79.1 | -170.4 | -61.5 | 0 | 0 | 116.7 | I872 A873 | I872-Q875 PolarHBondContact O-N 2.83Å; A873-Q875 PolarHBondContact O-N 3.46Å |
| 876 | L | 33.7 | Very low | 39 | Very low | 33 Ų | 33 | 79 Ų | 79 | 17% | 0.173 | 43% | 0.425 | C | S | . | . | trans | -95.3 | 120.9 | -177 | -70.7 | 107.5 | 0 | 0 | 0 | 113.4 | Y830 L831 I872 M882 F884 | Y830-L876 HydrophobicContact CE1-CD2 4.29Å; L831-L876 HydrophobicContact CD2-CD2 4.32Å; I872-L876 WeakPolarHBondContact O-CD1 3.36Å; L876-M882 HydrophobicContact CD2-SD 3.78Å; L876-F884 HydrophobicContact CD1-CE2 4.48Å; L876-F884 HydrophobicContact CD2-CZ 4.46Å | ||
| 877 | Y | 32.9 | Very low | 38.8 | Very low | 144 Ų | 144 | 76.6 Ų | 76.6 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | trans | -123.4 | 109 | 179.8 | -68.8 | -83.2 | 0 | 0 | 0 | 112.9 | I822 S824 Q826 | I822-Y877 HydrophobicContact CG2-CD1 4.16Å; S824-Y877 PolarHBondContact OG-O 3.01Å; Q826-Y877 WeakPolarHBondContact CG-O 3.3Å; Q826-Y877 PolarHBondContact NE2-O 3.31Å; Q826-Y877 VanDerWaalsContact OE1-C 3.31Å; Q826-Y877 PolarHBondContact OE1-O 3.34Å | ||
| 878 | C | 34.9 | Very low | 39.1 | Very low | 17 Ų | 17 | 74.1 Ų | 74.1 | 12% | 0.115 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 48.7 | 106.1 | 143.5 | -72.6 | 0 | 0 | 0 | 0 | 125.5 | I822 S824 C907 | I822-C878 HydrophobicContact CB-CB 4.17Å; I822-C878 HydrophobicContact CG2-CB 3.49Å; I822-C878 VanDerWaalsContact CG2-CB 3.49Å; I822-C878 VanDerWaalsContact CG2-SG 3.6Å; S824-C878 CarbonylContact C-O 3.49Å; S824-C878 CarbonylContact O-C 3.6Å; S824-C878 VanDerWaalsContact O-C 3.3Å; C878-C907 WeakPolarHBondContact CA-SG 3.35Å; C878-C907 HydrophobicContact CB-CB 4.21Å; C878-C907 WeakPolarHBondContact CB-SG 3.35Å; C878-C907 WeakPolarHBondContact SG-CB 3.41Å; C878-C907 CovalentContact SG-SG 2.01Å; C878-C907 PolarHBondContact SG-SG 2.97Å |
| 879 | T | 38.4 | Very low | 39.2 | Very low | 25 Ų | 25 | 75.7 Ų | 75.7 | 15% | 0.153 | 41% | 0.411 | C | S | . | . | S | Bend | -162.6 | -19.3 | 116.5 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | L825 Q826 | L825-T879 WeakPolarHBondContact CA-OG1 3.44Å; L825-T879 HydrophobicContact CB-CG2 4.34Å; L825-T879 HydrophobicContact CD1-CG2 4.11Å; L825-T879 WeakPolarHBondContact CD1-OG1 3.4Å; Q826-T879 PolarHBondContact N-OG1 2.93Å | |
| 880 | S | 40.4 | Very low | 39.7 | Very low | 12 Ų | 12 | 80 Ų | 80 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -98.4 | 134.6 | 165.6 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | Q826 M882 I897 | Q826-S880 VanDerWaalsContact O-CB 3.3Å; Q826-S880 WeakPolarHBondContact O-CB 3.36Å; Q826-S880 PolarHBondContact O-OG 2.89Å; S880-M882 PolarHBondContact O-N 3.28Å; S880-M882 VanDerWaalsContact O-N 3.13Å; S880-I897 WeakPolarHBondContact OG-CG2 3.23Å |
| 881 | L | 43.1 | Very low | 39.7 | Very low | 37 Ų | 37 | 81 Ų | 81 | 19% | 0.194 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 107.6 | 164.5 | -110.1 | 149.7 | 0 | 0 | 0 | 107 | F883 I898 I903 | L881-F883 HydrophobicContact CB-CE2 4.09Å; L881-F883 HydrophobicContact CD2-CD2 4.49Å; L881-F883 HydrophobicContact CD2-CE2 3.69Å; L881-F883 HydrophobicContact CD2-CZ 3.71Å; L881-F883 HydrophobicContact CG-CE2 4.4Å; L881-I898 HydrophobicContact CB-CB 4.24Å; L881-I898 PolarHBondContact N-O 3.42Å; L881-I898 PolarHBondContact O-N 3.28Å; L881-I903 HydrophobicContact CB-CD1 4.34Å; L881-I903 HydrophobicContact CB-CG2 3.85Å; L881-I903 HydrophobicContact CD1-CB 4.4Å; L881-I903 HydrophobicContact CD1-CD1 3.81Å; L881-I903 HydrophobicContact CD1-CG1 3.89Å; L881-I903 HydrophobicContact CD1-CG2 3.68Å; L881-I903 HydrophobicContact CG-CG2 3.97Å |
| 882 | M | 44.4 | Very low | 40 | Very low | 32 Ų | 32 | 78.2 Ų | 78.2 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.6 | 171.8 | -84.9 | 172.3 | -153.2 | 0 | 0 | 110.1 | Q826 L831 L876 S880 F884 L896 I897 | Q826-M882 HydrophobicContact CB-CE 3.89Å; Q826-M882 WeakPolarHBondContact O-CE 3.48Å; L831-M882 HydrophobicContact CB-CE 4.49Å; L831-M882 HydrophobicContact CD1-CE 3.22Å; L831-M882 HydrophobicContact CD1-CG 4.08Å; L831-M882 HydrophobicContact CD1-SD 3.36Å; L831-M882 WeakPolarHBondContact CD1-SD 3.16Å; L831-M882 HydrophobicContact CD2-CE 4.33Å; L831-M882 HydrophobicContact CD2-SD 3.66Å; L831-M882 HydrophobicContact CG-CE 3.41Å; L831-M882 VanDerWaalsContact CG-CE 3.41Å; L831-M882 HydrophobicContact CG-SD 3.42Å; L831-M882 WeakPolarHBondContact CG-SD 3.3Å; L876-M882 HydrophobicContact CD2-SD 3.78Å; S880-M882 PolarHBondContact O-N 3.28Å; S880-M882 VanDerWaalsContact O-N 3.13Å; M882-F884 HydrophobicContact CB-CE2 4.09Å; M882-L896 CarbonylContact C-O 3.55Å; M882-L896 VanDerWaalsContact CA-O 3.25Å; M882-L896 WeakPolarHBondContact CA-O 3.49Å; M882-I897 HydrophobicContact CE-CD1 4.24Å; M882-I897 HydrophobicContact CE-CG1 4.06Å; M882-I897 HydrophobicContact CG-CG1 3.83Å |
| 883 | F | 47.9 | Very low | 40.6 | Very low | 35 Ų | 35 | 77 Ų | 77 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.2 | 167.1 | -68.8 | -89.4 | 0 | 0 | 0 | 109 | L881 A895 L896 I898 L1015 L1019 | L881-F883 HydrophobicContact CB-CE2 4.09Å; L881-F883 HydrophobicContact CD2-CD2 4.49Å; L881-F883 HydrophobicContact CD2-CE2 3.69Å; L881-F883 HydrophobicContact CD2-CZ 3.71Å; L881-F883 HydrophobicContact CG-CE2 4.4Å; F883-A895 WeakPolarHBondContact O-CA 3.42Å; F883-L896 HydrophobicContact CB-CB 4.24Å; F883-L896 HydrophobicContact CD2-CD2 4.14Å; F883-L896 PolarHBondContact N-O 2.6Å; F883-L896 PolarHBondContact O-N 2.68Å; F883-I898 HydrophobicContact CD2-CD1 3.9Å; F883-I898 HydrophobicContact CD2-CG1 4.24Å; F883-I898 HydrophobicContact CE2-CD1 3.53Å; F883-I898 HydrophobicContact CE2-CG1 4.24Å; F883-L1015 HydrophobicContact CB-CD1 4.16Å; F883-L1015 HydrophobicContact CB-CD2 3.99Å; F883-L1019 HydrophobicContact CD2-CD1 4.35Å; F883-L1019 HydrophobicContact CE1-CD2 3.84Å; F883-L1019 HydrophobicContact CE2-CD1 4.24Å; F883-L1019 HydrophobicContact CE2-CD2 4.22Å; F883-L1019 HydrophobicContact CZ-CD1 4.47Å; F883-L1019 HydrophobicContact CZ-CD2 3.66Å |
| 884 | F | 45 | Very low | 41.1 | Very low | 80 Ų | 80 | 73.5 Ų | 73.5 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.1 | 167.6 | -67.7 | -89.6 | 0 | 0 | 0 | 108.4 | L831 L863 L876 M882 T894 A895 | L831-F884 HydrophobicContact CD2-CE1 4.22Å; L831-F884 HydrophobicContact CD2-CZ 3.73Å; L863-F884 HydrophobicContact CD2-CE1 4.34Å; L876-F884 HydrophobicContact CD1-CE2 4.48Å; L876-F884 HydrophobicContact CD2-CZ 4.46Å; M882-F884 HydrophobicContact CB-CE2 4.09Å; F884-T894 WeakPolarHBondContact CA-O 3.23Å; F884-A895 HydrophobicContact CD1-CB 4.25Å; F884-A895 HydrophobicContact CE1-CB 4.07Å |
| 885 | Y | 40.1 | Very low | 42.1 | Very low | 70 Ų | 70 | 64.7 Ų | 64.7 | 28% | 0.275 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 115.4 | 171.3 | -171.5 | -90.6 | 0 | 0 | 0 | 108.8 | E893 T894 H1011 L1015 | Y885-E893 WeakPolarHBondContact O-CA 3.26Å; Y885-T894 PolarHBondContact N-O 3.15Å; Y885-T894 PolarHBondContact O-N 2.9Å; Y885-H1011 HydrophobicContact CD1-CB 4.17Å; Y885-H1011 AromaticContact CE1-CD2 3.95Å; Y885-L1015 HydrophobicContact CD2-CD1 4.22Å |
| 886 | M | 38.8 | Very low | 43.1 | Very low | 108 Ų | 108 | 58 Ų | 58 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.1 | 172.1 | -65.8 | -161.9 | -63.1 | 0 | 0 | 109.8 | E893 | M886-E893 HydrophobicContact CG-CG 4.25Å |
| 887 | G | 39.6 | Very low | 44.2 | Very low | 6 Ų | 6 | 56.5 Ų | 56.5 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | trans | -62 | 157.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | D889 E890 R892 | G887-D889 PolarHBondContact O-N 2.92Å; G887-E890 PolarHBondContact O-N 3.26Å; G887-R892 PolarHBondContact N-O 2.95Å | ||
| 888 | A | 46.1 | Very low | 45 | Very low | 117 Ų | 117 | 50.4 Ų | 50.4 | 97% | 0.967 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 889 | D | 44 | Very low | 45.9 | Very low | 89 Ų | 89 | 50.5 Ų | 50.5 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.7 | 178.6 | 51.6 | -4.1 | 0 | 0 | 0 | 113.8 | G887 T891 | G887-D889 PolarHBondContact O-N 2.92Å; D889-T891 WeakPolarHBondContact O-CG2 3.48Å; D889-T891 PolarHBondContact O-N 2.96Å; D889-T891 PolarHBondContact O-OG1 3.42Å; D889-T891 PolarHBondContact OD2-OG1 3.48Å |
| 890 | E | 47.4 | Very low | 46.4 | Very low | 156 Ų | 156 | 49.7 Ų | 49.7 | 73% | 0.729 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 52 | 7 | -179.5 | -64.3 | -172.5 | 164.7 | 0 | 0 | 115.1 | G887 | G887-E890 PolarHBondContact O-N 3.26Š|
| 891 | T | 42.1 | Very low | 46.4 | Very low | 91 Ų | 91 | 53.3 Ų | 53.3 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -109 | -13.7 | -172 | 46.6 | 0 | 0 | 0 | 0 | 113.2 | D889 | D889-T891 WeakPolarHBondContact O-CG2 3.48Å; D889-T891 PolarHBondContact O-N 2.96Å; D889-T891 PolarHBondContact O-OG1 3.42Å; D889-T891 PolarHBondContact OD2-OG1 3.48Å |
| 892 | R | 41.1 | Very low | 46.3 | Very low | 122 Ų | 122 | 55.4 Ų | 55.4 | 46% | 0.46 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 118.4 | -179.5 | -71.5 | -176.4 | 169.4 | 167.5 | 1.9 | 110.8 | G887 | G887-R892 PolarHBondContact N-O 2.95Å |
| 893 | E | 50.6 | Low | 46 | Very low | 41 Ų | 41 | 54.9 Ų | 54.9 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.1 | 175.5 | -62.1 | -175 | 169.3 | 0 | 0 | 108.7 | L863 L866 Y885 M886 | L863-E893 HydrophobicContact CB-CB 4.39Å; L863-E893 PolarHBondContact N-O 2.77Å; L866-E893 WeakPolarHBondContact CD1-OE2 3.48Å; Y885-E893 WeakPolarHBondContact O-CA 3.26Å; M886-E893 HydrophobicContact CG-CG 4.25Å |
| 894 | T | 48.1 | Very low | 45.4 | Very low | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.4 | 171.4 | -47.9 | 0 | 0 | 0 | 0 | 108.5 | V860 E862 F884 Y885 H1011 | V860-T894 HydrophobicContact CG1-CG2 4.14Å; E862-T894 HydrophobicContact CG-CG2 4.32Å; F884-T894 WeakPolarHBondContact CA-O 3.23Å; Y885-T894 PolarHBondContact N-O 3.15Å; Y885-T894 PolarHBondContact O-N 2.9Å; T894-H1011 HydrophobicContact CG2-CB 4.4Å; T894-H1011 WeakPolarHBondContact OG1-CB 3.47Å |
| 895 | A | 53.9 | Low | 44.8 | Very low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S861 L863 F883 F884 | S861-A895 PolarHBondContact N-O 3.04Å; S861-A895 PolarHBondContact O-N 3.05Å; L863-A895 HydrophobicContact CD1-CB 3.74Å; F883-A895 WeakPolarHBondContact O-CA 3.42Å; F884-A895 HydrophobicContact CD1-CB 4.25Å; F884-A895 HydrophobicContact CE1-CB 4.07Å |
| 896 | L | 53.9 | Low | 44.3 | Very low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.7 | 170.5 | 167.5 | 71.3 | 0 | 0 | 0 | 108.5 | L858 A859 V860 M882 F883 I898 L1015 L1016 L1019 | L858-L896 HydrophobicContact CB-CD1 3.96Å; L858-L896 HydrophobicContact CD2-CD1 3.93Å; L858-L896 HydrophobicContact CD2-CD2 4.48Å; A859-L896 CarbonylContact O-C 3.56Å; A859-L896 WeakPolarHBondContact O-CA 3.41Å; V860-L896 HydrophobicContact CG2-CD1 3.61Å; M882-L896 CarbonylContact C-O 3.55Å; M882-L896 VanDerWaalsContact CA-O 3.25Å; M882-L896 WeakPolarHBondContact CA-O 3.49Å; F883-L896 HydrophobicContact CB-CB 4.24Å; F883-L896 HydrophobicContact CD2-CD2 4.14Å; F883-L896 PolarHBondContact N-O 2.6Å; F883-L896 PolarHBondContact O-N 2.68Å; L896-I898 HydrophobicContact CD1-CG1 4.42Å; L896-I898 HydrophobicContact CD2-CD1 3.94Å; L896-I898 HydrophobicContact CD2-CG1 3.86Å; L896-I898 HydrophobicContact CG-CG1 3.91Å; L896-L1015 HydrophobicContact CB-CD2 3.48Å; L896-L1015 VanDerWaalsContact CB-CD2 3.48Å; L896-L1015 HydrophobicContact CD2-CD2 3.42Å; L896-L1015 VanDerWaalsContact CD2-CD2 3.42Å; L896-L1015 HydrophobicContact CD2-CG 4.18Å; L896-L1015 HydrophobicContact CG-CD2 4.05Å; L896-L1016 HydrophobicContact CD2-CD2 4.35Å; L896-L1019 HydrophobicContact CD2-CD1 3.85Å |
| 897 | I | 55.5 | Low | 43.8 | Very low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.9 | 169.8 | -63 | 167.7 | 0 | 0 | 0 | 107.8 | E828 L831 F848 A859 S880 M882 R899 | E828-I897 HydrophobicContact CG-CD1 3.79Å; L831-I897 HydrophobicContact CD1-CD1 3.44Å; L831-I897 VanDerWaalsContact CD1-CD1 3.44Å; L831-I897 HydrophobicContact CD1-CG1 3.73Å; F848-I897 HydrophobicContact CD1-CD1 4.21Å; F848-I897 HydrophobicContact CE1-CD1 3.61Å; F848-I897 HydrophobicContact CE1-CG1 4.4Å; F848-I897 HydrophobicContact CZ-CD1 4.12Å; A859-I897 HydrophobicContact CB-CB 4.11Å; A859-I897 PolarHBondContact N-O 3.48Å; A859-I897 PolarHBondContact O-N 3.3Å; S880-I897 WeakPolarHBondContact OG-CG2 3.23Å; M882-I897 HydrophobicContact CE-CD1 4.24Å; M882-I897 HydrophobicContact CE-CG1 4.06Å; M882-I897 HydrophobicContact CG-CG1 3.83Å; I897-R899 HydrophobicContact CG2-CG 4.44Å |
| 898 | I | 51 | Low | 43.3 | Very low | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.3 | 173.6 | -48.1 | -170.4 | 0 | 0 | 0 | 109.6 | F856 L858 L881 F883 L896 I903 L1019 | F856-I898 HydrophobicContact CD1-CG2 4.19Å; L858-I898 HydrophobicContact CD2-CB 4.28Å; L858-I898 HydrophobicContact CD2-CD1 4.14Å; L858-I898 HydrophobicContact CD2-CG1 3.81Å; L858-I898 HydrophobicContact CD2-CG2 3.94Å; L881-I898 HydrophobicContact CB-CB 4.24Å; L881-I898 PolarHBondContact N-O 3.42Å; L881-I898 PolarHBondContact O-N 3.28Å; F883-I898 HydrophobicContact CD2-CD1 3.9Å; F883-I898 HydrophobicContact CD2-CG1 4.24Å; F883-I898 HydrophobicContact CE2-CD1 3.53Å; F883-I898 HydrophobicContact CE2-CG1 4.24Å; L896-I898 HydrophobicContact CD1-CG1 4.42Å; L896-I898 HydrophobicContact CD2-CD1 3.94Å; L896-I898 HydrophobicContact CD2-CG1 3.86Å; L896-I898 HydrophobicContact CG-CG1 3.91Å; I898-I903 HydrophobicContact CB-CD1 3.93Å; I898-I903 HydrophobicContact CG2-CD1 3.45Å; I898-I903 VanDerWaalsContact CG2-CD1 3.45Å; I898-L1019 HydrophobicContact CD1-CD1 4.22Å |
| 899 | R | 52.8 | Low | 42.3 | Very low | 19 Ų | 19 | 54.7 Ų | 54.7 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.4 | 167.5 | -71.8 | -175.8 | 171.3 | 80.3 | -4.3 | 110.1 | E828 I857 I897 D1049 | E828-R899 IonicContact OE1-CZ 3Å; E828-R899 IonicContact OE1-NH1 2.92Å; E828-R899 PolarHBondContact OE1-NH1 2.79Å; E828-R899 IonicContact OE1-NH2 2.84Å; E828-R899 PolarHBondContact OE1-NH2 2.94Å; E828-R899 IonicContact OE2-CZ 3.54Å; E828-R899 IonicContact OE2-NH1 3.21Å; E828-R899 IonicContact OE2-NH2 3.63Å; E828-R899 PolarHBondContact OE2-NH2 3.46Å; I857-R899 HydrophobicContact CB-CB 4.12Å; I857-R899 PolarHBondContact N-O 3.43Å; I857-R899 WeakPolarHBondContact O-CB 3.2Å; I857-R899 PolarHBondContact O-N 3.13Å; I897-R899 HydrophobicContact CG2-CG 4.44Å; R899-D1049 IonicContact CZ-OD1 2.79Å; R899-D1049 IonicContact CZ-OD2 3.46Å; R899-D1049 IonicContact NE-OD1 3.41Å; R899-D1049 PolarHBondContact NE-OD1 3.17Å; R899-D1049 IonicContact NE-OD2 2.99Å; R899-D1049 PolarHBondContact NE-OD2 3.44Å; R899-D1049 IonicContact NH2-OD1 2.9Å; R899-D1049 IonicContact NH2-OD2 2.78Å; R899-D1049 PolarHBondContact NH2-OD2 3.43Å |
| 900 | S | 48.1 | Very low | 41.5 | Very low | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | trans | -133.4 | 141.8 | 169.9 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | F856 L902 I903 | F856-S900 VanDerWaalsContact CE1-OG 3.27Å; F856-S900 WeakPolarHBondContact CE1-OG 3.28Å; S900-L902 PolarHBondContact O-N 3.47Å; S900-L902 PolarHBondContact OG-N 3.27Å; S900-L902 VanDerWaalsContact OG-N 3.15Å; S900-I903 PolarHBondContact O-N 3.39Å | ||
| 901 | P | 42.1 | Very low | 40.4 | Very low | 88 Ų | 88 | 57 Ų | 57 | 57% | 0.571 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -27 | 165.3 | -23.7 | 32.8 | 0 | 0 | 0 | 113 | ||
| 902 | L | 39.3 | Very low | 39.6 | Very low | 82 Ų | 82 | 59.3 Ų | 59.3 | 43% | 0.429 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -42.2 | 179.9 | -107.9 | 87.9 | 0 | 0 | 0 | 114.1 | S900 M904 A905 | S900-L902 PolarHBondContact O-N 3.47Å; S900-L902 PolarHBondContact OG-N 3.27Å; S900-L902 VanDerWaalsContact OG-N 3.15Å; L902-M904 PolarHBondContact O-N 2.71Å; L902-A905 WeakPolarHBondContact O-CB 2.94Å; L902-A905 PolarHBondContact O-N 3.28Å |
| 903 | I | 38.6 | Very low | 38.9 | Very low | 20 Ų | 20 | 59 Ų | 59 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -65.1 | -26.1 | -174.1 | -72.7 | 170.4 | 0 | 0 | 0 | 111.6 | L881 I898 S900 A905 T906 | L881-I903 HydrophobicContact CB-CD1 4.34Å; L881-I903 HydrophobicContact CB-CG2 3.85Å; L881-I903 HydrophobicContact CD1-CB 4.4Å; L881-I903 HydrophobicContact CD1-CD1 3.81Å; L881-I903 HydrophobicContact CD1-CG1 3.89Å; L881-I903 HydrophobicContact CD1-CG2 3.68Å; L881-I903 HydrophobicContact CG-CG2 3.97Å; I898-I903 HydrophobicContact CB-CD1 3.93Å; I898-I903 HydrophobicContact CG2-CD1 3.45Å; I898-I903 VanDerWaalsContact CG2-CD1 3.45Å; S900-I903 PolarHBondContact O-N 3.39Å; I903-A905 PolarHBondContact O-N 3.42Å; I903-T906 PolarHBondContact O-N 3.45Å |
| 904 | M | 34.4 | Very low | 37.7 | Very low | 49 Ų | 49 | 63.1 Ų | 63.1 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -58.4 | -6.1 | 170.3 | -70.9 | -167 | -85.7 | 0 | 0 | 114.2 | L902 | L902-M904 PolarHBondContact O-N 2.71Š|
| 905 | A | 32.9 | Very low | 36.7 | Very low | 29 Ų | 29 | 73.2 Ų | 73.2 | 24% | 0.24 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -109.5 | -13.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L902 I903 | L902-A905 WeakPolarHBondContact O-CB 2.94Å; L902-A905 PolarHBondContact O-N 3.28Å; I903-A905 PolarHBondContact O-N 3.42Å |
| 906 | T | 30.3 | Very low | 35.6 | Very low | 33 Ų | 33 | 78.3 Ų | 78.3 | 20% | 0.202 | 41% | 0.406 | C | S | . | . | trans | -141.1 | 105.5 | -168.8 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | S813 I903 | S813-T906 VanDerWaalsContact O-CG2 3.25Å; S813-T906 WeakPolarHBondContact O-CG2 3.26Å; I903-T906 PolarHBondContact O-N 3.45Å | ||
| 907 | C | 28.3 | Very low | 34.5 | Very low | 54 Ų | 54 | 87.6 Ų | 87.6 | 37% | 0.365 | 45% | 0.45 | S | S | . | . | trans | -108.4 | 124.4 | 169.6 | -59 | 0 | 0 | 0 | 0 | 110.6 | C878 | C878-C907 WeakPolarHBondContact CA-SG 3.35Å; C878-C907 HydrophobicContact CB-CB 4.21Å; C878-C907 WeakPolarHBondContact CB-SG 3.35Å; C878-C907 WeakPolarHBondContact SG-CB 3.41Å; C878-C907 CovalentContact SG-SG 2.01Å; C878-C907 PolarHBondContact SG-SG 2.97Å | ||
| 908 | Q | 28.2 | Very low | 33.4 | Very low | 104 Ų | 104 | 95.9 Ų | 95.9 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | trans | -129.4 | 134.9 | 162.4 | -66.6 | -173.8 | 2 | 0 | 0 | 108.3 | Y910 | Q908-Y910 HydrophobicContact CB-CE2 4.01Å; Q908-Y910 PolarHBondContact OE1-OH 3.36Å | ||
| 909 | L | 25.7 | Very low | 32.5 | Very low | 143 Ų | 143 | 104 Ų | 104 | 75% | 0.749 | 53% | 0.526 | S | S | * | . | trans | -84.3 | 120.2 | 174.5 | -163.6 | 116.4 | 0 | 0 | 0 | 108.2 | ||||
| 910 | Y | 27.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 107.2 Ų | 107.2 | 62% | 0.624 | 57% | 0.566 | S | S | * | * | trans | -109.9 | 114 | 170.8 | -67 | -77.1 | 0 | 0 | 0 | 109.4 | Q908 | Q908-Y910 HydrophobicContact CB-CE2 4.01Å; Q908-Y910 PolarHBondContact OE1-OH 3.36Å | ||
| 911 | E | 25.1 | Very low | 30.5 | Very low | 134 Ų | 134 | 115.5 Ų | 115.5 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | trans | -90.5 | 103.1 | 174.4 | -154.9 | -172.6 | 173.1 | 0 | 0 | 109.1 | L913 | E911-L913 VanDerWaalsContact C-N 3.34Å; E911-L913 HydrophobicContact CG-CD1 4.39Å; E911-L913 HydrophobicContact CG-CD2 4.42Å; E911-L913 HydrophobicContact CG-CG 3.93Å; E911-L913 PolarHBondContact O-N 2.88Å; E911-L913 WeakPolarHBondContact OE1-CD2 3.45Å | ||
| 912 | L | 24.9 | Very low | 29.9 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | trans | -84.3 | 77 | 172.4 | -104.1 | 148.3 | 0 | 0 | 0 | 109 | T914 | L912-T914 PolarHBondContact O-N 3.31Š| ||
| 913 | L | 25.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | trans | -73.9 | 89.2 | 173 | -74.6 | 170 | 0 | 0 | 0 | 110.1 | E911 R915 | E911-L913 VanDerWaalsContact C-N 3.34Å; E911-L913 HydrophobicContact CG-CD1 4.39Å; E911-L913 HydrophobicContact CG-CD2 4.42Å; E911-L913 HydrophobicContact CG-CG 3.93Å; E911-L913 PolarHBondContact O-N 2.88Å; E911-L913 WeakPolarHBondContact OE1-CD2 3.45Å; L913-R915 PolarHBondContact O-N 3.06Å | ||
| 914 | T | 26.2 | Very low | 28.7 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -77 | 72.6 | 164.3 | 44.2 | 0 | 0 | 0 | 0 | 109.6 | L912 | L912-T914 PolarHBondContact O-N 3.31Š| ||
| 915 | R | 27 | Very low | 28.2 | Very low | 212 Ų | 212 | 134 Ų | 134 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | trans | -92.7 | 130.1 | 167.3 | -87.3 | -171.3 | 170.7 | -179.6 | -1.4 | 111.2 | L913 | L913-R915 PolarHBondContact O-N 3.06Š| ||
| 916 | S | 31.7 | Very low | 27.9 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -51.1 | 133.1 | -178.7 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | E918 | S916-E918 VanDerWaalsContact C-N 3.3Å; S916-E918 PolarHBondContact O-N 3.08Å | ||
| 917 | E | 29.8 | Very low | 27.5 | Very low | 198 Ų | 198 | 147 Ų | 147 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -58.1 | 82 | 176 | -63.9 | 179.3 | 150 | 0 | 0 | 111.9 | ||||
| 918 | E | 32.6 | Very low | 27.4 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -131.6 | 115.2 | 160.2 | -71.5 | -166.5 | 164.7 | 0 | 0 | 110.1 | S916 | S916-E918 VanDerWaalsContact C-N 3.3Å; S916-E918 PolarHBondContact O-N 3.08Å | ||
| 919 | E | 32.5 | Very low | 27.1 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | 76 | 69.4 | 162.5 | -52.8 | -163 | 164.8 | 0 | 0 | 119.7 | K921 | E919-K921 PolarHBondContact O-N 3.46Š| ||
| 920 | G | 30.7 | Very low | 27.1 | Very low | 88 Ų | 88 | 153.9 Ų | 153.9 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | 58 | 17.2 | 109 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 921 | K | 27.9 | Very low | 26.9 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 79% | 0.787 | 81% | 0.813 | S | S | * | * | trans | -130.8 | 125.5 | 166 | -83.3 | -179.1 | -179.9 | 171.4 | 0 | 112.4 | E919 L923 | E919-K921 PolarHBondContact O-N 3.46Å; K921-L923 PolarHBondContact O-N 3.33Å; K921-L923 VanDerWaalsContact O-N 3.12Å | ||
| 922 | P | 28.2 | Very low | 27.1 | Very low | 131 Ų | 131 | 156.5 Ų | 156.5 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -67.8 | 112 | 178.6 | 26.1 | -30.8 | 0 | 0 | 0 | 110.2 | ||||
| 923 | L | 27.7 | Very low | 27.2 | Very low | 173 Ų | 173 | 158.5 Ų | 158.5 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 129.9 | 179.2 | -84.4 | 142.3 | 0 | 0 | 0 | 111.1 | K921 | K921-L923 PolarHBondContact O-N 3.33Å; K921-L923 VanDerWaalsContact O-N 3.12Å |
| 924 | S | 26.7 | Very low | 27.3 | Very low | 115 Ų | 115 | 161 Ų | 161 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 137.6 | 174.4 | -38.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 925 | R | 24 | Very low | 27.2 | Very low | 208 Ų | 208 | 165.6 Ų | 165.6 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 136.7 | -178.1 | -102.1 | 177.6 | 173 | 169.7 | -4.1 | 112.6 | K927 | R925-K927 PolarHBondContact O-N 3.14Š|
| 926 | P | 25.4 | Very low | 27 | Very low | 129 Ų | 129 | 166 Ų | 166 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.8 | -176.1 | -11.4 | 26.4 | 0 | 0 | 0 | 112 | G928 | P926-G928 PolarHBondContact O-N 2.66Š|
| 927 | K | 22.9 | Very low | 26.8 | Very low | 207 Ų | 207 | 166.9 Ų | 166.9 | 90% | 0.9 | 84% | 0.844 | S | S | * | * | trans | -80.1 | 113.2 | 172.4 | -69.3 | -177.7 | 177.1 | -178.7 | 0 | 109.6 | R925 | R925-K927 PolarHBondContact O-N 3.14Š| ||
| 928 | G | 24.8 | Very low | 26.6 | Very low | 74 Ų | 74 | 162 Ų | 162 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61 | 143.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P926 | P926-G928 PolarHBondContact O-N 2.66Š|
| 929 | R | 22.7 | Very low | 26.3 | Very low | 246 Ų | 246 | 158.6 Ų | 158.6 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 127.9 | 176.3 | -85.3 | -174.2 | 180 | -175.4 | 1 | 110.8 | ||
| 930 | P | 25.5 | Very low | 26.1 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 133.1 | 180 | 27.9 | -31.5 | 0 | 0 | 0 | 112.5 | ||
| 931 | R | 24.3 | Very low | 26.7 | Very low | 233 Ų | 233 | 158.4 Ų | 158.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 130.5 | 167.8 | -103.9 | -175.6 | 174.8 | 175.1 | -1.8 | 109.7 | E933 | R931-E933 PolarHBondContact O-N 3.22Š|
| 932 | P | 29 | Very low | 26.7 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -8.4 | -166.5 | -16.3 | 32 | 0 | 0 | 0 | 117.7 | ||
| 933 | E | 27 | Very low | 27 | Very low | 184 Ų | 184 | 153.1 Ų | 153.1 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -6 | -162.7 | -71.3 | 176.1 | 177.7 | 0 | 0 | 116.2 | R931 | R931-E933 PolarHBondContact O-N 3.22Š|
| 934 | L | 27.4 | Very low | 27.6 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -105.2 | 79.4 | 168.2 | -90.9 | 91.5 | 0 | 0 | 0 | 110.6 | R936 | L934-R936 PolarHBondContact O-N 3.28Å; L934-R936 VanDerWaalsContact O-N 3.1Å | ||
| 935 | R | 23.9 | Very low | 28.2 | Very low | 227 Ų | 227 | 151.3 Ų | 151.3 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 90.2 | 168.1 | -80.8 | -177.2 | 172.4 | 163.8 | -3 | 110.7 | ||||
| 936 | R | 22.5 | Very low | 28.8 | Very low | 221 Ų | 221 | 143 Ų | 143 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | S | Bend | -135.3 | 134.4 | 125.5 | -73.6 | -169.3 | 178.1 | 172.1 | 0.5 | 106 | L934 V938 | L934-R936 PolarHBondContact O-N 3.28Å; L934-R936 VanDerWaalsContact O-N 3.1Å; R936-V938 PolarHBondContact O-N 3.36Å | |
| 937 | P | 26.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -59.8 | 110.5 | -170 | 24.3 | -31.3 | 0 | 0 | 0 | 108.5 | P939 | P937-P939 WeakPolarHBondContact O-CD 3.36Š| ||
| 938 | V | 25.5 | Very low | 30.2 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 58% | 0.582 | 72% | 0.722 | S | S | * | * | trans | -51.4 | 110.4 | 168.3 | 175.6 | 0 | 0 | 0 | 0 | 105.9 | R936 T940 F941 | R936-V938 PolarHBondContact O-N 3.36Å; V938-T940 PolarHBondContact O-N 2.73Å; V938-F941 HydrophobicContact CG1-CD2 3.68Å; V938-F941 HydrophobicContact CG1-CE2 3.24Å; V938-F941 HydrophobicContact CG1-CZ 4.12Å | ||
| 939 | P | 27.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 71% | 0.71 | S | S | * | * | trans | -57.6 | 118.7 | 169 | -14.5 | 29 | 0 | 0 | 0 | 105 | P937 F941 | P937-P939 WeakPolarHBondContact O-CD 3.36Å; P939-F941 PolarHBondContact O-N 3.44Å | ||
| 940 | T | 27.7 | Very low | 31.7 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | trans | -44.1 | 112.6 | 173.2 | 36.1 | 0 | 0 | 0 | 0 | 108.1 | V938 F942 | V938-T940 PolarHBondContact O-N 2.73Å; T940-F942 CarbonylContact O-C 3.16Å; T940-F942 VanDerWaalsContact O-C 3.32Å; T940-F942 PolarHBondContact O-N 3.46Å | ||
| 941 | F | 42.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -62.4 | 5.1 | -160.8 | -85.5 | -79.4 | 0 | 0 | 0 | 116.5 | V938 P939 | V938-F941 HydrophobicContact CG1-CD2 3.68Å; V938-F941 HydrophobicContact CG1-CE2 3.24Å; V938-F941 HydrophobicContact CG1-CZ 4.12Å; P939-F941 PolarHBondContact O-N 3.44Å |
| 942 | F | 29.2 | Very low | 33.2 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 60% | 0.596 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -143.2 | 114.7 | 160.6 | -64.9 | -69.1 | 0 | 0 | 0 | 105.6 | T940 A946 | T940-F942 CarbonylContact O-C 3.16Å; T940-F942 VanDerWaalsContact O-C 3.32Å; T940-F942 PolarHBondContact O-N 3.46Å; F942-A946 HydrophobicContact CB-CB 3.83Å; F942-A946 HydrophobicContact CD1-CB 3.32Å; F942-A946 HydrophobicContact CE1-CB 4.28Å; F942-A946 HydrophobicContact CG-CB 4Å |
| 943 | P | 34.4 | Very low | 34 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 42% | 0.422 | 64% | 0.641 | S | S | . | * | trans | -50.3 | 148.2 | 151.7 | -14.9 | 27.6 | 0 | 0 | 0 | 106.8 | E945 A946 | P943-E945 HydrophobicContact CB-CB 4.24Å; P943-E945 WeakPolarHBondContact CB-OE2 3.41Å; P943-E945 PolarHBondContact O-N 3.35Å; P943-A946 PolarHBondContact O-N 3.48Å | ||
| 944 | P | 39.5 | Very low | 34.9 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 81% | 0.805 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -48 | -21.2 | 168.7 | -24.1 | 32.6 | 0 | 0 | 0 | 112.5 | A946 | P944-A946 PolarHBondContact O-N 3.31Š|
| 945 | E | 39.9 | Very low | 35.8 | Very low | 127 Ų | 127 | 114.4 Ų | 114.4 | 59% | 0.593 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -72.4 | -10.1 | 173.5 | -59.5 | 115.3 | -170 | 0 | 0 | 116.3 | P943 E947 T948 A949 | P943-E945 HydrophobicContact CB-CB 4.24Å; P943-E945 WeakPolarHBondContact CB-OE2 3.41Å; P943-E945 PolarHBondContact O-N 3.35Å; E945-E947 VanDerWaalsContact C-N 3.35Å; E945-E947 PolarHBondContact O-N 3.03Å; E945-T948 WeakPolarHBondContact CA-OG1 3.39Å; E945-T948 WeakPolarHBondContact CB-OG1 3.1Å; E945-T948 CarbonylContact O-C 3.53Å; E945-T948 WeakPolarHBondContact O-CA 3.37Å; E945-T948 WeakPolarHBondContact O-CB 3.45Å; E945-T948 PolarHBondContact O-N 2.86Å; E945-T948 PolarHBondContact O-OG1 2.65Å; E945-A949 PolarHBondContact O-N 3.23Å |
| 946 | A | 36.3 | Very low | 36.9 | Very low | 34 Ų | 34 | 108.9 Ų | 108.9 | 28% | 0.281 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -74.1 | -25.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F942 P943 P944 T948 A949 | F942-A946 HydrophobicContact CB-CB 3.83Å; F942-A946 HydrophobicContact CD1-CB 3.32Å; F942-A946 HydrophobicContact CE1-CB 4.28Å; F942-A946 HydrophobicContact CG-CB 4Å; P943-A946 PolarHBondContact O-N 3.48Å; P944-A946 PolarHBondContact O-N 3.31Å; A946-T948 PolarHBondContact O-N 3.43Å; A946-A949 VanDerWaalsContact O-CB 3.23Å; A946-A949 WeakPolarHBondContact O-CB 3.5Å; A946-A949 PolarHBondContact O-N 3.42Å; A946-A949 VanDerWaalsContact O-N 3.17Å |
| 947 | E | 37.9 | Very low | 37.9 | Very low | 192 Ų | 192 | 102.4 Ų | 102.4 | 90% | 0.897 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -15.6 | 163.3 | -71.4 | -171 | 174.7 | 0 | 0 | 111.8 | E945 | E945-E947 VanDerWaalsContact C-N 3.35Å; E945-E947 PolarHBondContact O-N 3.03Å |
| 948 | T | 39.5 | Very low | 38.5 | Very low | 97 Ų | 97 | 102.6 Ų | 102.6 | 60% | 0.595 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 4.4 | 168.2 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | E945 A946 P950 | E945-T948 WeakPolarHBondContact CA-OG1 3.39Å; E945-T948 WeakPolarHBondContact CB-OG1 3.1Å; E945-T948 CarbonylContact O-C 3.53Å; E945-T948 WeakPolarHBondContact O-CA 3.37Å; E945-T948 WeakPolarHBondContact O-CB 3.45Å; E945-T948 PolarHBondContact O-N 2.86Å; E945-T948 PolarHBondContact O-OG1 2.65Å; A946-T948 PolarHBondContact O-N 3.43Å; T948-P950 WeakPolarHBondContact O-CD 3.02Å |
| 949 | A | 39.1 | Very low | 39.2 | Very low | 62 Ų | 62 | 103.3 Ų | 103.3 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | trans | -59.7 | 111.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | E945 A946 R951 | E945-A949 PolarHBondContact O-N 3.23Å; A946-A949 VanDerWaalsContact O-CB 3.23Å; A946-A949 WeakPolarHBondContact O-CB 3.5Å; A946-A949 PolarHBondContact O-N 3.42Å; A946-A949 VanDerWaalsContact O-N 3.17Å; A949-R951 PolarHBondContact O-N 3.33Å | ||
| 950 | P | 39.4 | Very low | 39.8 | Very low | 92 Ų | 92 | 106.3 Ų | 106.3 | 60% | 0.597 | 57% | 0.573 | S | S | * | * | trans | -69.3 | 114.1 | -170.4 | 21.6 | -25.3 | 0 | 0 | 0 | 109.1 | I764 T948 C952 | I764-P950 HydrophobicContact CD1-CG 4.21Å; T948-P950 WeakPolarHBondContact O-CD 3.02Å; P950-C952 PolarHBondContact O-N 2.89Å | ||
| 951 | R | 39.5 | Very low | 40.3 | Very low | 187 Ų | 187 | 107.3 Ų | 107.3 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | trans | -53.7 | 130.2 | 172.5 | -68.6 | -173.9 | 179.2 | -174.4 | -0.6 | 109.4 | A949 D955 | A949-R951 PolarHBondContact O-N 3.33Å; R951-D955 HydrophobicContact CB-CB 4.35Å | ||
| 952 | C | 41.9 | Very low | 40.2 | Very low | 16 Ų | 16 | 107.5 Ų | 107.5 | 11% | 0.108 | 57% | 0.572 | C | S | . | * | trans | -78.7 | 162.2 | 175.2 | 72.9 | 0 | 0 | 0 | 0 | 110.1 | I764 P950 A954 D955 L956 | I764-C952 HydrophobicContact CB-CB 4.25Å; I764-C952 HydrophobicContact CG1-CB 3.98Å; P950-C952 PolarHBondContact O-N 2.89Å; C952-A954 PolarHBondContact O-N 3.1Å; C952-D955 PolarHBondContact N-OD2 2.96Å; C952-D955 WeakPolarHBondContact O-CB 3.39Å; C952-D955 PolarHBondContact O-N 3.33Å; C952-D955 VanDerWaalsContact O-N 3.08Å; C952-D955 PolarHBondContact SG-OD2 3.47Å; C952-L956 PolarHBondContact O-N 3.13Å | ||
| 953 | K | 46.6 | Very low | 40.8 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.5 | -24.1 | 177.4 | -77.6 | 178.2 | 180 | 170.9 | 0 | 113 | K766 L956 S957 | K766-K953 HydrophobicContact CB-CD 3.87Å; K766-K953 HydrophobicContact CD-CD 4.18Å; K766-K953 HydrophobicContact CG-CD 3.68Å; K953-L956 PolarHBondContact O-N 3.13Å; K953-S957 PolarHBondContact O-N 3.49Å |
| 954 | A | 45.8 | Very low | 41.4 | Very low | 30 Ų | 30 | 109.6 Ų | 109.6 | 25% | 0.248 | 58% | 0.583 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | L769 C952 L956 S957 | L769-A954 HydrophobicContact CD2-CB 3.87Å; C952-A954 PolarHBondContact O-N 3.1Å; A954-L956 PolarHBondContact O-N 3.48Å; A954-S957 WeakPolarHBondContact O-CB 3.45Å; A954-S957 PolarHBondContact O-N 3.04Å; A954-S957 PolarHBondContact O-OG 3.31Å |
| 955 | D | 47.4 | Very low | 42.3 | Very low | 87 Ų | 87 | 109.5 Ų | 109.5 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -61 | -36.3 | 175.3 | -53.2 | -40.1 | 0 | 0 | 0 | 111.8 | R951 C952 S957 | R951-D955 HydrophobicContact CB-CB 4.35Å; C952-D955 PolarHBondContact N-OD2 2.96Å; C952-D955 WeakPolarHBondContact O-CB 3.39Å; C952-D955 PolarHBondContact O-N 3.33Å; C952-D955 VanDerWaalsContact O-N 3.08Å; C952-D955 PolarHBondContact SG-OD2 3.47Å; D955-S957 VanDerWaalsContact C-N 3.32Å |
| 956 | L | 46.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 111 Ų | 111 | 58% | 0.581 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -80 | -12.1 | 177.9 | -58.5 | 177 | 0 | 0 | 0 | 113.5 | C952 K953 A954 I958 | C952-L956 PolarHBondContact O-N 3.13Å; K953-L956 PolarHBondContact O-N 3.13Å; A954-L956 PolarHBondContact O-N 3.48Å; L956-I958 VanDerWaalsContact C-N 3.26Å |
| 957 | S | 42 | Very low | 43 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -76.7 | -18 | 177.9 | 74.5 | 0 | 0 | 0 | 0 | 112.5 | K953 A954 D955 P959 | K953-S957 PolarHBondContact O-N 3.49Å; A954-S957 WeakPolarHBondContact O-CB 3.45Å; A954-S957 PolarHBondContact O-N 3.04Å; A954-S957 PolarHBondContact O-OG 3.31Å; D955-S957 VanDerWaalsContact C-N 3.32Å; S957-P959 WeakPolarHBondContact O-CD 3.44Å |
| 958 | I | 40.9 | Very low | 44.2 | Very low | 128 Ų | 128 | 107.7 Ų | 107.7 | 66% | 0.656 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -72.3 | 108.1 | 167.3 | -54 | 175.7 | 0 | 0 | 0 | 106.7 | L956 E960 | L956-I958 VanDerWaalsContact C-N 3.26Å; I958-E960 PolarHBondContact O-N 2.7Å |
| 959 | P | 40.2 | Very low | 45 | Very low | 111 Ų | 111 | 111.8 Ų | 111.8 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | trans | -61.9 | 129.7 | -176.5 | -18.8 | 32.3 | 0 | 0 | 0 | 109.9 | S957 M961 | S957-P959 WeakPolarHBondContact O-CD 3.44Å; P959-M961 PolarHBondContact O-N 2.75Å; P959-M961 VanDerWaalsContact O-N 3.12Å | ||
| 960 | E | 39 | Very low | 45.1 | Very low | 165 Ų | 165 | 114 Ų | 114 | 77% | 0.771 | 57% | 0.57 | S | S | * | * | trans | -55.3 | 122.5 | 166 | -91 | -176.4 | 164.7 | 0 | 0 | 108.3 | I958 K962 | I958-E960 PolarHBondContact O-N 2.7Å; E960-K962 VanDerWaalsContact C-N 3.29Å; E960-K962 PolarHBondContact O-N 3.29Å | ||
| 961 | M | 38.1 | Very low | 45.8 | Very low | 137 Ų | 137 | 113.1 Ų | 113.1 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | trans | -68.2 | 85.9 | -173.8 | -169.5 | 170.6 | 57.6 | 0 | 0 | 110 | P959 | P959-M961 PolarHBondContact O-N 2.75Å; P959-M961 VanDerWaalsContact O-N 3.12Å | ||
| 962 | K | 40.5 | Very low | 47 | Very low | 159 Ų | 159 | 107.4 Ų | 107.4 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | trans | -68.5 | 138 | 177.8 | -71.5 | -179 | -179.6 | 179.1 | 0 | 109.9 | E960 D964 | E960-K962 VanDerWaalsContact C-N 3.29Å; E960-K962 PolarHBondContact O-N 3.29Å; K962-D964 PolarHBondContact O-N 3.05Å | ||
| 963 | M | 42.2 | Very low | 47.7 | Very low | 140 Ų | 140 | 112.2 Ų | 112.2 | 69% | 0.69 | 57% | 0.572 | S | S | * | * | trans | -69 | 69 | 178 | -71.8 | -74.7 | -73.7 | 0 | 0 | 110.6 | R967 | M963-R967 PolarHBondContact SD-NH1 2.86Å; M963-R967 VanDerWaalsContact SD-NH1 3.44Å | ||
| 964 | D | 47.5 | Very low | 47.7 | Very low | 105 Ų | 105 | 109.9 Ų | 109.9 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | trans | -83.4 | 157.8 | 177.5 | -83.1 | -16 | 0 | 0 | 0 | 111.7 | K962 Q966 R967 S968 | K962-D964 PolarHBondContact O-N 3.05Å; D964-Q966 PolarHBondContact O-N 3.38Å; D964-R967 WeakPolarHBondContact O-CB 3.44Å; D964-R967 PolarHBondContact O-N 3.35Å; D964-S968 PolarHBondContact O-N 2.85Å | ||
| 965 | D | 57.5 | Low | 48.2 | Very low | 122 Ų | 122 | 117.1 Ų | 117.1 | 65% | 0.652 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -49.9 | -25.6 | 175 | -83.8 | -19.9 | 0 | 0 | 0 | 113.4 | S968 R969 | D965-S968 PolarHBondContact O-N 3.17Å; D965-R969 WeakPolarHBondContact O-CB 3.45Å; D965-R969 WeakPolarHBondContact O-CG 3.49Å; D965-R969 PolarHBondContact O-N 3.16Å |
| 966 | Q | 45.8 | Very low | 48.9 | Very low | 158 Ų | 158 | 115.1 Ų | 115.1 | 74% | 0.738 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.5 | -39 | 175.6 | -142.7 | 178.1 | -5.4 | 0 | 0 | 111.9 | D964 M970 | D964-Q966 PolarHBondContact O-N 3.38Å; Q966-M970 VanDerWaalsContact O-CB 3.3Å; Q966-M970 WeakPolarHBondContact O-CB 3.47Å; Q966-M970 PolarHBondContact O-N 3.03Å |
| 967 | R | 46.2 | Very low | 49.1 | Very low | 95 Ų | 95 | 116.2 Ų | 116.2 | 36% | 0.358 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.8 | -39.1 | 172.3 | -165.5 | -178.8 | -173.3 | -173.3 | 3.9 | 111.1 | M963 D964 R969 M970 L971 | M963-R967 PolarHBondContact SD-NH1 2.86Å; M963-R967 VanDerWaalsContact SD-NH1 3.44Å; D964-R967 WeakPolarHBondContact O-CB 3.44Å; D964-R967 PolarHBondContact O-N 3.35Å; R967-R969 VanDerWaalsContact C-N 3.34Å; R967-R969 PolarHBondContact O-N 2.89Å; R967-M970 PolarHBondContact O-N 3.14Å; R967-L971 HydrophobicContact CG-CD1 4.1Å; R967-L971 HydrophobicContact CG-CG 4.33Å; R967-L971 WeakPolarHBondContact O-CB 3.49Å; R967-L971 VanDerWaalsContact O-CG 3.3Å; R967-L971 WeakPolarHBondContact O-CG 3.26Å; R967-L971 PolarHBondContact O-N 3.1Å |
| 968 | S | 61.2 | Low | 49.5 | Very low | 62 Ų | 62 | 117.4 Ų | 117.4 | 43% | 0.434 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.4 | -42.1 | 174.3 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | D964 D965 S972 | D964-S968 PolarHBondContact O-N 2.85Å; D965-S968 PolarHBondContact O-N 3.17Å; S968-S972 VanDerWaalsContact O-CB 3.29Å; S968-S972 WeakPolarHBondContact O-CB 3.33Å; S968-S972 PolarHBondContact O-N 3.36Å |
| 969 | R | 57.5 | Low | 50.3 | Low | 183 Ų | 183 | 116.7 Ų | 116.7 | 69% | 0.691 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.2 | -46.2 | 172.3 | -77.6 | -178.5 | -166.2 | 179.8 | 6 | 111.4 | D965 R967 S972 L973 | D965-R969 WeakPolarHBondContact O-CB 3.45Å; D965-R969 WeakPolarHBondContact O-CG 3.49Å; D965-R969 PolarHBondContact O-N 3.16Å; R967-R969 VanDerWaalsContact C-N 3.34Å; R967-R969 PolarHBondContact O-N 2.89Å; R969-S972 CarbonylContact O-C 3.57Å; R969-S972 PolarHBondContact O-N 3.38Å; R969-S972 PolarHBondContact O-OG 3.03Å; R969-L973 WeakPolarHBondContact O-CB 3.38Å; R969-L973 PolarHBondContact O-N 2.94Å |
| 970 | M | 41.5 | Very low | 51.3 | Low | 108 Ų | 108 | 117.8 Ų | 117.8 | 53% | 0.532 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -44.9 | 179.5 | -167.8 | 146.8 | 61 | 0 | 0 | 112 | Q966 R967 S972 L973 I974 | Q966-M970 VanDerWaalsContact O-CB 3.3Å; Q966-M970 WeakPolarHBondContact O-CB 3.47Å; Q966-M970 PolarHBondContact O-N 3.03Å; R967-M970 PolarHBondContact O-N 3.14Å; M970-S972 VanDerWaalsContact C-N 3.34Å; M970-S972 PolarHBondContact O-N 2.72Å; M970-L973 WeakPolarHBondContact O-CB 3.45Å; M970-L973 PolarHBondContact O-N 2.97Å; M970-L973 VanDerWaalsContact O-N 3.16Å; M970-I974 HydrophobicContact CG-CD1 4.32Å; M970-I974 VanDerWaalsContact O-CG1 3.26Å; M970-I974 WeakPolarHBondContact O-CG1 3.46Å; M970-I974 PolarHBondContact O-N 2.94Å |
| 971 | L | 52.6 | Low | 51.6 | Low | 73 Ų | 73 | 114.9 Ų | 114.9 | 38% | 0.382 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 172.9 | -72.9 | 170.8 | 0 | 0 | 0 | 111.7 | R967 L973 R975 | R967-L971 HydrophobicContact CG-CD1 4.1Å; R967-L971 HydrophobicContact CG-CG 4.33Å; R967-L971 WeakPolarHBondContact O-CB 3.49Å; R967-L971 VanDerWaalsContact O-CG 3.3Å; R967-L971 WeakPolarHBondContact O-CG 3.26Å; R967-L971 PolarHBondContact O-N 3.1Å; L971-L973 VanDerWaalsContact C-N 3.33Å; L971-R975 WeakPolarHBondContact O-CB 3.43Å; L971-R975 WeakPolarHBondContact O-CG 3.45Å; L971-R975 PolarHBondContact O-N 3.06Å |
| 972 | S | 65.4 | Low | 52.5 | Low | 67 Ų | 67 | 115.5 Ų | 115.5 | 47% | 0.469 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 173.7 | 83.8 | 0 | 0 | 0 | 0 | 112 | S968 R969 M970 R975 S976 | S968-S972 VanDerWaalsContact O-CB 3.29Å; S968-S972 WeakPolarHBondContact O-CB 3.33Å; S968-S972 PolarHBondContact O-N 3.36Å; R969-S972 CarbonylContact O-C 3.57Å; R969-S972 PolarHBondContact O-N 3.38Å; R969-S972 PolarHBondContact O-OG 3.03Å; M970-S972 VanDerWaalsContact C-N 3.34Å; M970-S972 PolarHBondContact O-N 2.72Å; S972-R975 PolarHBondContact O-N 3.02Å; S972-S976 VanDerWaalsContact O-CB 3.25Å; S972-S976 WeakPolarHBondContact O-CB 3.3Å; S972-S976 PolarHBondContact O-N 3.21Å; S972-S976 PolarHBondContact O-OG 2.92Å |
| 973 | L | 57.1 | Low | 53.5 | Low | 118 Ų | 118 | 112 Ų | 112 | 62% | 0.618 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -45.8 | 178 | -154.4 | 91.4 | 0 | 0 | 0 | 110 | R969 M970 L971 S976 F977 | R969-L973 WeakPolarHBondContact O-CB 3.38Å; R969-L973 PolarHBondContact O-N 2.94Å; M970-L973 WeakPolarHBondContact O-CB 3.45Å; M970-L973 PolarHBondContact O-N 2.97Å; M970-L973 VanDerWaalsContact O-N 3.16Å; L971-L973 VanDerWaalsContact C-N 3.33Å; L973-S976 PolarHBondContact O-N 2.97Å; L973-S976 PolarHBondContact O-OG 3.12Å; L973-F977 WeakPolarHBondContact O-CB 3.45Å; L973-F977 PolarHBondContact O-N 2.69Å |
| 974 | I | 46.1 | Very low | 54.2 | Low | 63 Ų | 63 | 110.7 Ų | 110.7 | 32% | 0.323 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.7 | -50.8 | 174.6 | -66.8 | 164.1 | 0 | 0 | 0 | 110.2 | M970 S976 F977 E978 | M970-I974 HydrophobicContact CG-CD1 4.32Å; M970-I974 VanDerWaalsContact O-CG1 3.26Å; M970-I974 WeakPolarHBondContact O-CG1 3.46Å; M970-I974 PolarHBondContact O-N 2.94Å; I974-S976 VanDerWaalsContact C-N 3.32Å; I974-S976 PolarHBondContact O-N 2.99Å; I974-F977 WeakPolarHBondContact O-CB 3.31Å; I974-F977 PolarHBondContact O-N 3Å; I974-F977 VanDerWaalsContact O-N 3.12Å; I974-E978 PolarHBondContact O-N 2.88Å |
| 975 | R | 56.8 | Low | 54.3 | Low | 182 Ų | 182 | 111.4 Ų | 111.4 | 69% | 0.687 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -39.3 | 176.5 | -74.5 | 179.6 | -176.3 | 177.1 | 1.9 | 112.5 | L971 S972 F977 E978 H979 | L971-R975 WeakPolarHBondContact O-CB 3.43Å; L971-R975 WeakPolarHBondContact O-CG 3.45Å; L971-R975 PolarHBondContact O-N 3.06Å; S972-R975 PolarHBondContact O-N 3.02Å; R975-F977 VanDerWaalsContact C-N 3.3Å; R975-F977 PolarHBondContact O-N 3.38Å; R975-E978 PolarHBondContact O-N 3.25Å; R975-H979 WeakPolarHBondContact O-CB 3.38Å; R975-H979 PolarHBondContact O-N 3.12Å |
| 976 | S | 62.7 | Low | 54 | Low | 45 Ų | 45 | 108.6 Ų | 108.6 | 32% | 0.315 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -33.8 | 176.9 | 80.4 | 0 | 0 | 0 | 0 | 112.1 | S972 L973 I974 R980 | S972-S976 VanDerWaalsContact O-CB 3.25Å; S972-S976 WeakPolarHBondContact O-CB 3.3Å; S972-S976 PolarHBondContact O-N 3.21Å; S972-S976 PolarHBondContact O-OG 2.92Å; L973-S976 PolarHBondContact O-N 2.97Å; L973-S976 PolarHBondContact O-OG 3.12Å; I974-S976 VanDerWaalsContact C-N 3.32Å; I974-S976 PolarHBondContact O-N 2.99Å; S976-R980 WeakPolarHBondContact O-CB 3.38Å; S976-R980 PolarHBondContact O-N 3.03Å |
| 977 | F | 50.1 | Low | 54.4 | Low | 134 Ų | 134 | 109.2 Ų | 109.2 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.4 | -44.5 | 177.4 | -153.9 | -83.9 | 0 | 0 | 0 | 110.6 | L973 I974 R975 H979 R980 Y981 | L973-F977 WeakPolarHBondContact O-CB 3.45Å; L973-F977 PolarHBondContact O-N 2.69Å; I974-F977 WeakPolarHBondContact O-CB 3.31Å; I974-F977 PolarHBondContact O-N 3Å; I974-F977 VanDerWaalsContact O-N 3.12Å; R975-F977 VanDerWaalsContact C-N 3.3Å; R975-F977 PolarHBondContact O-N 3.38Å; F977-H979 VanDerWaalsContact C-N 3.33Å; F977-H979 PolarHBondContact O-N 3.47Å; F977-R980 PolarHBondContact O-N 2.86Å; F977-Y981 VanDerWaalsContact O-CB 3.29Å; F977-Y981 WeakPolarHBondContact O-CB 3.5Å; F977-Y981 PolarHBondContact O-N 2.72Å |
| 978 | E | 50.2 | Low | 54.5 | Low | 110 Ų | 110 | 111.7 Ų | 111.7 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 172.8 | -74.5 | -174.7 | 152.1 | 0 | 0 | 112.3 | I974 R975 K982 | I974-E978 PolarHBondContact O-N 2.88Å; R975-E978 PolarHBondContact O-N 3.25Å; E978-K982 WeakPolarHBondContact O-CG 3.38Å; E978-K982 PolarHBondContact O-N 2.7Å |
| 979 | H | 59.2 | Low | 53.7 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 177.7 | -171.4 | -83.9 | 0 | 0 | 0 | 111.6 | R975 F977 Y981 K982 E983 | R975-H979 WeakPolarHBondContact O-CB 3.38Å; R975-H979 PolarHBondContact O-N 3.12Å; F977-H979 VanDerWaalsContact C-N 3.33Å; F977-H979 PolarHBondContact O-N 3.47Å; H979-Y981 VanDerWaalsContact C-N 3.29Å; H979-Y981 PolarHBondContact O-N 3.49Å; H979-K982 PolarHBondContact O-N 2.77Å; H979-E983 IonicContact CE1-OE1 3.22Å; H979-E983 PolarHBondContact CE1-OE1 3.05Å; H979-E983 VanDerWaalsContact CE1-OE1 3.22Å; H979-E983 IonicContact CE1-OE2 3.82Å; H979-E983 IonicContact ND1-OE1 3.45Å; H979-E983 IonicContact ND1-OE2 2.68Å; H979-E983 PolarHBondContact O-N 2.88Å |
| 980 | R | 61.1 | Low | 53.1 | Low | 135 Ų | 135 | 113.3 Ų | 113.3 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 179.2 | -158.8 | -174.3 | -50.1 | 160.9 | 7.4 | 111.7 | S976 F977 E983 E984 | S976-R980 WeakPolarHBondContact O-CB 3.38Å; S976-R980 PolarHBondContact O-N 3.03Å; F977-R980 PolarHBondContact O-N 2.86Å; R980-E983 PolarHBondContact O-N 2.71Å; R980-E984 PolarHBondContact O-N 3.46Å |
| 981 | Y | 44.5 | Very low | 53.2 | Low | 103 Ų | 103 | 115 Ų | 115 | 40% | 0.404 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.8 | -173.6 | -101.2 | 0 | 0 | 0 | 112.4 | F977 H979 R985 | F977-Y981 VanDerWaalsContact O-CB 3.29Å; F977-Y981 WeakPolarHBondContact O-CB 3.5Å; F977-Y981 PolarHBondContact O-N 2.72Å; H979-Y981 VanDerWaalsContact C-N 3.29Å; H979-Y981 PolarHBondContact O-N 3.49Å; Y981-R985 WeakPolarHBondContact O-CB 3.42Å; Y981-R985 PolarHBondContact O-N 3.41Å |
| 982 | K | 56.7 | Low | 52.5 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 65% | 0.652 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.6 | -40 | 173.5 | -76.8 | 175.9 | 180 | 174.4 | 0 | 111.9 | E978 H979 R985 A986 | E978-K982 WeakPolarHBondContact O-CG 3.38Å; E978-K982 PolarHBondContact O-N 2.7Å; H979-K982 PolarHBondContact O-N 2.77Å; K982-R985 PolarHBondContact O-N 3.2Å; K982-A986 WeakPolarHBondContact O-CB 3.09Å; K982-A986 PolarHBondContact O-N 2.89Å |
| 983 | E | 61.4 | Low | 51 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 41% | 0.407 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -45.3 | 177.3 | -76.6 | -177.5 | 143 | 0 | 0 | 113.1 | H979 R980 R985 A986 R987 | H979-E983 IonicContact CE1-OE1 3.22Å; H979-E983 PolarHBondContact CE1-OE1 3.05Å; H979-E983 VanDerWaalsContact CE1-OE1 3.22Å; H979-E983 IonicContact CE1-OE2 3.82Å; H979-E983 IonicContact ND1-OE1 3.45Å; H979-E983 IonicContact ND1-OE2 2.68Å; H979-E983 PolarHBondContact O-N 2.88Å; R980-E983 PolarHBondContact O-N 2.71Å; E983-R985 PolarHBondContact O-N 2.91Å; E983-A986 PolarHBondContact O-N 3.4Å; E983-R987 PolarHBondContact O-N 2.71Å |
| 984 | E | 57.5 | Low | 49.9 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.2 | -39.5 | 175.7 | -84.4 | -178.6 | 161.9 | 0 | 0 | 111.5 | R980 R987 Q988 | R980-E984 PolarHBondContact O-N 3.46Å; E984-R987 PolarHBondContact O-N 2.8Å; E984-Q988 WeakPolarHBondContact O-CG 3.33Å; E984-Q988 PolarHBondContact O-N 2.78Å |
| 985 | R | 49.1 | Very low | 49.4 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 45% | 0.453 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.7 | -30 | 178.5 | -147.8 | 178.6 | -171.1 | 153.9 | 2.4 | 113.1 | Y981 K982 E983 R989 | Y981-R985 WeakPolarHBondContact O-CB 3.42Å; Y981-R985 PolarHBondContact O-N 3.41Å; K982-R985 PolarHBondContact O-N 3.2Å; E983-R985 PolarHBondContact O-N 2.91Å; R985-R989 WeakPolarHBondContact O-CG 3.45Å; R985-R989 PolarHBondContact O-N 3.23Å |
| 986 | A | 52.4 | Low | 48.1 | Very low | 63 Ų | 63 | 124.2 Ų | 124.2 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.6 | -40.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K982 E983 R989 S990 | K982-A986 WeakPolarHBondContact O-CB 3.09Å; K982-A986 PolarHBondContact O-N 2.89Å; E983-A986 PolarHBondContact O-N 3.4Å; A986-R989 PolarHBondContact O-N 3.47Å; A986-S990 PolarHBondContact O-N 3.12Å |
| 987 | R | 53.5 | Low | 46.5 | Very low | 172 Ų | 172 | 128 Ų | 128 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 174.4 | -70.4 | -178.8 | -172.4 | 171.6 | 5 | 112.4 | E983 E984 R989 S990 | E983-R987 PolarHBondContact O-N 2.71Å; E984-R987 PolarHBondContact O-N 2.8Å; R987-R989 PolarHBondContact O-N 2.81Å; R987-S990 PolarHBondContact O-N 2.75Å; R987-S990 PolarHBondContact O-OG 3.04Å |
| 988 | Q | 48 | Very low | 45.6 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.2 | -16.4 | 175.2 | -73.5 | 178.7 | 4.4 | 0 | 0 | 113.7 | E984 | E984-Q988 WeakPolarHBondContact O-CG 3.33Å; E984-Q988 PolarHBondContact O-N 2.78Å |
| 989 | R | 43.7 | Very low | 44.4 | Very low | 197 Ų | 197 | 130.8 Ų | 130.8 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -90.2 | -19.5 | 175.5 | -78.4 | 177.7 | 175.2 | 176.5 | -1.9 | 113.7 | R985 A986 R987 | R985-R989 WeakPolarHBondContact O-CG 3.45Å; R985-R989 PolarHBondContact O-N 3.23Å; A986-R989 PolarHBondContact O-N 3.47Å; R987-R989 PolarHBondContact O-N 2.81Å |
| 990 | S | 46.7 | Very low | 42.9 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 57% | 0.573 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -84.8 | -21.5 | 179.1 | 59.2 | 0 | 0 | 0 | 0 | 114 | A986 R987 | A986-S990 PolarHBondContact O-N 3.12Å; R987-S990 PolarHBondContact O-N 2.75Å; R987-S990 PolarHBondContact O-OG 3.04Å |
| 991 | D | 43 | Very low | 41.2 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -94.9 | 13.6 | -174 | -68.9 | -5.9 | 0 | 0 | 0 | 113.8 | ||
| 992 | A | 37.1 | Very low | 40.5 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | trans | -123.1 | 32.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 993 | D | 34.7 | Very low | 39 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | trans | -129.3 | 73.1 | 176.3 | -140 | 19.5 | 0 | 0 | 0 | 109.6 | ||||
| 994 | D | 34.6 | Very low | 37.5 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -175.2 | 105.9 | 158.9 | -93.1 | -27.6 | 0 | 0 | 0 | 108.1 | ||||
| 995 | S | 34.6 | Very low | 36 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | 155.5 | 124.9 | 142.8 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 996 | E | 29.4 | Very low | 35.1 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -65.9 | 146.9 | -172.2 | -67.6 | 174 | 140.1 | 0 | 0 | 115.6 | ||||
| 997 | T | 28.9 | Very low | 34.3 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | 54.4 | 103.5 | 143.1 | 60.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 998 | V | 30.7 | Very low | 33.4 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | -151.7 | 123.4 | 126.6 | 177.1 | 0 | 0 | 0 | 0 | 108.7 | I1000 | V998-I1000 PolarHBondContact O-N 3.03Š| |||
| 999 | D | 26.9 | Very low | 33 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -59.7 | 112 | 169 | -97.9 | -37.9 | 0 | 0 | 0 | 111.9 | ||||
| 1000 | I | 27 | Very low | 33 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -145.6 | 126.6 | 138.8 | -55.7 | -175.6 | 0 | 0 | 0 | 108.2 | V998 | V998-I1000 PolarHBondContact O-N 3.03Š| ||
| 1001 | T | 25.7 | Very low | 32.9 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | trans | -36 | 154.7 | 174.9 | 30.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1002 | P | 29 | Very low | 33 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -82.7 | 126.8 | -141.9 | 31.3 | -34.9 | 0 | 0 | 0 | 114.9 | ||||
| 1003 | Q | 25.9 | Very low | 33.5 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -101.9 | 121.9 | 157.4 | -77.4 | -164.9 | -11.6 | 0 | 0 | 110.5 | ||||
| 1004 | R | 28.8 | Very low | 34.1 | Very low | 240 Ų | 240 | 132.3 Ų | 132.3 | 91% | 0.906 | 69% | 0.687 | S | S | * | * | 170.7 | 95.6 | 123.7 | -94 | 178.7 | -174 | -167.1 | 3.4 | 109.9 | G1006 | R1004-G1006 PolarHBondContact O-N 3.37Š| |||
| 1005 | R | 26.4 | Very low | 34.8 | Very low | 242 Ų | 242 | 125.2 Ų | 125.2 | 91% | 0.913 | 65% | 0.649 | S | S | * | * | trans | -68.9 | 120.2 | 154.3 | -75.5 | -175.2 | 178.3 | -175.1 | -1.5 | 107.3 | ||||
| 1006 | G | 30.6 | Very low | 35.7 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 79% | 0.794 | 61% | 0.612 | S | S | * | * | trans | -63.8 | 131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1004 G1008 | R1004-G1006 PolarHBondContact O-N 3.37Å; G1006-G1008 PolarHBondContact O-N 3.44Å | ||
| 1007 | T | 35.9 | Very low | 36.8 | Very low | 104 Ų | 104 | 115.7 Ų | 115.7 | 64% | 0.638 | 59% | 0.588 | S | S | * | * | trans | -77.7 | 115.4 | -173.5 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | R1009 | T1007-R1009 PolarHBondContact O-N 3.09Š| ||
| 1008 | G | 34.8 | Very low | 37.6 | Very low | 27 Ų | 27 | 114.5 Ų | 114.5 | 28% | 0.278 | 58% | 0.577 | S | S | . | * | trans | -58.5 | 21.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | E862 G1006 H1010 | E862-G1008 WeakPolarHBondContact OE1-CA 3.34Å; E862-G1008 WeakPolarHBondContact OE2-CA 3.45Å; G1006-G1008 PolarHBondContact O-N 3.44Å; G1008-H1010 PolarHBondContact O-N 2.82Å; G1008-H1010 VanDerWaalsContact O-N 3.16Å | ||
| 1009 | R | 37.8 | Very low | 38.7 | Very low | 193 Ų | 193 | 110.9 Ų | 110.9 | 73% | 0.728 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 2.1 | -168.8 | -72.4 | -178.3 | 175.2 | -178.1 | -2 | 114.8 | T1007 | T1007-R1009 PolarHBondContact O-N 3.09Š|
| 1010 | H | 44.4 | Very low | 39.8 | Very low | 91 Ų | 91 | 105.1 Ų | 105.1 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -38.3 | -171.8 | -70.8 | -20.4 | 0 | 0 | 0 | 114.5 | G1008 R1013 L1014 | G1008-H1010 PolarHBondContact O-N 2.82Å; G1008-H1010 VanDerWaalsContact O-N 3.16Å; H1010-R1013 PolarHBondContact O-N 2.94Å; H1010-L1014 PolarHBondContact O-N 3.31Å; H1010-L1014 VanDerWaalsContact O-N 3.11Å |
| 1011 | H | 44.5 | Very low | 40.8 | Very low | 45 Ų | 45 | 99 Ų | 99 | 21% | 0.208 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | -179.4 | -57.1 | 109.3 | 0 | 0 | 0 | 112.1 | E862 Y885 T894 R1013 L1014 L1015 | E862-H1011 IonicContact OE1-ND1 3.31Å; E862-H1011 PolarHBondContact OE1-ND1 3.03Å; Y885-H1011 HydrophobicContact CD1-CB 4.17Å; Y885-H1011 AromaticContact CE1-CD2 3.95Å; T894-H1011 HydrophobicContact CG2-CB 4.4Å; T894-H1011 WeakPolarHBondContact OG1-CB 3.47Å; H1011-R1013 VanDerWaalsContact C-N 3.26Å; H1011-R1013 PolarHBondContact O-N 2.96Å; H1011-L1014 PolarHBondContact O-N 2.94Å; H1011-L1015 WeakPolarHBondContact O-CB 3.27Å; H1011-L1015 PolarHBondContact O-N 2.74Å |
| 1012 | A | 45.5 | Very low | 41.8 | Very low | 16 Ų | 16 | 94.2 Ų | 94.2 | 13% | 0.132 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V860 L1016 | V860-A1012 HydrophobicContact CG1-CB 3.54Å; V860-A1012 HydrophobicContact CG2-CB 4.48Å; A1012-L1016 WeakPolarHBondContact O-CB 3.43Å; A1012-L1016 WeakPolarHBondContact O-CG 3.35Å; A1012-L1016 PolarHBondContact O-N 3.33Å |
| 1013 | R | 46.5 | Very low | 42.6 | Very low | 179 Ų | 179 | 94.4 Ų | 94.4 | 68% | 0.675 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.3 | -38.9 | -179.1 | -139.8 | 179 | -166.3 | 177.2 | 3.6 | 111.9 | H1010 H1011 Y1017 | H1010-R1013 PolarHBondContact O-N 2.94Å; H1011-R1013 VanDerWaalsContact C-N 3.26Å; H1011-R1013 PolarHBondContact O-N 2.96Å; R1013-Y1017 WeakPolarHBondContact O-CB 3.46Å; R1013-Y1017 PolarHBondContact O-N 3.22Å |
| 1014 | L | 47.6 | Very low | 43.3 | Very low | 81 Ų | 81 | 94.6 Ų | 94.6 | 42% | 0.424 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 171.9 | -90.4 | 154.9 | 0 | 0 | 0 | 111.1 | H1010 H1011 L1016 Y1017 D1018 | H1010-L1014 PolarHBondContact O-N 3.31Å; H1010-L1014 VanDerWaalsContact O-N 3.11Å; H1011-L1014 PolarHBondContact O-N 2.94Å; L1014-L1016 VanDerWaalsContact C-N 3.35Å; L1014-L1016 PolarHBondContact O-N 2.9Å; L1014-Y1017 WeakPolarHBondContact O-CB 3.3Å; L1014-Y1017 PolarHBondContact O-N 3.4Å; L1014-Y1017 VanDerWaalsContact O-N 3.09Å; L1014-D1018 PolarHBondContact O-N 3.12Å |
| 1015 | L | 50.8 | Low | 43.8 | Very low | 12 Ų | 12 | 87.2 Ų | 87.2 | 6% | 0.063 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.7 | -176.3 | 73.9 | 0 | 0 | 0 | 112 | F883 Y885 L896 H1011 Y1017 D1018 L1019 | F883-L1015 HydrophobicContact CB-CD1 4.16Å; F883-L1015 HydrophobicContact CB-CD2 3.99Å; Y885-L1015 HydrophobicContact CD2-CD1 4.22Å; L896-L1015 HydrophobicContact CB-CD2 3.48Å; L896-L1015 VanDerWaalsContact CB-CD2 3.48Å; L896-L1015 HydrophobicContact CD2-CD2 3.42Å; L896-L1015 VanDerWaalsContact CD2-CD2 3.42Å; L896-L1015 HydrophobicContact CD2-CG 4.18Å; L896-L1015 HydrophobicContact CG-CD2 4.05Å; H1011-L1015 WeakPolarHBondContact O-CB 3.27Å; H1011-L1015 PolarHBondContact O-N 2.74Å; L1015-Y1017 VanDerWaalsContact C-N 3.29Å; L1015-Y1017 PolarHBondContact O-N 3.04Å; L1015-D1018 PolarHBondContact O-N 2.98Å; L1015-L1019 HydrophobicContact CG-CD1 4.17Å; L1015-L1019 WeakPolarHBondContact O-CB 3.26Å; L1015-L1019 VanDerWaalsContact O-CG 3.27Å; L1015-L1019 WeakPolarHBondContact O-CG 3.36Å; L1015-L1019 PolarHBondContact O-N 3.31Å |
| 1016 | L | 53.2 | Low | 44.7 | Very low | 21 Ų | 21 | 84.3 Ų | 84.3 | 11% | 0.11 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.1 | -29.4 | 177.1 | -69 | 172.6 | 0 | 0 | 0 | 113 | L858 L896 A1012 L1014 G1020 V1021 T1022 | L858-L1016 HydrophobicContact CD1-CD1 4.44Å; L858-L1016 HydrophobicContact CD1-CD2 3.7Å; L858-L1016 HydrophobicContact CD2-CD2 4.3Å; L896-L1016 HydrophobicContact CD2-CD2 4.35Å; A1012-L1016 WeakPolarHBondContact O-CB 3.43Å; A1012-L1016 WeakPolarHBondContact O-CG 3.35Å; A1012-L1016 PolarHBondContact O-N 3.33Å; L1014-L1016 VanDerWaalsContact C-N 3.35Å; L1014-L1016 PolarHBondContact O-N 2.9Å; L1016-G1020 PolarHBondContact O-N 3.47Å; L1016-V1021 HydrophobicContact CB-CB 4.31Å; L1016-V1021 HydrophobicContact CD2-CB 4.26Å; L1016-V1021 HydrophobicContact CD2-CG1 4.32Å; L1016-V1021 HydrophobicContact CD2-CG2 4.14Å; L1016-V1021 VanDerWaalsContact O-CB 3.3Å; L1016-V1021 WeakPolarHBondContact O-CB 3.44Å; L1016-V1021 PolarHBondContact O-N 3.45Å; L1016-T1022 HydrophobicContact CB-CG2 4.46Å; L1016-T1022 PolarHBondContact O-N 3.2Å |
| 1017 | Y | 51.2 | Low | 45.1 | Very low | 86 Ų | 86 | 85.6 Ų | 85.6 | 34% | 0.337 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.3 | -45.9 | 172.4 | 178.5 | -93.8 | 0 | 0 | 0 | 111.7 | R1013 L1014 L1015 L1019 G1020 T1022 F1024 | R1013-Y1017 WeakPolarHBondContact O-CB 3.46Å; R1013-Y1017 PolarHBondContact O-N 3.22Å; L1014-Y1017 WeakPolarHBondContact O-CB 3.3Å; L1014-Y1017 PolarHBondContact O-N 3.4Å; L1014-Y1017 VanDerWaalsContact O-N 3.09Å; L1015-Y1017 VanDerWaalsContact C-N 3.29Å; L1015-Y1017 PolarHBondContact O-N 3.04Å; Y1017-L1019 VanDerWaalsContact C-N 3.29Å; Y1017-L1019 PolarHBondContact O-N 3.35Å; Y1017-G1020 WeakPolarHBondContact O-CA 3.29Å; Y1017-G1020 PolarHBondContact O-N 2.76Å; Y1017-T1022 VanDerWaalsContact CA-OG1 3.3Å; Y1017-T1022 WeakPolarHBondContact CA-OG1 3.39Å; Y1017-F1024 HydrophobicContact CD2-CE2 4.2Å; Y1017-F1024 HydrophobicContact CE2-CD2 4.37Å; Y1017-F1024 AromaticContact CE2-CE2 3.97Å; Y1017-F1024 HydrophobicContact CE2-CE2 3.97Å |
| 1018 | D | 47 | Very low | 45.3 | Very low | 99 Ų | 99 | 89.2 Ų | 89.2 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -32.8 | 178 | -70.4 | -19.3 | 0 | 0 | 0 | 112.1 | L1014 L1015 G1020 | L1014-D1018 PolarHBondContact O-N 3.12Å; L1015-D1018 PolarHBondContact O-N 2.98Å; D1018-G1020 PolarHBondContact O-N 3.49Å |
| 1019 | L | 52.5 | Low | 45.8 | Very low | 66 Ų | 66 | 90.1 Ų | 90.1 | 35% | 0.346 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2 | 171.1 | -69.5 | 172.7 | 0 | 0 | 0 | 113.6 | F883 L896 I898 L1015 Y1017 V1021 | F883-L1019 HydrophobicContact CD2-CD1 4.35Å; F883-L1019 HydrophobicContact CE1-CD2 3.84Å; F883-L1019 HydrophobicContact CE2-CD1 4.24Å; F883-L1019 HydrophobicContact CE2-CD2 4.22Å; F883-L1019 HydrophobicContact CZ-CD1 4.47Å; F883-L1019 HydrophobicContact CZ-CD2 3.66Å; L896-L1019 HydrophobicContact CD2-CD1 3.85Å; I898-L1019 HydrophobicContact CD1-CD1 4.22Å; L1015-L1019 HydrophobicContact CG-CD1 4.17Å; L1015-L1019 WeakPolarHBondContact O-CB 3.26Å; L1015-L1019 VanDerWaalsContact O-CG 3.27Å; L1015-L1019 WeakPolarHBondContact O-CG 3.36Å; L1015-L1019 PolarHBondContact O-N 3.31Å; Y1017-L1019 VanDerWaalsContact C-N 3.29Å; Y1017-L1019 PolarHBondContact O-N 3.35Å; L1019-V1021 HydrophobicContact CB-CG2 3.82Å; L1019-V1021 PolarHBondContact O-N 3.45Å |
| 1020 | G | 50.2 | Low | 46.7 | Very low | 38 Ų | 38 | 88.9 Ų | 88.9 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 11.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1016 Y1017 D1018 | L1016-G1020 PolarHBondContact O-N 3.47Å; Y1017-G1020 WeakPolarHBondContact O-CA 3.29Å; Y1017-G1020 PolarHBondContact O-N 2.76Å; D1018-G1020 PolarHBondContact O-N 3.49Å |
| 1021 | V | 49.3 | Very low | 47.4 | Very low | 26 Ų | 26 | 88 Ų | 88 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | trans | -71.7 | -31.9 | -178.3 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | Y853 L1016 L1019 F1031 | Y853-V1021 HydrophobicContact CD1-CG1 3.44Å; Y853-V1021 VanDerWaalsContact CD1-CG1 3.44Å; Y853-V1021 HydrophobicContact CD2-CG1 4.27Å; Y853-V1021 HydrophobicContact CE1-CB 4.5Å; Y853-V1021 HydrophobicContact CE1-CG1 3.36Å; Y853-V1021 HydrophobicContact CE2-CG1 4.23Å; Y853-V1021 HydrophobicContact CG-CG1 3.9Å; Y853-V1021 PolarHBondContact OH-O 3.34Å; Y853-V1021 VanDerWaalsContact OH-O 3.05Å; L1016-V1021 HydrophobicContact CB-CB 4.31Å; L1016-V1021 HydrophobicContact CD2-CB 4.26Å; L1016-V1021 HydrophobicContact CD2-CG1 4.32Å; L1016-V1021 HydrophobicContact CD2-CG2 4.14Å; L1016-V1021 VanDerWaalsContact O-CB 3.3Å; L1016-V1021 WeakPolarHBondContact O-CB 3.44Å; L1016-V1021 PolarHBondContact O-N 3.45Å; L1019-V1021 HydrophobicContact CB-CG2 3.82Å; L1019-V1021 PolarHBondContact O-N 3.45Å; V1021-F1031 HydrophobicContact CG1-CE1 4.13Å; V1021-F1031 HydrophobicContact CG1-CZ 4.04Å | ||
| 1022 | T | 46.1 | Very low | 48.3 | Very low | 24 Ų | 24 | 91.8 Ų | 91.8 | 15% | 0.147 | 47% | 0.465 | C | S | . | . | trans | -101.1 | 94.1 | 173.6 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | L1016 Y1017 F1031 | L1016-T1022 HydrophobicContact CB-CG2 4.46Å; L1016-T1022 PolarHBondContact O-N 3.2Å; Y1017-T1022 VanDerWaalsContact CA-OG1 3.3Å; Y1017-T1022 WeakPolarHBondContact CA-OG1 3.39Å; T1022-F1031 HydrophobicContact CG2-CE2 4.04Å; T1022-F1031 HydrophobicContact CG2-CZ 3.86Å | ||
| 1023 | Q | 44.7 | Very low | 49.4 | Very low | 132 Ų | 132 | 95.5 Ų | 95.5 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | trans | -91.2 | 126.3 | 164.8 | -64 | -174.2 | 7.8 | 0 | 0 | 108.8 | T1025 | Q1023-T1025 PolarHBondContact O-N 3.25Š| ||
| 1024 | F | 41.8 | Very low | 50.6 | Low | 187 Ų | 187 | 88.8 Ų | 88.8 | 82% | 0.82 | 46% | 0.463 | S | S | * | . | trans | -79.2 | 67.5 | 170 | -63.2 | -80.1 | 0 | 0 | 0 | 109.4 | Y1017 | Y1017-F1024 HydrophobicContact CD2-CE2 4.2Å; Y1017-F1024 HydrophobicContact CE2-CD2 4.37Å; Y1017-F1024 AromaticContact CE2-CE2 3.97Å; Y1017-F1024 HydrophobicContact CE2-CE2 3.97Å | ||
| 1025 | T | 40 | Very low | 51.9 | Low | 86 Ų | 86 | 89.9 Ų | 89.9 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -103.3 | 148.7 | 159.4 | 51.4 | 0 | 0 | 0 | 0 | 107.2 | Q1023 C1027 | Q1023-T1025 PolarHBondContact O-N 3.25Å; T1025-C1027 CarbonylContact O-C 3.45Å; T1025-C1027 PolarHBondContact O-N 3.32Å |
| 1026 | D | 44 | Very low | 53.1 | Low | 180 Ų | 180 | 91.3 Ų | 91.3 | 96% | 0.963 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -60.4 | 3.9 | -170.4 | -64.9 | -41.4 | 0 | 0 | 0 | 115.3 | ||
| 1027 | C | 38.7 | Very low | 54.1 | Low | 104 Ų | 104 | 96.3 Ų | 96.3 | 70% | 0.703 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -89.6 | 97.9 | 164.2 | -60.6 | 0 | 0 | 0 | 0 | 108.5 | T1025 P1029 | T1025-C1027 CarbonylContact O-C 3.45Å; T1025-C1027 PolarHBondContact O-N 3.32Å; C1027-P1029 WeakPolarHBondContact O-CD 3.48Å; C1027-P1029 VanDerWaalsContact O-N 3.12Å |
| 1028 | E | 41.5 | Very low | 55.4 | Low | 180 Ų | 180 | 94.2 Ų | 94.2 | 84% | 0.841 | 51% | 0.508 | S | S | * | . | trans | -49.7 | 120.2 | 175.3 | -71.3 | -170.4 | 158.5 | 0 | 0 | 110.4 | Q1030 | E1028-Q1030 PolarHBondContact O-N 2.85Š| ||
| 1029 | P | 45 | Very low | 56.7 | Low | 47 Ų | 47 | 94.9 Ų | 94.9 | 31% | 0.305 | 52% | 0.52 | S | S | . | . | trans | -59.7 | 122.6 | 173.3 | 19.7 | -29.7 | 0 | 0 | 0 | 109.8 | Y853 C1027 F1031 | Y853-P1029 HydrophobicContact CD2-CB 4.43Å; Y853-P1029 HydrophobicContact CE2-CB 3.63Å; C1027-P1029 WeakPolarHBondContact O-CD 3.48Å; C1027-P1029 VanDerWaalsContact O-N 3.12Å; P1029-F1031 VanDerWaalsContact C-N 3.29Å; P1029-F1031 HydrophobicContact CB-CD2 3.91Å; P1029-F1031 HydrophobicContact CB-CE2 3.54Å; P1029-F1031 HydrophobicContact CB-CZ 4.32Å; P1029-F1031 HydrophobicContact CG-CD2 4.01Å; P1029-F1031 HydrophobicContact CG-CE2 3.53Å; P1029-F1031 WeakPolarHBondContact O-CD2 3.26Å; P1029-F1031 PolarHBondContact O-N 3.31Å | ||
| 1030 | Q | 55.4 | Low | 57.8 | Low | 167 Ų | 167 | 98.1 Ų | 98.1 | 78% | 0.78 | 53% | 0.534 | S | S | * | . | trans | -71.6 | 81.9 | 177.7 | -73.5 | -178.1 | -5.5 | 0 | 0 | 110.2 | E1028 | E1028-Q1030 PolarHBondContact O-N 2.85Š| ||
| 1031 | F | 60 | Low | 59.1 | Low | 73 Ų | 73 | 97.7 Ų | 97.7 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118.5 | 166.4 | -69.3 | -79.5 | 0 | 0 | 0 | 109.1 | V851 Y853 V1021 T1022 P1029 | V851-F1031 HydrophobicContact CG1-CB 4.11Å; V851-F1031 HydrophobicContact CG1-CD1 3.77Å; V851-F1031 HydrophobicContact CG1-CG 4.41Å; Y853-F1031 AromaticContact CD2-CD1 3.68Å; Y853-F1031 HydrophobicContact CD2-CD1 3.68Å; Y853-F1031 HydrophobicContact CD2-CD2 4.45Å; Y853-F1031 AromaticContact CD2-CE1 3.33Å; Y853-F1031 HydrophobicContact CD2-CE1 3.33Å; Y853-F1031 HydrophobicContact CD2-CE2 4.18Å; Y853-F1031 HydrophobicContact CD2-CG 4.23Å; Y853-F1031 AromaticContact CD2-CZ 3.61Å; Y853-F1031 HydrophobicContact CD2-CZ 3.61Å; Y853-F1031 HydrophobicContact CE2-CE1 4.07Å; Y853-F1031 HydrophobicContact CE2-CE2 4.27Å; Y853-F1031 AromaticContact CE2-CZ 3.86Å; Y853-F1031 HydrophobicContact CE2-CZ 3.86Å; Y853-F1031 HydrophobicContact CG-CD1 4.15Å; Y853-F1031 AromaticContact CG-CE1 3.71Å; Y853-F1031 HydrophobicContact CG-CE1 3.71Å; Y853-F1031 HydrophobicContact CG-CZ 4.3Å; V1021-F1031 HydrophobicContact CG1-CE1 4.13Å; V1021-F1031 HydrophobicContact CG1-CZ 4.04Å; T1022-F1031 HydrophobicContact CG2-CE2 4.04Å; T1022-F1031 HydrophobicContact CG2-CZ 3.86Å; P1029-F1031 VanDerWaalsContact C-N 3.29Å; P1029-F1031 HydrophobicContact CB-CD2 3.91Å; P1029-F1031 HydrophobicContact CB-CE2 3.54Å; P1029-F1031 HydrophobicContact CB-CZ 4.32Å; P1029-F1031 HydrophobicContact CG-CD2 4.01Å; P1029-F1031 HydrophobicContact CG-CE2 3.53Å; P1029-F1031 WeakPolarHBondContact O-CD2 3.26Å; P1029-F1031 PolarHBondContact O-N 3.31Å |
| 1032 | Q | 62.4 | Low | 60.1 | Low | 123 Ų | 123 | 100.5 Ų | 100.5 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.2 | 173.5 | -173.8 | 174.6 | 6.7 | 0 | 0 | 109 | L852 L1034 | L852-Q1032 HydrophobicContact CB-CB 4.34Å; L852-Q1032 PolarHBondContact N-O 2.79Å; L852-Q1032 PolarHBondContact O-N 2.84Å; Q1032-L1034 PolarHBondContact O-N 3.02Å |
| 1033 | V | 68.4 | Low | 61.3 | Low | 94 Ų | 94 | 102.4 Ų | 102.4 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.5 | 125.9 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 108 | L849 V851 | L849-V1033 HydrophobicContact CD1-CG1 3.83Å; V851-V1033 HydrophobicContact CG2-CG2 4.5Å |
| 1034 | L | 72.6 | Confident | 62.6 | Low | 38 Ų | 38 | 101.8 Ų | 101.8 | 20% | 0.199 | 56% | 0.557 | C | S | . | * | trans | -84.6 | 139.7 | 177.7 | -60.7 | 175.6 | 0 | 0 | 0 | 109.3 | Y850 L852 I857 Q1032 S1036 F1041 | Y850-L1034 PolarHBondContact O-N 3.47Å; L852-L1034 HydrophobicContact CB-CD1 4.22Å; L852-L1034 HydrophobicContact CB-CD2 4Å; L852-L1034 HydrophobicContact CB-CG 4.08Å; L852-L1034 HydrophobicContact CD2-CD2 4.5Å; I857-L1034 HydrophobicContact CD1-CD1 4.23Å; I857-L1034 HydrophobicContact CG1-CD1 4.19Å; I857-L1034 HydrophobicContact CG2-CD1 4.03Å; Q1032-L1034 PolarHBondContact O-N 3.02Å; L1034-S1036 PolarHBondContact O-N 3.34Å; L1034-F1041 HydrophobicContact CB-CE2 3.85Å; L1034-F1041 HydrophobicContact CB-CZ 4.39Å; L1034-F1041 HydrophobicContact CD1-CE2 4.14Å | ||
| 1035 | D | 75.4 | Confident | 63.9 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | trans | -75.4 | 88.5 | 179.1 | -174.8 | 6.9 | 0 | 0 | 0 | 110.6 | D1037 A1038 | D1035-D1037 PolarHBondContact O-N 3.13Å; D1035-D1037 PolarHBondContact OD1-N 3.13Å; D1035-A1038 HydrophobicContact CB-CB 4.48Å; D1035-A1038 WeakPolarHBondContact O-CB 3.39Å; D1035-A1038 PolarHBondContact O-N 3.21Å | ||
| 1036 | S | 75.4 | Confident | 65.3 | Low | 43 Ų | 43 | 91.9 Ų | 91.9 | 30% | 0.301 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.1 | 178.7 | 59.9 | 0 | 0 | 0 | 0 | 114 | L1034 | L1034-S1036 PolarHBondContact O-N 3.34Š|
| 1037 | D | 74 | Confident | 66.4 | Low | 125 Ų | 125 | 84.6 Ų | 84.6 | 67% | 0.668 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -9.8 | 178.5 | -67.7 | -38.2 | 0 | 0 | 0 | 111.8 | K847 D1035 S1039 | K847-D1037 IonicContact NZ-OD1 3.97Å; D1035-D1037 PolarHBondContact O-N 3.13Å; D1035-D1037 PolarHBondContact OD1-N 3.13Å; D1037-S1039 PolarHBondContact O-N 3.46Å |
| 1038 | A | 78.4 | Confident | 67.7 | Low | 42 Ų | 42 | 82.9 Ų | 82.9 | 35% | 0.347 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -63.9 | 131.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1035 E1040 F1041 | D1035-A1038 HydrophobicContact CB-CB 4.48Å; D1035-A1038 WeakPolarHBondContact O-CB 3.39Å; D1035-A1038 PolarHBondContact O-N 3.21Å; A1038-E1040 PolarHBondContact O-N 3.47Å; A1038-E1040 VanDerWaalsContact O-N 3.1Å; A1038-F1041 HydrophobicContact CB-CB 4.24Å; A1038-F1041 VanDerWaalsContact O-CB 3.31Å; A1038-F1041 WeakPolarHBondContact O-CB 3.4Å; A1038-F1041 PolarHBondContact O-N 3.28Å |
| 1039 | S | 75.5 | Confident | 68.8 | Low | 113 Ų | 113 | 75.5 Ų | 75.5 | 79% | 0.79 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.1 | -175.2 | 54.2 | 0 | 0 | 0 | 0 | 114 | D1037 | D1037-S1039 PolarHBondContact O-N 3.46Š|
| 1040 | E | 75.4 | Confident | 69.9 | Low | 134 Ų | 134 | 75.1 Ų | 75.1 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18.2 | 179.9 | -62.3 | 179.9 | 179.1 | 0 | 0 | 112.8 | A1038 S1042 A1043 E1044 | A1038-E1040 PolarHBondContact O-N 3.47Å; A1038-E1040 VanDerWaalsContact O-N 3.1Å; E1040-S1042 PolarHBondContact O-N 3.16Å; E1040-A1043 PolarHBondContact O-N 3.08Å; E1040-A1043 VanDerWaalsContact O-N 3.08Å; E1040-E1044 PolarHBondContact O-N 3.4Å |
| 1041 | F | 77 | Confident | 70.3 | Confident | 29 Ų | 29 | 70.6 Ų | 70.6 | 13% | 0.127 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.1 | -45.1 | -172.6 | 179.1 | -97.2 | 0 | 0 | 0 | 112.6 | Y850 L1034 A1038 A1043 E1044 L1045 | Y850-F1041 HydrophobicContact CD1-CE1 4.09Å; Y850-F1041 AromaticContact CD1-CZ 3.79Å; Y850-F1041 HydrophobicContact CD1-CZ 3.79Å; Y850-F1041 AromaticContact CD2-CE1 3.72Å; Y850-F1041 HydrophobicContact CD2-CE1 3.72Å; Y850-F1041 AromaticContact CD2-CZ 3.9Å; Y850-F1041 HydrophobicContact CD2-CZ 3.9Å; Y850-F1041 HydrophobicContact CE1-CE1 4.16Å; Y850-F1041 HydrophobicContact CE1-CZ 4.27Å; Y850-F1041 AromaticContact CE2-CE1 3.79Å; Y850-F1041 HydrophobicContact CE2-CE1 3.79Å; Y850-F1041 HydrophobicContact CE2-CZ 4.36Å; Y850-F1041 AromaticContact CG-CE1 3.87Å; Y850-F1041 HydrophobicContact CG-CE1 3.87Å; Y850-F1041 AromaticContact CG-CZ 3.58Å; Y850-F1041 HydrophobicContact CG-CZ 3.58Å; L1034-F1041 HydrophobicContact CB-CE2 3.85Å; L1034-F1041 HydrophobicContact CB-CZ 4.39Å; L1034-F1041 HydrophobicContact CD1-CE2 4.14Å; A1038-F1041 HydrophobicContact CB-CB 4.24Å; A1038-F1041 VanDerWaalsContact O-CB 3.31Å; A1038-F1041 WeakPolarHBondContact O-CB 3.4Å; A1038-F1041 PolarHBondContact O-N 3.28Å; F1041-A1043 VanDerWaalsContact C-N 3.32Å; F1041-A1043 PolarHBondContact O-N 2.89Å; F1041-E1044 PolarHBondContact O-N 3.49Å; F1041-L1045 HydrophobicContact CE1-CD2 4Å; F1041-L1045 HydrophobicContact CZ-CD2 4.42Å; F1041-L1045 VanDerWaalsContact O-CB 3.3Å; F1041-L1045 WeakPolarHBondContact O-CB 3.46Å; F1041-L1045 PolarHBondContact O-N 3.17Å |
| 1042 | S | 70.8 | Confident | 70.5 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.7 | -39.1 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | E1040 A1046 | E1040-S1042 PolarHBondContact O-N 3.16Å; S1042-A1046 WeakPolarHBondContact O-CB 3.42Å; S1042-A1046 PolarHBondContact O-N 3.01Å |
| 1043 | A | 70.3 | Confident | 70.3 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1040 F1041 A1047 | E1040-A1043 PolarHBondContact O-N 3.08Å; E1040-A1043 VanDerWaalsContact O-N 3.08Å; F1041-A1043 VanDerWaalsContact C-N 3.32Å; F1041-A1043 PolarHBondContact O-N 2.89Å; A1043-A1047 VanDerWaalsContact O-CB 3.29Å; A1043-A1047 WeakPolarHBondContact O-CB 3.48Å; A1043-A1047 PolarHBondContact O-N 3.44Å |
| 1044 | E | 72.1 | Confident | 70.3 | Confident | 119 Ų | 119 | 63 Ų | 63 | 56% | 0.556 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 174.1 | -69.5 | -169.9 | 156.2 | 0 | 0 | 112.2 | E1040 F1041 A1047 L1048 | E1040-E1044 PolarHBondContact O-N 3.4Å; F1041-E1044 PolarHBondContact O-N 3.49Å; E1044-A1047 WeakPolarHBondContact O-CB 3.44Å; E1044-A1047 PolarHBondContact O-N 3.18Å; E1044-L1048 WeakPolarHBondContact O-CB 3.43Å; E1044-L1048 PolarHBondContact O-N 3.11Å |
| 1045 | L | 70.1 | Confident | 70.2 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 175.9 | -172.5 | 64.5 | 0 | 0 | 0 | 111 | Y850 F1041 A1047 L1048 D1049 | Y850-L1045 HydrophobicContact CD1-CD2 4.4Å; Y850-L1045 HydrophobicContact CE1-CD2 3.56Å; F1041-L1045 HydrophobicContact CE1-CD2 4Å; F1041-L1045 HydrophobicContact CZ-CD2 4.42Å; F1041-L1045 VanDerWaalsContact O-CB 3.3Å; F1041-L1045 WeakPolarHBondContact O-CB 3.46Å; F1041-L1045 PolarHBondContact O-N 3.17Å; L1045-A1047 VanDerWaalsContact C-N 3.29Å; L1045-A1047 PolarHBondContact O-N 2.99Å; L1045-L1048 HydrophobicContact CD1-CD2 4.41Å; L1045-L1048 WeakPolarHBondContact O-CB 3.35Å; L1045-L1048 PolarHBondContact O-N 3.49Å; L1045-L1048 VanDerWaalsContact O-N 3.1Å; L1045-D1049 PolarHBondContact O-N 3.33Å |
| 1046 | A | 68.9 | Low | 70.4 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1042 L1048 R1050 | S1042-A1046 WeakPolarHBondContact O-CB 3.42Å; S1042-A1046 PolarHBondContact O-N 3.01Å; A1046-L1048 VanDerWaalsContact C-N 3.33Å; A1046-R1050 WeakPolarHBondContact O-CG 3.41Å; A1046-R1050 PolarHBondContact O-N 3.13Å |
| 1047 | A | 66.7 | Low | 71 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 22% | 0.223 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.9 | -32 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1043 E1044 L1045 P1174 | A1043-A1047 VanDerWaalsContact O-CB 3.29Å; A1043-A1047 WeakPolarHBondContact O-CB 3.48Å; A1043-A1047 PolarHBondContact O-N 3.44Å; E1044-A1047 WeakPolarHBondContact O-CB 3.44Å; E1044-A1047 PolarHBondContact O-N 3.18Å; L1045-A1047 VanDerWaalsContact C-N 3.29Å; L1045-A1047 PolarHBondContact O-N 2.99Å; A1047-P1174 HydrophobicContact CB-CB 4.24Å; A1047-P1174 WeakPolarHBondContact O-CG 3.47Å |
| 1048 | L | 66.7 | Low | 71.8 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71 | -44.9 | 174.3 | -175.3 | 73 | 0 | 0 | 0 | 111.6 | I857 E1044 L1045 A1046 R1050 L1051 | I857-L1048 HydrophobicContact CD1-CD2 3.56Å; E1044-L1048 WeakPolarHBondContact O-CB 3.43Å; E1044-L1048 PolarHBondContact O-N 3.11Å; L1045-L1048 HydrophobicContact CD1-CD2 4.41Å; L1045-L1048 WeakPolarHBondContact O-CB 3.35Å; L1045-L1048 PolarHBondContact O-N 3.49Å; L1045-L1048 VanDerWaalsContact O-N 3.1Å; A1046-L1048 VanDerWaalsContact C-N 3.33Å; L1048-R1050 PolarHBondContact O-N 3.35Å; L1048-L1051 HydrophobicContact CD1-CD1 3.76Å; L1048-L1051 VanDerWaalsContact O-CB 3.25Å; L1048-L1051 WeakPolarHBondContact O-CB 3.34Å; L1048-L1051 WeakPolarHBondContact O-CG 3.33Å; L1048-L1051 PolarHBondContact O-N 3.12Å |
| 1049 | D | 64.9 | Low | 72.6 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -22.3 | 179.5 | -71.5 | -17.5 | 0 | 0 | 0 | 112 | R899 L1045 L1051 | R899-D1049 IonicContact CZ-OD1 2.79Å; R899-D1049 IonicContact CZ-OD2 3.46Å; R899-D1049 IonicContact NE-OD1 3.41Å; R899-D1049 PolarHBondContact NE-OD1 3.17Å; R899-D1049 IonicContact NE-OD2 2.99Å; R899-D1049 PolarHBondContact NE-OD2 3.44Å; R899-D1049 IonicContact NH2-OD1 2.9Å; R899-D1049 IonicContact NH2-OD2 2.78Å; R899-D1049 PolarHBondContact NH2-OD2 3.43Å; L1045-D1049 PolarHBondContact O-N 3.33Å; D1049-L1051 VanDerWaalsContact C-N 3.27Å; D1049-L1051 PolarHBondContact O-N 3.47Å |
| 1050 | R | 68.3 | Low | 73.6 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 14% | 0.143 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0 | 171.4 | -72.8 | 173.8 | 67.1 | -160.7 | -0.2 | 114.6 | A1046 L1048 W1111 P1174 | A1046-R1050 WeakPolarHBondContact O-CG 3.41Å; A1046-R1050 PolarHBondContact O-N 3.13Å; L1048-R1050 PolarHBondContact O-N 3.35Å; R1050-W1111 PolarHBondContact NH2-O 2.98Å; R1050-P1174 HydrophobicContact CB-CG 4.21Å |
| 1051 | L | 63.9 | Low | 74.6 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -78.1 | 123.2 | 176 | -67.2 | 179.9 | 0 | 0 | 0 | 110.2 | L1048 D1049 S1053 P1174 | L1048-L1051 HydrophobicContact CD1-CD1 3.76Å; L1048-L1051 VanDerWaalsContact O-CB 3.25Å; L1048-L1051 WeakPolarHBondContact O-CB 3.34Å; L1048-L1051 WeakPolarHBondContact O-CG 3.33Å; L1048-L1051 PolarHBondContact O-N 3.12Å; D1049-L1051 VanDerWaalsContact C-N 3.27Å; D1049-L1051 PolarHBondContact O-N 3.47Å; L1051-S1053 PolarHBondContact O-N 2.87Å; L1051-P1174 HydrophobicContact CD2-CB 4.45Å |
| 1052 | P | 63.8 | Low | 75.5 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | trans | -68.6 | 136.1 | -178.8 | 30.7 | -37.6 | 0 | 0 | 0 | 111.1 | R1054 V1056 W1111 Y1115 | P1052-R1054 WeakPolarHBondContact CB-O 3.29Å; P1052-V1056 HydrophobicContact CB-CG1 3.87Å; P1052-V1056 HydrophobicContact CG-CG1 4.32Å; P1052-W1111 HydrophobicContact CG-CH2 4Å; P1052-Y1115 HydrophobicContact CB-CE1 4.5Å; P1052-Y1115 HydrophobicContact CB-CE2 3.69Å; P1052-Y1115 VanDerWaalsContact CB-OH 3.3Å; P1052-Y1115 WeakPolarHBondContact CB-OH 3.36Å; P1052-Y1115 HydrophobicContact CG-CE2 4.41Å | ||
| 1053 | S | 58.9 | Low | 76.7 | Confident | 43 Ų | 43 | 37.8 Ų | 37.8 | 30% | 0.301 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -79.3 | -22.8 | 172.9 | 63.9 | 0 | 0 | 0 | 0 | 112.7 | L1051 | L1051-S1053 PolarHBondContact O-N 2.87Š|
| 1054 | R | 67.1 | Low | 77.9 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -111.9 | 164.8 | 176.6 | -69.3 | 179.3 | -70.6 | -112.4 | 0.4 | 110.8 | P1052 E1151 | P1052-R1054 WeakPolarHBondContact CB-O 3.29Å; R1054-E1151 HydrophobicContact CB-CG 3.93Å; R1054-E1151 IonicContact CZ-OE1 3.68Å; R1054-E1151 IonicContact NE-OE1 2.65Å; R1054-E1151 PolarHBondContact NE-OE1 2.01Å; R1054-E1151 IonicContact NH2-OE1 2.75Å; R1054-E1151 PolarHBondContact NH2-OE1 3.34Å |
| 1055 | H | 71.4 | Confident | 79 | Confident | 84 Ų | 84 | 31.4 Ų | 31.4 | 39% | 0.389 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 142 | 171.4 | -64.8 | -53.6 | 0 | 0 | 0 | 110.3 | S1149 V1150 E1151 R1311 | H1055-S1149 WeakPolarHBondContact CB-O 3.5Å; H1055-S1149 PolarHBondContact CD2-O 3.21Å; H1055-S1149 PolarHBondContact N-O 3.24Å; H1055-V1150 HydrophobicContact CB-CB 4.5Å; H1055-V1150 HydrophobicContact CB-CG1 4.41Å; H1055-V1150 HydrophobicContact CB-CG2 4.16Å; H1055-V1150 CarbonylContact O-C 3.6Å; H1055-V1150 VanDerWaalsContact O-CA 3.26Å; H1055-V1150 WeakPolarHBondContact O-CA 3.13Å; H1055-E1151 PolarHBondContact O-N 3.48Å; H1055-R1311 PolarHBondContact CE1-NH1 3.24Å; H1055-R1311 PolarHBondContact NE2-NH1 3.49Å |
| 1056 | V | 79.5 | Confident | 79.8 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.8 | 178.4 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | P1052 W1107 Y1115 E1151 | P1052-V1056 HydrophobicContact CB-CG1 3.87Å; P1052-V1056 HydrophobicContact CG-CG1 4.32Å; V1056-W1107 HydrophobicContact CB-CB 4.26Å; V1056-W1107 HydrophobicContact CB-CD2 3.58Å; V1056-W1107 HydrophobicContact CB-CE3 4.09Å; V1056-W1107 HydrophobicContact CB-CG 3.64Å; V1056-W1107 HydrophobicContact CG1-CB 3.75Å; V1056-W1107 HydrophobicContact CG1-CD2 3.75Å; V1056-W1107 HydrophobicContact CG1-CE3 3.95Å; V1056-W1107 HydrophobicContact CG1-CG 3.65Å; V1056-W1107 HydrophobicContact CG2-CD2 4.07Å; V1056-W1107 HydrophobicContact CG2-CE3 4.2Å; V1056-W1107 HydrophobicContact CG2-CH2 4.46Å; V1056-W1107 HydrophobicContact CG2-CZ2 4.3Å; V1056-W1107 HydrophobicContact CG2-CZ3 4.4Å; V1056-Y1115 HydrophobicContact CG1-CE2 4.44Å; V1056-Y1115 WeakPolarHBondContact CG1-OH 3.42Å; V1056-E1151 CarbonylContact C-O 3.54Å; V1056-E1151 WeakPolarHBondContact CA-O 3.46Å |
| 1057 | S | 87.6 | Confident | 80.6 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.3 | 173.5 | -167.5 | 0 | 0 | 0 | 0 | 109.8 | W1107 E1151 M1152 A1153 | S1057-W1107 PolarHBondContact O-NE1 2.91Å; S1057-E1151 PolarHBondContact N-O 2.8Å; S1057-M1152 WeakPolarHBondContact O-CA 3.43Å; S1057-A1153 PolarHBondContact O-N 2.84Å |
| 1058 | T | 91.3 | Very high | 81.7 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.4 | 176.8 | -49.9 | 0 | 0 | 0 | 0 | 109.5 | W1107 G1109 A1153 L1155 T1241 | T1058-W1107 WeakPolarHBondContact OG1-CZ2 3.43Å; T1058-W1107 PolarHBondContact OG1-NE1 2.83Å; T1058-G1109 WeakPolarHBondContact OG1-CA 3.35Å; T1058-G1109 PolarHBondContact OG1-O 2.78Å; T1058-A1153 WeakPolarHBondContact CA-O 2.98Å; T1058-L1155 HydrophobicContact CG2-CD1 3.92Å; T1058-L1155 HydrophobicContact CG2-CG 4.09Å; T1058-T1241 HydrophobicContact CG2-CG2 4.28Å |
| 1059 | V | 94.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.4 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | I1061 A1153 F1154 L1155 F1216 V1218 V1303 | V1059-I1061 HydrophobicContact CG1-CG1 4.38Å; V1059-A1153 PolarHBondContact N-O 3.49Å; V1059-F1154 HydrophobicContact CB-CD1 3.56Å; V1059-F1154 HydrophobicContact CB-CE1 3.92Å; V1059-F1154 HydrophobicContact CB-CG 4.41Å; V1059-F1154 HydrophobicContact CG1-CD1 3.88Å; V1059-F1154 HydrophobicContact CG1-CE1 4.23Å; V1059-F1154 HydrophobicContact CG2-CD1 3.96Å; V1059-F1154 HydrophobicContact CG2-CE1 3.77Å; V1059-F1154 WeakPolarHBondContact O-CA 3.44Å; V1059-L1155 PolarHBondContact O-N 3.08Å; V1059-F1216 HydrophobicContact CG1-CD1 4.2Å; V1059-V1218 HydrophobicContact CG1-CG2 3.7Å; V1059-V1303 HydrophobicContact CG2-CB 4.24Å; V1059-V1303 HydrophobicContact CG2-CG1 3.6Å; V1059-V1303 HydrophobicContact CG2-CG2 3.63Å |
| 1060 | H | 95.5 | Very high | 84.1 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.4 | 178.9 | -55.9 | 81 | 0 | 0 | 0 | 109.5 | F1062 L1155 P1157 F1216 L1217 V1218 T1239 | H1060-F1062 HydrophobicContact CB-CE2 4.29Å; H1060-L1155 CarbonylContact C-O 3.46Å; H1060-L1155 WeakPolarHBondContact CA-O 3.33Å; H1060-P1157 HydrophobicContact CB-CG 4.21Å; H1060-F1216 PolarHBondContact N-O 2.95Å; H1060-L1217 HydrophobicContact CB-CD2 3.77Å; H1060-L1217 CarbonylContact O-C 3.44Å; H1060-L1217 VanDerWaalsContact O-CA 3.32Å; H1060-L1217 WeakPolarHBondContact O-CA 3.19Å; H1060-V1218 PolarHBondContact O-N 3.44Å; H1060-T1239 HydrophobicContact CB-CG2 3.82Å; H1060-T1239 VanDerWaalsContact CD2-CB 3.48Å; H1060-T1239 WeakPolarHBondContact CD2-CB 3.39Å; H1060-T1239 WeakPolarHBondContact NE2-CA 3.27Å |
| 1061 | I | 97 | Very high | 85.2 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.2 | -173.9 | -51.3 | -177.9 | 0 | 0 | 0 | 109.2 | V1059 F1088 L1092 L1095 F1154 L1155 L1156 V1218 | V1059-I1061 HydrophobicContact CG1-CG1 4.38Å; I1061-F1088 HydrophobicContact CG2-CE2 3.88Å; I1061-F1088 HydrophobicContact CG2-CZ 4.05Å; I1061-L1092 HydrophobicContact CD1-CD2 3.9Å; I1061-L1092 HydrophobicContact CG2-CD2 4.41Å; I1061-L1095 HydrophobicContact CD1-CD1 3.32Å; I1061-F1154 HydrophobicContact CD1-CB 3.96Å; I1061-F1154 HydrophobicContact CD1-CD1 4.26Å; I1061-L1155 PolarHBondContact N-O 2.97Å; I1061-L1156 HydrophobicContact CB-CD1 4.06Å; I1061-L1156 HydrophobicContact CB-CG 4.16Å; I1061-L1156 HydrophobicContact CD1-CD1 4.29Å; I1061-V1218 CarbonylContact C-O 3.32Å; I1061-V1218 VanDerWaalsContact CA-O 3.26Å; I1061-V1218 WeakPolarHBondContact CA-O 3.47Å; I1061-V1218 HydrophobicContact CG1-CB 4.25Å; I1061-V1218 HydrophobicContact CG2-CB 4.46Å |
| 1062 | F | 96.5 | Very high | 86.4 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.7 | 175.2 | -63.3 | -76.5 | 0 | 0 | 0 | 110.2 | H1060 I1074 L1075 P1157 L1217 V1218 V1219 W1220 L1235 T1239 | H1060-F1062 HydrophobicContact CB-CE2 4.29Å; F1062-I1074 HydrophobicContact CB-CG2 4.19Å; F1062-I1074 HydrophobicContact CD1-CG2 4.2Å; F1062-L1075 HydrophobicContact CE1-CD2 3.94Å; F1062-P1157 HydrophobicContact CE1-CB 3.86Å; F1062-P1157 HydrophobicContact CE1-CG 3.8Å; F1062-P1157 HydrophobicContact CZ-CB 4.25Å; F1062-P1157 HydrophobicContact CZ-CG 3.8Å; F1062-L1217 HydrophobicContact CE2-CD2 4.04Å; F1062-V1218 PolarHBondContact N-O 3.18Å; F1062-V1219 HydrophobicContact CB-CG1 4.46Å; F1062-V1219 HydrophobicContact CD2-CG2 4.43Å; F1062-W1220 PolarHBondContact O-N 2.98Å; F1062-L1235 HydrophobicContact CD1-CD2 3.91Å; F1062-L1235 HydrophobicContact CE1-CB 4.26Å; F1062-L1235 HydrophobicContact CE1-CD2 3.74Å; F1062-L1235 HydrophobicContact CE1-CG 4.46Å; F1062-L1235 HydrophobicContact CE2-CB 4.2Å; F1062-L1235 HydrophobicContact CG-CD1 4.41Å; F1062-L1235 HydrophobicContact CZ-CB 3.93Å; F1062-L1235 HydrophobicContact CZ-CD2 4.28Å; F1062-T1239 HydrophobicContact CE2-CG2 4.02Å; F1062-T1239 HydrophobicContact CZ-CG2 3.73Å |
| 1063 | Y | 96.5 | Very high | 87.8 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.1 | 172.6 | -172 | -92.7 | 0 | 0 | 0 | 109 | K1065 N1077 T1084 D1085 F1088 W1220 E1222 | Y1063-K1065 HydrophobicContact CD1-CG 4.09Å; Y1063-K1065 HydrophobicContact CE1-CG 3.69Å; Y1063-N1077 HydrophobicContact CD1-CB 4.13Å; Y1063-N1077 PolarHBondContact O-ND2 2.86Å; Y1063-T1084 HydrophobicContact CD1-CG2 3.69Å; Y1063-T1084 HydrophobicContact CD2-CG2 4.34Å; Y1063-T1084 HydrophobicContact CE1-CG2 3.8Å; Y1063-T1084 HydrophobicContact CE2-CG2 4.46Å; Y1063-T1084 HydrophobicContact CG-CG2 3.95Å; Y1063-D1085 HydrophobicContact CE2-CB 4.48Å; Y1063-D1085 VanDerWaalsContact OH-CB 3.28Å; Y1063-D1085 WeakPolarHBondContact OH-CB 3.4Å; Y1063-D1085 PolarHBondContact OH-N 3.33Å; Y1063-F1088 HydrophobicContact CD2-CB 4.11Å; Y1063-F1088 AromaticContact CD2-CD1 3.64Å; Y1063-F1088 HydrophobicContact CD2-CD1 3.64Å; Y1063-F1088 AromaticContact CD2-CD2 3.73Å; Y1063-F1088 HydrophobicContact CD2-CD2 3.73Å; Y1063-F1088 AromaticContact CD2-CE1 3.85Å; Y1063-F1088 HydrophobicContact CD2-CE1 3.85Å; Y1063-F1088 AromaticContact CD2-CE2 3.95Å; Y1063-F1088 HydrophobicContact CD2-CE2 3.95Å; Y1063-F1088 AromaticContact CD2-CG 3.54Å; Y1063-F1088 HydrophobicContact CD2-CG 3.54Å; Y1063-F1088 HydrophobicContact CD2-CZ 4Å; Y1063-F1088 HydrophobicContact CE2-CB 3.75Å; Y1063-F1088 HydrophobicContact CE2-CD1 4.01Å; Y1063-F1088 HydrophobicContact CE2-CD2 4.2Å; Y1063-F1088 AromaticContact CE2-CG 3.73Å; Y1063-F1088 HydrophobicContact CE2-CG 3.73Å; Y1063-F1088 HydrophobicContact CG-CD1 4.4Å; Y1063-F1088 HydrophobicContact CG-CE1 4.27Å; Y1063-F1088 HydrophobicContact CG-CZ 4.45Å; Y1063-W1220 HydrophobicContact CD2-CB 3.96Å; Y1063-W1220 AromaticContact CD2-CD1 3.53Å; Y1063-W1220 AromaticContact CD2-CG 3.82Å; Y1063-W1220 HydrophobicContact CD2-CG 3.82Å; Y1063-W1220 AromaticContact CE2-CD1 3.27Å; Y1063-W1220 AromaticContact CE2-CG 3.94Å; Y1063-W1220 HydrophobicContact CE2-CG 3.94Å; Y1063-W1220 AromaticContact CE2-NE1 3.59Å; Y1063-E1222 PolarHBondContact OH-OE1 3.4Å |
| 1064 | V | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 108.7 | -176.7 | -175 | 0 | 0 | 0 | 0 | 108.4 | Q1068 I1074 V1219 W1220 V1221 E1222 V1230 | V1064-Q1068 HydrophobicContact CG1-CB 4Å; V1064-I1074 HydrophobicContact CG1-CD1 4.27Å; V1064-I1074 HydrophobicContact CG1-CG1 4.32Å; V1064-I1074 HydrophobicContact CG2-CD1 4.03Å; V1064-I1074 HydrophobicContact CG2-CG1 4.18Å; V1064-I1074 HydrophobicContact CG2-CG2 4.14Å; V1064-V1219 HydrophobicContact CG2-CG1 3.74Å; V1064-W1220 PolarHBondContact N-O 2.94Å; V1064-V1221 HydrophobicContact CB-CG1 4.2Å; V1064-V1221 HydrophobicContact CB-CG2 4.38Å; V1064-V1221 HydrophobicContact CG1-CG1 4.29Å; V1064-E1222 PolarHBondContact O-N 2.83Å; V1064-E1222 VanDerWaalsContact O-N 3.13Å; V1064-V1230 HydrophobicContact CG1-CG2 4.36Å; V1064-V1230 HydrophobicContact CG2-CG1 4.39Å; V1064-V1230 HydrophobicContact CG2-CG2 4.3Å |
| 1065 | K | 93.7 | Very high | 90.6 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | trans | -69.8 | 157.4 | 174.2 | -65.2 | 177.9 | 175.9 | -177.9 | 0 | 110.2 | Y1063 G1067 Q1068 N1077 E1083 E1222 | Y1063-K1065 HydrophobicContact CD1-CG 4.09Å; Y1063-K1065 HydrophobicContact CE1-CG 3.69Å; K1065-G1067 PolarHBondContact O-N 2.9Å; K1065-G1067 VanDerWaalsContact O-N 3.15Å; K1065-Q1068 HydrophobicContact CB-CG 3.98Å; K1065-Q1068 VanDerWaalsContact O-CB 3.31Å; K1065-Q1068 WeakPolarHBondContact O-CB 3.46Å; K1065-Q1068 WeakPolarHBondContact O-CG 3.23Å; K1065-Q1068 PolarHBondContact O-N 2.81Å; K1065-N1077 WeakPolarHBondContact CE-OD1 3.41Å; K1065-E1083 IonicContact NZ-OE2 2.97Å; K1065-E1222 WeakPolarHBondContact CA-OE2 3.41Å | ||
| 1066 | K | 87.8 | Confident | 91.6 | Very high | 104 Ų | 104 | 33.1 Ų | 33.1 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | 114 | 177.4 | -173.6 | 165.6 | -177.2 | 162.1 | 0 | 112.8 | D506 E1222 R1223 | D506-K1066 IonicContact OD1-NZ 3.92Å; D506-K1066 PolarHBondContact OD1-NZ 3.09Å; D506-K1066 WeakPolarHBondContact OD2-CE 3.39Å; D506-K1066 IonicContact OD2-NZ 3.97Å; D506-K1066 PolarHBondContact OD2-NZ 2.96Å; K1066-E1222 HydrophobicContact CB-CB 4.37Å; K1066-E1222 VanDerWaalsContact CB-OE2 3.23Å; K1066-E1222 WeakPolarHBondContact CB-OE2 3.45Å; K1066-E1222 PolarHBondContact N-OE2 3.5Å; K1066-R1223 HydrophobicContact CD-CG 4.42Å; K1066-R1223 HydrophobicContact CG-CG 4.1Å |
| 1067 | G | 84.9 | Confident | 92.2 | Very high | 34 Ų | 34 | 31.4 Ų | 31.4 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 9.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | K1065 C1069 D1226 | K1065-G1067 PolarHBondContact O-N 2.9Å; K1065-G1067 VanDerWaalsContact O-N 3.15Å; G1067-C1069 PolarHBondContact O-N 2.86Å; G1067-D1226 WeakPolarHBondContact CA-OD2 3.46Å; G1067-D1226 PolarHBondContact N-OD2 2.97Å |
| 1068 | Q | 90.5 | Very high | 92.1 | Very high | 34 Ų | 34 | 30.9 Ų | 30.9 | 16% | 0.159 | 18% | 0.18 | C | C | . | . | trans | -74.6 | 123.4 | 177.2 | -72.8 | -175.1 | -24.8 | 0 | 0 | 111.5 | V1064 K1065 A1073 I1074 N1077 | V1064-Q1068 HydrophobicContact CG1-CB 4Å; K1065-Q1068 HydrophobicContact CB-CG 3.98Å; K1065-Q1068 VanDerWaalsContact O-CB 3.31Å; K1065-Q1068 WeakPolarHBondContact O-CB 3.46Å; K1065-Q1068 WeakPolarHBondContact O-CG 3.23Å; K1065-Q1068 PolarHBondContact O-N 2.81Å; Q1068-A1073 HydrophobicContact CG-CB 4.47Å; Q1068-I1074 HydrophobicContact CB-CG1 4.25Å; Q1068-N1077 PolarHBondContact OE1-ND2 3.36Å | ||
| 1069 | C | 89.6 | Confident | 91.8 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 50% | 0.5 | 19% | 0.185 | S | C | . | . | trans | -122.1 | 0.6 | 173.4 | 61 | 0 | 0 | 0 | 0 | 113.3 | G1067 Q1229 P1231 | G1067-C1069 PolarHBondContact O-N 2.86Å; C1069-Q1229 HydrophobicContact CB-CB 4.3Å; C1069-P1231 WeakPolarHBondContact O-CG 3.19Å | ||
| 1070 | S | 91.4 | Very high | 91.3 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 44% | 0.441 | 19% | 0.193 | S | C | . | . | trans | -99 | 127.6 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | S1072 A1073 I1074 | S1070-S1072 VanDerWaalsContact C-N 3.29Å; S1070-S1072 PolarHBondContact O-N 3.26Å; S1070-A1073 PolarHBondContact O-N 3.21Å; S1070-A1073 VanDerWaalsContact O-N 3.09Å; S1070-I1074 WeakPolarHBondContact O-CG1 3.43Å; S1070-I1074 PolarHBondContact O-N 2.94Å; S1070-I1074 VanDerWaalsContact O-N 3.12Å | ||
| 1071 | T | 91.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.4 | -44.1 | 176.2 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | A1073 I1074 L1075 P1231 E1234 L1235 Y1238 | T1071-A1073 VanDerWaalsContact C-N 3.35Å; T1071-A1073 PolarHBondContact O-N 3.49Å; T1071-I1074 PolarHBondContact O-N 3.04Å; T1071-L1075 HydrophobicContact CG2-CD1 4.1Å; T1071-L1075 WeakPolarHBondContact O-CG 2.99Å; T1071-L1075 PolarHBondContact O-N 3.47Å; T1071-P1231 VanDerWaalsContact OG1-CG 3.23Å; T1071-P1231 WeakPolarHBondContact OG1-CG 3.5Å; T1071-E1234 WeakPolarHBondContact CB-OE2 3.46Å; T1071-E1234 HydrophobicContact CG2-CB 4.05Å; T1071-E1234 VanDerWaalsContact OG1-CB 3.3Å; T1071-E1234 WeakPolarHBondContact OG1-CB 3.27Å; T1071-E1234 PolarHBondContact OG1-OE2 3.47Å; T1071-L1235 HydrophobicContact CG2-CD2 3.87Å; T1071-L1235 HydrophobicContact CG2-CG 4.38Å; T1071-Y1238 HydrophobicContact CG2-CD2 4.43Å; T1071-Y1238 HydrophobicContact CG2-CE2 3.81Å |
| 1072 | S | 90.3 | Very high | 90 | Very high | 76 Ų | 76 | 39.4 Ų | 39.4 | 53% | 0.531 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 179.3 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | S1070 K1076 | S1070-S1072 VanDerWaalsContact C-N 3.29Å; S1070-S1072 PolarHBondContact O-N 3.26Å; S1072-K1076 WeakPolarHBondContact O-CB 3.43Å; S1072-K1076 PolarHBondContact O-N 3.42Å; S1072-K1076 VanDerWaalsContact O-N 3.12Å |
| 1073 | A | 91.7 | Very high | 89.5 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q1068 S1070 T1071 K1076 | Q1068-A1073 HydrophobicContact CG-CB 4.47Å; S1070-A1073 PolarHBondContact O-N 3.21Å; S1070-A1073 VanDerWaalsContact O-N 3.09Å; T1071-A1073 VanDerWaalsContact C-N 3.35Å; T1071-A1073 PolarHBondContact O-N 3.49Å; A1073-K1076 PolarHBondContact O-N 3.4Å |
| 1074 | I | 93.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 177.3 | -66.3 | 168.8 | 0 | 0 | 0 | 110.4 | F1062 V1064 Q1068 S1070 T1071 K1076 N1077 V1230 P1231 L1235 | F1062-I1074 HydrophobicContact CB-CG2 4.19Å; F1062-I1074 HydrophobicContact CD1-CG2 4.2Å; V1064-I1074 HydrophobicContact CG1-CD1 4.27Å; V1064-I1074 HydrophobicContact CG1-CG1 4.32Å; V1064-I1074 HydrophobicContact CG2-CD1 4.03Å; V1064-I1074 HydrophobicContact CG2-CG1 4.18Å; V1064-I1074 HydrophobicContact CG2-CG2 4.14Å; Q1068-I1074 HydrophobicContact CB-CG1 4.25Å; S1070-I1074 WeakPolarHBondContact O-CG1 3.43Å; S1070-I1074 PolarHBondContact O-N 2.94Å; S1070-I1074 VanDerWaalsContact O-N 3.12Å; T1071-I1074 PolarHBondContact O-N 3.04Å; I1074-K1076 VanDerWaalsContact C-N 3.28Å; I1074-K1076 PolarHBondContact O-N 3.35Å; I1074-N1077 WeakPolarHBondContact O-CB 3.32Å; I1074-N1077 PolarHBondContact O-N 3.5Å; I1074-N1077 VanDerWaalsContact O-N 3.12Å; I1074-V1230 HydrophobicContact CD1-CG1 4.34Å; I1074-P1231 HydrophobicContact CD1-CG 4.18Å; I1074-L1235 HydrophobicContact CB-CD2 4.32Å; I1074-L1235 HydrophobicContact CD1-CD1 4.24Å; I1074-L1235 HydrophobicContact CG2-CD1 4.33Å; I1074-L1235 HydrophobicContact CG2-CD2 3.94Å |
| 1075 | L | 92.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -31.6 | 177.8 | -70.2 | 172.6 | 0 | 0 | 0 | 112.9 | F1062 T1071 N1077 S1078 P1157 T1159 L1235 Y1238 | F1062-L1075 HydrophobicContact CE1-CD2 3.94Å; T1071-L1075 HydrophobicContact CG2-CD1 4.1Å; T1071-L1075 WeakPolarHBondContact O-CG 2.99Å; T1071-L1075 PolarHBondContact O-N 3.47Å; L1075-N1077 PolarHBondContact O-N 3.35Å; L1075-S1078 PolarHBondContact O-N 3.39Å; L1075-S1078 PolarHBondContact O-OG 3.29Å; L1075-P1157 HydrophobicContact CD2-CB 3.98Å; L1075-P1157 WeakPolarHBondContact CD2-O 3.11Å; L1075-T1159 HydrophobicContact CB-CG2 3.79Å; L1075-L1235 HydrophobicContact CD2-CD2 4.41Å; L1075-L1235 HydrophobicContact CG-CD2 4.39Å; L1075-Y1238 HydrophobicContact CD1-CD1 3.75Å; L1075-Y1238 HydrophobicContact CD1-CD2 3.95Å; L1075-Y1238 HydrophobicContact CD1-CE1 3.52Å; L1075-Y1238 HydrophobicContact CD1-CE2 3.75Å; L1075-Y1238 HydrophobicContact CD1-CG 3.95Å; L1075-Y1238 HydrophobicContact CD2-CD1 4.47Å; L1075-Y1238 HydrophobicContact CD2-CG 4.27Å |
| 1076 | K | 90.5 | Very high | 88.6 | Confident | 121 Ų | 121 | 54 Ų | 54 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.3 | -20.4 | 176.6 | -167.7 | 175.7 | -179.8 | -177.9 | 0 | 113.2 | S1072 A1073 I1074 S1078 E1079 N1080 | S1072-K1076 WeakPolarHBondContact O-CB 3.43Å; S1072-K1076 PolarHBondContact O-N 3.42Å; S1072-K1076 VanDerWaalsContact O-N 3.12Å; A1073-K1076 PolarHBondContact O-N 3.4Å; I1074-K1076 VanDerWaalsContact C-N 3.28Å; I1074-K1076 PolarHBondContact O-N 3.35Å; K1076-S1078 VanDerWaalsContact C-N 3.35Å; K1076-E1079 PolarHBondContact O-N 3.43Å; K1076-N1080 PolarHBondContact O-N 2.93Å; K1076-N1080 PolarHBondContact O-ND2 2.88Å |
| 1077 | N | 92 | Very high | 88.8 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -31.5 | 177.7 | -62.6 | -32.7 | 0 | 0 | 0 | 112.2 | Y1063 K1065 Q1068 I1074 L1075 E1079 N1080 V1081 | Y1063-N1077 HydrophobicContact CD1-CB 4.13Å; Y1063-N1077 PolarHBondContact O-ND2 2.86Å; K1065-N1077 WeakPolarHBondContact CE-OD1 3.41Å; Q1068-N1077 PolarHBondContact OE1-ND2 3.36Å; I1074-N1077 WeakPolarHBondContact O-CB 3.32Å; I1074-N1077 PolarHBondContact O-N 3.5Å; I1074-N1077 VanDerWaalsContact O-N 3.12Å; L1075-N1077 PolarHBondContact O-N 3.35Å; N1077-E1079 VanDerWaalsContact C-N 3.28Å; N1077-E1079 PolarHBondContact O-N 2.9Å; N1077-N1080 CarbonylContact O-C 3.48Å; N1077-N1080 VanDerWaalsContact O-C 3.27Å; N1077-N1080 PolarHBondContact O-N 2.89Å; N1077-V1081 PolarHBondContact O-N 2.98Å |
| 1078 | S | 87.3 | Confident | 89.2 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.1 | -22 | 176.6 | 61 | 0 | 0 | 0 | 0 | 113 | L1075 K1076 V1081 P1157 S1158 | L1075-S1078 PolarHBondContact O-N 3.39Å; L1075-S1078 PolarHBondContact O-OG 3.29Å; K1076-S1078 VanDerWaalsContact C-N 3.35Å; S1078-V1081 WeakPolarHBondContact O-CG2 3.36Å; S1078-P1157 VanDerWaalsContact CB-O 3.31Å; S1078-P1157 WeakPolarHBondContact CB-O 3.34Å; S1078-P1157 PolarHBondContact OG-O 2.61Å; S1078-S1158 WeakPolarHBondContact OG-CA 3.09Å; S1078-S1158 WeakPolarHBondContact OG-CB 3.42Å |
| 1079 | E | 84.5 | Confident | 89.3 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 20% | 0.201 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.7 | -39.8 | 171.9 | -64.7 | 165.7 | -166 | 0 | 0 | 110.1 | K1076 N1077 R1133 T1159 | K1076-E1079 PolarHBondContact O-N 3.43Å; N1077-E1079 VanDerWaalsContact C-N 3.28Å; N1077-E1079 PolarHBondContact O-N 2.9Å; E1079-R1133 PolarHBondContact O-NE 2.82Å; E1079-R1133 PolarHBondContact O-NH2 3.13Å; E1079-T1159 VanDerWaalsContact OE1-CB 3.23Å; E1079-T1159 WeakPolarHBondContact OE1-CB 3.46Å; E1079-T1159 WeakPolarHBondContact OE1-CG2 3.12Å; E1079-T1159 PolarHBondContact OE1-N 3.24Å; E1079-T1159 PolarHBondContact OE1-OG1 2.87Å |
| 1080 | N | 83.8 | Confident | 89.3 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 53.1 | -176.8 | -56.8 | -79.9 | 0 | 0 | 0 | 111 | K1076 N1077 D1082 E1083 R1133 | K1076-N1080 PolarHBondContact O-N 2.93Å; K1076-N1080 PolarHBondContact O-ND2 2.88Å; N1077-N1080 CarbonylContact O-C 3.48Å; N1077-N1080 VanDerWaalsContact O-C 3.27Å; N1077-N1080 PolarHBondContact O-N 2.89Å; N1080-D1082 PolarHBondContact O-N 3.33Å; N1080-D1082 VanDerWaalsContact O-N 3.14Å; N1080-E1083 HydrophobicContact CB-CB 4.34Å; N1080-E1083 HydrophobicContact CB-CG 4.15Å; N1080-E1083 WeakPolarHBondContact O-CB 3.18Å; N1080-E1083 PolarHBondContact O-N 3.39Å; N1080-R1133 PolarHBondContact OD1-NH2 3.49Å |
| 1081 | V | 84.7 | Confident | 89.4 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -58.2 | -30.9 | -176.1 | -159.5 | 0 | 0 | 0 | 0 | 111.7 | N1077 S1078 E1083 T1084 F1088 L1089 L1092 L1156 | N1077-V1081 PolarHBondContact O-N 2.98Å; S1078-V1081 WeakPolarHBondContact O-CG2 3.36Å; V1081-E1083 PolarHBondContact O-N 3.45Å; V1081-T1084 WeakPolarHBondContact O-CB 3.37Å; V1081-T1084 PolarHBondContact O-N 3.3Å; V1081-T1084 PolarHBondContact O-OG1 3.45Å; V1081-F1088 HydrophobicContact CG1-CE1 4.14Å; V1081-L1089 HydrophobicContact CB-CD2 4.36Å; V1081-L1089 HydrophobicContact CG1-CD2 3.47Å; V1081-L1089 VanDerWaalsContact CG1-CD2 3.47Å; V1081-L1092 HydrophobicContact CG1-CD1 3.9Å; V1081-L1156 HydrophobicContact CG1-CD2 4.49Å; V1081-L1156 HydrophobicContact CG2-CD2 4.33Å |
| 1082 | D | 81.5 | Confident | 89.5 | Confident | 119 Ų | 119 | 44.8 Ų | 44.8 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -64.6 | -20.6 | 177.4 | -58.1 | -41.1 | 0 | 0 | 0 | 114 | N1080 T1084 | N1080-D1082 PolarHBondContact O-N 3.33Å; N1080-D1082 VanDerWaalsContact O-N 3.14Å; D1082-T1084 VanDerWaalsContact C-N 3.33Å |
| 1083 | E | 84.4 | Confident | 89.3 | Confident | 130 Ų | 130 | 45.8 Ų | 45.8 | 61% | 0.607 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -89.5 | 4.6 | 175.7 | -62.2 | -174 | 173.7 | 0 | 0 | 113.3 | K1065 N1080 V1081 | K1065-E1083 IonicContact NZ-OE2 2.97Å; N1080-E1083 HydrophobicContact CB-CB 4.34Å; N1080-E1083 HydrophobicContact CB-CG 4.15Å; N1080-E1083 WeakPolarHBondContact O-CB 3.18Å; N1080-E1083 PolarHBondContact O-N 3.39Å; V1081-E1083 PolarHBondContact O-N 3.45Å |
| 1084 | T | 88.4 | Confident | 89.2 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -90.1 | 170.1 | 177.5 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | Y1063 V1081 D1082 K1086 F1088 | Y1063-T1084 HydrophobicContact CD1-CG2 3.69Å; Y1063-T1084 HydrophobicContact CD2-CG2 4.34Å; Y1063-T1084 HydrophobicContact CE1-CG2 3.8Å; Y1063-T1084 HydrophobicContact CE2-CG2 4.46Å; Y1063-T1084 HydrophobicContact CG-CG2 3.95Å; V1081-T1084 WeakPolarHBondContact O-CB 3.37Å; V1081-T1084 PolarHBondContact O-N 3.3Å; V1081-T1084 PolarHBondContact O-OG1 3.45Å; D1082-T1084 VanDerWaalsContact C-N 3.33Å; T1084-K1086 PolarHBondContact O-N 2.89Å; T1084-F1088 HydrophobicContact CG2-CD1 4.3Å; T1084-F1088 HydrophobicContact CG2-CE1 4.43Å; T1084-F1088 WeakPolarHBondContact OG1-CD1 3.44Å |
| 1085 | D | 89.5 | Confident | 89 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | trans | -57.9 | 134.7 | 177.6 | -177.4 | -79.6 | 0 | 0 | 0 | 111.8 | Y1063 C1087 F1088 L1089 R1261 | Y1063-D1085 HydrophobicContact CE2-CB 4.48Å; Y1063-D1085 VanDerWaalsContact OH-CB 3.28Å; Y1063-D1085 WeakPolarHBondContact OH-CB 3.4Å; Y1063-D1085 PolarHBondContact OH-N 3.33Å; D1085-C1087 PolarHBondContact O-N 3.38Å; D1085-C1087 VanDerWaalsContact O-N 3.14Å; D1085-C1087 WeakPolarHBondContact OD1-CA 3.46Å; D1085-C1087 WeakPolarHBondContact OD1-CB 3.4Å; D1085-C1087 PolarHBondContact OD1-N 2.91Å; D1085-F1088 HydrophobicContact CB-CB 4.46Å; D1085-F1088 WeakPolarHBondContact O-CA 3.34Å; D1085-F1088 VanDerWaalsContact O-CB 3.28Å; D1085-F1088 WeakPolarHBondContact O-CB 3.4Å; D1085-F1088 PolarHBondContact O-N 2.99Å; D1085-L1089 PolarHBondContact O-N 2.95Å; D1085-R1261 IonicContact OD1-NH1 3.31Å; D1085-R1261 IonicContact OD2-NH1 3.1Å; D1085-R1261 PolarHBondContact OD2-NH1 3.33Å | ||
| 1086 | K | 89.7 | Confident | 88.7 | Confident | 178 Ų | 178 | 47.8 Ų | 47.8 | 77% | 0.774 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -57.7 | -30.8 | -178.9 | -67.4 | -177 | 179.2 | -178.7 | 0 | 113.3 | T1084 L1089 A1090 | T1084-K1086 PolarHBondContact O-N 2.89Å; K1086-L1089 PolarHBondContact O-N 3.43Å; K1086-A1090 PolarHBondContact O-N 2.99Å |
| 1087 | C | 91.5 | Very high | 88.3 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.3 | -28.9 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | D1085 A1090 F1091 W1220 Y1267 L1292 | D1085-C1087 PolarHBondContact O-N 3.38Å; D1085-C1087 VanDerWaalsContact O-N 3.14Å; D1085-C1087 WeakPolarHBondContact OD1-CA 3.46Å; D1085-C1087 WeakPolarHBondContact OD1-CB 3.4Å; D1085-C1087 PolarHBondContact OD1-N 2.91Å; C1087-A1090 PolarHBondContact O-N 3.43Å; C1087-F1091 WeakPolarHBondContact O-CB 3.43Å; C1087-F1091 PolarHBondContact O-N 2.92Å; C1087-W1220 HydrophobicContact CB-CH2 4.47Å; C1087-Y1267 HydrophobicContact CB-CE1 4.49Å; C1087-Y1267 WeakPolarHBondContact CB-OH 3.37Å; C1087-Y1267 PolarHBondContact SG-OH 3.45Å; C1087-L1292 HydrophobicContact CB-CD1 4.31Å; C1087-L1292 HydrophobicContact CB-CD2 3.89Å; C1087-L1292 WeakPolarHBondContact O-CD1 3.31Å |
| 1088 | F | 94.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 169.3 | 175 | -109 | 0 | 0 | 0 | 110.8 | I1061 Y1063 V1081 T1084 D1085 A1090 F1091 L1092 L1156 W1220 | I1061-F1088 HydrophobicContact CG2-CE2 3.88Å; I1061-F1088 HydrophobicContact CG2-CZ 4.05Å; Y1063-F1088 HydrophobicContact CD2-CB 4.11Å; Y1063-F1088 AromaticContact CD2-CD1 3.64Å; Y1063-F1088 HydrophobicContact CD2-CD1 3.64Å; Y1063-F1088 AromaticContact CD2-CD2 3.73Å; Y1063-F1088 HydrophobicContact CD2-CD2 3.73Å; Y1063-F1088 AromaticContact CD2-CE1 3.85Å; Y1063-F1088 HydrophobicContact CD2-CE1 3.85Å; Y1063-F1088 AromaticContact CD2-CE2 3.95Å; Y1063-F1088 HydrophobicContact CD2-CE2 3.95Å; Y1063-F1088 AromaticContact CD2-CG 3.54Å; Y1063-F1088 HydrophobicContact CD2-CG 3.54Å; Y1063-F1088 HydrophobicContact CD2-CZ 4Å; Y1063-F1088 HydrophobicContact CE2-CB 3.75Å; Y1063-F1088 HydrophobicContact CE2-CD1 4.01Å; Y1063-F1088 HydrophobicContact CE2-CD2 4.2Å; Y1063-F1088 AromaticContact CE2-CG 3.73Å; Y1063-F1088 HydrophobicContact CE2-CG 3.73Å; Y1063-F1088 HydrophobicContact CG-CD1 4.4Å; Y1063-F1088 HydrophobicContact CG-CE1 4.27Å; Y1063-F1088 HydrophobicContact CG-CZ 4.45Å; V1081-F1088 HydrophobicContact CG1-CE1 4.14Å; T1084-F1088 HydrophobicContact CG2-CD1 4.3Å; T1084-F1088 HydrophobicContact CG2-CE1 4.43Å; T1084-F1088 WeakPolarHBondContact OG1-CD1 3.44Å; D1085-F1088 HydrophobicContact CB-CB 4.46Å; D1085-F1088 WeakPolarHBondContact O-CA 3.34Å; D1085-F1088 VanDerWaalsContact O-CB 3.28Å; D1085-F1088 WeakPolarHBondContact O-CB 3.4Å; D1085-F1088 PolarHBondContact O-N 2.99Å; F1088-A1090 PolarHBondContact O-N 2.86Å; F1088-F1091 HydrophobicContact CD2-CD1 4.18Å; F1088-F1091 HydrophobicContact CE2-CD1 4.36Å; F1088-F1091 WeakPolarHBondContact O-CB 3.24Å; F1088-F1091 PolarHBondContact O-N 2.87Å; F1088-L1092 HydrophobicContact CD1-CD1 4.1Å; F1088-L1092 HydrophobicContact CD1-CG 4.41Å; F1088-L1092 HydrophobicContact CE1-CD1 3.59Å; F1088-L1092 HydrophobicContact CE1-CD2 4.49Å; F1088-L1092 HydrophobicContact CE1-CG 4.1Å; F1088-L1092 HydrophobicContact CE2-CD2 4.08Å; F1088-L1092 HydrophobicContact CE2-CG 4.27Å; F1088-L1092 HydrophobicContact CZ-CD1 3.87Å; F1088-L1092 HydrophobicContact CZ-CD2 3.94Å; F1088-L1092 HydrophobicContact CZ-CG 4.03Å; F1088-L1092 WeakPolarHBondContact O-CG 3.32Å; F1088-L1092 PolarHBondContact O-N 3.46Å; F1088-L1156 HydrophobicContact CE1-CD2 4.34Å; F1088-L1156 HydrophobicContact CZ-CD2 4.18Å; F1088-W1220 HydrophobicContact CB-CD2 4.17Å; F1088-W1220 HydrophobicContact CB-CE3 4.46Å; F1088-W1220 HydrophobicContact CB-CH2 4.29Å; F1088-W1220 HydrophobicContact CB-CZ2 4.01Å; F1088-W1220 HydrophobicContact CD2-CB 3.92Å; F1088-W1220 AromaticContact CD2-CD2 3.58Å; F1088-W1220 HydrophobicContact CD2-CD2 3.58Å; F1088-W1220 AromaticContact CD2-CE3 3.6Å; F1088-W1220 HydrophobicContact CD2-CE3 3.6Å; F1088-W1220 AromaticContact CD2-CG 3.75Å; F1088-W1220 HydrophobicContact CD2-CG 3.75Å; F1088-W1220 HydrophobicContact CD2-CZ3 4.22Å; F1088-W1220 HydrophobicContact CE2-CB 3.97Å; F1088-W1220 HydrophobicContact CE2-CD2 4.45Å; F1088-W1220 HydrophobicContact CE2-CE3 4.41Å; F1088-W1220 HydrophobicContact CE2-CG 4.3Å; F1088-W1220 HydrophobicContact CG-CD2 4.3Å; F1088-W1220 HydrophobicContact CG-CG 4.49Å |
| 1089 | L | 91.2 | Very high | 87.4 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 173.5 | -67.8 | 174.6 | 0 | 0 | 0 | 112.1 | V1081 D1085 K1086 F1091 L1092 T1093 | V1081-L1089 HydrophobicContact CB-CD2 4.36Å; V1081-L1089 HydrophobicContact CG1-CD2 3.47Å; V1081-L1089 VanDerWaalsContact CG1-CD2 3.47Å; D1085-L1089 PolarHBondContact O-N 2.95Å; K1086-L1089 PolarHBondContact O-N 3.43Å; L1089-F1091 VanDerWaalsContact C-N 3.3Å; L1089-F1091 PolarHBondContact O-N 3.21Å; L1089-L1092 WeakPolarHBondContact O-CB 3.29Å; L1089-L1092 PolarHBondContact O-N 3.17Å; L1089-T1093 WeakPolarHBondContact O-CG2 3.14Å; L1089-T1093 PolarHBondContact O-N 2.94Å; L1089-T1093 PolarHBondContact O-OG1 2.93Å |
| 1090 | A | 90.2 | Very high | 87.1 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -35.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1086 C1087 F1088 T1093 N1094 L1292 | K1086-A1090 PolarHBondContact O-N 2.99Å; C1087-A1090 PolarHBondContact O-N 3.43Å; F1088-A1090 PolarHBondContact O-N 2.86Å; A1090-T1093 WeakPolarHBondContact CA-OG1 3.47Å; A1090-T1093 PolarHBondContact O-OG1 3.33Å; A1090-N1094 WeakPolarHBondContact O-CB 3.35Å; A1090-N1094 PolarHBondContact O-N 3.23Å; A1090-N1094 PolarHBondContact O-ND2 2.9Å; A1090-L1292 HydrophobicContact CB-CD2 3.9Å |
| 1091 | F | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 171.4 | 164.3 | -110.3 | 0 | 0 | 0 | 111.5 | C1087 F1088 L1089 T1093 N1094 L1095 V1218 W1220 L1292 L1295 A1296 V1299 | C1087-F1091 WeakPolarHBondContact O-CB 3.43Å; C1087-F1091 PolarHBondContact O-N 2.92Å; F1088-F1091 HydrophobicContact CD2-CD1 4.18Å; F1088-F1091 HydrophobicContact CE2-CD1 4.36Å; F1088-F1091 WeakPolarHBondContact O-CB 3.24Å; F1088-F1091 PolarHBondContact O-N 2.87Å; L1089-F1091 VanDerWaalsContact C-N 3.3Å; L1089-F1091 PolarHBondContact O-N 3.21Å; F1091-T1093 PolarHBondContact O-N 3.01Å; F1091-N1094 CarbonylContact O-C 3.58Å; F1091-N1094 PolarHBondContact O-N 2.7Å; F1091-N1094 VanDerWaalsContact O-N 3.1Å; F1091-L1095 HydrophobicContact CD1-CD1 4.28Å; F1091-L1095 HydrophobicContact CD2-CG 4.37Å; F1091-L1095 HydrophobicContact CE1-CD1 3.68Å; F1091-L1095 HydrophobicContact CE1-CG 4.3Å; F1091-L1095 HydrophobicContact CE2-CD1 4.18Å; F1091-L1095 HydrophobicContact CE2-CD2 3.79Å; F1091-L1095 HydrophobicContact CE2-CG 3.92Å; F1091-L1095 HydrophobicContact CZ-CD1 3.63Å; F1091-L1095 HydrophobicContact CZ-CD2 3.83Å; F1091-L1095 HydrophobicContact CZ-CG 3.89Å; F1091-L1095 WeakPolarHBondContact O-CG 3.4Å; F1091-L1095 PolarHBondContact O-N 3.43Å; F1091-L1095 VanDerWaalsContact O-N 3.1Å; F1091-V1218 HydrophobicContact CE1-CG1 4.32Å; F1091-V1218 HydrophobicContact CZ-CG1 4.19Å; F1091-W1220 HydrophobicContact CB-CH2 4.36Å; F1091-W1220 HydrophobicContact CB-CZ3 3.78Å; F1091-W1220 HydrophobicContact CD1-CE3 4.03Å; F1091-W1220 AromaticContact CD1-CZ3 3.92Å; F1091-W1220 HydrophobicContact CD1-CZ3 3.92Å; F1091-W1220 HydrophobicContact CG-CE3 4.43Å; F1091-W1220 AromaticContact CG-CZ3 3.87Å; F1091-W1220 HydrophobicContact CG-CZ3 3.87Å; F1091-L1292 HydrophobicContact CB-CD1 4.07Å; F1091-L1295 HydrophobicContact CB-CD2 4.28Å; F1091-L1295 HydrophobicContact CD2-CB 4.1Å; F1091-L1295 HydrophobicContact CD2-CD2 3.38Å; F1091-L1295 HydrophobicContact CD2-CG 3.6Å; F1091-L1295 HydrophobicContact CE2-CB 4.39Å; F1091-L1295 HydrophobicContact CE2-CD2 3.79Å; F1091-L1295 HydrophobicContact CE2-CG 3.64Å; F1091-L1295 HydrophobicContact CG-CD2 3.87Å; F1091-A1296 HydrophobicContact CD2-CB 4.08Å; F1091-A1296 HydrophobicContact CE2-CB 4.11Å; F1091-V1299 HydrophobicContact CE2-CG2 4.3Å; F1091-V1299 HydrophobicContact CZ-CG2 4.39Å |
| 1092 | L | 92.3 | Very high | 85.9 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 177 | -68.3 | -176.3 | 0 | 0 | 0 | 111.9 | I1061 V1081 F1088 L1089 N1094 L1095 L1143 L1156 | I1061-L1092 HydrophobicContact CD1-CD2 3.9Å; I1061-L1092 HydrophobicContact CG2-CD2 4.41Å; V1081-L1092 HydrophobicContact CG1-CD1 3.9Å; F1088-L1092 HydrophobicContact CD1-CD1 4.1Å; F1088-L1092 HydrophobicContact CD1-CG 4.41Å; F1088-L1092 HydrophobicContact CE1-CD1 3.59Å; F1088-L1092 HydrophobicContact CE1-CD2 4.49Å; F1088-L1092 HydrophobicContact CE1-CG 4.1Å; F1088-L1092 HydrophobicContact CE2-CD2 4.08Å; F1088-L1092 HydrophobicContact CE2-CG 4.27Å; F1088-L1092 HydrophobicContact CZ-CD1 3.87Å; F1088-L1092 HydrophobicContact CZ-CD2 3.94Å; F1088-L1092 HydrophobicContact CZ-CG 4.03Å; F1088-L1092 WeakPolarHBondContact O-CG 3.32Å; F1088-L1092 PolarHBondContact O-N 3.46Å; L1089-L1092 WeakPolarHBondContact O-CB 3.29Å; L1089-L1092 PolarHBondContact O-N 3.17Å; L1092-N1094 PolarHBondContact O-N 3.46Å; L1092-L1095 HydrophobicContact CD2-CD1 4.14Å; L1092-L1095 WeakPolarHBondContact O-CB 3.2Å; L1092-L1095 PolarHBondContact O-N 3.07Å; L1092-L1095 VanDerWaalsContact O-N 3.09Å; L1092-L1143 HydrophobicContact CB-CD1 3.94Å; L1092-L1143 HydrophobicContact CD2-CD1 4Å; L1092-L1143 HydrophobicContact CG-CD1 4.45Å; L1092-L1156 HydrophobicContact CD1-CD2 3.91Å; L1092-L1156 HydrophobicContact CD2-CD1 4.04Å |
| 1093 | T | 87.9 | Confident | 85.1 | Confident | 98 Ų | 98 | 50 Ų | 50 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.7 | -28 | 177.1 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | L1089 A1090 F1091 | L1089-T1093 WeakPolarHBondContact O-CG2 3.14Å; L1089-T1093 PolarHBondContact O-N 2.94Å; L1089-T1093 PolarHBondContact O-OG1 2.93Å; A1090-T1093 WeakPolarHBondContact CA-OG1 3.47Å; A1090-T1093 PolarHBondContact O-OG1 3.33Å; F1091-T1093 PolarHBondContact O-N 3.01Å |
| 1094 | N | 88.8 | Confident | 84.1 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -82.8 | -13.3 | 177.7 | -73.6 | -13.8 | 0 | 0 | 0 | 113 | A1090 F1091 L1092 A1296 R1300 | A1090-N1094 WeakPolarHBondContact O-CB 3.35Å; A1090-N1094 PolarHBondContact O-N 3.23Å; A1090-N1094 PolarHBondContact O-ND2 2.9Å; F1091-N1094 CarbonylContact O-C 3.58Å; F1091-N1094 PolarHBondContact O-N 2.7Å; F1091-N1094 VanDerWaalsContact O-N 3.1Å; L1092-N1094 PolarHBondContact O-N 3.46Å; N1094-A1296 VanDerWaalsContact C-CB 3.47Å; N1094-A1296 HydrophobicContact CB-CB 3.71Å; N1094-A1296 VanDerWaalsContact O-CB 3.29Å; N1094-A1296 WeakPolarHBondContact O-CB 3.37Å; N1094-R1300 PolarHBondContact O-NH1 3.4Å |
| 1095 | L | 90.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -75 | -40.3 | 179.9 | -79.8 | 173.4 | 0 | 0 | 0 | 113.1 | I1061 F1091 L1092 F1154 A1296 V1299 R1300 | I1061-L1095 HydrophobicContact CD1-CD1 3.32Å; F1091-L1095 HydrophobicContact CD1-CD1 4.28Å; F1091-L1095 HydrophobicContact CD2-CG 4.37Å; F1091-L1095 HydrophobicContact CE1-CD1 3.68Å; F1091-L1095 HydrophobicContact CE1-CG 4.3Å; F1091-L1095 HydrophobicContact CE2-CD1 4.18Å; F1091-L1095 HydrophobicContact CE2-CD2 3.79Å; F1091-L1095 HydrophobicContact CE2-CG 3.92Å; F1091-L1095 HydrophobicContact CZ-CD1 3.63Å; F1091-L1095 HydrophobicContact CZ-CD2 3.83Å; F1091-L1095 HydrophobicContact CZ-CG 3.89Å; F1091-L1095 WeakPolarHBondContact O-CG 3.4Å; F1091-L1095 PolarHBondContact O-N 3.43Å; F1091-L1095 VanDerWaalsContact O-N 3.1Å; L1092-L1095 HydrophobicContact CD2-CD1 4.14Å; L1092-L1095 WeakPolarHBondContact O-CB 3.2Å; L1092-L1095 PolarHBondContact O-N 3.07Å; L1092-L1095 VanDerWaalsContact O-N 3.09Å; L1095-F1154 HydrophobicContact CB-CD2 4.36Å; L1095-F1154 HydrophobicContact CB-CG 4.43Å; L1095-F1154 HydrophobicContact CD1-CD1 4.04Å; L1095-F1154 HydrophobicContact CD1-CG 4.3Å; L1095-F1154 HydrophobicContact CD2-CD1 4.19Å; L1095-F1154 HydrophobicContact CD2-CE1 3.92Å; L1095-F1154 HydrophobicContact CD2-CZ 4.35Å; L1095-A1296 HydrophobicContact CD2-CB 3.8Å; L1095-A1296 HydrophobicContact CG-CB 4.06Å; L1095-V1299 HydrophobicContact CD2-CB 4.36Å; L1095-V1299 HydrophobicContact CD2-CG1 4.18Å; L1095-R1300 VanDerWaalsContact C-NH1 3.31Å; L1095-R1300 PolarHBondContact O-NH1 3.35Å |
| 1096 | G | 85.2 | Confident | 82.6 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | trans | -176.4 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1144 | G1096-Y1144 CarbonylContact C-O 3.27Å; G1096-Y1144 VanDerWaalsContact CA-O 3.23Å; G1096-Y1144 WeakPolarHBondContact CA-O 3.46Å | ||
| 1097 | E | 81.6 | Confident | 82.3 | Confident | 135 Ų | 135 | 36 Ų | 36 | 63% | 0.631 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 139.1 | 177.1 | -64.5 | -173.7 | 161.7 | 0 | 0 | 110.1 | V1099 L1143 Y1144 | E1097-V1099 PolarHBondContact O-N 2.9Å; E1097-L1143 CarbonylContact O-C 3.59Å; E1097-L1143 WeakPolarHBondContact O-CA 3.13Å; E1097-Y1144 PolarHBondContact N-O 3.4Å; E1097-Y1144 PolarHBondContact O-N 3.07Å |
| 1098 | G | 81 | Confident | 82 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 60% | 0.598 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1142 | G1098-L1142 WeakPolarHBondContact CA-O 3.33Å |
| 1099 | V | 80.3 | Confident | 81.6 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 11% | 0.109 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.3 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | E1097 L1106 H1141 L1142 | E1097-V1099 PolarHBondContact O-N 2.9Å; V1099-L1106 HydrophobicContact CG1-CD1 4.28Å; V1099-H1141 CarbonylContact O-C 3.57Å; V1099-H1141 VanDerWaalsContact O-CA 3.3Å; V1099-H1141 WeakPolarHBondContact O-CA 3.35Å; V1099-L1142 HydrophobicContact CB-CD2 4.48Å; V1099-L1142 PolarHBondContact N-O 3.48Å; V1099-L1142 PolarHBondContact O-N 3.49Å |
| 1100 | A | 78.4 | Confident | 81.4 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | G1102 D1103 | A1100-G1102 PolarHBondContact O-N 2.84Å; A1100-D1103 WeakPolarHBondContact CB-OD2 3.37Å; A1100-D1103 PolarHBondContact O-N 2.86Å |
| 1101 | V | 76.7 | Confident | 80.8 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 123.7 | -176.6 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | T1108 K1139 N1140 L1142 | V1101-T1108 HydrophobicContact CG1-CG2 4.02Å; V1101-T1108 HydrophobicContact CG2-CG2 4.23Å; V1101-K1139 WeakPolarHBondContact CB-O 3.49Å; V1101-N1140 PolarHBondContact N-O 3.05Å; V1101-L1142 HydrophobicContact CG2-CD2 3.65Å |
| 1102 | G | 66.8 | Low | 80 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.3 | -18.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1100 | A1100-G1102 PolarHBondContact O-N 2.84Š|
| 1103 | D | 64.5 | Low | 79.4 | Confident | 117 Ų | 117 | 34.2 Ų | 34.2 | 63% | 0.626 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -41.4 | 174.2 | -73.1 | 0.1 | 0 | 0 | 0 | 110.7 | A1100 | A1100-D1103 WeakPolarHBondContact CB-OD2 3.37Å; A1100-D1103 PolarHBondContact O-N 2.86Å |
| 1104 | D | 64 | Low | 79.1 | Confident | 54 Ų | 54 | 29.5 Ų | 29.5 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -126.5 | 148.9 | -177.5 | -61.7 | -54.4 | 0 | 0 | 0 | 112.2 | L1106 | D1104-L1106 VanDerWaalsContact C-N 3.33Å; D1104-L1106 HydrophobicContact CB-CD1 3.59Å; D1104-L1106 HydrophobicContact CB-CG 3.76Å; D1104-L1106 PolarHBondContact O-N 2.71Å |
| 1105 | A | 69.7 | Low | 78.4 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | trans | -84.6 | 75.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T823 L825 Y1115 T1117 | T823-A1105 PolarHBondContact O-N 3.09Å; L825-A1105 HydrophobicContact CB-CB 3.32Å; L825-A1105 HydrophobicContact CG-CB 4.46Å; A1105-Y1115 WeakPolarHBondContact O-CD1 3.46Å; A1105-T1117 HydrophobicContact CB-CG2 3.99Å | ||
| 1106 | L | 76.1 | Confident | 77.3 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -118.9 | 168.2 | -172.3 | -68.2 | 175 | 0 | 0 | 0 | 113.1 | T823 V1099 D1104 T1108 A1114 Y1115 Y1144 | T823-L1106 HydrophobicContact CG2-CD2 3.27Å; T823-L1106 HydrophobicContact CG2-CG 4.21Å; V1099-L1106 HydrophobicContact CG1-CD1 4.28Å; D1104-L1106 VanDerWaalsContact C-N 3.33Å; D1104-L1106 HydrophobicContact CB-CD1 3.59Å; D1104-L1106 HydrophobicContact CB-CG 3.76Å; D1104-L1106 PolarHBondContact O-N 2.71Å; L1106-T1108 PolarHBondContact O-N 2.77Å; L1106-A1114 WeakPolarHBondContact O-CA 3.45Å; L1106-Y1115 PolarHBondContact O-N 3.17Å; L1106-Y1144 HydrophobicContact CB-CD2 4.27Å; L1106-Y1144 HydrophobicContact CB-CE2 3.96Å; L1106-Y1144 HydrophobicContact CD1-CD1 4.08Å; L1106-Y1144 HydrophobicContact CD1-CD2 4.05Å; L1106-Y1144 HydrophobicContact CD1-CE1 4.08Å; L1106-Y1144 HydrophobicContact CD1-CE2 4.03Å; L1106-Y1144 HydrophobicContact CD1-CG 4.06Å; L1106-Y1144 HydrophobicContact CD2-CE1 4.09Å; L1106-Y1144 HydrophobicContact CD2-CE2 3.73Å; L1106-Y1144 VanDerWaalsContact CD2-CZ 3.43Å; L1106-Y1144 VanDerWaalsContact CD2-OH 3.26Å; L1106-Y1144 WeakPolarHBondContact CD2-OH 3.24Å; L1106-Y1144 HydrophobicContact CG-CE2 4.13Å |
| 1107 | W | 83.4 | Confident | 76 | Confident | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | trans | -66.5 | 110.9 | 160.8 | -175.2 | -119.3 | 0 | 0 | 0 | 110.8 | V1056 S1057 T1058 G1109 W1111 A1114 Y1115 L1142 E1151 | V1056-W1107 HydrophobicContact CB-CB 4.26Å; V1056-W1107 HydrophobicContact CB-CD2 3.58Å; V1056-W1107 HydrophobicContact CB-CE3 4.09Å; V1056-W1107 HydrophobicContact CB-CG 3.64Å; V1056-W1107 HydrophobicContact CG1-CB 3.75Å; V1056-W1107 HydrophobicContact CG1-CD2 3.75Å; V1056-W1107 HydrophobicContact CG1-CE3 3.95Å; V1056-W1107 HydrophobicContact CG1-CG 3.65Å; V1056-W1107 HydrophobicContact CG2-CD2 4.07Å; V1056-W1107 HydrophobicContact CG2-CE3 4.2Å; V1056-W1107 HydrophobicContact CG2-CH2 4.46Å; V1056-W1107 HydrophobicContact CG2-CZ2 4.3Å; V1056-W1107 HydrophobicContact CG2-CZ3 4.4Å; S1057-W1107 PolarHBondContact O-NE1 2.91Å; T1058-W1107 WeakPolarHBondContact OG1-CZ2 3.43Å; T1058-W1107 PolarHBondContact OG1-NE1 2.83Å; W1107-G1109 VanDerWaalsContact CZ2-C 3.5Å; W1107-G1109 WeakPolarHBondContact CZ2-O 3.49Å; W1107-W1111 HydrophobicContact CH2-CD2 4.15Å; W1107-W1111 HydrophobicContact CH2-CG 4.21Å; W1107-W1111 AromaticContact CH2-NE1 3.96Å; W1107-W1111 AromaticContact CZ3-CD2 3.87Å; W1107-W1111 HydrophobicContact CZ3-CD2 3.87Å; W1107-W1111 AromaticContact CZ3-CE2 3.98Å; W1107-W1111 HydrophobicContact CZ3-CE3 4.05Å; W1107-W1111 HydrophobicContact CZ3-CG 4.27Å; W1107-W1111 HydrophobicContact CZ3-CH2 4.44Å; W1107-W1111 HydrophobicContact CZ3-CZ2 4.28Å; W1107-W1111 HydrophobicContact CZ3-CZ3 4.34Å; W1107-A1114 HydrophobicContact CD2-CB 4.49Å; W1107-A1114 HydrophobicContact CE3-CB 3.47Å; W1107-A1114 VanDerWaalsContact CE3-CB 3.47Å; W1107-A1114 HydrophobicContact CZ3-CB 3.66Å; W1107-Y1115 AromaticContact CE3-CE2 3.93Å; W1107-Y1115 HydrophobicContact CE3-CE2 3.93Å; W1107-L1142 WeakPolarHBondContact O-CD1 3.33Å; W1107-E1151 HydrophobicContact CB-CB 4.1Å; W1107-E1151 WeakPolarHBondContact CB-OE2 3.34Å; W1107-E1151 PolarHBondContact N-OE2 3.11Å; W1107-E1151 VanDerWaalsContact N-OE2 3.12Å | ||
| 1108 | T | 84.5 | Confident | 74.7 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | trans | -94.7 | 2.7 | -179.7 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | V1101 L1106 H1110 T1113 A1114 G1138 L1142 | V1101-T1108 HydrophobicContact CG1-CG2 4.02Å; V1101-T1108 HydrophobicContact CG2-CG2 4.23Å; L1106-T1108 PolarHBondContact O-N 2.77Å; T1108-H1110 PolarHBondContact OG1-O 3.06Å; T1108-T1113 WeakPolarHBondContact CB-OG1 3.34Å; T1108-T1113 PolarHBondContact OG1-OG1 3.1Å; T1108-A1114 VanDerWaalsContact OG1-CA 3.3Å; T1108-A1114 WeakPolarHBondContact OG1-CA 2.87Å; T1108-A1114 PolarHBondContact OG1-N 2.96Å; T1108-G1138 WeakPolarHBondContact O-CA 3.45Å; T1108-L1142 HydrophobicContact CG2-CD2 4.08Å | ||
| 1109 | G | 86.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 91.4 | -11.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1058 W1107 | T1058-G1109 WeakPolarHBondContact OG1-CA 3.35Å; T1058-G1109 PolarHBondContact OG1-O 2.78Å; W1107-G1109 VanDerWaalsContact CZ2-C 3.5Å; W1107-G1109 WeakPolarHBondContact CZ2-O 3.49Å |
| 1110 | H | 86 | Confident | 71.6 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 12% | 0.116 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -138.8 | 137.1 | 174.9 | -169.9 | -90.5 | 0 | 0 | 0 | 112 | T1108 S1112 T1113 A1114 F1164 D1240 T1241 G1242 | T1108-H1110 PolarHBondContact OG1-O 3.06Å; H1110-S1112 PolarHBondContact CE1-OG 3.21Å; H1110-S1112 VanDerWaalsContact CE1-OG 3.29Å; H1110-S1112 VanDerWaalsContact ND1-CB 3.31Å; H1110-S1112 WeakPolarHBondContact ND1-CB 3.37Å; H1110-S1112 PolarHBondContact ND1-N 3.26Å; H1110-S1112 PolarHBondContact ND1-OG 3.37Å; H1110-S1112 PolarHBondContact O-N 2.64Å; H1110-S1112 VanDerWaalsContact O-N 3.1Å; H1110-T1113 PolarHBondContact O-N 3.47Å; H1110-T1113 VanDerWaalsContact O-N 3.13Å; H1110-T1113 PolarHBondContact O-OG1 2.69Å; H1110-A1114 WeakPolarHBondContact O-CB 3.49Å; H1110-A1114 PolarHBondContact O-N 2.89Å; H1110-F1164 AromaticContact NE2-CE2 3.81Å; H1110-D1240 PolarHBondContact CD2-O 3.18Å; H1110-T1241 WeakPolarHBondContact CA-O 3.45Å; H1110-G1242 PolarHBondContact CD2-N 3.44Å; H1110-G1242 WeakPolarHBondContact NE2-CA 3.46Å; H1110-G1242 PolarHBondContact NE2-N 3.32Å |
| 1111 | W | 79.2 | Confident | 69.8 | Low | 10 Ų | 10 | 40.1 Ų | 40.1 | 4% | 0.038 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.5 | -177.9 | -77.6 | 104.9 | 0 | 0 | 0 | 114.2 | R1050 P1052 W1107 T1113 R1173 T1241 | R1050-W1111 PolarHBondContact NH2-O 2.98Å; P1052-W1111 HydrophobicContact CG-CH2 4Å; W1107-W1111 HydrophobicContact CH2-CD2 4.15Å; W1107-W1111 HydrophobicContact CH2-CG 4.21Å; W1107-W1111 AromaticContact CH2-NE1 3.96Å; W1107-W1111 AromaticContact CZ3-CD2 3.87Å; W1107-W1111 HydrophobicContact CZ3-CD2 3.87Å; W1107-W1111 AromaticContact CZ3-CE2 3.98Å; W1107-W1111 HydrophobicContact CZ3-CE3 4.05Å; W1107-W1111 HydrophobicContact CZ3-CG 4.27Å; W1107-W1111 HydrophobicContact CZ3-CH2 4.44Å; W1107-W1111 HydrophobicContact CZ3-CZ2 4.28Å; W1107-W1111 HydrophobicContact CZ3-CZ3 4.34Å; W1111-T1113 VanDerWaalsContact C-N 3.32Å; W1111-T1113 PolarHBondContact O-N 2.85Å; W1111-R1173 HydrophobicContact CD2-CB 4.08Å; W1111-R1173 HydrophobicContact CD2-CG 4.14Å; W1111-R1173 HydrophobicContact CG-CB 4.05Å; W1111-R1173 HydrophobicContact CZ2-CG 4.14Å; W1111-T1241 VanDerWaalsContact CD1-O 3.24Å; W1111-T1241 PolarHBondContact N-O 2.77Å; W1111-T1241 VanDerWaalsContact N-O 3.1Å |
| 1112 | S | 77 | Confident | 68.1 | Low | 27 Ų | 27 | 44.6 Ų | 44.6 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.8 | -179.2 | 73.6 | 0 | 0 | 0 | 0 | 114.3 | H1110 Q1116 | H1110-S1112 PolarHBondContact CE1-OG 3.21Å; H1110-S1112 VanDerWaalsContact CE1-OG 3.29Å; H1110-S1112 VanDerWaalsContact ND1-CB 3.31Å; H1110-S1112 WeakPolarHBondContact ND1-CB 3.37Å; H1110-S1112 PolarHBondContact ND1-N 3.26Å; H1110-S1112 PolarHBondContact ND1-OG 3.37Å; H1110-S1112 PolarHBondContact O-N 2.64Å; H1110-S1112 VanDerWaalsContact O-N 3.1Å; S1112-Q1116 PolarHBondContact O-NE2 2.92Å; S1112-Q1116 PolarHBondContact O-OE1 3.11Å |
| 1113 | T | 79.5 | Confident | 66.8 | Low | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -13.1 | -179.7 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | T1108 H1110 W1111 G1138 | T1108-T1113 WeakPolarHBondContact CB-OG1 3.34Å; T1108-T1113 PolarHBondContact OG1-OG1 3.1Å; H1110-T1113 PolarHBondContact O-N 3.47Å; H1110-T1113 VanDerWaalsContact O-N 3.13Å; H1110-T1113 PolarHBondContact O-OG1 2.69Å; W1111-T1113 VanDerWaalsContact C-N 3.32Å; W1111-T1113 PolarHBondContact O-N 2.85Å; T1113-G1138 PolarHBondContact OG1-O 2.85Å |
| 1114 | A | 80.9 | Confident | 65.4 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 145 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1106 W1107 T1108 H1110 Q1116 | L1106-A1114 WeakPolarHBondContact O-CA 3.45Å; W1107-A1114 HydrophobicContact CD2-CB 4.49Å; W1107-A1114 HydrophobicContact CE3-CB 3.47Å; W1107-A1114 VanDerWaalsContact CE3-CB 3.47Å; W1107-A1114 HydrophobicContact CZ3-CB 3.66Å; T1108-A1114 VanDerWaalsContact OG1-CA 3.3Å; T1108-A1114 WeakPolarHBondContact OG1-CA 2.87Å; T1108-A1114 PolarHBondContact OG1-N 2.96Å; H1110-A1114 WeakPolarHBondContact O-CB 3.49Å; H1110-A1114 PolarHBondContact O-N 2.89Å; A1114-Q1116 VanDerWaalsContact C-N 3.35Å; A1114-Q1116 PolarHBondContact O-N 3.01Å |
| 1115 | Y | 74.3 | Confident | 64.1 | Low | 17 Ų | 17 | 56.2 Ų | 56.2 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 43.8 | 174.3 | -50.9 | -67.5 | 0 | 0 | 0 | 113.7 | P1052 V1056 A1105 L1106 W1107 E1151 | P1052-Y1115 HydrophobicContact CB-CE1 4.5Å; P1052-Y1115 HydrophobicContact CB-CE2 3.69Å; P1052-Y1115 VanDerWaalsContact CB-OH 3.3Å; P1052-Y1115 WeakPolarHBondContact CB-OH 3.36Å; P1052-Y1115 HydrophobicContact CG-CE2 4.41Å; V1056-Y1115 HydrophobicContact CG1-CE2 4.44Å; V1056-Y1115 WeakPolarHBondContact CG1-OH 3.42Å; A1105-Y1115 WeakPolarHBondContact O-CD1 3.46Å; L1106-Y1115 PolarHBondContact O-N 3.17Å; W1107-Y1115 AromaticContact CE3-CE2 3.93Å; W1107-Y1115 HydrophobicContact CE3-CE2 3.93Å; Y1115-E1151 PolarHBondContact OH-OE2 3.13Å |
| 1116 | Q | 67.7 | Low | 62.2 | Low | 41 Ų | 41 | 63 Ų | 63 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | trans | -125.8 | 130.1 | 175 | -69.3 | 171.3 | 18.3 | 0 | 0 | 109.3 | S1112 A1114 | S1112-Q1116 PolarHBondContact O-NE2 2.92Å; S1112-Q1116 PolarHBondContact O-OE1 3.11Å; A1114-Q1116 VanDerWaalsContact C-N 3.35Å; A1114-Q1116 PolarHBondContact O-N 3.01Å | ||
| 1117 | T | 58.7 | Low | 60.2 | Low | 31 Ų | 31 | 67.2 Ų | 67.2 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | trans | -110.4 | 150.6 | 172.2 | 32.7 | 0 | 0 | 0 | 0 | 109.8 | L825 A1105 C1119 | L825-T1117 HydrophobicContact CB-CG2 4.35Å; A1105-T1117 HydrophobicContact CB-CG2 3.99Å; T1117-C1119 PolarHBondContact O-N 2.89Å | ||
| 1118 | N | 54.7 | Low | 58.1 | Low | 105 Ų | 105 | 73.9 Ų | 73.9 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 56.7 | 13.5 | 172.1 | -65.5 | -7 | 0 | 0 | 0 | 117.9 | F1120 | N1118-F1120 VanDerWaalsContact C-N 3.29Å; N1118-F1120 PolarHBondContact O-N 2.86Å |
| 1119 | C | 48.5 | Very low | 56 | Low | 79 Ų | 79 | 82.3 Ų | 82.3 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.4 | -178.7 | -74.3 | 0 | 0 | 0 | 0 | 114.9 | T1117 | T1117-C1119 PolarHBondContact O-N 2.89Š|
| 1120 | F | 46.9 | Very low | 54 | Low | 96 Ų | 96 | 85.7 Ų | 85.7 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | 48.9 | -171.4 | -58.2 | -76.3 | 0 | 0 | 0 | 113.4 | N1118 S1122 | N1118-F1120 VanDerWaalsContact C-N 3.29Å; N1118-F1120 PolarHBondContact O-N 2.86Å; F1120-S1122 PolarHBondContact O-N 3.27Å |
| 1121 | E | 41.2 | Very low | 51.9 | Low | 169 Ų | 169 | 91.8 Ų | 91.8 | 79% | 0.79 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -65.4 | -15.6 | 169.8 | -84 | -172.4 | 149 | 0 | 0 | 113.4 | T1123 | E1121-T1123 PolarHBondContact O-N 3.36Š|
| 1122 | S | 40.4 | Very low | 50.6 | Low | 112 Ų | 112 | 99.8 Ų | 99.8 | 78% | 0.783 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -85.8 | -1.2 | -171.6 | 59.2 | 0 | 0 | 0 | 0 | 116.5 | F1120 | F1120-S1122 PolarHBondContact O-N 3.27Š|
| 1123 | T | 38.6 | Very low | 50 | Low | 108 Ų | 108 | 104.3 Ų | 104.3 | 66% | 0.663 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -111.3 | 7.6 | -177.9 | 32.9 | 0 | 0 | 0 | 0 | 115.3 | E1121 E1125 | E1121-T1123 PolarHBondContact O-N 3.36Å; T1123-E1125 PolarHBondContact O-N 3.42Å |
| 1124 | L | 36.5 | Very low | 49.7 | Very low | 124 Ų | 124 | 110.7 Ų | 110.7 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 8.4 | -177.3 | -79.7 | 169.6 | 0 | 0 | 0 | 116.1 | ||
| 1125 | E | 35.8 | Very low | 49.8 | Very low | 198 Ų | 198 | 112.1 Ų | 112.1 | 93% | 0.925 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 7.7 | 179 | -76.1 | -158.5 | 160.2 | 0 | 0 | 116 | T1123 | T1123-E1125 PolarHBondContact O-N 3.42Š|
| 1126 | E | 31 | Very low | 50.4 | Low | 152 Ų | 152 | 112.6 Ų | 112.6 | 71% | 0.71 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -100.1 | 130.5 | 169 | -92.6 | -166.5 | 171.5 | 0 | 0 | 113.7 | ||
| 1127 | P | 33.6 | Very low | 51.2 | Low | 93 Ų | 93 | 111.5 Ų | 111.5 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | trans | -68.6 | 136.1 | -168.3 | 21.2 | -25.2 | 0 | 0 | 0 | 112.5 | Q1129 S1130 | P1127-Q1129 PolarHBondContact O-N 3.07Å; P1127-S1130 PolarHBondContact O-N 3.01Å; P1127-S1130 PolarHBondContact O-OG 3.14Å | ||
| 1128 | L | 39.3 | Very low | 52.4 | Low | 144 Ų | 144 | 110.1 Ų | 110.1 | 75% | 0.754 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -38.7 | -20.9 | 179.3 | -80.8 | 145.1 | 0 | 0 | 0 | 117.1 | S1130 | L1128-S1130 VanDerWaalsContact C-N 3.35Š|
| 1129 | Q | 40.3 | Very low | 53.7 | Low | 181 Ų | 181 | 109.3 Ų | 109.3 | 85% | 0.846 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.4 | 176.4 | -71.7 | 177.1 | -8.6 | 0 | 0 | 114 | P1127 | P1127-Q1129 PolarHBondContact O-N 3.07Š|
| 1130 | S | 43.8 | Very low | 55.2 | Low | 72 Ų | 72 | 109.7 Ų | 109.7 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -86.3 | -15.4 | 175.4 | 68.3 | 0 | 0 | 0 | 0 | 114 | P1127 L1128 K1132 | P1127-S1130 PolarHBondContact O-N 3.01Å; P1127-S1130 PolarHBondContact O-OG 3.14Å; L1128-S1130 VanDerWaalsContact C-N 3.35Å; S1130-K1132 PolarHBondContact O-N 3.33Å |
| 1131 | R | 41.5 | Very low | 57.1 | Low | 152 Ų | 152 | 107.1 Ų | 107.1 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | trans | -69.3 | 23.6 | -177.8 | -86.9 | -168.6 | -179.2 | -172.9 | -0.7 | 115.6 | R1133 | R1131-R1133 PolarHBondContact O-N 3.03Š| ||
| 1132 | K | 52.9 | Low | 59.3 | Low | 179 Ų | 179 | 99.1 Ų | 99.1 | 78% | 0.778 | 49% | 0.491 | S | S | * | . | trans | -67.9 | -1.6 | -177.8 | -80 | -170.7 | 176.9 | -178.9 | 0 | 115.2 | S1130 | S1130-K1132 PolarHBondContact O-N 3.33Š| ||
| 1133 | R | 64.7 | Low | 61.7 | Low | 121 Ų | 121 | 94.1 Ų | 94.1 | 46% | 0.457 | 46% | 0.455 | S | S | . | . | trans | -130.9 | 111.4 | -169.1 | -163.8 | 170.5 | 178.4 | 163.2 | -5.2 | 112.3 | E1079 N1080 R1131 | E1079-R1133 PolarHBondContact O-NE 2.82Å; E1079-R1133 PolarHBondContact O-NH2 3.13Å; N1080-R1133 PolarHBondContact OD1-NH2 3.49Å; R1131-R1133 PolarHBondContact O-N 3.03Å | ||
| 1134 | Y | 73 | Confident | 64 | Low | 150 Ų | 150 | 89.5 Ų | 89.5 | 59% | 0.588 | 43% | 0.425 | S | S | * | . | trans | -81.9 | 132.9 | 174.3 | -66.9 | -83.2 | 0 | 0 | 0 | 110.6 | F1136 H1141 | Y1134-F1136 HydrophobicContact CG-CZ 4.5Å; Y1134-H1141 AromaticContact CD1-CD2 3.88Å | ||
| 1135 | V | 81.9 | Confident | 66.4 | Low | 31 Ų | 31 | 86.1 Ų | 86.1 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | trans | -127 | 110.4 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | D1137 H1141 | V1135-D1137 VanDerWaalsContact C-N 3.31Å; V1135-D1137 HydrophobicContact CG1-CB 4.07Å; V1135-D1137 PolarHBondContact O-N 2.88Å; V1135-H1141 VanDerWaalsContact O-CB 3.32Å; V1135-H1141 WeakPolarHBondContact O-CB 3.2Å; V1135-H1141 PolarHBondContact O-N 3.44Å; V1135-H1141 VanDerWaalsContact O-N 3.17Å; V1135-H1141 PolarHBondContact O-ND1 2.95Å | ||
| 1136 | F | 88 | Confident | 68.4 | Low | 26 Ų | 26 | 78.4 Ų | 78.4 | 11% | 0.114 | 37% | 0.372 | C | S | . | . | trans | -89.8 | 51.7 | -173.7 | -57.7 | -70.6 | 0 | 0 | 0 | 113 | Y1134 H1141 L1143 L1155 L1156 | Y1134-F1136 HydrophobicContact CG-CZ 4.5Å; F1136-H1141 CarbonylContact C-O 2.97Å; F1136-H1141 VanDerWaalsContact C-O 3.24Å; F1136-H1141 WeakPolarHBondContact CA-O 3.29Å; F1136-H1141 HydrophobicContact CD1-CB 3.94Å; F1136-H1141 HydrophobicContact CE1-CB 4.32Å; F1136-L1143 HydrophobicContact CD1-CD2 4.24Å; F1136-L1143 HydrophobicContact CD1-CG 3.88Å; F1136-L1143 HydrophobicContact CE1-CD2 3.73Å; F1136-L1143 HydrophobicContact CE1-CG 3.88Å; F1136-L1143 HydrophobicContact CG-CG 4.26Å; F1136-L1143 HydrophobicContact CZ-CD2 3.97Å; F1136-L1143 HydrophobicContact CZ-CG 4.28Å; F1136-L1155 CarbonylContact O-C 3.56Å; F1136-L1155 WeakPolarHBondContact O-CA 3.38Å; F1136-L1156 HydrophobicContact CB-CB 4.32Å; F1136-L1156 HydrophobicContact CB-CD1 4.04Å; F1136-L1156 HydrophobicContact CD2-CD1 4.38Å; F1136-L1156 PolarHBondContact O-N 3.01Å | ||
| 1137 | D | 84.7 | Confident | 70.2 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 10% | 0.096 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -92 | -0.4 | -174.2 | 63.9 | -2.7 | 0 | 0 | 0 | 114.5 | V1135 K1139 N1140 H1141 | V1135-D1137 VanDerWaalsContact C-N 3.31Å; V1135-D1137 HydrophobicContact CG1-CB 4.07Å; V1135-D1137 PolarHBondContact O-N 2.88Å; D1137-K1139 PolarHBondContact O-N 3.13Å; D1137-K1139 WeakPolarHBondContact OD1-CA 3.29Å; D1137-K1139 PolarHBondContact OD1-N 3.47Å; D1137-N1140 PolarHBondContact OD1-N 3.04Å; D1137-N1140 PolarHBondContact OD1-ND2 2.92Å; D1137-N1140 PolarHBondContact OD2-ND2 3.32Å; D1137-H1141 PolarHBondContact N-O 2.81Å |
| 1138 | G | 82.6 | Confident | 71.5 | Confident | 2 Ų | 2 | 68 Ų | 68 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 75.5 | 3.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1108 T1113 H1141 | T1108-G1138 WeakPolarHBondContact O-CA 3.45Å; T1113-G1138 PolarHBondContact OG1-O 2.85Å; G1138-H1141 PolarHBondContact N-O 3.34Å |
| 1139 | K | 82.2 | Confident | 72.7 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -105.8 | -40.7 | 170.3 | -64.7 | -179.3 | 178.1 | 178.6 | 0 | 111.9 | V1101 D1137 | V1101-K1139 WeakPolarHBondContact CB-O 3.49Å; D1137-K1139 PolarHBondContact O-N 3.13Å; D1137-K1139 WeakPolarHBondContact OD1-CA 3.29Å; D1137-K1139 PolarHBondContact OD1-N 3.47Å |
| 1140 | N | 81.3 | Confident | 74.3 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -103 | -55.1 | -179.4 | -60.7 | -62.6 | 0 | 0 | 0 | 110.8 | V1101 D1137 | V1101-N1140 PolarHBondContact N-O 3.05Å; D1137-N1140 PolarHBondContact OD1-N 3.04Å; D1137-N1140 PolarHBondContact OD1-ND2 2.92Å; D1137-N1140 PolarHBondContact OD2-ND2 3.32Å |
| 1141 | H | 85.6 | Confident | 76 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.5 | 178.8 | -49.1 | 79.8 | 0 | 0 | 0 | 110.4 | V1099 Y1134 V1135 F1136 D1137 G1138 | V1099-H1141 CarbonylContact O-C 3.57Å; V1099-H1141 VanDerWaalsContact O-CA 3.3Å; V1099-H1141 WeakPolarHBondContact O-CA 3.35Å; Y1134-H1141 AromaticContact CD1-CD2 3.88Å; V1135-H1141 VanDerWaalsContact O-CB 3.32Å; V1135-H1141 WeakPolarHBondContact O-CB 3.2Å; V1135-H1141 PolarHBondContact O-N 3.44Å; V1135-H1141 VanDerWaalsContact O-N 3.17Å; V1135-H1141 PolarHBondContact O-ND1 2.95Å; F1136-H1141 CarbonylContact C-O 2.97Å; F1136-H1141 VanDerWaalsContact C-O 3.24Å; F1136-H1141 WeakPolarHBondContact CA-O 3.29Å; F1136-H1141 HydrophobicContact CD1-CB 3.94Å; F1136-H1141 HydrophobicContact CE1-CB 4.32Å; D1137-H1141 PolarHBondContact N-O 2.81Å; G1138-H1141 PolarHBondContact N-O 3.34Å |
| 1142 | L | 88 | Confident | 78.2 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 162.1 | 165.7 | 67.9 | 141.9 | 0 | 0 | 0 | 110.5 | G1098 V1099 V1101 W1107 T1108 Y1144 A1153 L1155 | G1098-L1142 WeakPolarHBondContact CA-O 3.33Å; V1099-L1142 HydrophobicContact CB-CD2 4.48Å; V1099-L1142 PolarHBondContact N-O 3.48Å; V1099-L1142 PolarHBondContact O-N 3.49Å; V1101-L1142 HydrophobicContact CG2-CD2 3.65Å; W1107-L1142 WeakPolarHBondContact O-CD1 3.33Å; T1108-L1142 HydrophobicContact CG2-CD2 4.08Å; L1142-Y1144 HydrophobicContact CD1-CD2 4.13Å; L1142-A1153 HydrophobicContact CD1-CB 3.81Å; L1142-L1155 HydrophobicContact CB-CD2 3.77Å |
| 1143 | L | 89.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.2 | 161.9 | -67.7 | 169.1 | 0 | 0 | 0 | 107.4 | L1092 E1097 F1136 F1154 | L1092-L1143 HydrophobicContact CB-CD1 3.94Å; L1092-L1143 HydrophobicContact CD2-CD1 4Å; L1092-L1143 HydrophobicContact CG-CD1 4.45Å; E1097-L1143 CarbonylContact O-C 3.59Å; E1097-L1143 WeakPolarHBondContact O-CA 3.13Å; F1136-L1143 HydrophobicContact CD1-CD2 4.24Å; F1136-L1143 HydrophobicContact CD1-CG 3.88Å; F1136-L1143 HydrophobicContact CE1-CD2 3.73Å; F1136-L1143 HydrophobicContact CE1-CG 3.88Å; F1136-L1143 HydrophobicContact CG-CG 4.26Å; F1136-L1143 HydrophobicContact CZ-CD2 3.97Å; F1136-L1143 HydrophobicContact CZ-CG 4.28Å; L1143-F1154 HydrophobicContact CB-CB 3.96Å; L1143-F1154 HydrophobicContact CB-CD2 4.37Å; L1143-F1154 PolarHBondContact N-O 3.16Å; L1143-F1154 WeakPolarHBondContact O-CD2 3.48Å; L1143-F1154 PolarHBondContact O-N 3.16Å |
| 1144 | Y | 88.2 | Confident | 81.5 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.3 | -175.3 | -179.8 | -98.6 | 0 | 0 | 0 | 111 | G1096 E1097 L1106 L1142 S1146 E1151 | G1096-Y1144 CarbonylContact C-O 3.27Å; G1096-Y1144 VanDerWaalsContact CA-O 3.23Å; G1096-Y1144 WeakPolarHBondContact CA-O 3.46Å; E1097-Y1144 PolarHBondContact N-O 3.4Å; E1097-Y1144 PolarHBondContact O-N 3.07Å; L1106-Y1144 HydrophobicContact CB-CD2 4.27Å; L1106-Y1144 HydrophobicContact CB-CE2 3.96Å; L1106-Y1144 HydrophobicContact CD1-CD1 4.08Å; L1106-Y1144 HydrophobicContact CD1-CD2 4.05Å; L1106-Y1144 HydrophobicContact CD1-CE1 4.08Å; L1106-Y1144 HydrophobicContact CD1-CE2 4.03Å; L1106-Y1144 HydrophobicContact CD1-CG 4.06Å; L1106-Y1144 HydrophobicContact CD2-CE1 4.09Å; L1106-Y1144 HydrophobicContact CD2-CE2 3.73Å; L1106-Y1144 VanDerWaalsContact CD2-CZ 3.43Å; L1106-Y1144 VanDerWaalsContact CD2-OH 3.26Å; L1106-Y1144 WeakPolarHBondContact CD2-OH 3.24Å; L1106-Y1144 HydrophobicContact CG-CE2 4.13Å; L1142-Y1144 HydrophobicContact CD1-CD2 4.13Å; Y1144-S1146 WeakPolarHBondContact OH-CB 3.22Å; Y1144-E1151 HydrophobicContact CE2-CB 4.17Å; Y1144-E1151 HydrophobicContact CE2-CG 4.38Å; Y1144-E1151 WeakPolarHBondContact OH-CG 3.04Å |
| 1145 | W | 85.8 | Confident | 82.5 | Confident | 54 Ų | 54 | 23.3 Ų | 23.3 | 21% | 0.205 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 145.5 | 167.8 | -175.4 | 86.7 | 0 | 0 | 0 | 109.6 | M1152 F1154 R1300 L1304 | W1145-M1152 HydrophobicContact CE3-CB 4.44Å; W1145-M1152 HydrophobicContact CE3-CE 4.48Å; W1145-M1152 HydrophobicContact CE3-CG 4.09Å; W1145-M1152 HydrophobicContact CE3-SD 3.88Å; W1145-M1152 HydrophobicContact CZ3-CE 4.23Å; W1145-M1152 HydrophobicContact CZ3-SD 4.18Å; W1145-M1152 PolarHBondContact N-O 2.67Å; W1145-M1152 WeakPolarHBondContact O-CA 3.3Å; W1145-M1152 WeakPolarHBondContact O-CB 3.48Å; W1145-M1152 PolarHBondContact O-N 2.96Å; W1145-F1154 HydrophobicContact CB-CE2 3.82Å; W1145-R1300 HydrophobicContact CD2-CG 4.48Å; W1145-R1300 VanDerWaalsContact CE2-CD 3.44Å; W1145-R1300 VanDerWaalsContact CG-CD 3.48Å; W1145-L1304 HydrophobicContact CH2-CD1 3.91Å; W1145-L1304 HydrophobicContact CZ3-CD1 4.07Å; W1145-L1304 HydrophobicContact CZ3-CD2 4.21Å; W1145-L1304 HydrophobicContact CZ3-CG 4.27Å |
| 1146 | S | 77.5 | Confident | 83.1 | Confident | 36 Ų | 36 | 22.1 Ų | 22.1 | 25% | 0.252 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 160.9 | 176 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | Y1144 V1150 | Y1144-S1146 WeakPolarHBondContact OH-CB 3.22Å; S1146-V1150 CarbonylContact C-O 3.47Å; S1146-V1150 WeakPolarHBondContact CA-O 3.3Å |
| 1147 | S | 69.5 | Low | 83.3 | Confident | 11 Ų | 11 | 21.1 Ų | 21.1 | 8% | 0.077 | 11% | 0.111 | C | C | . | . | trans | -129.6 | 170.6 | 170.8 | 66.6 | 0 | 0 | 0 | 0 | 108 | S1149 V1150 | S1147-S1149 PolarHBondContact O-N 3.32Å; S1147-S1149 VanDerWaalsContact O-N 3.09Å; S1147-V1150 PolarHBondContact N-O 2.54Å; S1147-V1150 PolarHBondContact O-N 3.01Å; S1147-V1150 WeakPolarHBondContact OG-CB 3.41Å; S1147-V1150 PolarHBondContact OG-N 3.3Å; S1147-V1150 PolarHBondContact OG-O 2.76Å; S1147-V1150 VanDerWaalsContact OG-O 3.12Å | ||
| 1148 | P | 61.3 | Low | 83.4 | Confident | 14 Ų | 14 | 20.3 Ų | 20.3 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -50.3 | -39.2 | 176.7 | -30.7 | 37.8 | 0 | 0 | 0 | 113.3 | I757 R814 F819 | I757-P1148 HydrophobicContact CD1-CB 4.08Å; I757-P1148 HydrophobicContact CG2-CB 4.06Å; I757-P1148 HydrophobicContact CG2-CG 3.79Å; R814-P1148 PolarHBondContact NH1-O 3.01Å; R814-P1148 PolarHBondContact NH2-O 2.93Å; F819-P1148 HydrophobicContact CD1-CB 4.3Å; F819-P1148 HydrophobicContact CD1-CG 4.15Å; F819-P1148 HydrophobicContact CD2-CG 3.72Å; F819-P1148 HydrophobicContact CE1-CB 3.94Å; F819-P1148 HydrophobicContact CE1-CG 4.11Å; F819-P1148 HydrophobicContact CE2-CB 4.22Å; F819-P1148 HydrophobicContact CE2-CG 3.65Å; F819-P1148 HydrophobicContact CG-CG 3.98Å; F819-P1148 HydrophobicContact CZ-CB 3.88Å; F819-P1148 HydrophobicContact CZ-CG 3.85Å |
| 1149 | S | 64 | Low | 83.4 | Confident | 43 Ų | 43 | 23.6 Ų | 23.6 | 30% | 0.301 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -101.8 | -17.5 | -175.1 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | H1055 S1147 | H1055-S1149 WeakPolarHBondContact CB-O 3.5Å; H1055-S1149 PolarHBondContact CD2-O 3.21Å; H1055-S1149 PolarHBondContact N-O 3.24Å; S1147-S1149 PolarHBondContact O-N 3.32Å; S1147-S1149 VanDerWaalsContact O-N 3.09Å |
| 1150 | V | 73.2 | Confident | 83 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 136.3 | -170.1 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | H1055 S1146 S1147 M1152 L1304 | H1055-V1150 HydrophobicContact CB-CB 4.5Å; H1055-V1150 HydrophobicContact CB-CG1 4.41Å; H1055-V1150 HydrophobicContact CB-CG2 4.16Å; H1055-V1150 CarbonylContact O-C 3.6Å; H1055-V1150 VanDerWaalsContact O-CA 3.26Å; H1055-V1150 WeakPolarHBondContact O-CA 3.13Å; S1146-V1150 CarbonylContact C-O 3.47Å; S1146-V1150 WeakPolarHBondContact CA-O 3.3Å; S1147-V1150 PolarHBondContact N-O 2.54Å; S1147-V1150 PolarHBondContact O-N 3.01Å; S1147-V1150 WeakPolarHBondContact OG-CB 3.41Å; S1147-V1150 PolarHBondContact OG-N 3.3Å; S1147-V1150 PolarHBondContact OG-O 2.76Å; S1147-V1150 VanDerWaalsContact OG-O 3.12Å; V1150-M1152 HydrophobicContact CG1-CE 4.08Å; V1150-M1152 HydrophobicContact CG1-CG 4.22Å; V1150-L1304 HydrophobicContact CB-CD2 3.58Å; V1150-L1304 HydrophobicContact CG1-CD2 3.99Å; V1150-L1304 HydrophobicContact CG2-CD2 3.51Å |
| 1151 | E | 79.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.2 | 165 | -62 | 180 | -165.1 | 0 | 0 | 110.2 | R1054 H1055 V1056 S1057 W1107 Y1115 Y1144 | R1054-E1151 HydrophobicContact CB-CG 3.93Å; R1054-E1151 IonicContact CZ-OE1 3.68Å; R1054-E1151 IonicContact NE-OE1 2.65Å; R1054-E1151 PolarHBondContact NE-OE1 2.01Å; R1054-E1151 IonicContact NH2-OE1 2.75Å; R1054-E1151 PolarHBondContact NH2-OE1 3.34Å; H1055-E1151 PolarHBondContact O-N 3.48Å; V1056-E1151 CarbonylContact C-O 3.54Å; V1056-E1151 WeakPolarHBondContact CA-O 3.46Å; S1057-E1151 PolarHBondContact N-O 2.8Å; W1107-E1151 HydrophobicContact CB-CB 4.1Å; W1107-E1151 WeakPolarHBondContact CB-OE2 3.34Å; W1107-E1151 PolarHBondContact N-OE2 3.11Å; W1107-E1151 VanDerWaalsContact N-OE2 3.12Å; Y1115-E1151 PolarHBondContact OH-OE2 3.13Å; Y1144-E1151 HydrophobicContact CE2-CB 4.17Å; Y1144-E1151 HydrophobicContact CE2-CG 4.38Å; Y1144-E1151 WeakPolarHBondContact OH-CG 3.04Å |
| 1152 | M | 88.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.7 | 179.3 | -62.7 | -168.4 | 177.3 | 0 | 0 | 110.7 | S1057 W1145 V1150 F1154 V1303 L1304 | S1057-M1152 WeakPolarHBondContact O-CA 3.43Å; W1145-M1152 HydrophobicContact CE3-CB 4.44Å; W1145-M1152 HydrophobicContact CE3-CE 4.48Å; W1145-M1152 HydrophobicContact CE3-CG 4.09Å; W1145-M1152 HydrophobicContact CE3-SD 3.88Å; W1145-M1152 HydrophobicContact CZ3-CE 4.23Å; W1145-M1152 HydrophobicContact CZ3-SD 4.18Å; W1145-M1152 PolarHBondContact N-O 2.67Å; W1145-M1152 WeakPolarHBondContact O-CA 3.3Å; W1145-M1152 WeakPolarHBondContact O-CB 3.48Å; W1145-M1152 PolarHBondContact O-N 2.96Å; V1150-M1152 HydrophobicContact CG1-CE 4.08Å; V1150-M1152 HydrophobicContact CG1-CG 4.22Å; M1152-F1154 HydrophobicContact CB-CE2 3.87Å; M1152-F1154 HydrophobicContact CB-CZ 4.03Å; M1152-F1154 HydrophobicContact SD-CZ 3.96Å; M1152-V1303 HydrophobicContact CE-CB 3.98Å; M1152-V1303 HydrophobicContact CE-CG1 3.63Å; M1152-V1303 HydrophobicContact SD-CB 4.19Å; M1152-V1303 HydrophobicContact SD-CG1 3.81Å; M1152-L1304 HydrophobicContact CE-CB 4.08Å; M1152-L1304 HydrophobicContact CE-CD2 3.36Å; M1152-L1304 HydrophobicContact CE-CG 3.34Å |
| 1153 | A | 91.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | S1057 T1058 V1059 L1142 | S1057-A1153 PolarHBondContact O-N 2.84Å; T1058-A1153 WeakPolarHBondContact CA-O 2.98Å; V1059-A1153 PolarHBondContact N-O 3.49Å; L1142-A1153 HydrophobicContact CD1-CB 3.81Å |
| 1154 | F | 95.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117 | 168.4 | -51.2 | -96 | 0 | 0 | 0 | 108.6 | V1059 I1061 L1095 L1143 W1145 M1152 R1300 | V1059-F1154 HydrophobicContact CB-CD1 3.56Å; V1059-F1154 HydrophobicContact CB-CE1 3.92Å; V1059-F1154 HydrophobicContact CB-CG 4.41Å; V1059-F1154 HydrophobicContact CG1-CD1 3.88Å; V1059-F1154 HydrophobicContact CG1-CE1 4.23Å; V1059-F1154 HydrophobicContact CG2-CD1 3.96Å; V1059-F1154 HydrophobicContact CG2-CE1 3.77Å; V1059-F1154 WeakPolarHBondContact O-CA 3.44Å; I1061-F1154 HydrophobicContact CD1-CB 3.96Å; I1061-F1154 HydrophobicContact CD1-CD1 4.26Å; L1095-F1154 HydrophobicContact CB-CD2 4.36Å; L1095-F1154 HydrophobicContact CB-CG 4.43Å; L1095-F1154 HydrophobicContact CD1-CD1 4.04Å; L1095-F1154 HydrophobicContact CD1-CG 4.3Å; L1095-F1154 HydrophobicContact CD2-CD1 4.19Å; L1095-F1154 HydrophobicContact CD2-CE1 3.92Å; L1095-F1154 HydrophobicContact CD2-CZ 4.35Å; L1143-F1154 HydrophobicContact CB-CB 3.96Å; L1143-F1154 HydrophobicContact CB-CD2 4.37Å; L1143-F1154 PolarHBondContact N-O 3.16Å; L1143-F1154 WeakPolarHBondContact O-CD2 3.48Å; L1143-F1154 PolarHBondContact O-N 3.16Å; W1145-F1154 HydrophobicContact CB-CE2 3.82Å; M1152-F1154 HydrophobicContact CB-CE2 3.87Å; M1152-F1154 HydrophobicContact CB-CZ 4.03Å; M1152-F1154 HydrophobicContact SD-CZ 3.96Å; F1154-R1300 HydrophobicContact CZ-CG 3.93Å |
| 1155 | L | 94.4 | Very high | 75.1 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.4 | -176.4 | -60.1 | -171.4 | 0 | 0 | 0 | 110.5 | T1058 V1059 H1060 I1061 F1136 L1142 P1157 | T1058-L1155 HydrophobicContact CG2-CD1 3.92Å; T1058-L1155 HydrophobicContact CG2-CG 4.09Å; V1059-L1155 PolarHBondContact O-N 3.08Å; H1060-L1155 CarbonylContact C-O 3.46Å; H1060-L1155 WeakPolarHBondContact CA-O 3.33Å; I1061-L1155 PolarHBondContact N-O 2.97Å; F1136-L1155 CarbonylContact O-C 3.56Å; F1136-L1155 WeakPolarHBondContact O-CA 3.38Å; L1142-L1155 HydrophobicContact CB-CD2 3.77Å; L1155-P1157 WeakPolarHBondContact O-CD 3.34Å |
| 1156 | L | 94.2 | Very high | 72.6 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | trans | -112.1 | 94.4 | 171 | -78.4 | 71.3 | 0 | 0 | 0 | 108.1 | I1061 V1081 F1088 L1092 F1136 | I1061-L1156 HydrophobicContact CB-CD1 4.06Å; I1061-L1156 HydrophobicContact CB-CG 4.16Å; I1061-L1156 HydrophobicContact CD1-CD1 4.29Å; V1081-L1156 HydrophobicContact CG1-CD2 4.49Å; V1081-L1156 HydrophobicContact CG2-CD2 4.33Å; F1088-L1156 HydrophobicContact CE1-CD2 4.34Å; F1088-L1156 HydrophobicContact CZ-CD2 4.18Å; L1092-L1156 HydrophobicContact CD1-CD2 3.91Å; L1092-L1156 HydrophobicContact CD2-CD1 4.04Å; F1136-L1156 HydrophobicContact CB-CB 4.32Å; F1136-L1156 HydrophobicContact CB-CD1 4.04Å; F1136-L1156 HydrophobicContact CD2-CD1 4.38Å; F1136-L1156 PolarHBondContact O-N 3.01Å | ||
| 1157 | P | 91.8 | Very high | 70.6 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | trans | -58.1 | 140.1 | 178.9 | -23.9 | 34.8 | 0 | 0 | 0 | 111.9 | H1060 F1062 L1075 S1078 L1155 T1161 T1239 | H1060-P1157 HydrophobicContact CB-CG 4.21Å; F1062-P1157 HydrophobicContact CE1-CB 3.86Å; F1062-P1157 HydrophobicContact CE1-CG 3.8Å; F1062-P1157 HydrophobicContact CZ-CB 4.25Å; F1062-P1157 HydrophobicContact CZ-CG 3.8Å; L1075-P1157 HydrophobicContact CD2-CB 3.98Å; L1075-P1157 WeakPolarHBondContact CD2-O 3.11Å; S1078-P1157 VanDerWaalsContact CB-O 3.31Å; S1078-P1157 WeakPolarHBondContact CB-O 3.34Å; S1078-P1157 PolarHBondContact OG-O 2.61Å; L1155-P1157 WeakPolarHBondContact O-CD 3.34Å; P1157-T1161 HydrophobicContact CB-CG2 4.49Å; P1157-T1239 HydrophobicContact CG-CG2 4.47Å | ||
| 1158 | S | 87.3 | Confident | 68.9 | Low | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | trans | -123 | 178.6 | -177.4 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | S1078 A1160 T1161 | S1078-S1158 WeakPolarHBondContact OG-CA 3.09Å; S1078-S1158 WeakPolarHBondContact OG-CB 3.42Å; S1158-A1160 PolarHBondContact O-N 3.4Å; S1158-A1160 PolarHBondContact OG-N 2.93Å; S1158-T1161 PolarHBondContact N-OG1 3.35Å; S1158-T1161 VanDerWaalsContact O-CB 3.31Å; S1158-T1161 WeakPolarHBondContact O-CB 3.41Å; S1158-T1161 PolarHBondContact O-N 2.86Å; S1158-T1161 VanDerWaalsContact O-N 3.15Å; S1158-T1161 PolarHBondContact O-OG1 2.97Å; S1158-T1161 PolarHBondContact OG-OG1 3.45Å | ||
| 1159 | T | 82.9 | Confident | 67.9 | Low | 71 Ų | 71 | 55 Ų | 55 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.5 | 176.3 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | L1075 E1079 T1161 | L1075-T1159 HydrophobicContact CB-CG2 3.79Å; E1079-T1159 VanDerWaalsContact OE1-CB 3.23Å; E1079-T1159 WeakPolarHBondContact OE1-CB 3.46Å; E1079-T1159 WeakPolarHBondContact OE1-CG2 3.12Å; E1079-T1159 PolarHBondContact OE1-N 3.24Å; E1079-T1159 PolarHBondContact OE1-OG1 2.87Å; T1159-T1161 VanDerWaalsContact C-N 3.35Å |
| 1160 | A | 72.4 | Confident | 66.9 | Low | 59 Ų | 59 | 56.4 Ų | 56.4 | 49% | 0.488 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1158 N1162 | S1158-A1160 PolarHBondContact O-N 3.4Å; S1158-A1160 PolarHBondContact OG-N 2.93Å; A1160-N1162 PolarHBondContact O-N 3.42Å |
| 1161 | T | 73.8 | Confident | 65.5 | Low | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.153 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -66.6 | 100.1 | 169.3 | -51.3 | 0 | 0 | 0 | 0 | 107.5 | P1157 S1158 T1159 R1163 Y1238 | P1157-T1161 HydrophobicContact CB-CG2 4.49Å; S1158-T1161 PolarHBondContact N-OG1 3.35Å; S1158-T1161 VanDerWaalsContact O-CB 3.31Å; S1158-T1161 WeakPolarHBondContact O-CB 3.41Å; S1158-T1161 PolarHBondContact O-N 2.86Å; S1158-T1161 VanDerWaalsContact O-N 3.15Å; S1158-T1161 PolarHBondContact O-OG1 2.97Å; S1158-T1161 PolarHBondContact OG-OG1 3.45Å; T1159-T1161 VanDerWaalsContact C-N 3.35Å; T1161-R1163 PolarHBondContact O-N 3.3Å; T1161-Y1238 WeakPolarHBondContact O-CD1 3.37Å |
| 1162 | N | 58.7 | Low | 64.2 | Low | 88 Ų | 88 | 62.3 Ų | 62.3 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | trans | -51.2 | 131.6 | -176.1 | -97.4 | -9.8 | 0 | 0 | 0 | 110.9 | A1160 F1164 | A1160-N1162 PolarHBondContact O-N 3.42Å; N1162-F1164 PolarHBondContact O-N 3.23Å | ||
| 1163 | R | 51.2 | Low | 62.6 | Low | 152 Ų | 152 | 65.5 Ų | 65.5 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | trans | -65 | 101.8 | 156.1 | -61.9 | -172.1 | -168.3 | -156 | 8.9 | 105.4 | T1161 G1165 E1237 Y1238 | T1161-R1163 PolarHBondContact O-N 3.3Å; R1163-G1165 PolarHBondContact O-N 3.06Å; R1163-E1237 IonicContact CZ-OE2 3.71Å; R1163-E1237 IonicContact NH1-OE2 3.59Å; R1163-E1237 PolarHBondContact NH1-OE2 3.05Å; R1163-Y1238 HydrophobicContact CG-CE1 3.88Å; R1163-Y1238 VanDerWaalsContact CZ-OH 3.28Å; R1163-Y1238 PolarHBondContact NE-OH 3.27Å; R1163-Y1238 PolarHBondContact NH2-OH 3.33Å | ||
| 1164 | F | 46.7 | Very low | 60.6 | Low | 83 Ų | 83 | 66.1 Ų | 66.1 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -67 | 81.2 | 173.8 | -76.8 | -69.8 | 0 | 0 | 0 | 109.2 | H1110 N1162 H1170 D1240 | H1110-F1164 AromaticContact NE2-CE2 3.81Å; N1162-F1164 PolarHBondContact O-N 3.23Å; F1164-H1170 AromaticContact CE1-CD2 3.45Å; F1164-H1170 VanDerWaalsContact CE1-CD2 3.45Å; F1164-H1170 WeakPolarHBondContact CE1-CD2 3.34Å; F1164-H1170 AromaticContact CE1-NE2 3.79Å; F1164-D1240 HydrophobicContact CD2-CB 4.46Å | ||
| 1165 | G | 36.1 | Very low | 58.1 | Low | 58 Ų | 58 | 71.6 Ų | 71.6 | 60% | 0.598 | 42% | 0.418 | S | S | * | . | trans | -76.3 | 128.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R1163 G1167 | R1163-G1165 PolarHBondContact O-N 3.06Å; G1165-G1167 PolarHBondContact O-N 3.4Å | ||
| 1166 | V | 34.6 | Very low | 55.6 | Low | 161 Ų | 161 | 78.2 Ų | 78.2 | 98% | 0.976 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -24.4 | 98.3 | 169.7 | -170.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1167 | G | 34.9 | Very low | 52.6 | Low | 74 Ų | 74 | 85.9 Ų | 85.9 | 76% | 0.763 | 48% | 0.482 | S | S | * | . | trans | 179.8 | -34.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | G1165 | G1165-G1167 PolarHBondContact O-N 3.4Š| ||
| 1168 | E | 34 | Very low | 49.5 | Very low | 139 Ų | 139 | 94.8 Ų | 94.8 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | trans | -114.6 | 131.2 | -174.8 | -69.4 | -174.7 | 164.1 | 0 | 0 | 113.2 | H1170 | E1168-H1170 PolarHBondContact O-N 3.48Å; E1168-H1170 IonicContact OE2-NE2 3.63Å; E1168-H1170 PolarHBondContact OE2-NE2 3.2Å | ||
| 1169 | D | 40.7 | Very low | 46.7 | Very low | 171 Ų | 171 | 98.4 Ų | 98.4 | 91% | 0.914 | 55% | 0.546 | S | S | * | . | trans | -71.3 | 63.1 | 176.2 | -80.1 | -29.7 | 0 | 0 | 0 | 111.1 | ||||
| 1170 | H | 41.7 | Very low | 43.9 | Very low | 72 Ų | 72 | 99.7 Ų | 99.7 | 33% | 0.333 | 56% | 0.557 | S | S | . | * | trans | -72.4 | 144.8 | 166.5 | -71.8 | -59.3 | 0 | 0 | 0 | 110.5 | F1164 E1168 T1172 | F1164-H1170 AromaticContact CE1-CD2 3.45Å; F1164-H1170 VanDerWaalsContact CE1-CD2 3.45Å; F1164-H1170 WeakPolarHBondContact CE1-CD2 3.34Å; F1164-H1170 AromaticContact CE1-NE2 3.79Å; E1168-H1170 PolarHBondContact O-N 3.48Å; E1168-H1170 IonicContact OE2-NE2 3.63Å; E1168-H1170 PolarHBondContact OE2-NE2 3.2Å; H1170-T1172 PolarHBondContact O-N 2.92Å | ||
| 1171 | P | 45 | Very low | 41.7 | Very low | 66 Ų | 66 | 102.4 Ų | 102.4 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | trans | -60.6 | 98.1 | -179.4 | 23.2 | -32.1 | 0 | 0 | 0 | 110 | ||||
| 1172 | T | 53.1 | Low | 39.5 | Very low | 66 Ų | 66 | 109.5 Ų | 109.5 | 41% | 0.405 | 60% | 0.602 | S | S | . | * | trans | -60.4 | 156.9 | 169.4 | 47.7 | 0 | 0 | 0 | 0 | 109.5 | H1170 K1244 | H1170-T1172 PolarHBondContact O-N 2.92Å; T1172-K1244 HydrophobicContact CG2-CD 3.52Å; T1172-K1244 HydrophobicContact CG2-CG 4.12Å | ||
| 1173 | R | 53.7 | Low | 38.1 | Very low | 66 Ų | 66 | 110.6 Ų | 110.6 | 25% | 0.249 | 61% | 0.613 | C | S | . | * | S | Bend | trans | -29.9 | 131.2 | 167.9 | 179.8 | -170.2 | -174.3 | 151.5 | 19.7 | 111 | W1111 E1243 | W1111-R1173 HydrophobicContact CD2-CB 4.08Å; W1111-R1173 HydrophobicContact CD2-CG 4.14Å; W1111-R1173 HydrophobicContact CG-CB 4.05Å; W1111-R1173 HydrophobicContact CZ2-CG 4.14Å; R1173-E1243 IonicContact CZ-OE1 2.98Å; R1173-E1243 IonicContact NH1-OE1 3.32Å; R1173-E1243 PolarHBondContact NH1-OE1 2.99Å |
| 1174 | P | 51.2 | Low | 37 | Very low | 13 Ų | 13 | 111 Ų | 111 | 8% | 0.084 | 63% | 0.627 | C | S | . | * | trans | -44 | 128.4 | 179.1 | -30 | 33.7 | 0 | 0 | 0 | 111.2 | A1047 R1050 L1051 R1176 | A1047-P1174 HydrophobicContact CB-CB 4.24Å; A1047-P1174 WeakPolarHBondContact O-CG 3.47Å; R1050-P1174 HydrophobicContact CB-CG 4.21Å; L1051-P1174 HydrophobicContact CD2-CB 4.45Å; P1174-R1176 PolarHBondContact O-N 3.32Å | ||
| 1175 | P | 42.3 | Very low | 35.9 | Very low | 116 Ų | 116 | 113.6 Ų | 113.6 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -59.3 | 114.7 | -178.3 | 21.9 | -30.4 | 0 | 0 | 0 | 108.9 | L1177 | P1175-L1177 PolarHBondContact O-N 3.4Š| ||
| 1176 | R | 40.7 | Very low | 35.5 | Very low | 151 Ų | 151 | 118.1 Ų | 118.1 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | trans | -65.2 | 107 | 163.8 | -74.4 | -175.1 | 180 | -157.4 | -2.8 | 106.1 | P1174 K1178 | P1174-R1176 PolarHBondContact O-N 3.32Å; R1176-K1178 PolarHBondContact O-N 3.37Å | ||
| 1177 | L | 31.4 | Very low | 35 | Very low | 166 Ų | 166 | 116.9 Ų | 116.9 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | trans | -31.7 | 103.9 | 177.8 | -85.4 | 154.5 | 0 | 0 | 0 | 110.2 | P1175 S1179 | P1175-L1177 PolarHBondContact O-N 3.4Å; L1177-S1179 PolarHBondContact O-N 2.84Å | ||
| 1178 | K | 27.9 | Very low | 34.6 | Very low | 192 Ų | 192 | 118 Ų | 118 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | trans | -76.8 | 106.4 | 162.6 | -72.2 | 176.1 | -177.1 | 167.3 | 0 | 103.1 | R1176 S1180 | R1176-K1178 PolarHBondContact O-N 3.37Å; K1178-S1180 VanDerWaalsContact C-N 3.3Å; K1178-S1180 PolarHBondContact O-N 2.99Å | ||
| 1179 | S | 26.6 | Very low | 34.2 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | -52.3 | 93.6 | 177.1 | 57.3 | 0 | 0 | 0 | 0 | 110 | L1177 | L1177-S1179 PolarHBondContact O-N 2.84Š| ||
| 1180 | S | 26 | Very low | 33.9 | Very low | 97 Ų | 97 | 113.9 Ų | 113.9 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | trans | -68.3 | 126.1 | 157.6 | 45.3 | 0 | 0 | 0 | 0 | 105.7 | K1178 F1182 | K1178-S1180 VanDerWaalsContact C-N 3.3Å; K1178-S1180 PolarHBondContact O-N 2.99Å; S1180-F1182 PolarHBondContact O-N 3.11Å | ||
| 1181 | S | 26.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -39.2 | 110.3 | 178.9 | 48 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1182 | F | 26.2 | Very low | 32 | Very low | 175 Ų | 175 | 120.8 Ų | 120.8 | 77% | 0.768 | 70% | 0.703 | S | S | * | * | trans | -64.5 | 137.4 | 165.3 | -77.4 | -88.3 | 0 | 0 | 0 | 108.3 | S1180 D1184 | S1180-F1182 PolarHBondContact O-N 3.11Å; F1182-D1184 PolarHBondContact O-N 3.34Å | ||
| 1183 | P | 30 | Very low | 30.7 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -72.3 | 122.9 | 174.3 | 1.3 | 14.6 | 0 | 0 | 0 | 108.4 | T1185 | P1183-T1185 PolarHBondContact O-N 2.84Š| ||
| 1184 | D | 27.4 | Very low | 29.2 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -55.9 | 102.6 | 176 | -65.8 | -45.2 | 0 | 0 | 0 | 110.4 | F1182 D1186 | F1182-D1184 PolarHBondContact O-N 3.34Å; D1184-D1186 PolarHBondContact O-N 3.11Å | ||
| 1185 | T | 24.9 | Very low | 27.9 | Very low | 137 Ų | 137 | 139 Ų | 139 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -89.4 | 81.7 | 167.1 | 42 | 0 | 0 | 0 | 0 | 108.8 | P1183 | P1183-T1185 PolarHBondContact O-N 2.84Š| ||
| 1186 | D | 26 | Very low | 27 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 130.1 | 159.6 | -94.6 | -23.6 | 0 | 0 | 0 | 110 | D1184 | D1184-D1186 PolarHBondContact O-N 3.11Š| ||
| 1187 | T | 25.3 | Very low | 26.2 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -56.5 | 136.8 | -177.9 | 16.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1188 | A | 25.3 | Very low | 26 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 69 | 91.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1189 | A | 27 | Very low | 25.9 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | -173.1 | 136.7 | 125.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1190 | P | 34.7 | Very low | 25.8 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | -92.3 | 125.7 | -168.9 | 34.6 | -30 | 0 | 0 | 0 | 112.3 | ||||
| 1191 | S | 24.3 | Very low | 25.9 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -173.1 | 113.2 | 138.8 | 34.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1192 | L | 21.5 | Very low | 25.9 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | trans | -70.9 | 122.2 | 174.6 | -77.7 | 146.6 | 0 | 0 | 0 | 110.7 | ||||
| 1193 | T | 25.8 | Very low | 25.9 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 87% | 0.871 | 83% | 0.833 | S | S | * | * | trans | -143.6 | 109.4 | 140.6 | 35.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1194 | K | 22.5 | Very low | 25.8 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 85% | 0.852 | 84% | 0.84 | S | S | * | * | trans | -55.7 | 132.3 | 169.8 | -74.8 | 171.6 | 170.5 | 176.4 | 0 | 110.6 | ||||
| 1195 | Q | 23.5 | Very low | 25.7 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | trans | -157.1 | 104.9 | 145.9 | -108.2 | 170.2 | 21.9 | 0 | 0 | 111.8 | ||||
| 1196 | S | 24.1 | Very low | 25.7 | Very low | 101 Ų | 101 | 155.8 Ų | 155.8 | 71% | 0.706 | 84% | 0.841 | S | S | * | * | trans | 35.1 | 104.7 | 143 | 54.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1197 | S | 23.5 | Very low | 25.7 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | 26.3 | 98.4 | 125.8 | 64 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1198 | G | 26.4 | Very low | 25.8 | Very low | 81 Ų | 81 | 158.4 Ų | 158.4 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | -102.9 | 112.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111 | R1200 | G1198-R1200 PolarHBondContact O-N 3.25Š| ||
| 1199 | K | 26 | Very low | 26.1 | Very low | 208 Ų | 208 | 157.1 Ų | 157.1 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -68.6 | 116.9 | 177.9 | -72.9 | 172.9 | 176.4 | 171.9 | 0 | 110.5 | ||||
| 1200 | R | 24.4 | Very low | 26.5 | Very low | 243 Ų | 243 | 157.8 Ų | 157.8 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -87 | 115.9 | 170.7 | -163.1 | 173.2 | -177.1 | 176.6 | 1.3 | 109.5 | G1198 | G1198-R1200 PolarHBondContact O-N 3.25Š| ||
| 1201 | T | 28.4 | Very low | 26.7 | Very low | 134 Ų | 134 | 154.9 Ų | 154.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -63.8 | 124.3 | -175.3 | 22.7 | 0 | 0 | 0 | 0 | 113.1 | M1203 | T1201-M1203 PolarHBondContact O-N 2.89Š| ||
| 1202 | E | 27.4 | Very low | 28 | Very low | 176 Ų | 176 | 154.5 Ų | 154.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -75.4 | 114.6 | 178.6 | -69 | -174.6 | 145.1 | 0 | 0 | 112.3 | K1204 | E1202-K1204 PolarHBondContact O-N 3.5Å; E1202-K1204 VanDerWaalsContact O-N 3.16Å | ||
| 1203 | M | 25.6 | Very low | 29.8 | Very low | 177 Ų | 177 | 148 Ų | 148 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -75.9 | 99.1 | 173.1 | -159.2 | 167.3 | 176.6 | 0 | 0 | 110 | T1201 Q1205 | T1201-M1203 PolarHBondContact O-N 2.89Å; M1203-Q1205 PolarHBondContact O-N 3.24Å | ||
| 1204 | K | 26.8 | Very low | 32.1 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 70% | 0.704 | S | S | * | * | trans | -67.4 | 81.5 | 178.2 | -75.1 | 178.8 | 176.8 | 173.2 | 0 | 112.4 | E1202 | E1202-K1204 PolarHBondContact O-N 3.5Å; E1202-K1204 VanDerWaalsContact O-N 3.16Å | ||
| 1205 | Q | 26.4 | Very low | 35.1 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | trans | -81.2 | 117.7 | 159.5 | -85.1 | -178.7 | -16.2 | 0 | 0 | 110 | M1203 R1207 | M1203-Q1205 PolarHBondContact O-N 3.24Å; Q1205-R1207 PolarHBondContact O-N 2.87Å | ||
| 1206 | R | 25 | Very low | 38.4 | Very low | 252 Ų | 252 | 125.4 Ų | 125.4 | 95% | 0.951 | 63% | 0.627 | S | S | * | * | trans | -51.8 | 100.6 | 174.4 | -90.2 | 176.2 | 161.1 | 163.4 | -5.7 | 110.9 | V1208 | R1206-V1208 PolarHBondContact O-N 3.41Š| ||
| 1207 | R | 25.3 | Very low | 41.8 | Very low | 217 Ų | 217 | 120.6 Ų | 120.6 | 82% | 0.819 | 59% | 0.594 | S | S | * | * | trans | -79.5 | 107.6 | 169.3 | -69.7 | 179.7 | -174.4 | 157.6 | 5.1 | 108.9 | Q1205 | Q1205-R1207 PolarHBondContact O-N 2.87Š| ||
| 1208 | V | 27.4 | Very low | 45.3 | Very low | 126 Ų | 126 | 115 Ų | 115 | 76% | 0.764 | 56% | 0.555 | S | S | * | * | trans | -69.6 | 132.4 | 163 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | R1206 V1210 | R1206-V1208 PolarHBondContact O-N 3.41Å; V1208-V1210 PolarHBondContact O-N 2.94Å | ||
| 1209 | S | 31.3 | Very low | 48.7 | Very low | 71 Ų | 71 | 111.2 Ų | 111.2 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | trans | -65.4 | 114 | -179 | 52.1 | 0 | 0 | 0 | 0 | 110.6 | Y1211 | S1209-Y1211 PolarHBondContact O-N 2.93Š| ||
| 1210 | V | 35.7 | Very low | 52 | Low | 112 Ų | 112 | 101.5 Ų | 101.5 | 68% | 0.679 | 47% | 0.473 | S | S | * | . | trans | -80.6 | 7.7 | -177.3 | -177.9 | 0 | 0 | 0 | 0 | 112.7 | V1208 | V1208-V1210 PolarHBondContact O-N 2.94Š| ||
| 1211 | Y | 39.3 | Very low | 55.4 | Low | 65 Ų | 65 | 89.9 Ų | 89.9 | 26% | 0.255 | 43% | 0.429 | S | S | . | . | trans | -98.3 | 106 | 176.2 | -95.9 | -86.5 | 0 | 0 | 0 | 109.9 | S1209 S1245 Q1314 K1318 | S1209-Y1211 PolarHBondContact O-N 2.93Å; Y1211-S1245 WeakPolarHBondContact CB-OG 3.47Å; Y1211-Q1314 HydrophobicContact CE1-CG 4.43Å; Y1211-K1318 VanDerWaalsContact OH-CD 3.27Å; Y1211-K1318 WeakPolarHBondContact OH-CD 3.31Å; Y1211-K1318 WeakPolarHBondContact OH-CE 3.38Å; Y1211-K1318 PolarHBondContact OH-NZ 3.09Å | ||
| 1212 | Q | 50.7 | Low | 58.4 | Low | 112 Ų | 112 | 87 Ų | 87 | 52% | 0.523 | 41% | 0.406 | S | S | . | . | trans | -90.1 | 119.3 | 160.7 | -78.4 | 178 | -29.5 | 0 | 0 | 107.6 | Y1214 Q1314 | Q1212-Y1214 HydrophobicContact CB-CE2 4.37Å; Q1212-Y1214 PolarHBondContact O-N 3.38Å; Q1212-Q1314 PolarHBondContact O-NE2 3.27Å | ||
| 1213 | D | 60 | Low | 61.2 | Low | 26 Ų | 26 | 81.5 Ų | 81.5 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | trans | -84.7 | 105.7 | 175.4 | -174.9 | 24.6 | 0 | 0 | 0 | 109.2 | R1310 | D1213-R1310 IonicContact OD1-CZ 2.83Å; D1213-R1310 VanDerWaalsContact OD1-CZ 3.23Å; D1213-R1310 IonicContact OD1-NH1 3.35Å; D1213-R1310 PolarHBondContact OD1-NH1 2.94Å; D1213-R1310 IonicContact OD1-NH2 3.49Å; D1213-R1310 PolarHBondContact OD1-NH2 3.12Å | ||
| 1214 | Y | 74 | Confident | 64 | Low | 22 Ų | 22 | 74.8 Ų | 74.8 | 9% | 0.086 | 34% | 0.344 | C | S | . | . | trans | -84.9 | 120.8 | 178.8 | -69.6 | -85.1 | 0 | 0 | 0 | 111.2 | Q1212 G1253 Y1255 P1274 R1310 E1313 | Q1212-Y1214 HydrophobicContact CB-CE2 4.37Å; Q1212-Y1214 PolarHBondContact O-N 3.38Å; Y1214-G1253 WeakPolarHBondContact CA-O 3.37Å; Y1214-Y1255 AromaticContact CD1-CE2 3.91Å; Y1214-Y1255 HydrophobicContact CD1-CE2 3.91Å; Y1214-Y1255 HydrophobicContact CG-CE2 4.21Å; Y1214-P1274 HydrophobicContact CD1-CB 4.38Å; Y1214-P1274 HydrophobicContact CD1-CG 3.81Å; Y1214-P1274 HydrophobicContact CE1-CB 4Å; Y1214-P1274 HydrophobicContact CE1-CG 3.69Å; Y1214-R1310 HydrophobicContact CD2-CG 4Å; Y1214-R1310 PolarHBondContact O-NH1 3.34Å; Y1214-E1313 VanDerWaalsContact CE2-OE2 3.3Å; Y1214-E1313 WeakPolarHBondContact CE2-OE2 3.49Å; Y1214-E1313 PolarHBondContact OH-OE2 3.47Å | ||
| 1215 | K | 85.5 | Confident | 66.7 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 147.1 | -179.5 | -71.8 | 171.2 | 165.9 | -169.3 | 0 | 110.8 | V1236 T1239 P1249 G1253 L1254 Y1255 | K1215-V1236 HydrophobicContact CD-CG1 4.14Å; K1215-V1236 PolarHBondContact NZ-O 3.11Å; K1215-V1236 VanDerWaalsContact NZ-O 3.09Å; K1215-T1239 VanDerWaalsContact CD-OG1 3.3Å; K1215-T1239 WeakPolarHBondContact CD-OG1 3.36Å; K1215-T1239 WeakPolarHBondContact CE-O 3.17Å; K1215-T1239 WeakPolarHBondContact CE-OG1 3.23Å; K1215-T1239 PolarHBondContact NZ-O 2.82Å; K1215-T1239 PolarHBondContact NZ-OG1 3.48Å; K1215-P1249 HydrophobicContact CD-CG 4.24Å; K1215-G1253 PolarHBondContact N-O 3.33Å; K1215-G1253 VanDerWaalsContact N-O 3.13Å; K1215-L1254 HydrophobicContact CB-CD2 3.7Å; K1215-L1254 HydrophobicContact CD-CD2 4.48Å; K1215-Y1255 PolarHBondContact O-N 3.47Å |
| 1216 | F | 92.9 | Very high | 69.6 | Low | 9 Ų | 9 | 60.4 Ų | 60.4 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.2 | 177.1 | -151.1 | -69 | 0 | 0 | 0 | 110.3 | V1059 H1060 V1218 Y1255 V1257 F1271 T1302 V1303 A1306 | V1059-F1216 HydrophobicContact CG1-CD1 4.2Å; H1060-F1216 PolarHBondContact N-O 2.95Å; F1216-V1218 HydrophobicContact CE1-CG2 4.41Å; F1216-Y1255 CarbonylContact C-O 3.59Å; F1216-Y1255 WeakPolarHBondContact CA-O 3.49Å; F1216-Y1255 VanDerWaalsContact CD2-CB 3.44Å; F1216-Y1255 HydrophobicContact CD2-CD2 4.25Å; F1216-Y1255 AromaticContact CD2-CG 3.91Å; F1216-Y1255 HydrophobicContact CD2-CG 3.91Å; F1216-Y1255 HydrophobicContact CE2-CD1 4.42Å; F1216-Y1255 HydrophobicContact CE2-CG 4.06Å; F1216-V1257 HydrophobicContact CE1-CG2 3.75Å; F1216-V1257 HydrophobicContact CZ-CG2 3.92Å; F1216-F1271 HydrophobicContact CZ-CE2 4.25Å; F1216-T1302 HydrophobicContact CE2-CG2 4.28Å; F1216-T1302 HydrophobicContact CZ-CG2 3.98Å; F1216-V1303 HydrophobicContact CD1-CG2 3.73Å; F1216-V1303 HydrophobicContact CD2-CG2 3.99Å; F1216-V1303 HydrophobicContact CE1-CG2 3.61Å; F1216-V1303 HydrophobicContact CE2-CG2 3.88Å; F1216-V1303 HydrophobicContact CG-CG2 3.93Å; F1216-V1303 HydrophobicContact CZ-CG2 3.69Å; F1216-A1306 HydrophobicContact CD2-CB 3.95Å; F1216-A1306 HydrophobicContact CE2-CB 3.78Å |
| 1217 | L | 95.4 | Very high | 72.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.8 | -178.4 | -54.7 | -173.4 | 0 | 0 | 0 | 110.5 | H1060 F1062 V1219 I1232 V1236 T1239 L1254 Y1255 I1256 V1257 | H1060-L1217 HydrophobicContact CB-CD2 3.77Å; H1060-L1217 CarbonylContact O-C 3.44Å; H1060-L1217 VanDerWaalsContact O-CA 3.32Å; H1060-L1217 WeakPolarHBondContact O-CA 3.19Å; F1062-L1217 HydrophobicContact CE2-CD2 4.04Å; L1217-V1219 HydrophobicContact CB-CG2 4.49Å; L1217-I1232 HydrophobicContact CD1-CG2 4.41Å; L1217-V1236 HydrophobicContact CD1-CG2 4.05Å; L1217-T1239 HydrophobicContact CD2-CG2 3.98Å; L1217-L1254 HydrophobicContact CD1-CD2 3.77Å; L1217-L1254 HydrophobicContact CG-CD2 3.96Å; L1217-Y1255 PolarHBondContact N-O 3.12Å; L1217-I1256 HydrophobicContact CB-CG1 4.34Å; L1217-I1256 HydrophobicContact CB-CG2 4.25Å; L1217-I1256 HydrophobicContact CD1-CD1 4.45Å; L1217-I1256 HydrophobicContact CD1-CG1 4.28Å; L1217-I1256 WeakPolarHBondContact O-CA 3.3Å; L1217-V1257 PolarHBondContact O-N 3Å |
| 1218 | V | 97.5 | Very high | 75.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.3 | 166.2 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | V1059 H1060 I1061 F1062 F1091 F1216 V1257 V1259 V1299 | V1059-V1218 HydrophobicContact CG1-CG2 3.7Å; H1060-V1218 PolarHBondContact O-N 3.44Å; I1061-V1218 CarbonylContact C-O 3.32Å; I1061-V1218 VanDerWaalsContact CA-O 3.26Å; I1061-V1218 WeakPolarHBondContact CA-O 3.47Å; I1061-V1218 HydrophobicContact CG1-CB 4.25Å; I1061-V1218 HydrophobicContact CG2-CB 4.46Å; F1062-V1218 PolarHBondContact N-O 3.18Å; F1091-V1218 HydrophobicContact CE1-CG1 4.32Å; F1091-V1218 HydrophobicContact CZ-CG1 4.19Å; F1216-V1218 HydrophobicContact CE1-CG2 4.41Å; V1218-V1257 CarbonylContact C-O 3.54Å; V1218-V1257 WeakPolarHBondContact CA-O 2.91Å; V1218-V1257 HydrophobicContact CG2-CB 4.46Å; V1218-V1259 HydrophobicContact CG1-CG2 3.96Å; V1218-V1299 HydrophobicContact CG2-CG1 3.96Å |
| 1219 | V | 96.9 | Very high | 78 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 103.9 | -176.8 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | F1062 V1064 L1217 V1221 V1230 I1232 I1256 V1257 Y1258 V1259 | F1062-V1219 HydrophobicContact CB-CG1 4.46Å; F1062-V1219 HydrophobicContact CD2-CG2 4.43Å; V1064-V1219 HydrophobicContact CG2-CG1 3.74Å; L1217-V1219 HydrophobicContact CB-CG2 4.49Å; V1219-V1221 HydrophobicContact CG1-CG2 3.79Å; V1219-V1230 HydrophobicContact CG1-CG1 4.39Å; V1219-I1232 HydrophobicContact CG2-CD1 4.18Å; V1219-I1256 HydrophobicContact CG2-CG2 3.94Å; V1219-V1257 PolarHBondContact N-O 3.03Å; V1219-Y1258 HydrophobicContact CB-CD1 3.66Å; V1219-Y1258 HydrophobicContact CB-CE1 3.86Å; V1219-Y1258 HydrophobicContact CG1-CD1 3.94Å; V1219-Y1258 HydrophobicContact CG1-CE1 3.99Å; V1219-Y1258 HydrophobicContact CG2-CD1 4.39Å; V1219-Y1258 HydrophobicContact CG2-CE1 4.15Å; V1219-Y1258 CarbonylContact O-C 3.27Å; V1219-Y1258 VanDerWaalsContact O-CA 3.25Å; V1219-Y1258 WeakPolarHBondContact O-CA 2.68Å; V1219-V1259 PolarHBondContact O-N 3.36Å |
| 1220 | W | 97.1 | Very high | 80.8 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.6 | 173.3 | -171.4 | -69.6 | 0 | 0 | 0 | 109.4 | F1062 Y1063 V1064 C1087 F1088 F1091 V1259 Y1267 L1292 L1295 | F1062-W1220 PolarHBondContact O-N 2.98Å; Y1063-W1220 HydrophobicContact CD2-CB 3.96Å; Y1063-W1220 AromaticContact CD2-CD1 3.53Å; Y1063-W1220 AromaticContact CD2-CG 3.82Å; Y1063-W1220 HydrophobicContact CD2-CG 3.82Å; Y1063-W1220 AromaticContact CE2-CD1 3.27Å; Y1063-W1220 AromaticContact CE2-CG 3.94Å; Y1063-W1220 HydrophobicContact CE2-CG 3.94Å; Y1063-W1220 AromaticContact CE2-NE1 3.59Å; V1064-W1220 PolarHBondContact N-O 2.94Å; C1087-W1220 HydrophobicContact CB-CH2 4.47Å; F1088-W1220 HydrophobicContact CB-CD2 4.17Å; F1088-W1220 HydrophobicContact CB-CE3 4.46Å; F1088-W1220 HydrophobicContact CB-CH2 4.29Å; F1088-W1220 HydrophobicContact CB-CZ2 4.01Å; F1088-W1220 HydrophobicContact CD2-CB 3.92Å; F1088-W1220 AromaticContact CD2-CD2 3.58Å; F1088-W1220 HydrophobicContact CD2-CD2 3.58Å; F1088-W1220 AromaticContact CD2-CE3 3.6Å; F1088-W1220 HydrophobicContact CD2-CE3 3.6Å; F1088-W1220 AromaticContact CD2-CG 3.75Å; F1088-W1220 HydrophobicContact CD2-CG 3.75Å; F1088-W1220 HydrophobicContact CD2-CZ3 4.22Å; F1088-W1220 HydrophobicContact CE2-CB 3.97Å; F1088-W1220 HydrophobicContact CE2-CD2 4.45Å; F1088-W1220 HydrophobicContact CE2-CE3 4.41Å; F1088-W1220 HydrophobicContact CE2-CG 4.3Å; F1088-W1220 HydrophobicContact CG-CD2 4.3Å; F1088-W1220 HydrophobicContact CG-CG 4.49Å; F1091-W1220 HydrophobicContact CB-CH2 4.36Å; F1091-W1220 HydrophobicContact CB-CZ3 3.78Å; F1091-W1220 HydrophobicContact CD1-CE3 4.03Å; F1091-W1220 AromaticContact CD1-CZ3 3.92Å; F1091-W1220 HydrophobicContact CD1-CZ3 3.92Å; F1091-W1220 HydrophobicContact CG-CE3 4.43Å; F1091-W1220 AromaticContact CG-CZ3 3.87Å; F1091-W1220 HydrophobicContact CG-CZ3 3.87Å; W1220-V1259 WeakPolarHBondContact CA-O 3.4Å; W1220-V1259 HydrophobicContact CD2-CB 4.27Å; W1220-V1259 HydrophobicContact CD2-CG1 4.11Å; W1220-V1259 HydrophobicContact CE3-CB 3.89Å; W1220-V1259 HydrophobicContact CE3-CG1 3.57Å; W1220-V1259 HydrophobicContact CE3-CG2 4.49Å; W1220-V1259 HydrophobicContact CH2-CG1 4.41Å; W1220-V1259 HydrophobicContact CZ3-CG1 3.76Å; W1220-Y1267 AromaticContact CH2-CD1 3.76Å; W1220-Y1267 HydrophobicContact CH2-CD1 3.76Å; W1220-Y1267 AromaticContact CH2-CE1 3.34Å; W1220-Y1267 HydrophobicContact CH2-CE1 3.34Å; W1220-Y1267 HydrophobicContact CZ2-CD1 4.07Å; W1220-Y1267 AromaticContact CZ2-CE1 3.52Å; W1220-Y1267 HydrophobicContact CZ2-CE1 3.52Å; W1220-Y1267 HydrophobicContact CZ3-CD1 4.4Å; W1220-Y1267 HydrophobicContact CZ3-CE1 4.36Å; W1220-L1292 HydrophobicContact CH2-CD1 4.46Å; W1220-L1295 HydrophobicContact CH2-CD2 4.39Å; W1220-L1295 HydrophobicContact CZ3-CD2 3.67Å |
| 1221 | V | 94.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.9 | -177.4 | -163.1 | 0 | 0 | 0 | 0 | 109.7 | V1064 V1219 R1223 D1226 I1227 Y1258 V1259 | V1064-V1221 HydrophobicContact CB-CG1 4.2Å; V1064-V1221 HydrophobicContact CB-CG2 4.38Å; V1064-V1221 HydrophobicContact CG1-CG1 4.29Å; V1219-V1221 HydrophobicContact CG1-CG2 3.79Å; V1221-R1223 VanDerWaalsContact C-N 3.32Å; V1221-R1223 WeakPolarHBondContact CG1-O 3.49Å; V1221-D1226 HydrophobicContact CG1-CB 3.86Å; V1221-I1227 HydrophobicContact CG2-CG1 4.13Å; V1221-Y1258 HydrophobicContact CG2-CD1 3.98Å; V1221-V1259 PolarHBondContact N-O 3.25Å |
| 1222 | E | 91.6 | Very high | 85.9 | Confident | 74 Ų | 74 | 31.3 Ų | 31.3 | 35% | 0.346 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -70.3 | -27 | 178 | -71.5 | -178.6 | 177.5 | 0 | 0 | 113.3 | Y1063 V1064 K1065 K1066 | Y1063-E1222 PolarHBondContact OH-OE1 3.4Å; V1064-E1222 PolarHBondContact O-N 2.83Å; V1064-E1222 VanDerWaalsContact O-N 3.13Å; K1065-E1222 WeakPolarHBondContact CA-OE2 3.41Å; K1066-E1222 HydrophobicContact CB-CB 4.37Å; K1066-E1222 VanDerWaalsContact CB-OE2 3.23Å; K1066-E1222 WeakPolarHBondContact CB-OE2 3.45Å; K1066-E1222 PolarHBondContact N-OE2 3.5Å |
| 1223 | R | 86.1 | Confident | 87.6 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 23% | 0.226 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -128.3 | 129.4 | 172.6 | -70.4 | -165.1 | -75.4 | -153.4 | -12.9 | 111.3 | D506 K1066 V1221 E1225 D1226 | D506-R1223 VanDerWaalsContact OD2-CD 3.26Å; D506-R1223 WeakPolarHBondContact OD2-CD 3.23Å; D506-R1223 IonicContact OD2-CZ 2.94Å; D506-R1223 IonicContact OD2-NE 2.7Å; D506-R1223 IonicContact OD2-NH1 3.13Å; D506-R1223 PolarHBondContact OD2-NH1 2.74Å; K1066-R1223 HydrophobicContact CD-CG 4.42Å; K1066-R1223 HydrophobicContact CG-CG 4.1Å; V1221-R1223 VanDerWaalsContact C-N 3.32Å; V1221-R1223 WeakPolarHBondContact CG1-O 3.49Å; R1223-E1225 PolarHBondContact O-N 2.95Å; R1223-D1226 WeakPolarHBondContact CB-OD2 2.95Å; R1223-D1226 IonicContact NE-OD1 3.92Å; R1223-D1226 IonicContact NE-OD2 3.76Å; R1223-D1226 PolarHBondContact NE-OD2 3.41Å; R1223-D1226 PolarHBondContact O-N 3.02Å; R1223-D1226 VanDerWaalsContact O-N 3.11Å |
| 1224 | H | 85.7 | Confident | 89 | Confident | 36 Ų | 36 | 35 Ų | 35 | 17% | 0.167 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -58.9 | -33.9 | 179.9 | 167.1 | -86.9 | 0 | 0 | 0 | 112.6 | D1226 I1227 C1260 R1268 D1270 | H1224-D1226 PolarHBondContact O-N 3.23Å; H1224-I1227 WeakPolarHBondContact O-CB 3.33Å; H1224-I1227 WeakPolarHBondContact O-CD1 3.12Å; H1224-I1227 VanDerWaalsContact O-CG1 3.23Å; H1224-I1227 WeakPolarHBondContact O-CG1 3.45Å; H1224-I1227 PolarHBondContact O-N 3.06Å; H1224-C1260 HydrophobicContact CB-CB 4.42Å; H1224-C1260 PolarHBondContact N-SG 2.81Å; H1224-R1268 VanDerWaalsContact CD2-CZ 3.46Å; H1224-R1268 PolarHBondContact CD2-NH1 3.16Å; H1224-R1268 PolarHBondContact NE2-NH1 2.9Å; H1224-R1268 VanDerWaalsContact NE2-NH1 3.15Å; H1224-R1268 PolarHBondContact NE2-NH2 3.33Å; H1224-D1270 IonicContact CD2-OD2 2.71Å; H1224-D1270 PolarHBondContact CD2-OD2 3.27Å; H1224-D1270 VanDerWaalsContact CD2-OD2 3.32Å; H1224-D1270 IonicContact NE2-OD2 3.87Å; H1224-D1270 PolarHBondContact NE2-OD2 3.32Å |
| 1225 | E | 82.2 | Confident | 89.8 | Confident | 52 Ų | 52 | 33.9 Ų | 33.9 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -63.3 | -27 | -180 | -64.3 | 70.5 | -154.4 | 0 | 0 | 113.4 | L504 S505 R1223 I1227 | L504-E1225 WeakPolarHBondContact CA-OE1 3.38Å; L504-E1225 HydrophobicContact CD2-CG 3.61Å; S505-E1225 VanDerWaalsContact CB-OE2 3.23Å; S505-E1225 WeakPolarHBondContact CB-OE2 3.44Å; S505-E1225 PolarHBondContact N-OE1 3.21Å; S505-E1225 VanDerWaalsContact OG-CD 3.22Å; S505-E1225 PolarHBondContact OG-OE1 2.92Å; S505-E1225 PolarHBondContact OG-OE2 2.97Å; R1223-E1225 PolarHBondContact O-N 2.95Å; E1225-I1227 PolarHBondContact O-N 2.89Å |
| 1226 | D | 86.8 | Confident | 89.9 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -74.1 | -14.4 | -176.4 | -63.4 | -23 | 0 | 0 | 0 | 111.5 | G1067 V1221 R1223 H1224 G1228 Q1229 V1230 | G1067-D1226 WeakPolarHBondContact CA-OD2 3.46Å; G1067-D1226 PolarHBondContact N-OD2 2.97Å; V1221-D1226 HydrophobicContact CG1-CB 3.86Å; R1223-D1226 WeakPolarHBondContact CB-OD2 2.95Å; R1223-D1226 IonicContact NE-OD1 3.92Å; R1223-D1226 IonicContact NE-OD2 3.76Å; R1223-D1226 PolarHBondContact NE-OD2 3.41Å; R1223-D1226 PolarHBondContact O-N 3.02Å; R1223-D1226 VanDerWaalsContact O-N 3.11Å; H1224-D1226 PolarHBondContact O-N 3.23Å; D1226-G1228 PolarHBondContact O-N 3.05Å; D1226-G1228 VanDerWaalsContact O-N 3.16Å; D1226-Q1229 WeakPolarHBondContact O-CA 3.39Å; D1226-Q1229 PolarHBondContact O-N 3.35Å; D1226-V1230 WeakPolarHBondContact O-CG2 3.46Å; D1226-V1230 PolarHBondContact O-N 2.92Å |
| 1227 | I | 87.6 | Confident | 89.4 | Confident | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -50.7 | -42 | 178.5 | -69.9 | 173.7 | 0 | 0 | 0 | 111.8 | V1221 H1224 E1225 Q1229 V1230 Y1258 | V1221-I1227 HydrophobicContact CG2-CG1 4.13Å; H1224-I1227 WeakPolarHBondContact O-CB 3.33Å; H1224-I1227 WeakPolarHBondContact O-CD1 3.12Å; H1224-I1227 VanDerWaalsContact O-CG1 3.23Å; H1224-I1227 WeakPolarHBondContact O-CG1 3.45Å; H1224-I1227 PolarHBondContact O-N 3.06Å; E1225-I1227 PolarHBondContact O-N 2.89Å; I1227-Q1229 PolarHBondContact O-N 3.32Å; I1227-V1230 PolarHBondContact O-N 3.42Å; I1227-Y1258 HydrophobicContact CB-CD1 4.36Å; I1227-Y1258 HydrophobicContact CB-CE1 4.45Å; I1227-Y1258 HydrophobicContact CD1-CD1 4.23Å; I1227-Y1258 HydrophobicContact CD1-CG 3.95Å; I1227-Y1258 HydrophobicContact CG1-CD1 3.78Å; I1227-Y1258 HydrophobicContact CG1-CE1 4.34Å; I1227-Y1258 HydrophobicContact CG1-CG 4.03Å; I1227-Y1258 HydrophobicContact CG2-CD1 3.96Å; I1227-Y1258 HydrophobicContact CG2-CD2 4.11Å; I1227-Y1258 HydrophobicContact CG2-CE1 3.81Å; I1227-Y1258 HydrophobicContact CG2-CE2 3.97Å; I1227-Y1258 HydrophobicContact CG2-CG 4.1Å |
| 1228 | G | 81.4 | Confident | 89 | Confident | 57 Ų | 57 | 38.1 Ų | 38.1 | 59% | 0.588 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -72.2 | -12.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1226 | D1226-G1228 PolarHBondContact O-N 3.05Å; D1226-G1228 VanDerWaalsContact O-N 3.16Å |
| 1229 | Q | 85.7 | Confident | 88.5 | Confident | 100 Ų | 100 | 38.1 Ų | 38.1 | 47% | 0.467 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -108.1 | -4.8 | -178.6 | -56.9 | -176.2 | 12.6 | 0 | 0 | 112.8 | C1069 D1226 I1227 P1231 | C1069-Q1229 HydrophobicContact CB-CB 4.3Å; D1226-Q1229 WeakPolarHBondContact O-CA 3.39Å; D1226-Q1229 PolarHBondContact O-N 3.35Å; I1227-Q1229 PolarHBondContact O-N 3.32Å; Q1229-P1231 WeakPolarHBondContact O-CD 3.28Å |
| 1230 | V | 90.9 | Very high | 87.8 | Confident | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | trans | -66.8 | 124.4 | 177 | -176.6 | 0 | 0 | 0 | 0 | 109 | V1064 I1074 V1219 D1226 I1227 I1232 L1235 | V1064-V1230 HydrophobicContact CG1-CG2 4.36Å; V1064-V1230 HydrophobicContact CG2-CG1 4.39Å; V1064-V1230 HydrophobicContact CG2-CG2 4.3Å; I1074-V1230 HydrophobicContact CD1-CG1 4.34Å; V1219-V1230 HydrophobicContact CG1-CG1 4.39Å; D1226-V1230 WeakPolarHBondContact O-CG2 3.46Å; D1226-V1230 PolarHBondContact O-N 2.92Å; I1227-V1230 PolarHBondContact O-N 3.42Å; V1230-I1232 HydrophobicContact CB-CD1 4.26Å; V1230-I1232 HydrophobicContact CB-CG1 4.38Å; V1230-I1232 HydrophobicContact CG1-CD1 3.62Å; V1230-I1232 HydrophobicContact CG1-CG1 4.15Å; V1230-I1232 PolarHBondContact O-N 2.91Å; V1230-L1235 HydrophobicContact CG1-CD1 3.72Å | ||
| 1231 | P | 90.8 | Very high | 87 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | trans | -77.8 | 66.1 | -178.5 | 33.5 | -37 | 0 | 0 | 0 | 111.3 | C1069 T1071 I1074 Q1229 D1233 E1234 L1235 | C1069-P1231 WeakPolarHBondContact O-CG 3.19Å; T1071-P1231 VanDerWaalsContact OG1-CG 3.23Å; T1071-P1231 WeakPolarHBondContact OG1-CG 3.5Å; I1074-P1231 HydrophobicContact CD1-CG 4.18Å; Q1229-P1231 WeakPolarHBondContact O-CD 3.28Å; P1231-D1233 VanDerWaalsContact C-N 3.28Å; P1231-D1233 PolarHBondContact O-N 3.35Å; P1231-E1234 HydrophobicContact CB-CB 4.27Å; P1231-E1234 HydrophobicContact CB-CG 4.35Å; P1231-E1234 PolarHBondContact O-N 2.86Å; P1231-E1234 VanDerWaalsContact O-N 3.09Å; P1231-L1235 WeakPolarHBondContact O-CG 3.39Å; P1231-L1235 PolarHBondContact O-N 3.33Å | ||
| 1232 | I | 90.6 | Very high | 86 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.7 | -42.8 | -176.6 | -63 | -64.2 | 0 | 0 | 0 | 111.7 | L1217 V1219 V1230 E1234 L1235 V1236 L1254 I1256 Y1258 | L1217-I1232 HydrophobicContact CD1-CG2 4.41Å; V1219-I1232 HydrophobicContact CG2-CD1 4.18Å; V1230-I1232 HydrophobicContact CB-CD1 4.26Å; V1230-I1232 HydrophobicContact CB-CG1 4.38Å; V1230-I1232 HydrophobicContact CG1-CD1 3.62Å; V1230-I1232 HydrophobicContact CG1-CG1 4.15Å; V1230-I1232 PolarHBondContact O-N 2.91Å; I1232-E1234 PolarHBondContact O-N 3.22Å; I1232-L1235 PolarHBondContact O-N 2.95Å; I1232-V1236 HydrophobicContact CG2-CG2 4.18Å; I1232-V1236 WeakPolarHBondContact O-CG2 3.42Å; I1232-V1236 PolarHBondContact O-N 3.26Å; I1232-L1254 HydrophobicContact CG2-CD1 4.37Å; I1232-I1256 HydrophobicContact CD1-CD1 4.46Å; I1232-I1256 HydrophobicContact CG1-CD1 4.49Å; I1232-I1256 HydrophobicContact CG2-CD1 3.78Å; I1232-Y1258 HydrophobicContact CD1-CE1 4.37Å; I1232-Y1258 WeakPolarHBondContact CD1-OH 3.25Å; I1232-Y1258 WeakPolarHBondContact CG1-OH 3.46Å |
| 1233 | D | 87.1 | Confident | 84.9 | Confident | 110 Ų | 110 | 40.5 Ų | 40.5 | 59% | 0.588 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -58.4 | -36.2 | 179.7 | -69.3 | -36.4 | 0 | 0 | 0 | 112.1 | P1231 T1251 | P1231-D1233 VanDerWaalsContact C-N 3.28Å; P1231-D1233 PolarHBondContact O-N 3.35Å; D1233-T1251 WeakPolarHBondContact OD1-CG2 3.48Å |
| 1234 | E | 88.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -80.6 | -38.2 | 177.3 | -62.2 | -176.1 | -162.1 | 0 | 0 | 112.4 | T1071 P1231 I1232 V1236 E1237 Y1238 | T1071-E1234 WeakPolarHBondContact CB-OE2 3.46Å; T1071-E1234 HydrophobicContact CG2-CB 4.05Å; T1071-E1234 VanDerWaalsContact OG1-CB 3.3Å; T1071-E1234 WeakPolarHBondContact OG1-CB 3.27Å; T1071-E1234 PolarHBondContact OG1-OE2 3.47Å; P1231-E1234 HydrophobicContact CB-CB 4.27Å; P1231-E1234 HydrophobicContact CB-CG 4.35Å; P1231-E1234 PolarHBondContact O-N 2.86Å; P1231-E1234 VanDerWaalsContact O-N 3.09Å; I1232-E1234 PolarHBondContact O-N 3.22Å; E1234-V1236 VanDerWaalsContact C-N 3.28Å; E1234-V1236 PolarHBondContact O-N 2.94Å; E1234-E1237 WeakPolarHBondContact O-CB 3.3Å; E1234-E1237 PolarHBondContact O-N 3.36Å; E1234-Y1238 WeakPolarHBondContact O-CD2 3.47Å |
| 1235 | L | 90.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -33.3 | 179.6 | -71.6 | 169.3 | 0 | 0 | 0 | 112.2 | F1062 T1071 I1074 L1075 V1230 P1231 I1232 E1237 Y1238 | F1062-L1235 HydrophobicContact CD1-CD2 3.91Å; F1062-L1235 HydrophobicContact CE1-CB 4.26Å; F1062-L1235 HydrophobicContact CE1-CD2 3.74Å; F1062-L1235 HydrophobicContact CE1-CG 4.46Å; F1062-L1235 HydrophobicContact CE2-CB 4.2Å; F1062-L1235 HydrophobicContact CG-CD1 4.41Å; F1062-L1235 HydrophobicContact CZ-CB 3.93Å; F1062-L1235 HydrophobicContact CZ-CD2 4.28Å; T1071-L1235 HydrophobicContact CG2-CD2 3.87Å; T1071-L1235 HydrophobicContact CG2-CG 4.38Å; I1074-L1235 HydrophobicContact CB-CD2 4.32Å; I1074-L1235 HydrophobicContact CD1-CD1 4.24Å; I1074-L1235 HydrophobicContact CG2-CD1 4.33Å; I1074-L1235 HydrophobicContact CG2-CD2 3.94Å; L1075-L1235 HydrophobicContact CD2-CD2 4.41Å; L1075-L1235 HydrophobicContact CG-CD2 4.39Å; V1230-L1235 HydrophobicContact CG1-CD1 3.72Å; P1231-L1235 WeakPolarHBondContact O-CG 3.39Å; P1231-L1235 PolarHBondContact O-N 3.33Å; I1232-L1235 PolarHBondContact O-N 2.95Å; L1235-E1237 PolarHBondContact O-N 3.08Å; L1235-Y1238 PolarHBondContact O-N 3.04Å |
| 1236 | V | 87.5 | Confident | 79.4 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -62.9 | -21.1 | 178.3 | 170.2 | 0 | 0 | 0 | 0 | 113 | K1215 L1217 I1232 E1234 Y1238 T1239 P1249 L1254 | K1215-V1236 HydrophobicContact CD-CG1 4.14Å; K1215-V1236 PolarHBondContact NZ-O 3.11Å; K1215-V1236 VanDerWaalsContact NZ-O 3.09Å; L1217-V1236 HydrophobicContact CD1-CG2 4.05Å; I1232-V1236 HydrophobicContact CG2-CG2 4.18Å; I1232-V1236 WeakPolarHBondContact O-CG2 3.42Å; I1232-V1236 PolarHBondContact O-N 3.26Å; E1234-V1236 VanDerWaalsContact C-N 3.28Å; E1234-V1236 PolarHBondContact O-N 2.94Å; V1236-Y1238 PolarHBondContact O-N 2.94Å; V1236-T1239 PolarHBondContact O-N 3.07Å; V1236-T1239 PolarHBondContact O-OG1 2.95Å; V1236-T1239 VanDerWaalsContact O-OG1 3.07Å; V1236-P1249 HydrophobicContact CG1-CG 3.95Å; V1236-L1254 HydrophobicContact CG1-CD2 4.49Å; V1236-L1254 HydrophobicContact CG2-CD1 3.7Å; V1236-L1254 HydrophobicContact CG2-CD2 3.67Å; V1236-L1254 HydrophobicContact CG2-CG 4.34Å |
| 1237 | E | 83.8 | Confident | 77.6 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -65.4 | -21.9 | 173.4 | -61 | -170.7 | 166.7 | 0 | 0 | 112.7 | R1163 E1234 L1235 | R1163-E1237 IonicContact CZ-OE2 3.71Å; R1163-E1237 IonicContact NH1-OE2 3.59Å; R1163-E1237 PolarHBondContact NH1-OE2 3.05Å; E1234-E1237 WeakPolarHBondContact O-CB 3.3Å; E1234-E1237 PolarHBondContact O-N 3.36Å; L1235-E1237 PolarHBondContact O-N 3.08Å |
| 1238 | Y | 86.5 | Confident | 75.7 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -98.4 | 7.7 | -178.3 | -61.5 | -96.4 | 0 | 0 | 0 | 113.3 | T1071 L1075 T1161 R1163 E1234 L1235 V1236 | T1071-Y1238 HydrophobicContact CG2-CD2 4.43Å; T1071-Y1238 HydrophobicContact CG2-CE2 3.81Å; L1075-Y1238 HydrophobicContact CD1-CD1 3.75Å; L1075-Y1238 HydrophobicContact CD1-CD2 3.95Å; L1075-Y1238 HydrophobicContact CD1-CE1 3.52Å; L1075-Y1238 HydrophobicContact CD1-CE2 3.75Å; L1075-Y1238 HydrophobicContact CD1-CG 3.95Å; L1075-Y1238 HydrophobicContact CD2-CD1 4.47Å; L1075-Y1238 HydrophobicContact CD2-CG 4.27Å; T1161-Y1238 WeakPolarHBondContact O-CD1 3.37Å; R1163-Y1238 HydrophobicContact CG-CE1 3.88Å; R1163-Y1238 VanDerWaalsContact CZ-OH 3.28Å; R1163-Y1238 PolarHBondContact NE-OH 3.27Å; R1163-Y1238 PolarHBondContact NH2-OH 3.33Å; E1234-Y1238 WeakPolarHBondContact O-CD2 3.47Å; L1235-Y1238 PolarHBondContact O-N 3.04Å; V1236-Y1238 PolarHBondContact O-N 2.94Å |
| 1239 | T | 86.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -113.6 | 34.5 | -176.1 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | H1060 F1062 P1157 K1215 L1217 V1236 | H1060-T1239 HydrophobicContact CB-CG2 3.82Å; H1060-T1239 VanDerWaalsContact CD2-CB 3.48Å; H1060-T1239 WeakPolarHBondContact CD2-CB 3.39Å; H1060-T1239 WeakPolarHBondContact NE2-CA 3.27Å; F1062-T1239 HydrophobicContact CE2-CG2 4.02Å; F1062-T1239 HydrophobicContact CZ-CG2 3.73Å; P1157-T1239 HydrophobicContact CG-CG2 4.47Å; K1215-T1239 VanDerWaalsContact CD-OG1 3.3Å; K1215-T1239 WeakPolarHBondContact CD-OG1 3.36Å; K1215-T1239 WeakPolarHBondContact CE-O 3.17Å; K1215-T1239 WeakPolarHBondContact CE-OG1 3.23Å; K1215-T1239 PolarHBondContact NZ-O 2.82Å; K1215-T1239 PolarHBondContact NZ-OG1 3.48Å; L1217-T1239 HydrophobicContact CD2-CG2 3.98Å; V1236-T1239 PolarHBondContact O-N 3.07Å; V1236-T1239 PolarHBondContact O-OG1 2.95Å; V1236-T1239 VanDerWaalsContact O-OG1 3.07Å | ||
| 1240 | D | 82.5 | Confident | 72.7 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | trans | -71.1 | 132.9 | 174.5 | -172.6 | 13.7 | 0 | 0 | 0 | 109.9 | H1110 F1164 G1242 | H1110-D1240 PolarHBondContact CD2-O 3.18Å; F1164-D1240 HydrophobicContact CD2-CB 4.46Å; D1240-G1242 PolarHBondContact OD1-N 3.07Å | ||
| 1241 | T | 80 | Confident | 71.1 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | trans | -106.2 | 0.7 | 177.6 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | T1058 H1110 W1111 E1243 | T1058-T1241 HydrophobicContact CG2-CG2 4.28Å; H1110-T1241 WeakPolarHBondContact CA-O 3.45Å; W1111-T1241 VanDerWaalsContact CD1-O 3.24Å; W1111-T1241 PolarHBondContact N-O 2.77Å; W1111-T1241 VanDerWaalsContact N-O 3.1Å; T1241-E1243 VanDerWaalsContact C-N 3.32Å | ||
| 1242 | G | 73.4 | Confident | 69.7 | Low | 7 Ų | 7 | 62.3 Ų | 62.3 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 82.5 | 6.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1110 D1240 K1244 | H1110-G1242 PolarHBondContact CD2-N 3.44Å; H1110-G1242 WeakPolarHBondContact NE2-CA 3.46Å; H1110-G1242 PolarHBondContact NE2-N 3.32Å; D1240-G1242 PolarHBondContact OD1-N 3.07Å; G1242-K1244 VanDerWaalsContact C-N 3.25Å; G1242-K1244 PolarHBondContact O-N 3.49Å |
| 1243 | E | 68.7 | Low | 68.9 | Low | 47 Ų | 47 | 61.8 Ų | 61.8 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | trans | -77.6 | 69.3 | 175.3 | -130.2 | -176.6 | -179.1 | 0 | 0 | 110.2 | R1173 T1241 S1245 R1310 | R1173-E1243 IonicContact CZ-OE1 2.98Å; R1173-E1243 IonicContact NH1-OE1 3.32Å; R1173-E1243 PolarHBondContact NH1-OE1 2.99Å; T1241-E1243 VanDerWaalsContact C-N 3.32Å; E1243-S1245 PolarHBondContact O-N 2.96Å; E1243-R1310 IonicContact OE2-NH2 2.63Å; E1243-R1310 PolarHBondContact OE2-NH2 3.49Å | ||
| 1244 | K | 50.2 | Low | 68.9 | Low | 148 Ų | 148 | 56.9 Ų | 56.9 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | trans | -59.9 | 100.4 | 179.6 | -70.6 | -167.9 | -171.7 | 168.8 | 0 | 112 | T1172 G1242 | T1172-K1244 HydrophobicContact CG2-CD 3.52Å; T1172-K1244 HydrophobicContact CG2-CG 4.12Å; G1242-K1244 VanDerWaalsContact C-N 3.25Å; G1242-K1244 PolarHBondContact O-N 3.49Å | ||
| 1245 | S | 44.6 | Very low | 69.1 | Low | 55 Ų | 55 | 52.2 Ų | 52.2 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | trans | -162.2 | 123.1 | 145.1 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | Y1211 E1243 | Y1211-S1245 WeakPolarHBondContact CB-OG 3.47Å; E1243-S1245 PolarHBondContact O-N 2.96Å | ||
| 1246 | S | 43.7 | Very low | 69.3 | Low | 65 Ų | 65 | 52.6 Ų | 52.6 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 88.7 | 145.4 | 176 | 83.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1247 | P | 48.5 | Very low | 69.7 | Low | 106 Ų | 106 | 52.3 Ų | 52.3 | 69% | 0.688 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -56.2 | 160 | 177.3 | 23.3 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 1248 | P | 48.3 | Very low | 70.3 | Confident | 97 Ų | 97 | 48.5 Ų | 48.5 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -47 | 136.3 | -172.4 | 17.5 | -31.9 | 0 | 0 | 0 | 111.1 | V1250 | P1248-V1250 PolarHBondContact O-N 2.85Å; P1248-V1250 VanDerWaalsContact O-N 3.14Å |
| 1249 | P | 49 | Very low | 70.8 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 25% | 0.253 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 125.1 | -174.3 | 23.1 | -31 | 0 | 0 | 0 | 108.5 | K1215 V1236 | K1215-P1249 HydrophobicContact CD-CG 4.24Å; V1236-P1249 HydrophobicContact CG1-CG 3.95Å |
| 1250 | V | 54.3 | Low | 71 | Confident | 105 Ų | 105 | 47.6 Ų | 47.6 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 145.2 | 154.2 | -176 | 0 | 0 | 0 | 0 | 106.1 | P1248 E1252 G1253 | P1248-V1250 PolarHBondContact O-N 2.85Å; P1248-V1250 VanDerWaalsContact O-N 3.14Å; V1250-E1252 HydrophobicContact CG1-CG 4.28Å; V1250-E1252 PolarHBondContact O-N 2.95Å; V1250-G1253 PolarHBondContact O-N 3.4Å |
| 1251 | T | 57.4 | Low | 71.4 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -47.6 | -8.2 | -175.2 | 6.9 | 0 | 0 | 0 | 0 | 116.4 | D1233 G1253 L1254 | D1233-T1251 WeakPolarHBondContact OD1-CG2 3.48Å; T1251-G1253 PolarHBondContact O-N 3.18Å; T1251-L1254 HydrophobicContact CG2-CD1 3.99Å |
| 1252 | E | 61.1 | Low | 71.6 | Confident | 142 Ų | 142 | 50.1 Ų | 50.1 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -64.2 | -13.2 | 176.3 | -62.7 | -173.7 | 164.8 | 0 | 0 | 115.5 | V1250 P1274 | V1250-E1252 HydrophobicContact CG1-CG 4.28Å; V1250-E1252 PolarHBondContact O-N 2.95Å; E1252-P1274 WeakPolarHBondContact O-CB 3.37Å |
| 1253 | G | 74.6 | Confident | 71.8 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -111 | 16.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y1214 K1215 V1250 T1251 | Y1214-G1253 WeakPolarHBondContact CA-O 3.37Å; K1215-G1253 PolarHBondContact N-O 3.33Å; K1215-G1253 VanDerWaalsContact N-O 3.13Å; V1250-G1253 PolarHBondContact O-N 3.4Å; T1251-G1253 PolarHBondContact O-N 3.18Å |
| 1254 | L | 86.8 | Confident | 72 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.2 | -170.7 | -72.3 | 149 | 0 | 0 | 0 | 112.4 | K1215 L1217 I1232 V1236 T1251 I1256 P1274 | K1215-L1254 HydrophobicContact CB-CD2 3.7Å; K1215-L1254 HydrophobicContact CD-CD2 4.48Å; L1217-L1254 HydrophobicContact CD1-CD2 3.77Å; L1217-L1254 HydrophobicContact CG-CD2 3.96Å; I1232-L1254 HydrophobicContact CG2-CD1 4.37Å; V1236-L1254 HydrophobicContact CG1-CD2 4.49Å; V1236-L1254 HydrophobicContact CG2-CD1 3.7Å; V1236-L1254 HydrophobicContact CG2-CD2 3.67Å; V1236-L1254 HydrophobicContact CG2-CG 4.34Å; T1251-L1254 HydrophobicContact CG2-CD1 3.99Å; L1254-I1256 HydrophobicContact CB-CD1 4.16Å; L1254-I1256 HydrophobicContact CB-CG1 3.98Å; L1254-P1274 WeakPolarHBondContact O-CD 3.34Å |
| 1255 | Y | 92.1 | Very high | 73.4 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.7 | 160.8 | -65.2 | -88.1 | 0 | 0 | 0 | 108.1 | Y1214 K1215 F1216 L1217 F1271 Q1272 C1273 P1274 P1281 A1306 | Y1214-Y1255 AromaticContact CD1-CE2 3.91Å; Y1214-Y1255 HydrophobicContact CD1-CE2 3.91Å; Y1214-Y1255 HydrophobicContact CG-CE2 4.21Å; K1215-Y1255 PolarHBondContact O-N 3.47Å; F1216-Y1255 CarbonylContact C-O 3.59Å; F1216-Y1255 WeakPolarHBondContact CA-O 3.49Å; F1216-Y1255 VanDerWaalsContact CD2-CB 3.44Å; F1216-Y1255 HydrophobicContact CD2-CD2 4.25Å; F1216-Y1255 AromaticContact CD2-CG 3.91Å; F1216-Y1255 HydrophobicContact CD2-CG 3.91Å; F1216-Y1255 HydrophobicContact CE2-CD1 4.42Å; F1216-Y1255 HydrophobicContact CE2-CG 4.06Å; L1217-Y1255 PolarHBondContact N-O 3.12Å; Y1255-F1271 HydrophobicContact CD1-CE2 4.25Å; Y1255-F1271 HydrophobicContact CD1-CZ 4.02Å; Y1255-Q1272 WeakPolarHBondContact CA-O 3.38Å; Y1255-C1273 HydrophobicContact CD1-CB 4.24Å; Y1255-C1273 HydrophobicContact CE1-CB 4.27Å; Y1255-P1274 VanDerWaalsContact CD1-CD 3.46Å; Y1255-P1274 HydrophobicContact CD1-CG 4.28Å; Y1255-P1274 HydrophobicContact CD2-CG 4.23Å; Y1255-P1274 VanDerWaalsContact CE1-CD 3.4Å; Y1255-P1274 HydrophobicContact CE1-CG 3.9Å; Y1255-P1274 HydrophobicContact CE2-CG 3.84Å; Y1255-P1274 HydrophobicContact CG-CG 4.44Å; Y1255-P1281 HydrophobicContact CD1-CG 4.26Å; Y1255-P1281 HydrophobicContact CE1-CG 3.76Å; Y1255-A1306 HydrophobicContact CD1-CB 4.48Å; Y1255-A1306 HydrophobicContact CE1-CB 4.34Å; Y1255-A1306 HydrophobicContact CE2-CB 4.4Å |
| 1256 | I | 94.7 | Very high | 75.5 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.5 | -177.4 | -46.5 | 177.8 | 0 | 0 | 0 | 109.2 | L1217 V1219 I1232 L1254 Y1258 Q1272 | L1217-I1256 HydrophobicContact CB-CG1 4.34Å; L1217-I1256 HydrophobicContact CB-CG2 4.25Å; L1217-I1256 HydrophobicContact CD1-CD1 4.45Å; L1217-I1256 HydrophobicContact CD1-CG1 4.28Å; L1217-I1256 WeakPolarHBondContact O-CA 3.3Å; V1219-I1256 HydrophobicContact CG2-CG2 3.94Å; I1232-I1256 HydrophobicContact CD1-CD1 4.46Å; I1232-I1256 HydrophobicContact CG1-CD1 4.49Å; I1232-I1256 HydrophobicContact CG2-CD1 3.78Å; L1254-I1256 HydrophobicContact CB-CD1 4.16Å; L1254-I1256 HydrophobicContact CB-CG1 3.98Å; I1256-Y1258 HydrophobicContact CB-CE2 4.15Å; I1256-Y1258 HydrophobicContact CG2-CD2 4Å; I1256-Y1258 HydrophobicContact CG2-CE1 4.17Å; I1256-Y1258 HydrophobicContact CG2-CE2 3.47Å; I1256-Y1258 VanDerWaalsContact CG2-CE2 3.47Å; I1256-Q1272 HydrophobicContact CB-CB 4.29Å; I1256-Q1272 PolarHBondContact N-O 3.44Å; I1256-Q1272 PolarHBondContact O-N 3.27Å |
| 1257 | V | 96.7 | Very high | 77.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.5 | 172.3 | 177.7 | 0 | 0 | 0 | 0 | 108 | F1216 L1217 V1218 V1219 V1259 L1269 F1271 I1284 | F1216-V1257 HydrophobicContact CE1-CG2 3.75Å; F1216-V1257 HydrophobicContact CZ-CG2 3.92Å; L1217-V1257 PolarHBondContact O-N 3Å; V1218-V1257 CarbonylContact C-O 3.54Å; V1218-V1257 WeakPolarHBondContact CA-O 2.91Å; V1218-V1257 HydrophobicContact CG2-CB 4.46Å; V1219-V1257 PolarHBondContact N-O 3.03Å; V1257-V1259 HydrophobicContact CG1-CG2 4.3Å; V1257-L1269 HydrophobicContact CG1-CD2 3.29Å; V1257-F1271 HydrophobicContact CG2-CD2 3.54Å; V1257-F1271 HydrophobicContact CG2-CE2 3.92Å; V1257-F1271 HydrophobicContact CG2-CG 4.48Å; V1257-I1284 HydrophobicContact CG1-CD1 4.43Å; V1257-I1284 HydrophobicContact CG2-CD1 4.45Å |
| 1258 | Y | 96.3 | Very high | 79.8 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.5 | 170.4 | -62.2 | -87.6 | 0 | 0 | 0 | 109.6 | V1219 V1221 I1227 I1232 I1256 L1269 D1270 Q1272 | V1219-Y1258 HydrophobicContact CB-CD1 3.66Å; V1219-Y1258 HydrophobicContact CB-CE1 3.86Å; V1219-Y1258 HydrophobicContact CG1-CD1 3.94Å; V1219-Y1258 HydrophobicContact CG1-CE1 3.99Å; V1219-Y1258 HydrophobicContact CG2-CD1 4.39Å; V1219-Y1258 HydrophobicContact CG2-CE1 4.15Å; V1219-Y1258 CarbonylContact O-C 3.27Å; V1219-Y1258 VanDerWaalsContact O-CA 3.25Å; V1219-Y1258 WeakPolarHBondContact O-CA 2.68Å; V1221-Y1258 HydrophobicContact CG2-CD1 3.98Å; I1227-Y1258 HydrophobicContact CB-CD1 4.36Å; I1227-Y1258 HydrophobicContact CB-CE1 4.45Å; I1227-Y1258 HydrophobicContact CD1-CD1 4.23Å; I1227-Y1258 HydrophobicContact CD1-CG 3.95Å; I1227-Y1258 HydrophobicContact CG1-CD1 3.78Å; I1227-Y1258 HydrophobicContact CG1-CE1 4.34Å; I1227-Y1258 HydrophobicContact CG1-CG 4.03Å; I1227-Y1258 HydrophobicContact CG2-CD1 3.96Å; I1227-Y1258 HydrophobicContact CG2-CD2 4.11Å; I1227-Y1258 HydrophobicContact CG2-CE1 3.81Å; I1227-Y1258 HydrophobicContact CG2-CE2 3.97Å; I1227-Y1258 HydrophobicContact CG2-CG 4.1Å; I1232-Y1258 HydrophobicContact CD1-CE1 4.37Å; I1232-Y1258 WeakPolarHBondContact CD1-OH 3.25Å; I1232-Y1258 WeakPolarHBondContact CG1-OH 3.46Å; I1256-Y1258 HydrophobicContact CB-CE2 4.15Å; I1256-Y1258 HydrophobicContact CG2-CD2 4Å; I1256-Y1258 HydrophobicContact CG2-CE1 4.17Å; I1256-Y1258 HydrophobicContact CG2-CE2 3.47Å; I1256-Y1258 VanDerWaalsContact CG2-CE2 3.47Å; Y1258-L1269 CarbonylContact O-C 3.52Å; Y1258-L1269 VanDerWaalsContact O-CA 3.29Å; Y1258-L1269 WeakPolarHBondContact O-CA 3.49Å; Y1258-D1270 HydrophobicContact CD2-CB 4.48Å; Y1258-D1270 PolarHBondContact N-O 3.42Å; Y1258-D1270 PolarHBondContact O-N 3.41Å; Y1258-Q1272 HydrophobicContact CE2-CG 4.26Å |
| 1259 | V | 96.3 | Very high | 82 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.6 | 176 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | V1218 V1219 W1220 V1221 V1257 Y1267 L1269 L1295 | V1218-V1259 HydrophobicContact CG1-CG2 3.96Å; V1219-V1259 PolarHBondContact O-N 3.36Å; W1220-V1259 WeakPolarHBondContact CA-O 3.4Å; W1220-V1259 HydrophobicContact CD2-CB 4.27Å; W1220-V1259 HydrophobicContact CD2-CG1 4.11Å; W1220-V1259 HydrophobicContact CE3-CB 3.89Å; W1220-V1259 HydrophobicContact CE3-CG1 3.57Å; W1220-V1259 HydrophobicContact CE3-CG2 4.49Å; W1220-V1259 HydrophobicContact CH2-CG1 4.41Å; W1220-V1259 HydrophobicContact CZ3-CG1 3.76Å; V1221-V1259 PolarHBondContact N-O 3.25Å; V1257-V1259 HydrophobicContact CG1-CG2 4.3Å; V1259-Y1267 HydrophobicContact CG1-CD1 4.06Å; V1259-L1269 HydrophobicContact CG2-CD2 3.85Å; V1259-L1295 HydrophobicContact CG1-CD1 4.2Å; V1259-L1295 HydrophobicContact CG1-CD2 3.82Å; V1259-L1295 HydrophobicContact CG2-CD1 4.35Å |
| 1260 | C | 92.3 | Very high | 84.1 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.5 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | H1224 Y1267 R1268 | H1224-C1260 HydrophobicContact CB-CB 4.42Å; H1224-C1260 PolarHBondContact N-SG 2.81Å; C1260-Y1267 CarbonylContact O-C 3.53Å; C1260-Y1267 WeakPolarHBondContact O-CA 3.42Å; C1260-R1268 PolarHBondContact N-O 2.77Å; C1260-R1268 PolarHBondContact O-N 3.08Å |
| 1261 | R | 90.3 | Very high | 86 | Confident | 107 Ų | 107 | 31.3 Ų | 31.3 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.9 | 177.4 | -174.3 | 177.2 | 178.1 | 176 | 3.1 | 110.1 | D1085 Y1267 | D1085-R1261 IonicContact OD1-NH1 3.31Å; D1085-R1261 IonicContact OD2-NH1 3.1Å; D1085-R1261 PolarHBondContact OD2-NH1 3.33Å; R1261-Y1267 HydrophobicContact CB-CD1 4.06Å; R1261-Y1267 HydrophobicContact CB-CE1 3.75Å; R1261-Y1267 HydrophobicContact CG-CD1 4.36Å; R1261-Y1267 HydrophobicContact CG-CE1 3.76Å |
| 1262 | L | 85 | Confident | 87.5 | Confident | 20 Ų | 20 | 32.3 Ų | 32.3 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | trans | -95.2 | 160.2 | 177.3 | -52.4 | 174.1 | 0 | 0 | 0 | 111.1 | R545 N547 N1264 G1265 L1266 R1268 V1289 | R545-L1262 WeakPolarHBondContact O-CD2 3.22Å; N547-L1262 HydrophobicContact CB-CB 3.96Å; N547-L1262 HydrophobicContact CB-CD1 4.17Å; N547-L1262 HydrophobicContact CB-CD2 4.37Å; N547-L1262 HydrophobicContact CB-CG 4.42Å; N547-L1262 WeakPolarHBondContact ND2-CB 3.39Å; L1262-N1264 VanDerWaalsContact C-N 3.32Å; L1262-N1264 PolarHBondContact O-N 2.97Å; L1262-G1265 PolarHBondContact O-N 3.16Å; L1262-L1266 WeakPolarHBondContact CB-O 3.39Å; L1262-L1266 HydrophobicContact CD1-CB 4.44Å; L1262-L1266 PolarHBondContact N-O 3.05Å; L1262-R1268 HydrophobicContact CD1-CB 4.07Å; L1262-R1268 HydrophobicContact CD2-CB 3.84Å; L1262-R1268 HydrophobicContact CG-CB 4.02Å; L1262-V1289 HydrophobicContact CD1-CG1 3.73Å; L1262-V1289 HydrophobicContact CD1-CG2 4.06Å | ||
| 1263 | V | 76.4 | Confident | 88.7 | Confident | 118 Ų | 118 | 27.7 Ų | 27.7 | 72% | 0.715 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.8 | -176 | -176.2 | 0 | 0 | 0 | 0 | 114.4 | N547 G1265 | N547-V1263 PolarHBondContact ND2-N 2.76Å; V1263-G1265 PolarHBondContact O-N 2.89Å |
| 1264 | N | 74.1 | Confident | 88.9 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 31% | 0.31 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 2.1 | 175.9 | 72.2 | -10.3 | 0 | 0 | 0 | 114 | N547 L1262 L1266 | N547-N1264 WeakPolarHBondContact ND2-CB 3.25Å; N547-N1264 PolarHBondContact ND2-N 3.13Å; N547-N1264 PolarHBondContact ND2-OD1 3.3Å; N547-N1264 VanDerWaalsContact OD1-CG 3.3Å; N547-N1264 PolarHBondContact OD1-ND2 2.98Å; N547-N1264 VanDerWaalsContact OD1-ND2 3.15Å; L1262-N1264 VanDerWaalsContact C-N 3.32Å; L1262-N1264 PolarHBondContact O-N 2.97Å; N1264-L1266 WeakPolarHBondContact ND2-CD1 3.34Å; N1264-L1266 WeakPolarHBondContact OD1-CB 3.42Å; N1264-L1266 WeakPolarHBondContact OD1-CG 3.21Å; N1264-L1266 PolarHBondContact OD1-N 2.95Å; N1264-L1266 VanDerWaalsContact OD1-N 3.08Å |
| 1265 | G | 79.9 | Confident | 88.3 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 29% | 0.289 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 86 | -1.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1262 V1263 Y1267 | L1262-G1265 PolarHBondContact O-N 3.16Å; V1263-G1265 PolarHBondContact O-N 2.89Å; G1265-Y1267 VanDerWaalsContact O-CE2 3.23Å; G1265-Y1267 WeakPolarHBondContact O-CE2 3.47Å |
| 1266 | L | 87.9 | Confident | 87.6 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | trans | -80.6 | 168.9 | 170.5 | -55.8 | -177.2 | 0 | 0 | 0 | 111.4 | F595 C598 F599 L1262 N1264 V1289 N1291 | F595-L1266 HydrophobicContact CD1-CD1 4.45Å; F595-L1266 HydrophobicContact CE1-CD1 4.06Å; C598-L1266 HydrophobicContact CB-CD1 4.28Å; C598-L1266 HydrophobicContact CB-CD2 3.74Å; F599-L1266 HydrophobicContact CE1-CD1 4.05Å; F599-L1266 HydrophobicContact CZ-CD1 4.37Å; L1262-L1266 WeakPolarHBondContact CB-O 3.39Å; L1262-L1266 HydrophobicContact CD1-CB 4.44Å; L1262-L1266 PolarHBondContact N-O 3.05Å; N1264-L1266 WeakPolarHBondContact ND2-CD1 3.34Å; N1264-L1266 WeakPolarHBondContact OD1-CB 3.42Å; N1264-L1266 WeakPolarHBondContact OD1-CG 3.21Å; N1264-L1266 PolarHBondContact OD1-N 2.95Å; N1264-L1266 VanDerWaalsContact OD1-N 3.08Å; L1266-V1289 HydrophobicContact CB-CG1 3.56Å; L1266-V1289 HydrophobicContact CD1-CG1 3.85Å; L1266-V1289 HydrophobicContact CG-CG1 4.36Å; L1266-N1291 HydrophobicContact CD2-CB 4.11Å | ||
| 1267 | Y | 91.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.6 | -176.2 | -61.9 | -90.7 | 0 | 0 | 0 | 110.1 | C1087 W1220 V1259 C1260 R1261 G1265 V1289 L1290 L1292 L1295 | C1087-Y1267 HydrophobicContact CB-CE1 4.49Å; C1087-Y1267 WeakPolarHBondContact CB-OH 3.37Å; C1087-Y1267 PolarHBondContact SG-OH 3.45Å; W1220-Y1267 AromaticContact CH2-CD1 3.76Å; W1220-Y1267 HydrophobicContact CH2-CD1 3.76Å; W1220-Y1267 AromaticContact CH2-CE1 3.34Å; W1220-Y1267 HydrophobicContact CH2-CE1 3.34Å; W1220-Y1267 HydrophobicContact CZ2-CD1 4.07Å; W1220-Y1267 AromaticContact CZ2-CE1 3.52Å; W1220-Y1267 HydrophobicContact CZ2-CE1 3.52Å; W1220-Y1267 HydrophobicContact CZ3-CD1 4.4Å; W1220-Y1267 HydrophobicContact CZ3-CE1 4.36Å; V1259-Y1267 HydrophobicContact CG1-CD1 4.06Å; C1260-Y1267 CarbonylContact O-C 3.53Å; C1260-Y1267 WeakPolarHBondContact O-CA 3.42Å; R1261-Y1267 HydrophobicContact CB-CD1 4.06Å; R1261-Y1267 HydrophobicContact CB-CE1 3.75Å; R1261-Y1267 HydrophobicContact CG-CD1 4.36Å; R1261-Y1267 HydrophobicContact CG-CE1 3.76Å; G1265-Y1267 VanDerWaalsContact O-CE2 3.23Å; G1265-Y1267 WeakPolarHBondContact O-CE2 3.47Å; Y1267-V1289 CarbonylContact O-C 3.52Å; Y1267-V1289 VanDerWaalsContact O-CA 3.27Å; Y1267-V1289 WeakPolarHBondContact O-CA 3.42Å; Y1267-L1290 PolarHBondContact N-O 3.48Å; Y1267-L1290 PolarHBondContact O-N 2.81Å; Y1267-L1292 HydrophobicContact CD2-CB 4.34Å; Y1267-L1292 HydrophobicContact CE2-CB 3.74Å; Y1267-L1292 HydrophobicContact CE2-CD1 3.94Å; Y1267-L1292 HydrophobicContact CE2-CG 4.35Å; Y1267-L1295 HydrophobicContact CG-CD2 4.45Å |
| 1268 | R | 91.8 | Very high | 85.9 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 135.2 | 171.4 | 175.9 | 176.6 | 170.1 | -164.7 | -15.4 | 109.9 | H1224 C1260 L1262 D1270 V1289 | H1224-R1268 VanDerWaalsContact CD2-CZ 3.46Å; H1224-R1268 PolarHBondContact CD2-NH1 3.16Å; H1224-R1268 PolarHBondContact NE2-NH1 2.9Å; H1224-R1268 VanDerWaalsContact NE2-NH1 3.15Å; H1224-R1268 PolarHBondContact NE2-NH2 3.33Å; C1260-R1268 PolarHBondContact N-O 2.77Å; C1260-R1268 PolarHBondContact O-N 3.08Å; L1262-R1268 HydrophobicContact CD1-CB 4.07Å; L1262-R1268 HydrophobicContact CD2-CB 3.84Å; L1262-R1268 HydrophobicContact CG-CB 4.02Å; R1268-D1270 IonicContact CZ-OD1 2.7Å; R1268-D1270 VanDerWaalsContact CZ-OD1 3.27Å; R1268-D1270 IonicContact CZ-OD2 3.28Å; R1268-D1270 IonicContact NE-OD1 3.72Å; R1268-D1270 PolarHBondContact NE-OD1 3.37Å; R1268-D1270 IonicContact NE-OD2 3.03Å; R1268-D1270 VanDerWaalsContact NH2-CG 3.29Å; R1268-D1270 IonicContact NH2-OD1 3.12Å; R1268-D1270 PolarHBondContact NH2-OD1 3.13Å; R1268-D1270 IonicContact NH2-OD2 3.38Å; R1268-D1270 PolarHBondContact NH2-OD2 3.24Å; R1268-V1289 HydrophobicContact CB-CG2 4.41Å |
| 1269 | L | 94.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.7 | 177.1 | -73 | 156.2 | 0 | 0 | 0 | 109.6 | V1257 Y1258 V1259 I1284 G1287 L1288 L1290 L1295 | V1257-L1269 HydrophobicContact CG1-CD2 3.29Å; Y1258-L1269 CarbonylContact O-C 3.52Å; Y1258-L1269 VanDerWaalsContact O-CA 3.29Å; Y1258-L1269 WeakPolarHBondContact O-CA 3.49Å; V1259-L1269 HydrophobicContact CG2-CD2 3.85Å; L1269-I1284 HydrophobicContact CB-CG2 4.38Å; L1269-I1284 HydrophobicContact CD2-CD1 4.48Å; L1269-G1287 CarbonylContact O-C 3.28Å; L1269-G1287 WeakPolarHBondContact O-CA 3.3Å; L1269-G1287 PolarHBondContact O-N 3.42Å; L1269-L1288 HydrophobicContact CB-CB 4.36Å; L1269-L1288 WeakPolarHBondContact CB-O 3.48Å; L1269-L1288 HydrophobicContact CD1-CB 4.43Å; L1269-L1288 HydrophobicContact CD1-CD2 4.16Å; L1269-L1288 HydrophobicContact CD1-CG 4.35Å; L1269-L1288 PolarHBondContact N-O 2.78Å; L1269-L1288 PolarHBondContact O-N 2.82Å; L1269-L1290 HydrophobicContact CD1-CD1 3.44Å; L1269-L1290 VanDerWaalsContact CD1-CD1 3.44Å; L1269-L1290 HydrophobicContact CD1-CG 3.87Å; L1269-L1295 HydrophobicContact CD1-CD1 3.95Å; L1269-L1295 HydrophobicContact CD2-CD1 3.67Å; L1269-L1295 HydrophobicContact CG-CD1 4Å |
| 1270 | D | 92.5 | Very high | 84.6 | Confident | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.6 | 168.9 | -65.9 | -16.5 | 0 | 0 | 0 | 108.7 | H1224 Y1258 R1268 | H1224-D1270 IonicContact CD2-OD2 2.71Å; H1224-D1270 PolarHBondContact CD2-OD2 3.27Å; H1224-D1270 VanDerWaalsContact CD2-OD2 3.32Å; H1224-D1270 IonicContact NE2-OD2 3.87Å; H1224-D1270 PolarHBondContact NE2-OD2 3.32Å; Y1258-D1270 HydrophobicContact CD2-CB 4.48Å; Y1258-D1270 PolarHBondContact N-O 3.42Å; Y1258-D1270 PolarHBondContact O-N 3.41Å; R1268-D1270 IonicContact CZ-OD1 2.7Å; R1268-D1270 VanDerWaalsContact CZ-OD1 3.27Å; R1268-D1270 IonicContact CZ-OD2 3.28Å; R1268-D1270 IonicContact NE-OD1 3.72Å; R1268-D1270 PolarHBondContact NE-OD1 3.37Å; R1268-D1270 IonicContact NE-OD2 3.03Å; R1268-D1270 VanDerWaalsContact NH2-CG 3.29Å; R1268-D1270 IonicContact NH2-OD1 3.12Å; R1268-D1270 PolarHBondContact NH2-OD1 3.13Å; R1268-D1270 IonicContact NH2-OD2 3.38Å; R1268-D1270 PolarHBondContact NH2-OD2 3.24Å |
| 1271 | F | 93.6 | Very high | 84.5 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 112.5 | -170.1 | -178.1 | -138.1 | 0 | 0 | 0 | 111.1 | F1216 Y1255 V1257 C1273 P1281 I1284 D1286 T1302 | F1216-F1271 HydrophobicContact CZ-CE2 4.25Å; Y1255-F1271 HydrophobicContact CD1-CE2 4.25Å; Y1255-F1271 HydrophobicContact CD1-CZ 4.02Å; V1257-F1271 HydrophobicContact CG2-CD2 3.54Å; V1257-F1271 HydrophobicContact CG2-CE2 3.92Å; V1257-F1271 HydrophobicContact CG2-CG 4.48Å; F1271-C1273 HydrophobicContact CE1-CB 4.36Å; F1271-C1273 HydrophobicContact CZ-CB 4.3Å; F1271-P1281 WeakPolarHBondContact CE1-O 3.47Å; F1271-P1281 HydrophobicContact CZ-CG 4.18Å; F1271-I1284 HydrophobicContact CB-CG2 3.86Å; F1271-I1284 HydrophobicContact CD1-CG2 4.31Å; F1271-I1284 HydrophobicContact CG-CG2 4.06Å; F1271-D1286 PolarHBondContact N-OD1 3.46Å; F1271-T1302 HydrophobicContact CE1-CG2 4.28Å; F1271-T1302 HydrophobicContact CE2-CG2 4.34Å; F1271-T1302 HydrophobicContact CZ-CG2 3.87Å |
| 1272 | Q | 90.1 | Very high | 84.4 | Confident | 94 Ų | 94 | 42.7 Ų | 42.7 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.9 | 175.2 | -61.6 | -179.9 | 0.4 | 0 | 0 | 109.1 | Y1255 I1256 Y1258 | Y1255-Q1272 WeakPolarHBondContact CA-O 3.38Å; I1256-Q1272 HydrophobicContact CB-CB 4.29Å; I1256-Q1272 PolarHBondContact N-O 3.44Å; I1256-Q1272 PolarHBondContact O-N 3.27Å; Y1258-Q1272 HydrophobicContact CE2-CG 4.26Å |
| 1273 | C | 84.8 | Confident | 84.6 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 31% | 0.311 | 22% | 0.223 | S | C | . | . | trans | -107.6 | 144.7 | 175.4 | 43.2 | 0 | 0 | 0 | 0 | 110.8 | Y1255 F1271 C1280 | Y1255-C1273 HydrophobicContact CD1-CB 4.24Å; Y1255-C1273 HydrophobicContact CE1-CB 4.27Å; F1271-C1273 HydrophobicContact CE1-CB 4.36Å; F1271-C1273 HydrophobicContact CZ-CB 4.3Å; C1273-C1280 HydrophobicContact CB-CB 3.83Å; C1273-C1280 WeakPolarHBondContact CB-SG 3.41Å; C1273-C1280 WeakPolarHBondContact SG-CB 3.38Å; C1273-C1280 CovalentContact SG-SG 2.05Å; C1273-C1280 PolarHBondContact SG-SG 2.86Å | ||
| 1274 | P | 80 | Confident | 85.4 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | trans | -66.2 | 152.6 | 171.9 | 30.4 | -32.7 | 0 | 0 | 0 | 110 | Y1214 E1252 L1254 Y1255 S1276 | Y1214-P1274 HydrophobicContact CD1-CB 4.38Å; Y1214-P1274 HydrophobicContact CD1-CG 3.81Å; Y1214-P1274 HydrophobicContact CE1-CB 4Å; Y1214-P1274 HydrophobicContact CE1-CG 3.69Å; E1252-P1274 WeakPolarHBondContact O-CB 3.37Å; L1254-P1274 WeakPolarHBondContact O-CD 3.34Å; Y1255-P1274 VanDerWaalsContact CD1-CD 3.46Å; Y1255-P1274 HydrophobicContact CD1-CG 4.28Å; Y1255-P1274 HydrophobicContact CD2-CG 4.23Å; Y1255-P1274 VanDerWaalsContact CE1-CD 3.4Å; Y1255-P1274 HydrophobicContact CE1-CG 3.9Å; Y1255-P1274 HydrophobicContact CE2-CG 3.84Å; Y1255-P1274 HydrophobicContact CG-CG 4.44Å; P1274-S1276 PolarHBondContact O-N 3.27Å | ||
| 1275 | H | 74 | Confident | 86.2 | Confident | 191 Ų | 191 | 33.8 Ų | 33.8 | 88% | 0.884 | 18% | 0.177 | S | C | * | . | trans | -70.2 | 100 | 179.8 | -169.3 | 71 | 0 | 0 | 0 | 110.6 | ||||
| 1276 | S | 76.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | trans | -112.7 | 142.5 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | P1274 L1278 G1279 E1313 | P1274-S1276 PolarHBondContact O-N 3.27Å; S1276-L1278 PolarHBondContact O-N 2.81Å; S1276-L1278 WeakPolarHBondContact OG-CB 2.94Å; S1276-L1278 PolarHBondContact OG-N 3.25Å; S1276-G1279 PolarHBondContact O-N 3.28Å; S1276-E1313 WeakPolarHBondContact CB-OE1 3.46Å; S1276-E1313 PolarHBondContact OG-OE1 3.48Å | ||
| 1277 | K | 75.5 | Confident | 86.6 | Confident | 181 Ų | 181 | 34.2 Ų | 34.2 | 79% | 0.787 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.9 | 169.8 | -67.6 | -175.4 | 179.2 | -176.9 | 0 | 112.7 | G1279 | K1277-G1279 VanDerWaalsContact C-N 3.27Š|
| 1278 | L | 79.7 | Confident | 86.6 | Confident | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.5 | 177.8 | -55.4 | -170.6 | 0 | 0 | 0 | 112.5 | L691 S1276 R1309 L1312 E1313 | L691-L1278 HydrophobicContact CD1-CB 3.8Å; L691-L1278 HydrophobicContact CD1-CD1 4.18Å; L691-L1278 HydrophobicContact CD1-CD2 3.77Å; L691-L1278 HydrophobicContact CD1-CG 4.12Å; S1276-L1278 PolarHBondContact O-N 2.81Å; S1276-L1278 WeakPolarHBondContact OG-CB 2.94Å; S1276-L1278 PolarHBondContact OG-N 3.25Å; L1278-R1309 HydrophobicContact CD1-CB 4.49Å; L1278-R1309 PolarHBondContact O-NH1 3.33Å; L1278-L1312 HydrophobicContact CD1-CB 4.03Å; L1278-E1313 HydrophobicContact CD1-CG 3.39Å; L1278-E1313 HydrophobicContact CG-CG 4.03Å |
| 1279 | G | 82.3 | Confident | 86.6 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | trans | 80.7 | -175.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1276 K1277 R1309 | S1276-G1279 PolarHBondContact O-N 3.28Å; K1277-G1279 VanDerWaalsContact C-N 3.27Å; G1279-R1309 PolarHBondContact O-NH1 3.39Å | ||
| 1280 | C | 84.8 | Confident | 86.3 | Confident | 44 Ų | 44 | 32.8 Ų | 32.8 | 30% | 0.297 | 17% | 0.167 | S | C | . | . | trans | -93.7 | 134.4 | 179.1 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | C1273 R1309 | C1273-C1280 HydrophobicContact CB-CB 3.83Å; C1273-C1280 WeakPolarHBondContact CB-SG 3.41Å; C1273-C1280 WeakPolarHBondContact SG-CB 3.38Å; C1273-C1280 CovalentContact SG-SG 2.05Å; C1273-C1280 PolarHBondContact SG-SG 2.86Å; C1280-R1309 PolarHBondContact O-NH1 3.18Å; C1280-R1309 VanDerWaalsContact O-NH1 3.1Å; C1280-R1309 PolarHBondContact O-NH2 3.22Å | ||
| 1281 | P | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -72.3 | 129.3 | -178.9 | 28.4 | -32.3 | 0 | 0 | 0 | 111.5 | Y1255 F1271 N1305 A1306 | Y1255-P1281 HydrophobicContact CD1-CG 4.26Å; Y1255-P1281 HydrophobicContact CE1-CG 3.76Å; F1271-P1281 WeakPolarHBondContact CE1-O 3.47Å; F1271-P1281 HydrophobicContact CZ-CG 4.18Å; P1281-N1305 HydrophobicContact CB-CB 3.84Å; P1281-A1306 HydrophobicContact CB-CB 4.36Å; P1281-A1306 HydrophobicContact CG-CB 3.82Å | ||
| 1282 | G | 87.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -84.6 | -174.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1302 N1305 | G1282-T1302 WeakPolarHBondContact O-CA 3.2Å; G1282-T1302 PolarHBondContact O-OG1 3.31Å; G1282-N1305 PolarHBondContact O-ND2 2.65Å |
| 1283 | P | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | cis | -80.4 | -16.4 | 1.4 | 33.9 | -40.4 | 0 | 0 | 0 | 114.7 | T699 V1285 F1298 H1301 T1302 | T699-P1283 HydrophobicContact CG2-CB 4.08Å; T699-P1283 HydrophobicContact CG2-CG 3.83Å; P1283-V1285 PolarHBondContact O-N 3.1Å; P1283-F1298 HydrophobicContact CB-CD1 4.04Å; P1283-F1298 HydrophobicContact CB-CE1 3.94Å; P1283-F1298 HydrophobicContact CG-CD1 3.73Å; P1283-F1298 HydrophobicContact CG-CE1 4.1Å; P1283-F1298 HydrophobicContact CG-CG 4.37Å; P1283-H1301 HydrophobicContact CG-CB 4.15Å; P1283-T1302 VanDerWaalsContact CD-OG1 3.26Å; P1283-T1302 WeakPolarHBondContact CD-OG1 3.09Å |
| 1284 | I | 93.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -61.8 | 127.7 | 174.4 | -64.5 | 175.2 | 0 | 0 | 0 | 108.8 | V1257 L1269 F1271 F1298 V1299 T1302 | V1257-I1284 HydrophobicContact CG1-CD1 4.43Å; V1257-I1284 HydrophobicContact CG2-CD1 4.45Å; L1269-I1284 HydrophobicContact CB-CG2 4.38Å; L1269-I1284 HydrophobicContact CD2-CD1 4.48Å; F1271-I1284 HydrophobicContact CB-CG2 3.86Å; F1271-I1284 HydrophobicContact CD1-CG2 4.31Å; F1271-I1284 HydrophobicContact CG-CG2 4.06Å; I1284-F1298 HydrophobicContact CD1-CB 4.19Å; I1284-F1298 HydrophobicContact CG1-CB 3.89Å; I1284-F1298 HydrophobicContact CG1-CD1 4.08Å; I1284-V1299 HydrophobicContact CD1-CG2 3.96Å; I1284-T1302 HydrophobicContact CB-CG2 4.23Å; I1284-T1302 WeakPolarHBondContact CB-OG1 3.42Å; I1284-T1302 WeakPolarHBondContact CG1-OG1 3.4Å; I1284-T1302 PolarHBondContact N-OG1 3.12Å | ||
| 1285 | V | 90.7 | Very high | 86.4 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | trans | -118.6 | 155.9 | 170.4 | -62.5 | 0 | 0 | 0 | 0 | 108.7 | L636 N639 L640 P1283 G1287 L1288 | L636-V1285 HydrophobicContact CD1-CB 3.95Å; L636-V1285 HydrophobicContact CD1-CG1 3.88Å; L636-V1285 HydrophobicContact CD1-CG2 4.38Å; N639-V1285 HydrophobicContact CB-CG1 3.45Å; N639-V1285 VanDerWaalsContact CB-CG1 3.45Å; L640-V1285 HydrophobicContact CD2-CG2 3.65Å; L640-V1285 HydrophobicContact CG-CG2 4.49Å; P1283-V1285 PolarHBondContact O-N 3.1Å; V1285-G1287 PolarHBondContact O-N 2.91Å; V1285-L1288 HydrophobicContact CG2-CB 4.09Å; V1285-L1288 VanDerWaalsContact O-CB 3.27Å; V1285-L1288 WeakPolarHBondContact O-CB 3.39Å; V1285-L1288 PolarHBondContact O-N 3.08Å | ||
| 1286 | D | 89.1 | Confident | 87.3 | Confident | 48 Ų | 48 | 22.2 Ų | 22.2 | 26% | 0.257 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 126.3 | 179.6 | 177.9 | 56.1 | 0 | 0 | 0 | 111.9 | R545 R587 F1271 | R545-D1286 PolarHBondContact NH2-O 3.14Å; R587-D1286 IonicContact CZ-OD2 2.73Å; R587-D1286 IonicContact NH1-OD2 2.67Å; R587-D1286 PolarHBondContact NH1-OD2 2.61Å; F1271-D1286 PolarHBondContact N-OD1 3.46Å |
| 1287 | G | 86.4 | Confident | 88 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 21.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R545 A591 L1269 V1285 | R545-G1287 PolarHBondContact NE-O 3.13Å; A591-G1287 WeakPolarHBondContact CA-O 3.31Å; L1269-G1287 CarbonylContact O-C 3.28Å; L1269-G1287 WeakPolarHBondContact O-CA 3.3Å; L1269-G1287 PolarHBondContact O-N 3.42Å; V1285-G1287 PolarHBondContact O-N 2.91Å |
| 1288 | L | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 139.7 | 168.3 | -179.3 | 64 | 0 | 0 | 0 | 110.2 | S590 V593 T594 L1269 V1285 L1290 F1298 | S590-L1288 WeakPolarHBondContact O-CD1 3.29Å; V593-L1288 HydrophobicContact CG1-CD1 3.33Å; T594-L1288 HydrophobicContact CG2-CD1 4.47Å; L1269-L1288 HydrophobicContact CB-CB 4.36Å; L1269-L1288 WeakPolarHBondContact CB-O 3.48Å; L1269-L1288 HydrophobicContact CD1-CB 4.43Å; L1269-L1288 HydrophobicContact CD1-CD2 4.16Å; L1269-L1288 HydrophobicContact CD1-CG 4.35Å; L1269-L1288 PolarHBondContact N-O 2.78Å; L1269-L1288 PolarHBondContact O-N 2.82Å; V1285-L1288 HydrophobicContact CG2-CB 4.09Å; V1285-L1288 VanDerWaalsContact O-CB 3.27Å; V1285-L1288 WeakPolarHBondContact O-CB 3.39Å; V1285-L1288 PolarHBondContact O-N 3.08Å; L1288-L1290 HydrophobicContact CD1-CD2 4.22Å; L1288-L1290 HydrophobicContact CD2-CD1 4.08Å; L1288-L1290 HydrophobicContact CD2-CD2 4.03Å; L1288-L1290 HydrophobicContact CD2-CG 4.08Å; L1288-L1290 HydrophobicContact CG-CD2 4Å; L1288-L1290 HydrophobicContact CG-CG 4.02Å; L1288-F1298 HydrophobicContact CD2-CD1 3.7Å; L1288-F1298 HydrophobicContact CD2-CE1 3.68Å |
| 1289 | V | 90.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.5 | 173.2 | -179 | 0 | 0 | 0 | 0 | 108.8 | A591 T594 F595 L1262 L1266 Y1267 R1268 | A591-V1289 HydrophobicContact CB-CG2 4.01Å; A591-V1289 VanDerWaalsContact O-CB 3.29Å; A591-V1289 WeakPolarHBondContact O-CB 3.34Å; T594-V1289 PolarHBondContact OG1-O 3.31Å; F595-V1289 HydrophobicContact CE1-CB 4.27Å; F595-V1289 HydrophobicContact CE1-CG1 4.19Å; L1262-V1289 HydrophobicContact CD1-CG1 3.73Å; L1262-V1289 HydrophobicContact CD1-CG2 4.06Å; L1266-V1289 HydrophobicContact CB-CG1 3.56Å; L1266-V1289 HydrophobicContact CD1-CG1 3.85Å; L1266-V1289 HydrophobicContact CG-CG1 4.36Å; Y1267-V1289 CarbonylContact O-C 3.52Å; Y1267-V1289 VanDerWaalsContact O-CA 3.27Å; Y1267-V1289 WeakPolarHBondContact O-CA 3.42Å; R1268-V1289 HydrophobicContact CB-CG2 4.41Å |
| 1290 | L | 90.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 159.2 | -177.6 | -62.1 | -179.5 | 0 | 0 | 0 | 111.3 | T594 Y1267 L1269 L1288 L1294 F1298 | T594-L1290 HydrophobicContact CG2-CD2 3.43Å; T594-L1290 VanDerWaalsContact CG2-CD2 3.43Å; Y1267-L1290 PolarHBondContact N-O 3.48Å; Y1267-L1290 PolarHBondContact O-N 2.81Å; L1269-L1290 HydrophobicContact CD1-CD1 3.44Å; L1269-L1290 VanDerWaalsContact CD1-CD1 3.44Å; L1269-L1290 HydrophobicContact CD1-CG 3.87Å; L1288-L1290 HydrophobicContact CD1-CD2 4.22Å; L1288-L1290 HydrophobicContact CD2-CD1 4.08Å; L1288-L1290 HydrophobicContact CD2-CD2 4.03Å; L1288-L1290 HydrophobicContact CD2-CG 4.08Å; L1288-L1290 HydrophobicContact CG-CD2 4Å; L1288-L1290 HydrophobicContact CG-CG 4.02Å; L1290-L1294 HydrophobicContact CB-CB 4.24Å; L1290-L1294 HydrophobicContact CD1-CB 4.26Å; L1290-L1294 HydrophobicContact CD2-CB 4.3Å; L1290-L1294 HydrophobicContact CD2-CD1 4.29Å; L1290-F1298 HydrophobicContact CD1-CB 3.75Å; L1290-F1298 HydrophobicContact CD1-CD1 3.94Å; L1290-F1298 HydrophobicContact CD1-CD2 3.71Å; L1290-F1298 HydrophobicContact CD1-CE1 4.45Å; L1290-F1298 HydrophobicContact CD1-CE2 4.2Å; L1290-F1298 HydrophobicContact CD1-CG 3.53Å; L1290-F1298 HydrophobicContact CD2-CD2 4.34Å; L1290-F1298 HydrophobicContact CD2-CE1 4.32Å; L1290-F1298 HydrophobicContact CD2-CE2 3.99Å; L1290-F1298 HydrophobicContact CD2-CZ 3.99Å |
| 1291 | N | 87.6 | Confident | 90.2 | Very high | 29 Ų | 29 | 12.8 Ų | 12.8 | 16% | 0.155 | 7% | 0.066 | C | C | . | . | trans | -76.1 | 169.4 | 160.7 | 72.3 | -6.8 | 0 | 0 | 0 | 110.7 | C598 L1266 D1293 L1294 L1295 | C598-N1291 HydrophobicContact CB-CB 4.22Å; C598-N1291 PolarHBondContact SG-N 3.41Å; L1266-N1291 HydrophobicContact CD2-CB 4.11Å; N1291-D1293 VanDerWaalsContact C-N 3.31Å; N1291-D1293 PolarHBondContact O-N 2.91Å; N1291-L1294 PolarHBondContact O-N 2.97Å; N1291-L1294 WeakPolarHBondContact OD1-CB 3.36Å; N1291-L1294 WeakPolarHBondContact OD1-CD1 3.38Å; N1291-L1294 WeakPolarHBondContact OD1-CG 3.46Å; N1291-L1294 PolarHBondContact OD1-N 2.93Å; N1291-L1295 PolarHBondContact O-N 3.33Å | ||
| 1292 | L | 89.4 | Confident | 90.4 | Very high | 32 Ų | 32 | 12.8 Ų | 12.8 | 17% | 0.168 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62 | -36.8 | -176.3 | -173.7 | 56.8 | 0 | 0 | 0 | 113.1 | C1087 A1090 F1091 W1220 Y1267 L1294 L1295 | C1087-L1292 HydrophobicContact CB-CD1 4.31Å; C1087-L1292 HydrophobicContact CB-CD2 3.89Å; C1087-L1292 WeakPolarHBondContact O-CD1 3.31Å; A1090-L1292 HydrophobicContact CB-CD2 3.9Å; F1091-L1292 HydrophobicContact CB-CD1 4.07Å; W1220-L1292 HydrophobicContact CH2-CD1 4.46Å; Y1267-L1292 HydrophobicContact CD2-CB 4.34Å; Y1267-L1292 HydrophobicContact CE2-CB 3.74Å; Y1267-L1292 HydrophobicContact CE2-CD1 3.94Å; Y1267-L1292 HydrophobicContact CE2-CG 4.35Å; L1292-L1294 PolarHBondContact O-N 3Å; L1292-L1295 HydrophobicContact CD1-CD2 4.42Å; L1292-L1295 WeakPolarHBondContact O-CB 3.22Å; L1292-L1295 PolarHBondContact O-N 3.18Å |
| 1293 | D | 85.9 | Confident | 90.6 | Very high | 85 Ų | 85 | 12.8 Ų | 12.8 | 46% | 0.455 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -71.2 | -30.6 | -175.3 | -59 | -37.9 | 0 | 0 | 0 | 112.8 | F650 N1291 P1297 | F650-D1293 HydrophobicContact CE1-CB 3.7Å; F650-D1293 HydrophobicContact CZ-CB 3.77Å; N1291-D1293 VanDerWaalsContact C-N 3.31Å; N1291-D1293 PolarHBondContact O-N 2.91Å; D1293-P1297 VanDerWaalsContact O-CD 3.27Å; D1293-P1297 WeakPolarHBondContact O-CD 3.44Å; D1293-P1297 WeakPolarHBondContact O-CG 3.35Å |
| 1294 | L | 88.3 | Confident | 90.5 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -80 | -21.7 | 176 | -71.3 | 174.5 | 0 | 0 | 0 | 113.2 | F646 F650 L1290 N1291 L1292 A1296 P1297 F1298 | F646-L1294 HydrophobicContact CD1-CD2 4.26Å; F646-L1294 HydrophobicContact CE1-CD2 4.21Å; F650-L1294 HydrophobicContact CB-CD2 3.5Å; F650-L1294 VanDerWaalsContact CB-CD2 3.5Å; F650-L1294 HydrophobicContact CD1-CD2 3.37Å; F650-L1294 HydrophobicContact CD1-CG 4.01Å; F650-L1294 HydrophobicContact CD2-CD2 3.92Å; F650-L1294 HydrophobicContact CE1-CD2 4.06Å; F650-L1294 HydrophobicContact CE1-CG 4.39Å; F650-L1294 HydrophobicContact CG-CD2 3.3Å; F650-L1294 HydrophobicContact CG-CG 4.39Å; L1290-L1294 HydrophobicContact CB-CB 4.24Å; L1290-L1294 HydrophobicContact CD1-CB 4.26Å; L1290-L1294 HydrophobicContact CD2-CB 4.3Å; L1290-L1294 HydrophobicContact CD2-CD1 4.29Å; N1291-L1294 PolarHBondContact O-N 2.97Å; N1291-L1294 WeakPolarHBondContact OD1-CB 3.36Å; N1291-L1294 WeakPolarHBondContact OD1-CD1 3.38Å; N1291-L1294 WeakPolarHBondContact OD1-CG 3.46Å; N1291-L1294 PolarHBondContact OD1-N 2.93Å; L1292-L1294 PolarHBondContact O-N 3Å; L1294-A1296 PolarHBondContact O-N 2.9Å; L1294-P1297 WeakPolarHBondContact O-CD 3.32Å; L1294-F1298 HydrophobicContact CB-CD2 4.09Å; L1294-F1298 HydrophobicContact CB-CE2 4.17Å; L1294-F1298 HydrophobicContact CD2-CE2 4.13Å; L1294-F1298 WeakPolarHBondContact O-CB 3.4Å; L1294-F1298 VanDerWaalsContact O-CD2 3.24Å; L1294-F1298 WeakPolarHBondContact O-CD2 3.42Å; L1294-F1298 PolarHBondContact O-N 3.12Å; L1294-F1298 VanDerWaalsContact O-N 3.08Å |
| 1295 | L | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.2 | -53.9 | -171.1 | -173.3 | 64.5 | 0 | 0 | 0 | 112.8 | F1091 W1220 V1259 Y1267 L1269 N1291 L1292 F1298 V1299 | F1091-L1295 HydrophobicContact CB-CD2 4.28Å; F1091-L1295 HydrophobicContact CD2-CB 4.1Å; F1091-L1295 HydrophobicContact CD2-CD2 3.38Å; F1091-L1295 HydrophobicContact CD2-CG 3.6Å; F1091-L1295 HydrophobicContact CE2-CB 4.39Å; F1091-L1295 HydrophobicContact CE2-CD2 3.79Å; F1091-L1295 HydrophobicContact CE2-CG 3.64Å; F1091-L1295 HydrophobicContact CG-CD2 3.87Å; W1220-L1295 HydrophobicContact CH2-CD2 4.39Å; W1220-L1295 HydrophobicContact CZ3-CD2 3.67Å; V1259-L1295 HydrophobicContact CG1-CD1 4.2Å; V1259-L1295 HydrophobicContact CG1-CD2 3.82Å; V1259-L1295 HydrophobicContact CG2-CD1 4.35Å; Y1267-L1295 HydrophobicContact CG-CD2 4.45Å; L1269-L1295 HydrophobicContact CD1-CD1 3.95Å; L1269-L1295 HydrophobicContact CD2-CD1 3.67Å; L1269-L1295 HydrophobicContact CG-CD1 4Å; N1291-L1295 PolarHBondContact O-N 3.33Å; L1292-L1295 HydrophobicContact CD1-CD2 4.42Å; L1292-L1295 WeakPolarHBondContact O-CB 3.22Å; L1292-L1295 PolarHBondContact O-N 3.18Å; L1295-F1298 PolarHBondContact O-N 2.82Å; L1295-V1299 WeakPolarHBondContact O-CG2 3.41Å; L1295-V1299 PolarHBondContact O-N 3.4Å |
| 1296 | A | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1091 N1094 L1095 L1294 F1298 V1299 R1300 | F1091-A1296 HydrophobicContact CD2-CB 4.08Å; F1091-A1296 HydrophobicContact CE2-CB 4.11Å; N1094-A1296 VanDerWaalsContact C-CB 3.47Å; N1094-A1296 HydrophobicContact CB-CB 3.71Å; N1094-A1296 VanDerWaalsContact O-CB 3.29Å; N1094-A1296 WeakPolarHBondContact O-CB 3.37Å; L1095-A1296 HydrophobicContact CD2-CB 3.8Å; L1095-A1296 HydrophobicContact CG-CB 4.06Å; L1294-A1296 PolarHBondContact O-N 2.9Å; A1296-F1298 PolarHBondContact O-N 3.13Å; A1296-V1299 PolarHBondContact O-N 3.44Å; A1296-R1300 WeakPolarHBondContact O-CG 3.4Å; A1296-R1300 PolarHBondContact O-N 3.03Å |
| 1297 | P | 89.8 | Confident | 89.9 | Confident | 12 Ų | 12 | 12.7 Ų | 12.7 | 8% | 0.078 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55.2 | -45.3 | 172.3 | -24.7 | 29.7 | 0 | 0 | 0 | 113.9 | F646 F650 D1293 L1294 V1299 R1300 H1301 | F646-P1297 HydrophobicContact CE1-CB 3.82Å; F646-P1297 HydrophobicContact CZ-CB 3.64Å; F650-P1297 HydrophobicContact CE2-CG 4.34Å; D1293-P1297 VanDerWaalsContact O-CD 3.27Å; D1293-P1297 WeakPolarHBondContact O-CD 3.44Å; D1293-P1297 WeakPolarHBondContact O-CG 3.35Å; L1294-P1297 WeakPolarHBondContact O-CD 3.32Å; P1297-V1299 PolarHBondContact O-N 3.06Å; P1297-R1300 PolarHBondContact O-N 3.18Å; P1297-H1301 PolarHBondContact O-CD2 3.17Å; P1297-H1301 PolarHBondContact O-N 2.82Å |
| 1298 | F | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 178.4 | -92.6 | -105 | 0 | 0 | 0 | 111.8 | A643 F646 P1283 I1284 L1288 L1290 L1294 L1295 A1296 R1300 H1301 T1302 | A643-F1298 HydrophobicContact CB-CE1 3.69Å; A643-F1298 HydrophobicContact CB-CZ 4Å; F646-F1298 HydrophobicContact CB-CE2 4.42Å; F646-F1298 HydrophobicContact CB-CZ 4.22Å; F646-F1298 AromaticContact CD1-CD2 3.77Å; F646-F1298 HydrophobicContact CD1-CD2 3.77Å; F646-F1298 AromaticContact CD1-CE2 3.23Å; F646-F1298 HydrophobicContact CD1-CE2 3.23Å; F646-F1298 AromaticContact CD1-CZ 3.88Å; F646-F1298 HydrophobicContact CD1-CZ 3.88Å; F646-F1298 AromaticContact CE1-CD2 3.74Å; F646-F1298 HydrophobicContact CE1-CD2 3.74Å; F646-F1298 AromaticContact CE1-CE2 3.7Å; F646-F1298 HydrophobicContact CE1-CE2 3.7Å; F646-F1298 HydrophobicContact CG-CE2 4.04Å; F646-F1298 HydrophobicContact CG-CZ 4.26Å; P1283-F1298 HydrophobicContact CB-CD1 4.04Å; P1283-F1298 HydrophobicContact CB-CE1 3.94Å; P1283-F1298 HydrophobicContact CG-CD1 3.73Å; P1283-F1298 HydrophobicContact CG-CE1 4.1Å; P1283-F1298 HydrophobicContact CG-CG 4.37Å; I1284-F1298 HydrophobicContact CD1-CB 4.19Å; I1284-F1298 HydrophobicContact CG1-CB 3.89Å; I1284-F1298 HydrophobicContact CG1-CD1 4.08Å; L1288-F1298 HydrophobicContact CD2-CD1 3.7Å; L1288-F1298 HydrophobicContact CD2-CE1 3.68Å; L1290-F1298 HydrophobicContact CD1-CB 3.75Å; L1290-F1298 HydrophobicContact CD1-CD1 3.94Å; L1290-F1298 HydrophobicContact CD1-CD2 3.71Å; L1290-F1298 HydrophobicContact CD1-CE1 4.45Å; L1290-F1298 HydrophobicContact CD1-CE2 4.2Å; L1290-F1298 HydrophobicContact CD1-CG 3.53Å; L1290-F1298 HydrophobicContact CD2-CD2 4.34Å; L1290-F1298 HydrophobicContact CD2-CE1 4.32Å; L1290-F1298 HydrophobicContact CD2-CE2 3.99Å; L1290-F1298 HydrophobicContact CD2-CZ 3.99Å; L1294-F1298 HydrophobicContact CB-CD2 4.09Å; L1294-F1298 HydrophobicContact CB-CE2 4.17Å; L1294-F1298 HydrophobicContact CD2-CE2 4.13Å; L1294-F1298 WeakPolarHBondContact O-CB 3.4Å; L1294-F1298 VanDerWaalsContact O-CD2 3.24Å; L1294-F1298 WeakPolarHBondContact O-CD2 3.42Å; L1294-F1298 PolarHBondContact O-N 3.12Å; L1294-F1298 VanDerWaalsContact O-N 3.08Å; L1295-F1298 PolarHBondContact O-N 2.82Å; A1296-F1298 PolarHBondContact O-N 3.13Å; F1298-R1300 PolarHBondContact O-N 3.27Å; F1298-H1301 PolarHBondContact O-N 3.07Å; F1298-T1302 PolarHBondContact O-N 2.98Å; F1298-T1302 PolarHBondContact O-OG1 2.73Å |
| 1299 | V | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | F1091 L1095 V1218 I1284 L1295 A1296 P1297 H1301 T1302 V1303 | F1091-V1299 HydrophobicContact CE2-CG2 4.3Å; F1091-V1299 HydrophobicContact CZ-CG2 4.39Å; L1095-V1299 HydrophobicContact CD2-CB 4.36Å; L1095-V1299 HydrophobicContact CD2-CG1 4.18Å; V1218-V1299 HydrophobicContact CG2-CG1 3.96Å; I1284-V1299 HydrophobicContact CD1-CG2 3.96Å; L1295-V1299 WeakPolarHBondContact O-CG2 3.41Å; L1295-V1299 PolarHBondContact O-N 3.4Å; A1296-V1299 PolarHBondContact O-N 3.44Å; P1297-V1299 PolarHBondContact O-N 3.06Å; V1299-H1301 PolarHBondContact O-N 3.24Å; V1299-T1302 PolarHBondContact O-N 2.97Å; V1299-V1303 HydrophobicContact CG1-CG2 4.27Å; V1299-V1303 WeakPolarHBondContact O-CG2 3.44Å; V1299-V1303 PolarHBondContact O-N 3.22Å |
| 1300 | R | 91.9 | Very high | 88.8 | Confident | 33 Ų | 33 | 17.6 Ų | 17.6 | 13% | 0.125 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 178.2 | -73.9 | -164.7 | -67.3 | -92 | -3.3 | 112.9 | N1094 L1095 W1145 F1154 A1296 P1297 F1298 V1303 L1304 | N1094-R1300 PolarHBondContact O-NH1 3.4Å; L1095-R1300 VanDerWaalsContact C-NH1 3.31Å; L1095-R1300 PolarHBondContact O-NH1 3.35Å; W1145-R1300 HydrophobicContact CD2-CG 4.48Å; W1145-R1300 VanDerWaalsContact CE2-CD 3.44Å; W1145-R1300 VanDerWaalsContact CG-CD 3.48Å; F1154-R1300 HydrophobicContact CZ-CG 3.93Å; A1296-R1300 WeakPolarHBondContact O-CG 3.4Å; A1296-R1300 PolarHBondContact O-N 3.03Å; P1297-R1300 PolarHBondContact O-N 3.18Å; F1298-R1300 PolarHBondContact O-N 3.27Å; R1300-V1303 PolarHBondContact O-N 2.61Å; R1300-L1304 WeakPolarHBondContact O-CG 3.27Å; R1300-L1304 PolarHBondContact O-N 3.1Å |
| 1301 | H | 91.2 | Very high | 87.9 | Confident | 18 Ų | 18 | 22.2 Ų | 22.2 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | -178.8 | -76.5 | -64.5 | 0 | 0 | 0 | 112.5 | F646 T699 A702 P1283 P1297 F1298 V1299 L1304 N1305 | F646-H1301 AromaticContact CE2-CD2 3.44Å; F646-H1301 VanDerWaalsContact CE2-CD2 3.44Å; F646-H1301 WeakPolarHBondContact CE2-CD2 3.46Å; F646-H1301 AromaticContact CE2-NE2 3.8Å; F646-H1301 AromaticContact CZ-CD2 3.69Å; T699-H1301 HydrophobicContact CG2-CB 4.17Å; A702-H1301 WeakPolarHBondContact CB-CE1 3.5Å; P1283-H1301 HydrophobicContact CG-CB 4.15Å; P1297-H1301 PolarHBondContact O-CD2 3.17Å; P1297-H1301 PolarHBondContact O-N 2.82Å; F1298-H1301 PolarHBondContact O-N 3.07Å; V1299-H1301 PolarHBondContact O-N 3.24Å; H1301-L1304 WeakPolarHBondContact O-CB 3.23Å; H1301-L1304 PolarHBondContact O-N 2.98Å; H1301-N1305 WeakPolarHBondContact O-CB 3.47Å; H1301-N1305 PolarHBondContact O-N 3.47Å; H1301-N1305 PolarHBondContact O-ND2 2.9Å |
| 1302 | T | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.1 | -38.2 | 173.2 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | F1216 F1271 G1282 P1283 I1284 F1298 V1299 N1305 A1306 | F1216-T1302 HydrophobicContact CE2-CG2 4.28Å; F1216-T1302 HydrophobicContact CZ-CG2 3.98Å; F1271-T1302 HydrophobicContact CE1-CG2 4.28Å; F1271-T1302 HydrophobicContact CE2-CG2 4.34Å; F1271-T1302 HydrophobicContact CZ-CG2 3.87Å; G1282-T1302 WeakPolarHBondContact O-CA 3.2Å; G1282-T1302 PolarHBondContact O-OG1 3.31Å; P1283-T1302 VanDerWaalsContact CD-OG1 3.26Å; P1283-T1302 WeakPolarHBondContact CD-OG1 3.09Å; I1284-T1302 HydrophobicContact CB-CG2 4.23Å; I1284-T1302 WeakPolarHBondContact CB-OG1 3.42Å; I1284-T1302 WeakPolarHBondContact CG1-OG1 3.4Å; I1284-T1302 PolarHBondContact N-OG1 3.12Å; F1298-T1302 PolarHBondContact O-N 2.98Å; F1298-T1302 PolarHBondContact O-OG1 2.73Å; V1299-T1302 PolarHBondContact O-N 2.97Å; T1302-N1305 PolarHBondContact O-N 3.05Å; T1302-A1306 WeakPolarHBondContact O-CB 3.42Å; T1302-A1306 PolarHBondContact O-N 3.32Å |
| 1303 | V | 91.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | V1059 M1152 F1216 V1299 R1300 A1306 A1307 | V1059-V1303 HydrophobicContact CG2-CB 4.24Å; V1059-V1303 HydrophobicContact CG2-CG1 3.6Å; V1059-V1303 HydrophobicContact CG2-CG2 3.63Å; M1152-V1303 HydrophobicContact CE-CB 3.98Å; M1152-V1303 HydrophobicContact CE-CG1 3.63Å; M1152-V1303 HydrophobicContact SD-CB 4.19Å; M1152-V1303 HydrophobicContact SD-CG1 3.81Å; F1216-V1303 HydrophobicContact CD1-CG2 3.73Å; F1216-V1303 HydrophobicContact CD2-CG2 3.99Å; F1216-V1303 HydrophobicContact CE1-CG2 3.61Å; F1216-V1303 HydrophobicContact CE2-CG2 3.88Å; F1216-V1303 HydrophobicContact CG-CG2 3.93Å; F1216-V1303 HydrophobicContact CZ-CG2 3.69Å; V1299-V1303 HydrophobicContact CG1-CG2 4.27Å; V1299-V1303 WeakPolarHBondContact O-CG2 3.44Å; V1299-V1303 PolarHBondContact O-N 3.22Å; R1300-V1303 PolarHBondContact O-N 2.61Å; V1303-A1306 PolarHBondContact O-N 2.97Å; V1303-A1307 WeakPolarHBondContact O-CB 3.3Å; V1303-A1307 PolarHBondContact O-N 3.3Å |
| 1304 | L | 87.7 | Confident | 85.7 | Confident | 17 Ų | 17 | 19.9 Ų | 19.9 | 9% | 0.089 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.5 | -51.5 | 173.9 | -80.6 | 173.6 | 0 | 0 | 0 | 110.6 | W1145 V1150 M1152 R1300 H1301 A1306 A1307 T1308 | W1145-L1304 HydrophobicContact CH2-CD1 3.91Å; W1145-L1304 HydrophobicContact CZ3-CD1 4.07Å; W1145-L1304 HydrophobicContact CZ3-CD2 4.21Å; W1145-L1304 HydrophobicContact CZ3-CG 4.27Å; V1150-L1304 HydrophobicContact CB-CD2 3.58Å; V1150-L1304 HydrophobicContact CG1-CD2 3.99Å; V1150-L1304 HydrophobicContact CG2-CD2 3.51Å; M1152-L1304 HydrophobicContact CE-CB 4.08Å; M1152-L1304 HydrophobicContact CE-CD2 3.36Å; M1152-L1304 HydrophobicContact CE-CG 3.34Å; R1300-L1304 WeakPolarHBondContact O-CG 3.27Å; R1300-L1304 PolarHBondContact O-N 3.1Å; H1301-L1304 WeakPolarHBondContact O-CB 3.23Å; H1301-L1304 PolarHBondContact O-N 2.98Å; L1304-A1306 VanDerWaalsContact C-N 3.34Å; L1304-A1306 PolarHBondContact O-N 3.43Å; L1304-A1307 PolarHBondContact O-N 2.93Å; L1304-T1308 WeakPolarHBondContact O-CG2 3.49Å; L1304-T1308 PolarHBondContact O-N 2.91Å; L1304-T1308 PolarHBondContact O-OG1 3.3Å |
| 1305 | N | 90.3 | Very high | 84.1 | Confident | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67 | -34.2 | -178.9 | -65.4 | -21.1 | 0 | 0 | 0 | 112.1 | D695 T699 P1281 G1282 H1301 T1302 T1308 R1309 | D695-N1305 HydrophobicContact CB-CB 4.12Å; T699-N1305 PolarHBondContact OG1-ND2 2.73Å; P1281-N1305 HydrophobicContact CB-CB 3.84Å; G1282-N1305 PolarHBondContact O-ND2 2.65Å; H1301-N1305 WeakPolarHBondContact O-CB 3.47Å; H1301-N1305 PolarHBondContact O-N 3.47Å; H1301-N1305 PolarHBondContact O-ND2 2.9Å; T1302-N1305 PolarHBondContact O-N 3.05Å; N1305-T1308 WeakPolarHBondContact CA-OG1 3.41Å; N1305-T1308 PolarHBondContact O-OG1 3.43Å; N1305-R1309 WeakPolarHBondContact O-CG 3.49Å; N1305-R1309 PolarHBondContact O-N 3.04Å |
| 1306 | A | 88.2 | Confident | 81.9 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1216 Y1255 P1281 T1302 V1303 L1304 R1309 R1310 | F1216-A1306 HydrophobicContact CD2-CB 3.95Å; F1216-A1306 HydrophobicContact CE2-CB 3.78Å; Y1255-A1306 HydrophobicContact CD1-CB 4.48Å; Y1255-A1306 HydrophobicContact CE1-CB 4.34Å; Y1255-A1306 HydrophobicContact CE2-CB 4.4Å; P1281-A1306 HydrophobicContact CB-CB 4.36Å; P1281-A1306 HydrophobicContact CG-CB 3.82Å; T1302-A1306 WeakPolarHBondContact O-CB 3.42Å; T1302-A1306 PolarHBondContact O-N 3.32Å; V1303-A1306 PolarHBondContact O-N 2.97Å; L1304-A1306 VanDerWaalsContact C-N 3.34Å; L1304-A1306 PolarHBondContact O-N 3.43Å; A1306-R1309 PolarHBondContact O-N 2.9Å; A1306-R1310 WeakPolarHBondContact O-CB 3.25Å; A1306-R1310 PolarHBondContact O-N 2.91Å |
| 1307 | A | 82.6 | Confident | 78.9 | Confident | 25 Ų | 25 | 31.7 Ų | 31.7 | 21% | 0.207 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V1303 L1304 R1310 R1311 | V1303-A1307 WeakPolarHBondContact O-CB 3.3Å; V1303-A1307 PolarHBondContact O-N 3.3Å; L1304-A1307 PolarHBondContact O-N 2.93Å; A1307-R1310 PolarHBondContact O-N 3.08Å; A1307-R1311 PolarHBondContact O-N 3.28Å |
| 1308 | T | 82.6 | Confident | 76 | Confident | 59 Ų | 59 | 34.6 Ų | 34.6 | 36% | 0.362 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 174.6 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | L1304 N1305 R1311 L1312 | L1304-T1308 WeakPolarHBondContact O-CG2 3.49Å; L1304-T1308 PolarHBondContact O-N 2.91Å; L1304-T1308 PolarHBondContact O-OG1 3.3Å; N1305-T1308 WeakPolarHBondContact CA-OG1 3.41Å; N1305-T1308 PolarHBondContact O-OG1 3.43Å; T1308-R1311 WeakPolarHBondContact O-CB 2.82Å; T1308-R1311 PolarHBondContact O-N 3.25Å; T1308-L1312 WeakPolarHBondContact O-CG 3.3Å; T1308-L1312 PolarHBondContact O-N 3.32Å; T1308-L1312 VanDerWaalsContact O-N 3.08Å |
| 1309 | R | 84.5 | Confident | 73 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 175 | -71.5 | -168.9 | -170.3 | -157.7 | 2.9 | 112.5 | S692 D695 L1278 G1279 C1280 N1305 A1306 R1311 L1312 E1313 | S692-R1309 VanDerWaalsContact CA-NH2 3.3Å; S692-R1309 PolarHBondContact OG-NH2 2.88Å; D695-R1309 IonicContact OD2-CZ 2.94Å; D695-R1309 IonicContact OD2-NE 2.77Å; D695-R1309 PolarHBondContact OD2-NE 3.03Å; D695-R1309 IonicContact OD2-NH2 3.7Å; D695-R1309 PolarHBondContact OD2-NH2 2.9Å; L1278-R1309 HydrophobicContact CD1-CB 4.49Å; L1278-R1309 PolarHBondContact O-NH1 3.33Å; G1279-R1309 PolarHBondContact O-NH1 3.39Å; C1280-R1309 PolarHBondContact O-NH1 3.18Å; C1280-R1309 VanDerWaalsContact O-NH1 3.1Å; C1280-R1309 PolarHBondContact O-NH2 3.22Å; N1305-R1309 WeakPolarHBondContact O-CG 3.49Å; N1305-R1309 PolarHBondContact O-N 3.04Å; A1306-R1309 PolarHBondContact O-N 2.9Å; R1309-R1311 VanDerWaalsContact C-N 3.27Å; R1309-R1311 PolarHBondContact O-N 3.38Å; R1309-L1312 PolarHBondContact O-N 3.23Å; R1309-L1312 VanDerWaalsContact O-N 3.16Å; R1309-E1313 PolarHBondContact O-N 3.47Å; R1309-E1313 VanDerWaalsContact O-N 3.16Å |
| 1310 | R | 77.3 | Confident | 69.7 | Low | 45 Ų | 45 | 45 Ų | 45 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55 | -43.3 | 173.8 | -179.8 | -178.1 | 175.2 | 166.8 | -6.8 | 111.2 | D1213 Y1214 E1243 A1306 A1307 E1313 Q1314 | D1213-R1310 IonicContact OD1-CZ 2.83Å; D1213-R1310 VanDerWaalsContact OD1-CZ 3.23Å; D1213-R1310 IonicContact OD1-NH1 3.35Å; D1213-R1310 PolarHBondContact OD1-NH1 2.94Å; D1213-R1310 IonicContact OD1-NH2 3.49Å; D1213-R1310 PolarHBondContact OD1-NH2 3.12Å; Y1214-R1310 HydrophobicContact CD2-CG 4Å; Y1214-R1310 PolarHBondContact O-NH1 3.34Å; E1243-R1310 IonicContact OE2-NH2 2.63Å; E1243-R1310 PolarHBondContact OE2-NH2 3.49Å; A1306-R1310 WeakPolarHBondContact O-CB 3.25Å; A1306-R1310 PolarHBondContact O-N 2.91Å; A1307-R1310 PolarHBondContact O-N 3.08Å; R1310-E1313 PolarHBondContact O-N 3.37Å; R1310-Q1314 HydrophobicContact CG-CG 4.37Å; R1310-Q1314 WeakPolarHBondContact O-CG 3.41Å; R1310-Q1314 PolarHBondContact O-N 3.05Å |
| 1311 | R | 73.1 | Confident | 66.5 | Low | 96 Ų | 96 | 49.7 Ų | 49.7 | 36% | 0.362 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.9 | -178.8 | 179.3 | 172.9 | -161 | -12.9 | 111.9 | H1055 A1307 T1308 R1309 E1313 Q1314 E1315 | H1055-R1311 PolarHBondContact CE1-NH1 3.24Å; H1055-R1311 PolarHBondContact NE2-NH1 3.49Å; A1307-R1311 PolarHBondContact O-N 3.28Å; T1308-R1311 WeakPolarHBondContact O-CB 2.82Å; T1308-R1311 PolarHBondContact O-N 3.25Å; R1309-R1311 VanDerWaalsContact C-N 3.27Å; R1309-R1311 PolarHBondContact O-N 3.38Å; R1311-E1313 PolarHBondContact O-N 3Å; R1311-Q1314 PolarHBondContact O-N 3.03Å; R1311-E1315 HydrophobicContact CG-CG 4.19Å; R1311-E1315 WeakPolarHBondContact CG-OE1 3.27Å; R1311-E1315 IonicContact CZ-OE1 3.17Å; R1311-E1315 IonicContact NE-OE1 3.1Å; R1311-E1315 PolarHBondContact NE-OE1 2.96Å; R1311-E1315 IonicContact NH2-OE1 2.69Å; R1311-E1315 PolarHBondContact NH2-OE1 2.7Å; R1311-E1315 VanDerWaalsContact NH2-OE1 3.12Å; R1311-E1315 WeakPolarHBondContact O-CG 3.48Å; R1311-E1315 PolarHBondContact O-N 3.02Å |
| 1312 | L | 78.5 | Confident | 63.6 | Low | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -36 | 178.2 | -68 | 174.1 | 0 | 0 | 0 | 112 | L691 S743 V746 A747 R799 L1278 T1308 R1309 | L691-L1312 HydrophobicContact CD1-CD1 4.38Å; L691-L1312 HydrophobicContact CD2-CD1 3.62Å; S743-L1312 WeakPolarHBondContact O-CD2 2.93Å; V746-L1312 HydrophobicContact CB-CD2 3.99Å; V746-L1312 HydrophobicContact CG1-CD2 3.73Å; A747-L1312 HydrophobicContact CB-CD1 3.95Å; R799-L1312 PolarHBondContact NH1-O 2.88Å; R799-L1312 PolarHBondContact NH2-O 3.47Å; L1278-L1312 HydrophobicContact CD1-CB 4.03Å; T1308-L1312 WeakPolarHBondContact O-CG 3.3Å; T1308-L1312 PolarHBondContact O-N 3.32Å; T1308-L1312 VanDerWaalsContact O-N 3.08Å; R1309-L1312 PolarHBondContact O-N 3.23Å; R1309-L1312 VanDerWaalsContact O-N 3.16Å |
| 1313 | E | 72.6 | Confident | 60.3 | Low | 49 Ų | 49 | 57.8 Ų | 57.8 | 23% | 0.229 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.6 | -35.6 | 175.5 | -65.1 | -171.2 | 171.2 | 0 | 0 | 114.3 | R739 Y1214 S1276 L1278 R1309 R1310 R1311 | R739-E1313 PolarHBondContact NH2-O 3.31Å; Y1214-E1313 VanDerWaalsContact CE2-OE2 3.3Å; Y1214-E1313 WeakPolarHBondContact CE2-OE2 3.49Å; Y1214-E1313 PolarHBondContact OH-OE2 3.47Å; S1276-E1313 WeakPolarHBondContact CB-OE1 3.46Å; S1276-E1313 PolarHBondContact OG-OE1 3.48Å; L1278-E1313 HydrophobicContact CD1-CG 3.39Å; L1278-E1313 HydrophobicContact CG-CG 4.03Å; R1309-E1313 PolarHBondContact O-N 3.47Å; R1309-E1313 VanDerWaalsContact O-N 3.16Å; R1310-E1313 PolarHBondContact O-N 3.37Å; R1311-E1313 PolarHBondContact O-N 3Å |
| 1314 | Q | 64.6 | Low | 57.1 | Low | 38 Ų | 38 | 64 Ų | 64 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -84.3 | -27.6 | -172.1 | -73 | -171.2 | -1.7 | 0 | 0 | 114.8 | Y1211 Q1212 R1310 R1311 G1316 | Y1211-Q1314 HydrophobicContact CE1-CG 4.43Å; Q1212-Q1314 PolarHBondContact O-NE2 3.27Å; R1310-Q1314 HydrophobicContact CG-CG 4.37Å; R1310-Q1314 WeakPolarHBondContact O-CG 3.41Å; R1310-Q1314 PolarHBondContact O-N 3.05Å; R1311-Q1314 PolarHBondContact O-N 3.03Å; Q1314-G1316 PolarHBondContact O-N 2.95Å |
| 1315 | E | 54.9 | Low | 54.4 | Low | 45 Ų | 45 | 67.3 Ų | 67.3 | 21% | 0.21 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -6.9 | -172 | -77.2 | 178.7 | 163.7 | 0 | 0 | 115.4 | R799 R1311 W1317 | R799-E1315 IonicContact CZ-OE2 2.65Å; R799-E1315 IonicContact NE-OE2 3.96Å; R799-E1315 PolarHBondContact NE-OE2 3.37Å; R799-E1315 IonicContact NH2-OE2 3.65Å; R799-E1315 PolarHBondContact NH2-OE2 2.98Å; R1311-E1315 HydrophobicContact CG-CG 4.19Å; R1311-E1315 WeakPolarHBondContact CG-OE1 3.27Å; R1311-E1315 IonicContact CZ-OE1 3.17Å; R1311-E1315 IonicContact NE-OE1 3.1Å; R1311-E1315 PolarHBondContact NE-OE1 2.96Å; R1311-E1315 IonicContact NH2-OE1 2.69Å; R1311-E1315 PolarHBondContact NH2-OE1 2.7Å; R1311-E1315 VanDerWaalsContact NH2-OE1 3.12Å; R1311-E1315 WeakPolarHBondContact O-CG 3.48Å; R1311-E1315 PolarHBondContact O-N 3.02Å; E1315-W1317 VanDerWaalsContact C-N 3.25Å; E1315-W1317 PolarHBondContact O-N 2.9Å; E1315-W1317 VanDerWaalsContact O-N 3.1Å |
| 1316 | G | 44.4 | Very low | 51.4 | Low | 35 Ų | 35 | 71.5 Ų | 71.5 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q1314 | Q1314-G1316 PolarHBondContact O-N 2.95Š|
| 1317 | W | 29.9 | Very low | 48.3 | Very low | 169 Ų | 169 | 78.7 Ų | 78.7 | 64% | 0.64 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -16.4 | -176 | -113.7 | 68.7 | 0 | 0 | 0 | 115.4 | E1315 I1319 | E1315-W1317 VanDerWaalsContact C-N 3.25Å; E1315-W1317 PolarHBondContact O-N 2.9Å; E1315-W1317 VanDerWaalsContact O-N 3.1Å; W1317-I1319 PolarHBondContact O-N 3.02Å |
| 1318 | K | 29.5 | Very low | 45.5 | Very low | 72 Ų | 72 | 87.1 Ų | 87.1 | 31% | 0.313 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.6 | -28.4 | -171.2 | -87 | 172.4 | 161.7 | 159.8 | 0 | 113.8 | Y1211 | Y1211-K1318 VanDerWaalsContact OH-CD 3.27Å; Y1211-K1318 WeakPolarHBondContact OH-CD 3.31Å; Y1211-K1318 WeakPolarHBondContact OH-CE 3.38Å; Y1211-K1318 PolarHBondContact OH-NZ 3.09Å |
| 1319 | I | 30.9 | Very low | 42.7 | Very low | 60 Ų | 60 | 90.5 Ų | 90.5 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -91.7 | -30.9 | -172.7 | -56.7 | 171.8 | 0 | 0 | 0 | 112.7 | Q798 D802 W1317 K1321 S1322 | Q798-I1319 HydrophobicContact CG-CD1 4.45Å; Q798-I1319 HydrophobicContact CG-CG2 4.07Å; D802-I1319 WeakPolarHBondContact OD2-CD1 3.49Å; W1317-I1319 PolarHBondContact O-N 3.02Å; I1319-K1321 PolarHBondContact O-N 2.83Å; I1319-S1322 PolarHBondContact O-N 3.45Å |
| 1320 | F | 24.9 | Very low | 39.9 | Very low | 159 Ų | 159 | 99.8 Ų | 99.8 | 70% | 0.697 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.9 | -28.5 | -178.7 | -157.4 | -93.3 | 0 | 0 | 0 | 112.6 | M1324 | F1320-M1324 HydrophobicContact CD1-SD 4.49Å; F1320-M1324 HydrophobicContact CE1-CE 4.21Å; F1320-M1324 HydrophobicContact CE1-SD 3.81Å; F1320-M1324 HydrophobicContact CZ-SD 4.38Å |
| 1321 | K | 23.7 | Very low | 37.5 | Very low | 131 Ų | 131 | 102.1 Ų | 102.1 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -83.1 | -29.6 | -179.2 | -122.5 | -174.3 | -179.8 | -169.4 | 0 | 114.7 | I1319 | I1319-K1321 PolarHBondContact O-N 2.83Å |
| 1322 | S | 29.7 | Very low | 35.3 | Very low | 86 Ų | 86 | 102.7 Ų | 102.7 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.5 | -37.3 | 178.2 | 154.3 | 0 | 0 | 0 | 0 | 111.4 | I1319 | I1319-S1322 PolarHBondContact O-N 3.45Å |
| 1323 | K | 25.9 | Very low | 32.8 | Very low | 103 Ų | 103 | 109.7 Ų | 109.7 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -84.9 | -22 | -179.1 | -87 | -177 | 176.5 | 176.9 | 0 | 115.2 | Q798 S1325 C1326 | Q798-K1323 VanDerWaalsContact OE1-NZ 3.15Å; K1323-S1325 PolarHBondContact O-N 3.48Å; K1323-S1325 VanDerWaalsContact O-N 3.12Å; K1323-C1326 PolarHBondContact O-N 2.89Å |
| 1324 | M | 24.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 114.9 Ų | 114.9 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -63.3 | -18.8 | 176.8 | -152 | 96.3 | 141.9 | 0 | 0 | 112.4 | F1320 C1326 | F1320-M1324 HydrophobicContact CD1-SD 4.49Å; F1320-M1324 HydrophobicContact CE1-CE 4.21Å; F1320-M1324 HydrophobicContact CE1-SD 3.81Å; F1320-M1324 HydrophobicContact CZ-SD 4.38Å; M1324-C1326 VanDerWaalsContact C-N 3.34Å |
| 1325 | S | 30.2 | Very low | 28.5 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 59% | 0.594 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -80.7 | -11.4 | 173.8 | -148.9 | 0 | 0 | 0 | 0 | 113.8 | K1323 | K1323-S1325 PolarHBondContact O-N 3.48Å; K1323-S1325 VanDerWaalsContact O-N 3.12Å |
| 1326 | C | 26.9 | Very low | 27.1 | Very low | 95 Ų | 95 | 127 Ų | 127 | 64% | 0.642 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -112.5 | 14 | -175.9 | -53 | 0 | 0 | 0 | 0 | 113.3 | K1323 M1324 | K1323-C1326 PolarHBondContact O-N 2.89Å; M1324-C1326 VanDerWaalsContact C-N 3.34Å |
| 1327 | Y | 24.1 | Very low | 26.2 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 62% | 0.616 | 65% | 0.651 | S | S | * | * | trans | -91.2 | 4.3 | -176.9 | -105.3 | -76.4 | 0 | 0 | 0 | 115.3 | ||||
| 1328 | F | 23.1 | Very low | 26 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -80.8 | 138 | 160.7 | -91.3 | -91.4 | 0 | 0 | 0 | 108.9 | ||
| 1329 | N | 24.7 | Very low | 25.9 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | 85 | 41.1 | -177.7 | -72 | -21.1 | 0 | 0 | 0 | 120.2 | ||||
| 1330 | W | 24.6 | Very low | 25.8 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | trans | -88.4 | 2.5 | 156.3 | -95.5 | 77.7 | 0 | 0 | 0 | 114.6 | ||||
| 1331 | S | 26.9 | Very low | 25.8 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -85.5 | -1.8 | -174 | 47.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1332 | T | 27.2 | Very low | 25.9 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -105.2 | -7.1 | -171.9 | -36.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1333 | I | 25.9 | Very low | 25.8 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -98 | -1.7 | -178.3 | -61 | 177.5 | 0 | 0 | 0 | 113.1 | C1335 | I1333-C1335 VanDerWaalsContact C-N 3.28Å; I1333-C1335 PolarHBondContact O-N 3.26Å |
| 1334 | L | 25.2 | Very low | 25.9 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -85.7 | 11.1 | 178.7 | -106.9 | 151 | 0 | 0 | 0 | 115 | ||
| 1335 | C | 22.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -117.7 | 40.6 | -176.4 | -72.5 | 0 | 0 | 0 | 0 | 114.8 | I1333 | I1333-C1335 VanDerWaalsContact C-N 3.28Å; I1333-C1335 PolarHBondContact O-N 3.26Å |
| 1336 | Y | 24.6 | Very low | 25.8 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -148.5 | 115.7 | 159.7 | -78.6 | -72.9 | 0 | 0 | 0 | 112.9 | ||
| 1337 | G | 26.3 | Very low | 25.8 | Very low | 68 Ų | 68 | 151.6 Ų | 151.6 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 100.6 | 66.8 | 139.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | F1339 | G1337-F1339 PolarHBondContact O-N 3.4Š| ||
| 1338 | T | 24.4 | Very low | 26.1 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -58.2 | 122.8 | 149.1 | 47 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1339 | F | 26.9 | Very low | 26.3 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -137.3 | 141.3 | 156.2 | -93.1 | -82.7 | 0 | 0 | 0 | 110 | G1337 | G1337-F1339 PolarHBondContact O-N 3.4Š| ||
| 1340 | P | 30.2 | Very low | 26.6 | Very low | 119 Ų | 119 | 153 Ų | 153 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -85.6 | 153.4 | -154.9 | 34.8 | -34.2 | 0 | 0 | 0 | 113.7 | ||||
| 1341 | L | 25.4 | Very low | 27 | Very low | 171 Ų | 171 | 149 Ų | 149 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -58.4 | 160.6 | 171 | -73.3 | 154.7 | 0 | 0 | 0 | 113.8 | ||||
| 1342 | A | 24.7 | Very low | 27.2 | Very low | 89 Ų | 89 | 150.8 Ų | 150.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 88.2 | 97.5 | 156 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1343 | E | 27 | Very low | 27.5 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | S | Bend | 171.9 | 100 | 114.3 | -93.4 | 178.1 | -178.4 | 0 | 0 | 109.8 | |||
| 1344 | L | 28.2 | Very low | 27.8 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | 176.3 | 53.8 | 139.6 | -91.7 | 159.3 | 0 | 0 | 0 | 108.7 | ||||
| 1345 | F | 24.1 | Very low | 28.1 | Very low | 208 Ų | 208 | 146.8 Ų | 146.8 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -76.9 | 114.2 | 150.8 | -102.6 | -93.1 | 0 | 0 | 0 | 106.5 | ||||
| 1346 | T | 27.9 | Very low | 28.5 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -174.3 | 125.5 | 140.2 | 37 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1347 | L | 28.4 | Very low | 28.9 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | 86.8 | 81 | 156.7 | -57.4 | 164.1 | 0 | 0 | 0 | 118.6 | ||||
| 1348 | S | 29.5 | Very low | 29.1 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -158 | 57.3 | 130.3 | 52.6 | 0 | 0 | 0 | 0 | 111 | W1350 | S1348-W1350 PolarHBondContact O-N 2.84Š| ||
| 1349 | I | 26.9 | Very low | 29.4 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -77.7 | 105.4 | 161.1 | -59.8 | 170.8 | 0 | 0 | 0 | 105.4 | ||||
| 1350 | W | 32.1 | Very low | 29.6 | Very low | 238 Ų | 238 | 142.6 Ų | 142.6 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -166.1 | 10.2 | 151 | -117.3 | 47.1 | 0 | 0 | 0 | 119.7 | S1348 | S1348-W1350 PolarHBondContact O-N 2.84Š| ||
| 1351 | P | 32 | Very low | 29.8 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -132.6 | 63 | 160.5 | 36.5 | -20.4 | 0 | 0 | 0 | 112.7 | ||
| 1352 | L | 31 | Very low | 30.1 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -129 | 3.4 | 155.1 | -117.4 | 113.2 | 0 | 0 | 0 | 113.6 | ||
| 1353 | A | 33.6 | Very low | 30.2 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -11.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1354 | L | 33.2 | Very low | 30.6 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -21.8 | 177.4 | -150.1 | 76.2 | 0 | 0 | 0 | 113.6 | ||
| 1355 | V | 30.2 | Very low | 30.8 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -25.2 | 179.9 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1356 | L | 30.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 57% | 0.571 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 0.2 | -179.8 | -79.3 | 168.4 | 0 | 0 | 0 | 115.6 | ||
| 1357 | H | 33.8 | Very low | 31.4 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -20 | 170.9 | -138.6 | 68.2 | 0 | 0 | 0 | 113.6 | ||
| 1358 | V | 31.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 131 Ų | 131 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -28.2 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | K1360 E1361 V1362 | V1358-K1360 PolarHBondContact O-N 2.98Å; V1358-E1361 PolarHBondContact O-N 3.42Å; V1358-V1362 HydrophobicContact CG1-CG2 4.14Å; V1358-V1362 WeakPolarHBondContact O-CG2 3.5Å; V1358-V1362 PolarHBondContact O-N 3.19Å |
| 1359 | E | 28.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 59% | 0.593 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -74.2 | -22.6 | 178.5 | -74.5 | -169.4 | 150 | 0 | 0 | 114.2 | F1363 | E1359-F1363 PolarHBondContact O-N 2.92Å |
| 1360 | K | 32.8 | Very low | 35.8 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 77% | 0.765 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.1 | -26.2 | 174.5 | -85.2 | -171.1 | 175.9 | 179.8 | 0 | 113.7 | V1358 A1364 | V1358-K1360 PolarHBondContact O-N 2.98Å; K1360-A1364 WeakPolarHBondContact O-CB 3.46Å |
| 1361 | E | 33.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 55% | 0.547 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -88.6 | -31 | 175.3 | -79.9 | -164.2 | 157.4 | 0 | 0 | 113.3 | V1358 A1364 R1365 | V1358-E1361 PolarHBondContact O-N 3.42Å; E1361-A1364 PolarHBondContact O-N 2.91Å; E1361-R1365 PolarHBondContact O-N 3.34Å; E1361-R1365 IonicContact OE2-NH1 3.17Å |
| 1362 | V | 30.4 | Very low | 40.2 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72 | -36.6 | 179.1 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | V1358 A1364 R1365 L1366 | V1358-V1362 HydrophobicContact CG1-CG2 4.14Å; V1358-V1362 WeakPolarHBondContact O-CG2 3.5Å; V1358-V1362 PolarHBondContact O-N 3.19Å; V1362-A1364 VanDerWaalsContact C-N 3.31Å; V1362-A1364 PolarHBondContact O-N 3.41Å; V1362-R1365 PolarHBondContact O-N 2.9Å; V1362-L1366 HydrophobicContact CG1-CD1 4.45Å; V1362-L1366 PolarHBondContact O-N 3.48Å |
| 1363 | F | 28.7 | Very low | 42.6 | Very low | 183 Ų | 183 | 125.6 Ų | 125.6 | 80% | 0.803 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.2 | -24.6 | 171.8 | -116 | -84.8 | 0 | 0 | 0 | 113.2 | E1359 | E1359-F1363 PolarHBondContact O-N 2.92Å |
| 1364 | A | 35.3 | Very low | 45.1 | Very low | 71 Ų | 71 | 122 Ų | 122 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.7 | -27.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1360 E1361 V1362 | K1360-A1364 WeakPolarHBondContact O-CB 3.46Å; E1361-A1364 PolarHBondContact O-N 2.91Å; V1362-A1364 VanDerWaalsContact C-N 3.31Å; V1362-A1364 PolarHBondContact O-N 3.41Å |
| 1365 | R | 32.8 | Very low | 47.8 | Very low | 202 Ų | 202 | 115.1 Ų | 115.1 | 76% | 0.762 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -82.5 | -20.3 | -179.9 | -89.3 | -178.5 | 170.1 | 131.2 | -1.6 | 114.9 | E1361 V1362 | E1361-R1365 PolarHBondContact O-N 3.34Å; E1361-R1365 IonicContact OE2-NH1 3.17Å; V1362-R1365 PolarHBondContact O-N 2.9Å |
| 1366 | L | 28.6 | Very low | 50.5 | Low | 138 Ų | 138 | 114 Ų | 114 | 72% | 0.723 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -88.5 | -7.7 | 179.9 | -83.9 | 158.1 | 0 | 0 | 0 | 114.4 | V1362 H1368 | V1362-L1366 HydrophobicContact CG1-CD1 4.45Å; V1362-L1366 PolarHBondContact O-N 3.48Å; L1366-H1368 PolarHBondContact O-N 3.18Å |
| 1367 | A | 34.1 | Very low | 53.4 | Low | 58 Ų | 58 | 113 Ų | 113 | 48% | 0.479 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -81.6 | 97.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | N1369 | A1367-N1369 PolarHBondContact O-N 2.83Š|
| 1368 | H | 44.5 | Very low | 56.2 | Low | 141 Ų | 141 | 105.8 Ų | 105.8 | 65% | 0.653 | 51% | 0.514 | S | S | * | . | trans | -45.6 | 117.2 | 166 | -92.3 | -85.8 | 0 | 0 | 0 | 109.2 | L1366 I1370 | L1366-H1368 PolarHBondContact O-N 3.18Å; H1368-I1370 PolarHBondContact O-N 2.85Å | ||
| 1369 | N | 56.1 | Low | 58.9 | Low | 149 Ų | 149 | 101.5 Ų | 101.5 | 80% | 0.797 | 49% | 0.488 | S | S | * | . | trans | -75.1 | 93.4 | -159 | -150.3 | 0.3 | 0 | 0 | 0 | 110.2 | A1367 R1371 | A1367-N1369 PolarHBondContact O-N 2.83Å; N1369-R1371 PolarHBondContact O-N 3.08Å | ||
| 1370 | I | 76.7 | Confident | 61.7 | Low | 10 Ų | 10 | 98.2 Ų | 98.2 | 5% | 0.051 | 48% | 0.479 | C | S | . | . | trans | -58.3 | 115.7 | 163.8 | -54.5 | 175.4 | 0 | 0 | 0 | 105.9 | H1368 R1372 V1374 L1375 Y1408 F1424 A1427 | H1368-I1370 PolarHBondContact O-N 2.85Å; I1370-R1372 PolarHBondContact O-N 3.12Å; I1370-V1374 HydrophobicContact CG2-CB 4.18Å; I1370-V1374 HydrophobicContact CG2-CG1 4.05Å; I1370-L1375 HydrophobicContact CB-CD1 4.35Å; I1370-L1375 HydrophobicContact CB-CD2 4.1Å; I1370-L1375 HydrophobicContact CB-CG 4.06Å; I1370-L1375 HydrophobicContact CD1-CD2 4.25Å; I1370-L1375 HydrophobicContact CG2-CD2 3.79Å; I1370-L1375 HydrophobicContact CG2-CG 3.75Å; I1370-Y1408 HydrophobicContact CD1-CE1 4.29Å; I1370-Y1408 HydrophobicContact CG1-CE1 4.47Å; I1370-Y1408 HydrophobicContact CG2-CD2 4.48Å; I1370-Y1408 HydrophobicContact CG2-CE2 3.92Å; I1370-F1424 HydrophobicContact CD1-CD2 3.48Å; I1370-F1424 VanDerWaalsContact CD1-CD2 3.48Å; I1370-F1424 HydrophobicContact CD1-CE2 4.04Å; I1370-F1424 HydrophobicContact CD1-CG 4.38Å; I1370-A1427 HydrophobicContact CD1-CB 4.28Å | ||
| 1371 | R | 77.8 | Confident | 64.5 | Low | 177 Ų | 177 | 96.8 Ų | 96.8 | 67% | 0.668 | 47% | 0.469 | S | S | * | . | trans | -46.8 | 131.1 | -178.5 | -81.4 | -171.4 | -76.4 | 176.2 | -3.3 | 110.4 | N1369 E1373 V1374 L1375 | N1369-R1371 PolarHBondContact O-N 3.08Å; R1371-E1373 WeakPolarHBondContact CB-OE2 3.46Å; R1371-E1373 PolarHBondContact O-N 3.3Å; R1371-E1373 VanDerWaalsContact O-N 3.11Å; R1371-V1374 HydrophobicContact CB-CB 4.36Å; R1371-V1374 HydrophobicContact CB-CG2 3.91Å; R1371-V1374 WeakPolarHBondContact O-CA 3.32Å; R1371-V1374 WeakPolarHBondContact O-CB 3.5Å; R1371-V1374 PolarHBondContact O-N 3.38Å; R1371-L1375 PolarHBondContact O-N 3.16Å | ||
| 1372 | R | 80 | Confident | 67.3 | Low | 179 Ų | 179 | 92.7 Ų | 92.7 | 68% | 0.675 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -56.1 | -31.4 | -178.1 | -91.9 | -174.3 | -179.9 | 169.5 | 2.2 | 112.1 | I1370 L1375 T1376 | I1370-R1372 PolarHBondContact O-N 3.12Å; R1372-L1375 PolarHBondContact O-N 3.43Å; R1372-T1376 WeakPolarHBondContact O-CB 3.39Å; R1372-T1376 PolarHBondContact O-N 3.19Å; R1372-T1376 PolarHBondContact O-OG1 2.97Å |
| 1373 | E | 80.9 | Confident | 70.1 | Confident | 134 Ų | 134 | 88.9 Ų | 88.9 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 175.9 | -56.4 | 73.4 | -154.6 | 0 | 0 | 110.6 | R1371 T1376 E1377 | R1371-E1373 WeakPolarHBondContact CB-OE2 3.46Å; R1371-E1373 PolarHBondContact O-N 3.3Å; R1371-E1373 VanDerWaalsContact O-N 3.11Å; E1373-T1376 WeakPolarHBondContact O-CB 3.34Å; E1373-T1376 PolarHBondContact O-N 3.46Å; E1373-E1377 PolarHBondContact O-N 3.05Å |
| 1374 | V | 85.7 | Confident | 72.9 | Confident | 11 Ų | 11 | 84.2 Ų | 84.2 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | I1370 R1371 T1376 E1377 L1378 Y1408 F1412 | I1370-V1374 HydrophobicContact CG2-CB 4.18Å; I1370-V1374 HydrophobicContact CG2-CG1 4.05Å; R1371-V1374 HydrophobicContact CB-CB 4.36Å; R1371-V1374 HydrophobicContact CB-CG2 3.91Å; R1371-V1374 WeakPolarHBondContact O-CA 3.32Å; R1371-V1374 WeakPolarHBondContact O-CB 3.5Å; R1371-V1374 PolarHBondContact O-N 3.38Å; V1374-T1376 VanDerWaalsContact C-N 3.25Å; V1374-T1376 PolarHBondContact O-N 3.32Å; V1374-E1377 PolarHBondContact O-N 3.25Å; V1374-L1378 HydrophobicContact CG1-CD1 3.78Å; V1374-L1378 HydrophobicContact CG1-CG 4.29Å; V1374-L1378 WeakPolarHBondContact O-CB 3.4Å; V1374-L1378 WeakPolarHBondContact O-CD1 3.42Å; V1374-L1378 WeakPolarHBondContact O-CG 3.25Å; V1374-L1378 PolarHBondContact O-N 3.47Å; V1374-Y1408 HydrophobicContact CG1-CD2 3.85Å; V1374-Y1408 HydrophobicContact CG1-CE2 4.02Å; V1374-F1412 HydrophobicContact CB-CD1 4.44Å; V1374-F1412 HydrophobicContact CB-CE1 4.32Å; V1374-F1412 HydrophobicContact CG1-CD1 3.78Å; V1374-F1412 HydrophobicContact CG1-CD2 4.05Å; V1374-F1412 HydrophobicContact CG1-CE1 3.83Å; V1374-F1412 HydrophobicContact CG1-CE2 4.03Å; V1374-F1412 HydrophobicContact CG1-CG 3.88Å; V1374-F1412 HydrophobicContact CG1-CZ 3.94Å; V1374-F1412 HydrophobicContact CG2-CD1 3.79Å; V1374-F1412 HydrophobicContact CG2-CE1 3.77Å |
| 1375 | L | 89.6 | Confident | 75.1 | Confident | 12 Ų | 12 | 87.7 Ų | 87.7 | 6% | 0.063 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 174.2 | -69.9 | 172.2 | 0 | 0 | 0 | 112.1 | I1370 R1371 R1372 C1379 A1427 I1428 H1431 | I1370-L1375 HydrophobicContact CB-CD1 4.35Å; I1370-L1375 HydrophobicContact CB-CD2 4.1Å; I1370-L1375 HydrophobicContact CB-CG 4.06Å; I1370-L1375 HydrophobicContact CD1-CD2 4.25Å; I1370-L1375 HydrophobicContact CG2-CD2 3.79Å; I1370-L1375 HydrophobicContact CG2-CG 3.75Å; R1371-L1375 PolarHBondContact O-N 3.16Å; R1372-L1375 PolarHBondContact O-N 3.43Å; L1375-C1379 VanDerWaalsContact O-CB 3.31Å; L1375-C1379 WeakPolarHBondContact O-CB 3.25Å; L1375-C1379 PolarHBondContact O-N 3.47Å; L1375-C1379 PolarHBondContact O-SG 3.46Å; L1375-A1427 HydrophobicContact CD1-CB 4.31Å; L1375-A1427 HydrophobicContact CD2-CB 4.08Å; L1375-I1428 HydrophobicContact CD2-CD1 3.73Å; L1375-I1428 HydrophobicContact CD2-CG1 4.19Å; L1375-H1431 HydrophobicContact CB-CB 4.36Å; L1375-H1431 VanDerWaalsContact CB-CD2 3.49Å; L1375-H1431 WeakPolarHBondContact CB-CD2 3.36Å; L1375-H1431 HydrophobicContact CD1-CB 4.24Å |
| 1376 | T | 88.7 | Confident | 77.7 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | R1372 E1373 V1374 C1379 S1380 H1431 | R1372-T1376 WeakPolarHBondContact O-CB 3.39Å; R1372-T1376 PolarHBondContact O-N 3.19Å; R1372-T1376 PolarHBondContact O-OG1 2.97Å; E1373-T1376 WeakPolarHBondContact O-CB 3.34Å; E1373-T1376 PolarHBondContact O-N 3.46Å; V1374-T1376 VanDerWaalsContact C-N 3.25Å; V1374-T1376 PolarHBondContact O-N 3.32Å; T1376-C1379 PolarHBondContact O-N 3Å; T1376-S1380 WeakPolarHBondContact O-CB 3.46Å; T1376-S1380 PolarHBondContact O-N 3.34Å; T1376-S1380 PolarHBondContact O-OG 2.98Å; T1376-H1431 PolarHBondContact N-NE2 3.08Å; T1376-H1431 PolarHBondContact OG1-CE1 2.65Å; T1376-H1431 PolarHBondContact OG1-NE2 2.93Å |
| 1377 | E | 90.5 | Very high | 80.2 | Confident | 86 Ų | 86 | 75.5 Ų | 75.5 | 40% | 0.402 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.3 | -172.9 | 175.3 | 171.5 | 0 | 0 | 112.1 | E1373 V1374 S1380 R1381 | E1373-E1377 PolarHBondContact O-N 3.05Å; V1374-E1377 PolarHBondContact O-N 3.25Å; E1377-S1380 PolarHBondContact O-N 2.98Å; E1377-S1380 PolarHBondContact O-OG 3.32Å; E1377-R1381 WeakPolarHBondContact O-CB 3.22Å; E1377-R1381 PolarHBondContact O-N 2.88Å |
| 1378 | L | 92 | Very high | 82.3 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.1 | -68.2 | 166.2 | 0 | 0 | 0 | 111.3 | V1374 R1381 F1382 A1404 F1407 Y1408 F1412 F1424 I1428 | V1374-L1378 HydrophobicContact CG1-CD1 3.78Å; V1374-L1378 HydrophobicContact CG1-CG 4.29Å; V1374-L1378 WeakPolarHBondContact O-CB 3.4Å; V1374-L1378 WeakPolarHBondContact O-CD1 3.42Å; V1374-L1378 WeakPolarHBondContact O-CG 3.25Å; V1374-L1378 PolarHBondContact O-N 3.47Å; L1378-R1381 PolarHBondContact O-N 3.25Å; L1378-F1382 HydrophobicContact CD2-CD2 4.35Å; L1378-F1382 HydrophobicContact CD2-CE2 4.15Å; L1378-F1382 WeakPolarHBondContact O-CB 3.45Å; L1378-F1382 WeakPolarHBondContact O-CD2 3.34Å; L1378-F1382 PolarHBondContact O-N 3.11Å; L1378-A1404 HydrophobicContact CD2-CB 4.31Å; L1378-A1404 WeakPolarHBondContact CD2-O 3.34Å; L1378-F1407 HydrophobicContact CD2-CD1 3.87Å; L1378-Y1408 HydrophobicContact CD1-CD2 4.18Å; L1378-Y1408 HydrophobicContact CD1-CG 4.41Å; L1378-F1412 HydrophobicContact CD2-CE2 4.35Å; L1378-F1424 HydrophobicContact CD1-CE2 3.78Å; L1378-F1424 HydrophobicContact CD1-CZ 3.75Å; L1378-I1428 HydrophobicContact CB-CD1 4.27Å |
| 1379 | C | 90 | Very high | 83.7 | Confident | 6 Ų | 6 | 79.3 Ų | 79.3 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175 | -75.6 | 0 | 0 | 0 | 0 | 111.8 | L1375 T1376 R1381 L1383 M1384 | L1375-C1379 VanDerWaalsContact O-CB 3.31Å; L1375-C1379 WeakPolarHBondContact O-CB 3.25Å; L1375-C1379 PolarHBondContact O-N 3.47Å; L1375-C1379 PolarHBondContact O-SG 3.46Å; T1376-C1379 PolarHBondContact O-N 3Å; C1379-R1381 VanDerWaalsContact C-N 3.34Å; C1379-R1381 PolarHBondContact O-N 2.91Å; C1379-L1383 CarbonylContact O-C 3.5Å; C1379-L1383 WeakPolarHBondContact O-CA 3.39Å; C1379-L1383 WeakPolarHBondContact O-CB 3.5Å; C1379-L1383 PolarHBondContact O-N 2.94Å; C1379-M1384 WeakPolarHBondContact O-CG 3.39Å; C1379-M1384 PolarHBondContact O-N 3.22Å |
| 1380 | S | 88 | Confident | 84.6 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67 | -36.2 | -178.9 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | T1376 E1377 | T1376-S1380 WeakPolarHBondContact O-CB 3.46Å; T1376-S1380 PolarHBondContact O-N 3.34Å; T1376-S1380 PolarHBondContact O-OG 2.98Å; E1377-S1380 PolarHBondContact O-N 2.98Å; E1377-S1380 PolarHBondContact O-OG 3.32Å |
| 1381 | R | 90.3 | Very high | 84.8 | Confident | 147 Ų | 147 | 76 Ų | 76 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -76.2 | -39.9 | -178.7 | -168.5 | 169.9 | -173.2 | 138.3 | 1 | 113.3 | E1377 L1378 C1379 F1407 | E1377-R1381 WeakPolarHBondContact O-CB 3.22Å; E1377-R1381 PolarHBondContact O-N 2.88Å; L1378-R1381 PolarHBondContact O-N 3.25Å; C1379-R1381 VanDerWaalsContact C-N 3.34Å; C1379-R1381 PolarHBondContact O-N 2.91Å; R1381-F1407 VanDerWaalsContact CZ-CE2 3.47Å; R1381-F1407 VanDerWaalsContact NH1-CZ 3.27Å |
| 1382 | F | 92.1 | Very high | 84.8 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -113.3 | -24 | -170.7 | -64.3 | -81.6 | 0 | 0 | 0 | 114.9 | L1378 I1386 Q1403 A1404 F1407 | L1378-F1382 HydrophobicContact CD2-CD2 4.35Å; L1378-F1382 HydrophobicContact CD2-CE2 4.15Å; L1378-F1382 WeakPolarHBondContact O-CB 3.45Å; L1378-F1382 WeakPolarHBondContact O-CD2 3.34Å; L1378-F1382 PolarHBondContact O-N 3.11Å; F1382-I1386 WeakPolarHBondContact O-CD1 3.42Å; F1382-I1386 WeakPolarHBondContact O-CG1 3.37Å; F1382-Q1403 HydrophobicContact CD1-CB 4.1Å; F1382-Q1403 HydrophobicContact CE1-CB 4.09Å; F1382-A1404 HydrophobicContact CB-CB 3.98Å; F1382-A1404 HydrophobicContact CD2-CB 3.59Å; F1382-A1404 HydrophobicContact CE2-CB 4.23Å; F1382-A1404 HydrophobicContact CG-CB 3.78Å; F1382-F1407 HydrophobicContact CE2-CB 3.67Å; F1382-F1407 AromaticContact CE2-CD1 3.95Å; F1382-F1407 HydrophobicContact CE2-CD1 3.95Å; F1382-F1407 HydrophobicContact CE2-CD2 4.22Å; F1382-F1407 AromaticContact CE2-CG 3.67Å; F1382-F1407 HydrophobicContact CE2-CG 3.67Å; F1382-F1407 HydrophobicContact CZ-CB 3.5Å; F1382-F1407 VanDerWaalsContact CZ-CB 3.5Å; F1382-F1407 HydrophobicContact CZ-CD1 4.3Å; F1382-F1407 AromaticContact CZ-CD2 3.75Å; F1382-F1407 HydrophobicContact CZ-CD2 3.75Å; F1382-F1407 AromaticContact CZ-CG 3.58Å; F1382-F1407 HydrophobicContact CZ-CG 3.58Å |
| 1383 | L | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -40.2 | -166.8 | -56.5 | 177.2 | 0 | 0 | 0 | 114.8 | C1379 N1385 I1386 V1397 Q1400 I1401 I1428 C1432 F1434 L1435 | C1379-L1383 CarbonylContact O-C 3.5Å; C1379-L1383 WeakPolarHBondContact O-CA 3.39Å; C1379-L1383 WeakPolarHBondContact O-CB 3.5Å; C1379-L1383 PolarHBondContact O-N 2.94Å; L1383-N1385 VanDerWaalsContact C-N 3.34Å; L1383-N1385 PolarHBondContact O-N 3.35Å; L1383-I1386 HydrophobicContact CB-CD1 4.46Å; L1383-I1386 HydrophobicContact CD2-CD1 3.99Å; L1383-I1386 WeakPolarHBondContact O-CG1 3.48Å; L1383-V1397 HydrophobicContact CD2-CG1 3.77Å; L1383-Q1400 HydrophobicContact CD2-CB 3.8Å; L1383-I1401 HydrophobicContact CD1-CG1 4.23Å; L1383-I1401 HydrophobicContact CD2-CG1 3.8Å; L1383-I1428 HydrophobicContact CD1-CG2 3.36Å; L1383-C1432 HydrophobicContact CD1-CB 4.45Å; L1383-F1434 HydrophobicContact CB-CE1 4.45Å; L1383-L1435 HydrophobicContact CD1-CD1 4.31Å |
| 1384 | M | 85.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 42% | 0.419 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.2 | -171.6 | -66.8 | -58.9 | -66.2 | 0 | 0 | 112.9 | C1379 K1391 | C1379-M1384 WeakPolarHBondContact O-CG 3.39Å; C1379-M1384 PolarHBondContact O-N 3.22Å; M1384-K1391 PolarHBondContact O-NZ 3.32Å |
| 1385 | N | 82.6 | Confident | 85.2 | Confident | 143 Ų | 143 | 61.9 Ų | 61.9 | 77% | 0.765 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 10.6 | -173.4 | -63 | -27.5 | 0 | 0 | 0 | 114 | L1383 | L1383-N1385 VanDerWaalsContact C-N 3.34Å; L1383-N1385 PolarHBondContact O-N 3.35Å |
| 1386 | I | 86.3 | Confident | 85.1 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -64.3 | 144.4 | 173.3 | -56.9 | 168.7 | 0 | 0 | 0 | 109.2 | F1382 L1383 E1390 K1391 V1397 Q1400 | F1382-I1386 WeakPolarHBondContact O-CD1 3.42Å; F1382-I1386 WeakPolarHBondContact O-CG1 3.37Å; L1383-I1386 HydrophobicContact CB-CD1 4.46Å; L1383-I1386 HydrophobicContact CD2-CD1 3.99Å; L1383-I1386 WeakPolarHBondContact O-CG1 3.48Å; I1386-E1390 HydrophobicContact CG2-CB 3.52Å; I1386-E1390 HydrophobicContact CG2-CG 4.14Å; I1386-E1390 WeakPolarHBondContact CG2-OE2 3.31Å; I1386-K1391 WeakPolarHBondContact O-CE 3.44Å; I1386-K1391 PolarHBondContact O-NZ 2.97Å; I1386-K1391 VanDerWaalsContact O-NZ 3.16Å; I1386-V1397 HydrophobicContact CD1-CG1 4.47Å; I1386-Q1400 HydrophobicContact CD1-CB 3.86Å; I1386-Q1400 HydrophobicContact CD1-CG 3.59Å; I1386-Q1400 HydrophobicContact CG1-CG 4.2Å |
| 1387 | P | 81.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 47% | 0.468 | 31% | 0.308 | S | S | . | . | trans | -48.6 | 140.4 | 169.7 | -27.2 | 34.5 | 0 | 0 | 0 | 112.6 | E1389 E1390 K1391 | P1387-E1389 PolarHBondContact O-N 3.2Å; P1387-E1389 VanDerWaalsContact O-N 3.15Å; P1387-E1390 PolarHBondContact O-N 3.46Å; P1387-K1391 PolarHBondContact O-N 3.3Å | ||
| 1388 | D | 78 | Confident | 85.1 | Confident | 116 Ų | 116 | 56.8 Ų | 56.8 | 62% | 0.62 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.8 | -24.8 | -175.6 | -71.3 | -28.1 | 0 | 0 | 0 | 112.3 | E1390 K1391 V1392 | D1388-E1390 PolarHBondContact O-N 3.04Å; D1388-K1391 PolarHBondContact O-N 2.89Å; D1388-K1391 IonicContact OD1-NZ 2.68Å; D1388-K1391 PolarHBondContact OD1-NZ 3.49Å; D1388-V1392 WeakPolarHBondContact O-CG2 3.46Å |
| 1389 | E | 74.8 | Confident | 84.9 | Confident | 162 Ų | 162 | 58.8 Ų | 58.8 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.2 | -39.2 | 174 | -56.4 | 106.9 | -168.4 | 0 | 0 | 112.6 | P1387 | P1387-E1389 PolarHBondContact O-N 3.2Å; P1387-E1389 VanDerWaalsContact O-N 3.15Å |
| 1390 | E | 75.6 | Confident | 84.9 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -78 | -21.4 | 178.8 | -62.6 | -158.9 | 142.7 | 0 | 0 | 112.5 | I1386 P1387 D1388 V1392 R1396 V1397 | I1386-E1390 HydrophobicContact CG2-CB 3.52Å; I1386-E1390 HydrophobicContact CG2-CG 4.14Å; I1386-E1390 WeakPolarHBondContact CG2-OE2 3.31Å; P1387-E1390 PolarHBondContact O-N 3.46Å; D1388-E1390 PolarHBondContact O-N 3.04Å; E1390-V1392 VanDerWaalsContact C-N 3.25Å; E1390-V1392 PolarHBondContact O-N 3.5Å; E1390-R1396 HydrophobicContact CB-CG 3.98Å; E1390-R1396 HydrophobicContact CG-CG 4.08Å; E1390-R1396 IonicContact OE1-CZ 3.75Å; E1390-R1396 IonicContact OE1-NE 3.07Å; E1390-R1396 PolarHBondContact OE1-NE 3.5Å; E1390-R1396 IonicContact OE1-NH2 3.1Å; E1390-R1396 PolarHBondContact OE1-NH2 3.37Å; E1390-V1397 WeakPolarHBondContact O-CG2 3.42Å |
| 1391 | K | 80.1 | Confident | 85 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.7 | -21.6 | 176.6 | -67.7 | -178.4 | -171.7 | 145.8 | 0 | 112.9 | M1384 I1386 P1387 D1388 F1434 | M1384-K1391 PolarHBondContact O-NZ 3.32Å; I1386-K1391 WeakPolarHBondContact O-CE 3.44Å; I1386-K1391 PolarHBondContact O-NZ 2.97Å; I1386-K1391 VanDerWaalsContact O-NZ 3.16Å; P1387-K1391 PolarHBondContact O-N 3.3Å; D1388-K1391 PolarHBondContact O-N 2.89Å; D1388-K1391 IonicContact OD1-NZ 2.68Å; D1388-K1391 PolarHBondContact OD1-NZ 3.49Å; K1391-F1434 HydrophobicContact CB-CD2 4.36Å; K1391-F1434 HydrophobicContact CB-CE2 4.12Å; K1391-F1434 HydrophobicContact CD-CE1 4.46Å; K1391-F1434 HydrophobicContact CD-CZ 4.44Å; K1391-F1434 HydrophobicContact CG-CE2 4.07Å; K1391-F1434 HydrophobicContact CG-CZ 4.09Å |
| 1392 | V | 78.5 | Confident | 85.1 | Confident | 112 Ų | 112 | 52.2 Ų | 52.2 | 68% | 0.679 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -67 | -40.4 | -177.4 | -176 | 0 | 0 | 0 | 0 | 111.4 | D1388 E1390 P1394 | D1388-V1392 WeakPolarHBondContact O-CG2 3.46Å; E1390-V1392 VanDerWaalsContact C-N 3.25Å; E1390-V1392 PolarHBondContact O-N 3.5Å; V1392-P1394 WeakPolarHBondContact O-CD 3.32Å |
| 1393 | D | 83 | Confident | 84.9 | Confident | 74 Ų | 74 | 55.7 Ų | 55.7 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | trans | -100.6 | 108.5 | -179.5 | -175.4 | 3.5 | 0 | 0 | 0 | 111.5 | V1395 R1396 V1397 | D1393-V1395 PolarHBondContact O-N 3.44Å; D1393-V1395 VanDerWaalsContact O-N 3.08Å; D1393-V1395 VanDerWaalsContact OD1-CB 3.3Å; D1393-V1395 WeakPolarHBondContact OD1-CB 3.43Å; D1393-V1395 PolarHBondContact OD1-N 3.21Å; D1393-R1396 HydrophobicContact CB-CB 4.17Å; D1393-R1396 WeakPolarHBondContact O-CB 3.4Å; D1393-R1396 PolarHBondContact O-N 2.96Å; D1393-V1397 PolarHBondContact O-N 3.02Å | ||
| 1394 | P | 85 | Confident | 84.8 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -20.6 | 178.7 | 27.5 | -35.5 | 0 | 0 | 0 | 112.9 | V1392 C1398 Y1438 V1445 | V1392-P1394 WeakPolarHBondContact O-CD 3.32Å; P1394-C1398 PolarHBondContact O-N 3.17Å; P1394-C1398 PolarHBondContact O-SG 3.49Å; P1394-Y1438 HydrophobicContact CB-CD2 4.31Å; P1394-Y1438 HydrophobicContact CB-CG 4.29Å; P1394-Y1438 HydrophobicContact CG-CD1 4.09Å; P1394-Y1438 HydrophobicContact CG-CE1 4.05Å; P1394-Y1438 HydrophobicContact CG-CG 4.35Å; P1394-V1445 HydrophobicContact CB-CG1 3.97Å; P1394-V1445 HydrophobicContact CB-CG2 4.45Å; P1394-V1445 HydrophobicContact CG-CG1 4.37Å; P1394-V1445 HydrophobicContact CG-CG2 4.35Å |
| 1395 | V | 86.5 | Confident | 84.9 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 172.3 | 174 | 0 | 0 | 0 | 0 | 111.1 | D1393 C1398 V1445 R1448 W1449 | D1393-V1395 PolarHBondContact O-N 3.44Å; D1393-V1395 VanDerWaalsContact O-N 3.08Å; D1393-V1395 VanDerWaalsContact OD1-CB 3.3Å; D1393-V1395 WeakPolarHBondContact OD1-CB 3.43Å; D1393-V1395 PolarHBondContact OD1-N 3.21Å; V1395-C1398 WeakPolarHBondContact O-CB 3.46Å; V1395-C1398 PolarHBondContact O-N 3.27Å; V1395-V1445 HydrophobicContact CG2-CG1 4.29Å; V1395-R1448 HydrophobicContact CG2-CB 3.77Å; V1395-W1449 HydrophobicContact CG1-CB 4.01Å |
| 1396 | R | 86.6 | Confident | 84.9 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 24% | 0.242 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | 176.3 | -172 | 62.9 | 178.8 | -160.6 | -6.1 | 111.3 | E1390 D1393 C1398 F1399 E1492 | E1390-R1396 HydrophobicContact CB-CG 3.98Å; E1390-R1396 HydrophobicContact CG-CG 4.08Å; E1390-R1396 IonicContact OE1-CZ 3.75Å; E1390-R1396 IonicContact OE1-NE 3.07Å; E1390-R1396 PolarHBondContact OE1-NE 3.5Å; E1390-R1396 IonicContact OE1-NH2 3.1Å; E1390-R1396 PolarHBondContact OE1-NH2 3.37Å; D1393-R1396 HydrophobicContact CB-CB 4.17Å; D1393-R1396 WeakPolarHBondContact O-CB 3.4Å; D1393-R1396 PolarHBondContact O-N 2.96Å; R1396-C1398 PolarHBondContact O-N 2.67Å; R1396-F1399 WeakPolarHBondContact O-CD2 3.48Å; R1396-F1399 PolarHBondContact O-N 3.29Å; R1396-F1399 VanDerWaalsContact O-N 3.15Å; R1396-E1492 IonicContact CZ-OE2 3.56Å; R1396-E1492 IonicContact NH1-OE2 3.92Å; R1396-E1492 IonicContact NH2-OE2 3.77Å; R1396-E1492 PolarHBondContact NH2-OE2 3.17Å |
| 1397 | V | 89.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.2 | -29.6 | 177.3 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | L1383 I1386 E1390 D1393 F1399 Q1400 I1401 F1434 L1435 | L1383-V1397 HydrophobicContact CD2-CG1 3.77Å; I1386-V1397 HydrophobicContact CD1-CG1 4.47Å; E1390-V1397 WeakPolarHBondContact O-CG2 3.42Å; D1393-V1397 PolarHBondContact O-N 3.02Å; V1397-F1399 PolarHBondContact O-N 3.48Å; V1397-F1399 VanDerWaalsContact O-N 3.17Å; V1397-Q1400 WeakPolarHBondContact O-CB 3.36Å; V1397-Q1400 PolarHBondContact O-N 2.8Å; V1397-I1401 HydrophobicContact CG1-CD1 4.19Å; V1397-I1401 HydrophobicContact CG1-CG1 4.28Å; V1397-I1401 WeakPolarHBondContact O-CG1 3.41Å; V1397-I1401 PolarHBondContact O-N 3.11Å; V1397-F1434 HydrophobicContact CG1-CE2 4.31Å; V1397-F1434 HydrophobicContact CG1-CZ 4.2Å; V1397-F1434 HydrophobicContact CG2-CE2 4.05Å; V1397-L1435 HydrophobicContact CB-CD2 4.3Å; V1397-L1435 HydrophobicContact CG1-CD1 3.91Å; V1397-L1435 HydrophobicContact CG1-CD2 4.02Å; V1397-L1435 HydrophobicContact CG1-CG 4.44Å; V1397-L1435 HydrophobicContact CG2-CD2 4.39Å |
| 1398 | C | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -26.1 | 178.2 | -69.9 | 0 | 0 | 0 | 0 | 114.1 | P1394 V1395 R1396 I1401 E1402 W1449 | P1394-C1398 PolarHBondContact O-N 3.17Å; P1394-C1398 PolarHBondContact O-SG 3.49Å; V1395-C1398 WeakPolarHBondContact O-CB 3.46Å; V1395-C1398 PolarHBondContact O-N 3.27Å; R1396-C1398 PolarHBondContact O-N 2.67Å; C1398-I1401 PolarHBondContact O-N 3.34Å; C1398-E1402 PolarHBondContact O-N 3.41Å; C1398-W1449 HydrophobicContact CB-CB 3.96Å; C1398-W1449 VanDerWaalsContact CB-CD1 3.48Å; C1398-W1449 HydrophobicContact CB-CD2 3.73Å; C1398-W1449 HydrophobicContact CB-CE3 4.47Å; C1398-W1449 HydrophobicContact CB-CG 3.45Å; C1398-W1449 VanDerWaalsContact CB-CG 3.45Å |
| 1399 | F | 88 | Confident | 85.2 | Confident | 44 Ų | 44 | 43.3 Ų | 43.3 | 19% | 0.193 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 173 | -72.3 | -89.9 | 0 | 0 | 0 | 111.9 | R1396 V1397 E1402 Q1403 W1449 Y1452 K1453 | R1396-F1399 WeakPolarHBondContact O-CD2 3.48Å; R1396-F1399 PolarHBondContact O-N 3.29Å; R1396-F1399 VanDerWaalsContact O-N 3.15Å; V1397-F1399 PolarHBondContact O-N 3.48Å; V1397-F1399 VanDerWaalsContact O-N 3.17Å; F1399-E1402 PolarHBondContact O-N 3.45Å; F1399-Q1403 PolarHBondContact O-N 3.3Å; F1399-Q1403 VanDerWaalsContact O-N 3.16Å; F1399-W1449 AromaticContact CD1-NE1 3.93Å; F1399-W1449 AromaticContact CD2-CD1 3.84Å; F1399-W1449 AromaticContact CD2-NE1 3.6Å; F1399-W1449 AromaticContact CE1-NE1 3.94Å; F1399-W1449 AromaticContact CE2-CD1 3.61Å; F1399-W1449 AromaticContact CE2-NE1 3.6Å; F1399-W1449 AromaticContact CG-NE1 3.78Å; F1399-W1449 AromaticContact CZ-NE1 3.78Å; F1399-Y1452 AromaticContact CE2-CD1 3.69Å; F1399-Y1452 HydrophobicContact CE2-CD1 3.69Å; F1399-Y1452 AromaticContact CE2-CE1 3.71Å; F1399-Y1452 HydrophobicContact CE2-CE1 3.71Å; F1399-Y1452 AromaticContact CZ-CD1 3.63Å; F1399-Y1452 HydrophobicContact CZ-CD1 3.63Å; F1399-Y1452 AromaticContact CZ-CE1 3.65Å; F1399-Y1452 HydrophobicContact CZ-CE1 3.65Å; F1399-K1453 HydrophobicContact CE1-CD 4.47Å; F1399-K1453 HydrophobicContact CE1-CG 3.88Å; F1399-K1453 HydrophobicContact CZ-CB 4.32Å; F1399-K1453 HydrophobicContact CZ-CG 4.14Å |
| 1400 | Q | 89.7 | Confident | 85.4 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 20% | 0.201 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.7 | -34.2 | 176.3 | -59 | -64.3 | -10.9 | 0 | 0 | 111.4 | L1383 I1386 V1397 E1402 Q1403 A1404 | L1383-Q1400 HydrophobicContact CD2-CB 3.8Å; I1386-Q1400 HydrophobicContact CD1-CB 3.86Å; I1386-Q1400 HydrophobicContact CD1-CG 3.59Å; I1386-Q1400 HydrophobicContact CG1-CG 4.2Å; V1397-Q1400 WeakPolarHBondContact O-CB 3.36Å; V1397-Q1400 PolarHBondContact O-N 2.8Å; Q1400-E1402 VanDerWaalsContact C-N 3.33Å; Q1400-Q1403 PolarHBondContact O-N 2.93Å; Q1400-A1404 WeakPolarHBondContact O-CB 3.42Å; Q1400-A1404 PolarHBondContact O-N 3.44Å |
| 1401 | I | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -36.5 | 173.7 | -59.2 | 173.4 | 0 | 0 | 0 | 111.1 | L1383 V1397 C1398 A1404 H1405 F1424 M1425 I1428 F1429 L1435 | L1383-I1401 HydrophobicContact CD1-CG1 4.23Å; L1383-I1401 HydrophobicContact CD2-CG1 3.8Å; V1397-I1401 HydrophobicContact CG1-CD1 4.19Å; V1397-I1401 HydrophobicContact CG1-CG1 4.28Å; V1397-I1401 WeakPolarHBondContact O-CG1 3.41Å; V1397-I1401 PolarHBondContact O-N 3.11Å; C1398-I1401 PolarHBondContact O-N 3.34Å; I1401-A1404 PolarHBondContact O-N 2.96Å; I1401-H1405 WeakPolarHBondContact O-CB 3.44Å; I1401-H1405 PolarHBondContact O-N 3.18Å; I1401-F1424 HydrophobicContact CG2-CD1 3.95Å; I1401-F1424 HydrophobicContact CG2-CE1 3.93Å; I1401-F1424 WeakPolarHBondContact O-CE1 3.48Å; I1401-M1425 HydrophobicContact CB-CG 4.4Å; I1401-M1425 HydrophobicContact CD1-CG 4.29Å; I1401-M1425 HydrophobicContact CG2-CG 3.6Å; I1401-I1428 HydrophobicContact CD1-CG2 3.89Å; I1401-I1428 HydrophobicContact CG1-CG2 3.96Å; I1401-I1428 HydrophobicContact CG2-CB 4.38Å; I1401-I1428 HydrophobicContact CG2-CG1 4.38Å; I1401-I1428 HydrophobicContact CG2-CG2 4.28Å; I1401-F1429 HydrophobicContact CD1-CD2 3.82Å; I1401-F1429 HydrophobicContact CD1-CE2 3.33Å; I1401-F1429 HydrophobicContact CD1-CZ 4.3Å; I1401-L1435 HydrophobicContact CD1-CD1 3.89Å |
| 1402 | E | 91.4 | Very high | 85.5 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 173.1 | -179.8 | 174.9 | -126.2 | 0 | 0 | 111.9 | C1398 F1399 Q1400 A1404 H1405 W1406 W1449 K1453 | C1398-E1402 PolarHBondContact O-N 3.41Å; F1399-E1402 PolarHBondContact O-N 3.45Å; Q1400-E1402 VanDerWaalsContact C-N 3.33Å; E1402-A1404 VanDerWaalsContact C-N 3.33Å; E1402-A1404 PolarHBondContact O-N 3.08Å; E1402-H1405 WeakPolarHBondContact O-CB 3.48Å; E1402-H1405 PolarHBondContact O-N 2.96Å; E1402-W1406 PolarHBondContact O-N 2.95Å; E1402-W1449 HydrophobicContact CB-CH2 4.26Å; E1402-W1449 HydrophobicContact CB-CZ2 4.02Å; E1402-W1449 HydrophobicContact CG-CH2 4.43Å; E1402-W1449 HydrophobicContact CG-CZ2 4.41Å; E1402-K1453 IonicContact OE1-NZ 3.8Å; E1402-K1453 PolarHBondContact OE1-NZ 3.47Å; E1402-K1453 WeakPolarHBondContact OE2-CE 3.14Å; E1402-K1453 IonicContact OE2-NZ 3.5Å; E1402-K1453 PolarHBondContact OE2-NZ 3.24Å |
| 1403 | Q | 87.5 | Confident | 85.2 | Confident | 102 Ų | 102 | 37.5 Ų | 37.5 | 48% | 0.477 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 173 | -68 | -174.8 | 40.6 | 0 | 0 | 111.8 | F1382 F1399 Q1400 H1405 W1406 F1407 | F1382-Q1403 HydrophobicContact CD1-CB 4.1Å; F1382-Q1403 HydrophobicContact CE1-CB 4.09Å; F1399-Q1403 PolarHBondContact O-N 3.3Å; F1399-Q1403 VanDerWaalsContact O-N 3.16Å; Q1400-Q1403 PolarHBondContact O-N 2.93Å; Q1403-H1405 VanDerWaalsContact C-N 3.28Å; Q1403-H1405 PolarHBondContact O-N 2.82Å; Q1403-W1406 PolarHBondContact O-N 2.91Å; Q1403-F1407 WeakPolarHBondContact O-CB 3.19Å; Q1403-F1407 PolarHBondContact O-N 2.92Å |
| 1404 | A | 89.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -37.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1378 F1382 Q1400 I1401 E1402 F1407 Y1408 F1424 | L1378-A1404 HydrophobicContact CD2-CB 4.31Å; L1378-A1404 WeakPolarHBondContact CD2-O 3.34Å; F1382-A1404 HydrophobicContact CB-CB 3.98Å; F1382-A1404 HydrophobicContact CD2-CB 3.59Å; F1382-A1404 HydrophobicContact CE2-CB 4.23Å; F1382-A1404 HydrophobicContact CG-CB 3.78Å; Q1400-A1404 WeakPolarHBondContact O-CB 3.42Å; Q1400-A1404 PolarHBondContact O-N 3.44Å; I1401-A1404 PolarHBondContact O-N 2.96Å; E1402-A1404 VanDerWaalsContact C-N 3.33Å; E1402-A1404 PolarHBondContact O-N 3.08Å; A1404-F1407 PolarHBondContact O-N 3.07Å; A1404-Y1408 VanDerWaalsContact O-CB 3.32Å; A1404-Y1408 WeakPolarHBondContact O-CB 3.42Å; A1404-Y1408 PolarHBondContact O-N 3.1Å; A1404-F1424 HydrophobicContact CB-CE1 4.12Å; A1404-F1424 HydrophobicContact CB-CZ 4.13Å |
| 1405 | H | 88.8 | Confident | 82.7 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 174.9 | 174.4 | -97.3 | 0 | 0 | 0 | 111.1 | I1401 E1402 Q1403 F1407 Y1408 V1409 L1421 F1424 | I1401-H1405 WeakPolarHBondContact O-CB 3.44Å; I1401-H1405 PolarHBondContact O-N 3.18Å; E1402-H1405 WeakPolarHBondContact O-CB 3.48Å; E1402-H1405 PolarHBondContact O-N 2.96Å; Q1403-H1405 VanDerWaalsContact C-N 3.28Å; Q1403-H1405 PolarHBondContact O-N 2.82Å; H1405-F1407 VanDerWaalsContact C-N 3.33Å; H1405-F1407 PolarHBondContact O-N 2.67Å; H1405-Y1408 CarbonylContact O-C 3.52Å; H1405-Y1408 WeakPolarHBondContact O-CA 3.27Å; H1405-Y1408 VanDerWaalsContact O-CB 3.31Å; H1405-Y1408 WeakPolarHBondContact O-CB 3.4Å; H1405-Y1408 PolarHBondContact O-N 2.88Å; H1405-Y1408 VanDerWaalsContact O-N 3.09Å; H1405-V1409 VanDerWaalsContact O-CG2 3.23Å; H1405-V1409 WeakPolarHBondContact O-CG2 3.46Å; H1405-V1409 PolarHBondContact O-N 3.38Å; H1405-L1421 HydrophobicContact CB-CD1 3.67Å; H1405-F1424 VanDerWaalsContact CA-CE1 3.48Å; H1405-F1424 HydrophobicContact CB-CD1 3.62Å; H1405-F1424 HydrophobicContact CB-CE1 3.62Å; H1405-F1424 HydrophobicContact CB-CG 4.12Å; H1405-F1424 HydrophobicContact CB-CZ 4.12Å; H1405-F1424 AromaticContact CD2-CD2 3.93Å; H1405-F1424 AromaticContact CD2-CG 3.62Å |
| 1406 | W | 82.3 | Confident | 81.2 | Confident | 103 Ų | 103 | 44.5 Ų | 44.5 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.6 | -67 | 125.6 | 0 | 0 | 0 | 112.3 | E1402 Q1403 Y1408 V1409 D1410 Y1478 | E1402-W1406 PolarHBondContact O-N 2.95Å; Q1403-W1406 PolarHBondContact O-N 2.91Å; W1406-Y1408 VanDerWaalsContact C-N 3.29Å; W1406-Y1408 PolarHBondContact O-N 3.08Å; W1406-V1409 HydrophobicContact CE3-CG2 4.47Å; W1406-V1409 PolarHBondContact O-N 3.26Å; W1406-D1410 WeakPolarHBondContact O-CB 3.36Å; W1406-D1410 PolarHBondContact O-N 2.89Å; W1406-Y1478 HydrophobicContact CE3-CE2 4.12Å; W1406-Y1478 AromaticContact CH2-CD2 3.74Å; W1406-Y1478 HydrophobicContact CH2-CD2 3.74Å; W1406-Y1478 AromaticContact CH2-CE2 3.7Å; W1406-Y1478 HydrophobicContact CH2-CE2 3.7Å; W1406-Y1478 AromaticContact CZ3-CD2 3.77Å; W1406-Y1478 HydrophobicContact CZ3-CD2 3.77Å; W1406-Y1478 AromaticContact CZ3-CE2 3.21Å; W1406-Y1478 HydrophobicContact CZ3-CE2 3.21Å; W1406-Y1478 AromaticContact CZ3-CZ 3.75Å |
| 1407 | F | 85.5 | Confident | 79.6 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 171.4 | -168.3 | -88.8 | 0 | 0 | 0 | 111.8 | L1378 R1381 F1382 Q1403 A1404 H1405 D1410 F1411 F1412 | L1378-F1407 HydrophobicContact CD2-CD1 3.87Å; R1381-F1407 VanDerWaalsContact CZ-CE2 3.47Å; R1381-F1407 VanDerWaalsContact NH1-CZ 3.27Å; F1382-F1407 HydrophobicContact CE2-CB 3.67Å; F1382-F1407 AromaticContact CE2-CD1 3.95Å; F1382-F1407 HydrophobicContact CE2-CD1 3.95Å; F1382-F1407 HydrophobicContact CE2-CD2 4.22Å; F1382-F1407 AromaticContact CE2-CG 3.67Å; F1382-F1407 HydrophobicContact CE2-CG 3.67Å; F1382-F1407 HydrophobicContact CZ-CB 3.5Å; F1382-F1407 VanDerWaalsContact CZ-CB 3.5Å; F1382-F1407 HydrophobicContact CZ-CD1 4.3Å; F1382-F1407 AromaticContact CZ-CD2 3.75Å; F1382-F1407 HydrophobicContact CZ-CD2 3.75Å; F1382-F1407 AromaticContact CZ-CG 3.58Å; F1382-F1407 HydrophobicContact CZ-CG 3.58Å; Q1403-F1407 WeakPolarHBondContact O-CB 3.19Å; Q1403-F1407 PolarHBondContact O-N 2.92Å; A1404-F1407 PolarHBondContact O-N 3.07Å; H1405-F1407 VanDerWaalsContact C-N 3.33Å; H1405-F1407 PolarHBondContact O-N 2.67Å; F1407-D1410 PolarHBondContact O-N 3.01Å; F1407-F1411 HydrophobicContact CB-CD2 4.47Å; F1407-F1411 HydrophobicContact CD1-CB 4.44Å; F1407-F1411 HydrophobicContact CD1-CD2 4.05Å; F1407-F1411 AromaticContact CD2-CD2 3.37Å; F1407-F1411 HydrophobicContact CD2-CD2 3.37Å; F1407-F1411 AromaticContact CD2-CE2 3.41Å; F1407-F1411 HydrophobicContact CD2-CE2 3.41Å; F1407-F1411 VanDerWaalsContact CD2-CE2 3.41Å; F1407-F1411 HydrophobicContact CD2-CG 4.37Å; F1407-F1411 HydrophobicContact CD2-CZ 4.42Å; F1407-F1411 HydrophobicContact CE1-CB 4.12Å; F1407-F1411 HydrophobicContact CE1-CD2 4.03Å; F1407-F1411 HydrophobicContact CE1-CG 4.19Å; F1407-F1411 AromaticContact CE2-CD2 3.35Å; F1407-F1411 HydrophobicContact CE2-CD2 3.35Å; F1407-F1411 AromaticContact CE2-CE2 3.35Å; F1407-F1411 HydrophobicContact CE2-CE2 3.35Å; F1407-F1411 AromaticContact CE2-CG 3.99Å; F1407-F1411 HydrophobicContact CE2-CG 3.99Å; F1407-F1411 AromaticContact CE2-CZ 3.98Å; F1407-F1411 HydrophobicContact CE2-CZ 3.98Å; F1407-F1411 AromaticContact CG-CD2 3.72Å; F1407-F1411 HydrophobicContact CG-CD2 3.72Å; F1407-F1411 HydrophobicContact CG-CE2 4.2Å; F1407-F1411 HydrophobicContact CZ-CB 4.27Å; F1407-F1411 HydrophobicContact CZ-CD1 4.45Å; F1407-F1411 AromaticContact CZ-CD2 3.68Å; F1407-F1411 HydrophobicContact CZ-CD2 3.68Å; F1407-F1411 HydrophobicContact CZ-CE2 4.1Å; F1407-F1411 AromaticContact CZ-CG 3.88Å; F1407-F1411 HydrophobicContact CZ-CG 3.88Å; F1407-F1411 WeakPolarHBondContact O-CB 3.29Å; F1407-F1411 WeakPolarHBondContact O-CD2 3.26Å; F1407-F1411 PolarHBondContact O-N 2.99Å; F1407-F1412 HydrophobicContact CD1-CD2 4.44Å; F1407-F1412 AromaticContact CD1-CE2 3.91Å; F1407-F1412 HydrophobicContact CD1-CE2 3.91Å; F1407-F1412 AromaticContact CE1-CE2 3.72Å; F1407-F1412 HydrophobicContact CE1-CE2 3.72Å; F1407-F1412 HydrophobicContact CE1-CZ 4.5Å |
| 1408 | Y | 86.1 | Confident | 78.2 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.5 | 175.2 | -111.3 | 0 | 0 | 0 | 112.3 | I1370 V1374 L1378 A1404 H1405 W1406 F1412 C1413 C1417 F1424 | I1370-Y1408 HydrophobicContact CD1-CE1 4.29Å; I1370-Y1408 HydrophobicContact CG1-CE1 4.47Å; I1370-Y1408 HydrophobicContact CG2-CD2 4.48Å; I1370-Y1408 HydrophobicContact CG2-CE2 3.92Å; V1374-Y1408 HydrophobicContact CG1-CD2 3.85Å; V1374-Y1408 HydrophobicContact CG1-CE2 4.02Å; L1378-Y1408 HydrophobicContact CD1-CD2 4.18Å; L1378-Y1408 HydrophobicContact CD1-CG 4.41Å; A1404-Y1408 VanDerWaalsContact O-CB 3.32Å; A1404-Y1408 WeakPolarHBondContact O-CB 3.42Å; A1404-Y1408 PolarHBondContact O-N 3.1Å; H1405-Y1408 CarbonylContact O-C 3.52Å; H1405-Y1408 WeakPolarHBondContact O-CA 3.27Å; H1405-Y1408 VanDerWaalsContact O-CB 3.31Å; H1405-Y1408 WeakPolarHBondContact O-CB 3.4Å; H1405-Y1408 PolarHBondContact O-N 2.88Å; H1405-Y1408 VanDerWaalsContact O-N 3.09Å; W1406-Y1408 VanDerWaalsContact C-N 3.29Å; W1406-Y1408 PolarHBondContact O-N 3.08Å; Y1408-F1412 HydrophobicContact CD2-CB 3.61Å; Y1408-F1412 HydrophobicContact CD2-CD2 4.05Å; Y1408-F1412 HydrophobicContact CD2-CG 4.04Å; Y1408-F1412 HydrophobicContact CE2-CB 3.73Å; Y1408-F1412 HydrophobicContact CE2-CG 4.43Å; Y1408-F1412 WeakPolarHBondContact O-CA 3.49Å; Y1408-F1412 WeakPolarHBondContact O-CB 3.38Å; Y1408-F1412 PolarHBondContact O-N 3.13Å; Y1408-C1413 WeakPolarHBondContact CE1-SG 3.38Å; Y1408-C1413 PolarHBondContact O-N 2.86Å; Y1408-C1413 VanDerWaalsContact O-N 3.11Å; Y1408-C1413 PolarHBondContact O-SG 3Å; Y1408-C1417 VanDerWaalsContact CE1-SG 3.54Å; Y1408-F1424 AromaticContact CD1-CD2 3.8Å; Y1408-F1424 HydrophobicContact CD1-CD2 3.8Å; Y1408-F1424 AromaticContact CD1-CE2 3.7Å; Y1408-F1424 HydrophobicContact CD1-CE2 3.7Å; Y1408-F1424 HydrophobicContact CD2-CE2 4.38Å; Y1408-F1424 HydrophobicContact CE1-CD2 4.34Å; Y1408-F1424 HydrophobicContact CG-CD2 4.2Å; Y1408-F1424 AromaticContact CG-CE2 3.61Å; Y1408-F1424 HydrophobicContact CG-CE2 3.61Å |
| 1409 | V | 80.9 | Confident | 77.3 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | H1405 W1406 C1413 G1415 C1417 Y1478 | H1405-V1409 VanDerWaalsContact O-CG2 3.23Å; H1405-V1409 WeakPolarHBondContact O-CG2 3.46Å; H1405-V1409 PolarHBondContact O-N 3.38Å; W1406-V1409 HydrophobicContact CE3-CG2 4.47Å; W1406-V1409 PolarHBondContact O-N 3.26Å; V1409-C1413 WeakPolarHBondContact O-CB 3.44Å; V1409-G1415 PolarHBondContact O-N 3.01Å; V1409-G1415 VanDerWaalsContact O-N 3.16Å; V1409-C1417 HydrophobicContact CB-CB 4.28Å; V1409-C1417 HydrophobicContact CG1-CB 4.05Å; V1409-C1417 HydrophobicContact CG2-CB 3.54Å; V1409-Y1478 VanDerWaalsContact CG1-OH 3.28Å; V1409-Y1478 WeakPolarHBondContact CG1-OH 3.35Å |
| 1410 | D | 77.5 | Confident | 76.8 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.2 | -40.1 | -175.2 | -77.8 | -7.8 | 0 | 0 | 0 | 113.3 | W1406 F1407 R1550 N1551 | W1406-D1410 WeakPolarHBondContact O-CB 3.36Å; W1406-D1410 PolarHBondContact O-N 2.89Å; F1407-D1410 PolarHBondContact O-N 3.01Å; D1410-R1550 WeakPolarHBondContact OD2-CB 3.14Å; D1410-N1551 PolarHBondContact OD1-ND2 3.34Å |
| 1411 | F | 79.9 | Confident | 76.6 | Confident | 108 Ų | 108 | 48 Ų | 48 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -106.3 | -24.7 | -170.1 | -65.3 | -85.8 | 0 | 0 | 0 | 114.2 | F1407 R1550 | F1407-F1411 HydrophobicContact CB-CD2 4.47Å; F1407-F1411 HydrophobicContact CD1-CB 4.44Å; F1407-F1411 HydrophobicContact CD1-CD2 4.05Å; F1407-F1411 AromaticContact CD2-CD2 3.37Å; F1407-F1411 HydrophobicContact CD2-CD2 3.37Å; F1407-F1411 AromaticContact CD2-CE2 3.41Å; F1407-F1411 HydrophobicContact CD2-CE2 3.41Å; F1407-F1411 VanDerWaalsContact CD2-CE2 3.41Å; F1407-F1411 HydrophobicContact CD2-CG 4.37Å; F1407-F1411 HydrophobicContact CD2-CZ 4.42Å; F1407-F1411 HydrophobicContact CE1-CB 4.12Å; F1407-F1411 HydrophobicContact CE1-CD2 4.03Å; F1407-F1411 HydrophobicContact CE1-CG 4.19Å; F1407-F1411 AromaticContact CE2-CD2 3.35Å; F1407-F1411 HydrophobicContact CE2-CD2 3.35Å; F1407-F1411 AromaticContact CE2-CE2 3.35Å; F1407-F1411 HydrophobicContact CE2-CE2 3.35Å; F1407-F1411 AromaticContact CE2-CG 3.99Å; F1407-F1411 HydrophobicContact CE2-CG 3.99Å; F1407-F1411 AromaticContact CE2-CZ 3.98Å; F1407-F1411 HydrophobicContact CE2-CZ 3.98Å; F1407-F1411 AromaticContact CG-CD2 3.72Å; F1407-F1411 HydrophobicContact CG-CD2 3.72Å; F1407-F1411 HydrophobicContact CG-CE2 4.2Å; F1407-F1411 HydrophobicContact CZ-CB 4.27Å; F1407-F1411 HydrophobicContact CZ-CD1 4.45Å; F1407-F1411 AromaticContact CZ-CD2 3.68Å; F1407-F1411 HydrophobicContact CZ-CD2 3.68Å; F1407-F1411 HydrophobicContact CZ-CE2 4.1Å; F1407-F1411 AromaticContact CZ-CG 3.88Å; F1407-F1411 HydrophobicContact CZ-CG 3.88Å; F1407-F1411 WeakPolarHBondContact O-CB 3.29Å; F1407-F1411 WeakPolarHBondContact O-CD2 3.26Å; F1407-F1411 PolarHBondContact O-N 2.99Å; F1411-R1550 VanDerWaalsContact CE1-NH1 3.3Å |
| 1412 | F | 77.7 | Confident | 76.3 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 30% | 0.303 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -24.4 | -177.5 | -63.9 | -87.9 | 0 | 0 | 0 | 114.1 | V1374 L1378 F1407 Y1408 | V1374-F1412 HydrophobicContact CB-CD1 4.44Å; V1374-F1412 HydrophobicContact CB-CE1 4.32Å; V1374-F1412 HydrophobicContact CG1-CD1 3.78Å; V1374-F1412 HydrophobicContact CG1-CD2 4.05Å; V1374-F1412 HydrophobicContact CG1-CE1 3.83Å; V1374-F1412 HydrophobicContact CG1-CE2 4.03Å; V1374-F1412 HydrophobicContact CG1-CG 3.88Å; V1374-F1412 HydrophobicContact CG1-CZ 3.94Å; V1374-F1412 HydrophobicContact CG2-CD1 3.79Å; V1374-F1412 HydrophobicContact CG2-CE1 3.77Å; L1378-F1412 HydrophobicContact CD2-CE2 4.35Å; F1407-F1412 HydrophobicContact CD1-CD2 4.44Å; F1407-F1412 AromaticContact CD1-CE2 3.91Å; F1407-F1412 HydrophobicContact CD1-CE2 3.91Å; F1407-F1412 AromaticContact CE1-CE2 3.72Å; F1407-F1412 HydrophobicContact CE1-CE2 3.72Å; F1407-F1412 HydrophobicContact CE1-CZ 4.5Å; Y1408-F1412 HydrophobicContact CD2-CB 3.61Å; Y1408-F1412 HydrophobicContact CD2-CD2 4.05Å; Y1408-F1412 HydrophobicContact CD2-CG 4.04Å; Y1408-F1412 HydrophobicContact CE2-CB 3.73Å; Y1408-F1412 HydrophobicContact CE2-CG 4.43Å; Y1408-F1412 WeakPolarHBondContact O-CA 3.49Å; Y1408-F1412 WeakPolarHBondContact O-CB 3.38Å; Y1408-F1412 PolarHBondContact O-N 3.13Å |
| 1413 | C | 73 | Confident | 76 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -100.2 | -7 | -179.7 | -56 | 0 | 0 | 0 | 0 | 114.1 | Y1408 V1409 G1415 E1416 C1417 | Y1408-C1413 WeakPolarHBondContact CE1-SG 3.38Å; Y1408-C1413 PolarHBondContact O-N 2.86Å; Y1408-C1413 VanDerWaalsContact O-N 3.11Å; Y1408-C1413 PolarHBondContact O-SG 3Å; V1409-C1413 WeakPolarHBondContact O-CB 3.44Å; C1413-G1415 PolarHBondContact O-N 2.63Å; C1413-G1415 VanDerWaalsContact O-N 3.17Å; C1413-E1416 PolarHBondContact O-N 3.36Å; C1413-C1417 HydrophobicContact CB-CB 4.29Å |
| 1414 | G | 60.3 | Low | 76.1 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 68% | 0.68 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 23.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1415 | G | 55 | Low | 76.2 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -9.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1409 C1413 | V1409-G1415 PolarHBondContact O-N 3.01Å; V1409-G1415 VanDerWaalsContact O-N 3.16Å; C1413-G1415 PolarHBondContact O-N 2.63Å; C1413-G1415 VanDerWaalsContact O-N 3.17Å |
| 1416 | E | 54.9 | Low | 76.2 | Confident | 158 Ų | 158 | 53.6 Ų | 53.6 | 74% | 0.738 | 29% | 0.29 | S | S | * | . | trans | -113.7 | 84 | 173.8 | -71.4 | -170.5 | 168.6 | 0 | 0 | 110.3 | C1413 S1418 | C1413-E1416 PolarHBondContact O-N 3.36Å; E1416-S1418 PolarHBondContact O-N 2.94Å | ||
| 1417 | C | 54.1 | Low | 76.5 | Confident | 39 Ų | 39 | 50 Ų | 50 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | trans | -74.2 | 123.4 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 110.9 | Y1408 V1409 C1413 C1419 | Y1408-C1417 VanDerWaalsContact CE1-SG 3.54Å; V1409-C1417 HydrophobicContact CB-CB 4.28Å; V1409-C1417 HydrophobicContact CG1-CB 4.05Å; V1409-C1417 HydrophobicContact CG2-CB 3.54Å; C1413-C1417 HydrophobicContact CB-CB 4.29Å; C1417-C1419 PolarHBondContact SG-O 3.45Å; C1417-C1419 VanDerWaalsContact SG-SG 3.65Å | ||
| 1418 | S | 59.8 | Low | 76.8 | Confident | 84 Ų | 84 | 48.9 Ų | 48.9 | 59% | 0.587 | 28% | 0.278 | S | S | * | . | trans | -79.4 | -19.4 | 177.3 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | E1416 | E1416-S1418 PolarHBondContact O-N 2.94Š| ||
| 1419 | C | 69.7 | Low | 77.1 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -106.2 | 140.2 | -176.9 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | C1417 E1423 | C1417-C1419 PolarHBondContact SG-O 3.45Å; C1417-C1419 VanDerWaalsContact SG-SG 3.65Å; C1419-E1423 VanDerWaalsContact CA-OE2 3.22Å; C1419-E1423 WeakPolarHBondContact CA-OE2 3.48Å; C1419-E1423 HydrophobicContact CB-CB 4.16Å; C1419-E1423 WeakPolarHBondContact CB-OE2 3.5Å |
| 1420 | S | 79.1 | Confident | 77.5 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -72.1 | 155.1 | 176.7 | 69.9 | 0 | 0 | 0 | 0 | 111 | R1422 E1423 F1424 | S1420-R1422 PolarHBondContact O-N 3.06Å; S1420-E1423 WeakPolarHBondContact CB-OE1 3.36Å; S1420-E1423 PolarHBondContact N-OE2 2.89Å; S1420-E1423 WeakPolarHBondContact O-CB 3.06Å; S1420-E1423 PolarHBondContact O-N 3.36Å; S1420-E1423 PolarHBondContact OG-N 3.34Å; S1420-E1423 PolarHBondContact OG-OE1 3.38Å; S1420-F1424 PolarHBondContact O-N 2.98Å | ||
| 1421 | L | 84.4 | Confident | 78.1 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.3 | -30.1 | 174.7 | 177.4 | 63.7 | 0 | 0 | 0 | 112.3 | H1405 M1425 M1446 W1449 | H1405-L1421 HydrophobicContact CB-CD1 3.67Å; L1421-M1425 HydrophobicContact CD1-CE 4.02Å; L1421-M1425 HydrophobicContact CD2-CE 4.1Å; L1421-M1425 HydrophobicContact CG-CE 3.83Å; L1421-M1425 WeakPolarHBondContact O-CB 3.31Å; L1421-M1425 PolarHBondContact O-N 2.92Å; L1421-M1446 HydrophobicContact CB-CE 4.41Å; L1421-M1446 HydrophobicContact CD2-CE 4.08Å; L1421-M1446 HydrophobicContact CG-CE 4Å; L1421-W1449 HydrophobicContact CD2-CH2 3.82Å; L1421-W1449 HydrophobicContact CD2-CZ3 3.92Å |
| 1422 | R | 85.1 | Confident | 78.5 | Confident | 122 Ų | 122 | 45.2 Ų | 45.2 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.5 | -48.8 | 175.7 | -170.9 | -177.4 | -162.8 | 178.6 | 0.8 | 111.9 | S1420 F1424 M1425 S1426 T1443 M1446 | S1420-R1422 PolarHBondContact O-N 3.06Å; R1422-F1424 VanDerWaalsContact C-N 3.32Å; R1422-M1425 PolarHBondContact O-N 3.31Å; R1422-S1426 PolarHBondContact O-N 3.1Å; R1422-S1426 PolarHBondContact O-OG 3.03Å; R1422-T1443 PolarHBondContact NH2-OG1 2.8Å; R1422-M1446 HydrophobicContact CB-CE 4.17Å; R1422-M1446 HydrophobicContact CB-SD 4.02Å; R1422-M1446 HydrophobicContact CG-SD 3.95Å |
| 1423 | E | 85.8 | Confident | 78.9 | Confident | 87 Ų | 87 | 46.2 Ų | 46.2 | 41% | 0.407 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.5 | -72.1 | 146.4 | -133.5 | 0 | 0 | 111.3 | C1419 S1420 S1426 A1427 | C1419-E1423 VanDerWaalsContact CA-OE2 3.22Å; C1419-E1423 WeakPolarHBondContact CA-OE2 3.48Å; C1419-E1423 HydrophobicContact CB-CB 4.16Å; C1419-E1423 WeakPolarHBondContact CB-OE2 3.5Å; S1420-E1423 WeakPolarHBondContact CB-OE1 3.36Å; S1420-E1423 PolarHBondContact N-OE2 2.89Å; S1420-E1423 WeakPolarHBondContact O-CB 3.06Å; S1420-E1423 PolarHBondContact O-N 3.36Å; S1420-E1423 PolarHBondContact OG-N 3.34Å; S1420-E1423 PolarHBondContact OG-OE1 3.38Å; E1423-S1426 PolarHBondContact O-N 3.25Å; E1423-A1427 PolarHBondContact O-N 2.84Å |
| 1424 | F | 89.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175 | -174.6 | -89.9 | 0 | 0 | 0 | 111.8 | I1370 L1378 I1401 A1404 H1405 Y1408 S1420 R1422 S1426 A1427 I1428 | I1370-F1424 HydrophobicContact CD1-CD2 3.48Å; I1370-F1424 VanDerWaalsContact CD1-CD2 3.48Å; I1370-F1424 HydrophobicContact CD1-CE2 4.04Å; I1370-F1424 HydrophobicContact CD1-CG 4.38Å; L1378-F1424 HydrophobicContact CD1-CE2 3.78Å; L1378-F1424 HydrophobicContact CD1-CZ 3.75Å; I1401-F1424 HydrophobicContact CG2-CD1 3.95Å; I1401-F1424 HydrophobicContact CG2-CE1 3.93Å; I1401-F1424 WeakPolarHBondContact O-CE1 3.48Å; A1404-F1424 HydrophobicContact CB-CE1 4.12Å; A1404-F1424 HydrophobicContact CB-CZ 4.13Å; H1405-F1424 VanDerWaalsContact CA-CE1 3.48Å; H1405-F1424 HydrophobicContact CB-CD1 3.62Å; H1405-F1424 HydrophobicContact CB-CE1 3.62Å; H1405-F1424 HydrophobicContact CB-CG 4.12Å; H1405-F1424 HydrophobicContact CB-CZ 4.12Å; H1405-F1424 AromaticContact CD2-CD2 3.93Å; H1405-F1424 AromaticContact CD2-CG 3.62Å; Y1408-F1424 AromaticContact CD1-CD2 3.8Å; Y1408-F1424 HydrophobicContact CD1-CD2 3.8Å; Y1408-F1424 AromaticContact CD1-CE2 3.7Å; Y1408-F1424 HydrophobicContact CD1-CE2 3.7Å; Y1408-F1424 HydrophobicContact CD2-CE2 4.38Å; Y1408-F1424 HydrophobicContact CE1-CD2 4.34Å; Y1408-F1424 HydrophobicContact CG-CD2 4.2Å; Y1408-F1424 AromaticContact CG-CE2 3.61Å; Y1408-F1424 HydrophobicContact CG-CE2 3.61Å; S1420-F1424 PolarHBondContact O-N 2.98Å; R1422-F1424 VanDerWaalsContact C-N 3.32Å; F1424-S1426 PolarHBondContact O-N 2.83Å; F1424-A1427 PolarHBondContact O-N 2.91Å; F1424-I1428 HydrophobicContact CD1-CG1 4.08Å; F1424-I1428 HydrophobicContact CE1-CD1 4.35Å; F1424-I1428 HydrophobicContact CE1-CG1 3.73Å; F1424-I1428 HydrophobicContact CZ-CD1 4.3Å; F1424-I1428 HydrophobicContact CZ-CG1 4.1Å; F1424-I1428 WeakPolarHBondContact O-CG1 3.46Å; F1424-I1428 PolarHBondContact O-N 2.84Å |
| 1425 | M | 90.6 | Very high | 81 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 174 | -113.9 | -179.1 | -103.3 | 0 | 0 | 111.5 | I1401 L1421 R1422 A1427 I1428 F1429 V1442 M1446 W1449 | I1401-M1425 HydrophobicContact CB-CG 4.4Å; I1401-M1425 HydrophobicContact CD1-CG 4.29Å; I1401-M1425 HydrophobicContact CG2-CG 3.6Å; L1421-M1425 HydrophobicContact CD1-CE 4.02Å; L1421-M1425 HydrophobicContact CD2-CE 4.1Å; L1421-M1425 HydrophobicContact CG-CE 3.83Å; L1421-M1425 WeakPolarHBondContact O-CB 3.31Å; L1421-M1425 PolarHBondContact O-N 2.92Å; R1422-M1425 PolarHBondContact O-N 3.31Å; M1425-A1427 VanDerWaalsContact C-N 3.32Å; M1425-A1427 PolarHBondContact O-N 3.5Å; M1425-I1428 PolarHBondContact O-N 3.29Å; M1425-F1429 HydrophobicContact CG-CD2 4.42Å; M1425-F1429 HydrophobicContact CG-CE2 4.03Å; M1425-F1429 WeakPolarHBondContact O-CB 3.23Å; M1425-F1429 WeakPolarHBondContact O-CD2 3.35Å; M1425-F1429 PolarHBondContact O-N 3.06Å; M1425-V1442 HydrophobicContact CB-CG1 4.22Å; M1425-M1446 HydrophobicContact CE-CE 3.8Å; M1425-M1446 HydrophobicContact CE-CG 4.04Å; M1425-M1446 HydrophobicContact CE-SD 4.36Å; M1425-M1446 HydrophobicContact SD-CB 4.15Å; M1425-M1446 HydrophobicContact SD-CG 3.95Å; M1425-M1446 HydrophobicContact SD-SD 4.42Å; M1425-W1449 HydrophobicContact CE-CE3 3.93Å; M1425-W1449 HydrophobicContact CE-CH2 4.23Å; M1425-W1449 HydrophobicContact CE-CZ3 3.65Å |
| 1426 | S | 89.4 | Confident | 82.5 | Confident | 53 Ų | 53 | 51 Ų | 51 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 177.4 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | R1422 E1423 F1424 A1430 | R1422-S1426 PolarHBondContact O-N 3.1Å; R1422-S1426 PolarHBondContact O-OG 3.03Å; E1423-S1426 PolarHBondContact O-N 3.25Å; F1424-S1426 PolarHBondContact O-N 2.83Å; S1426-A1430 WeakPolarHBondContact O-CB 3.35Å; S1426-A1430 PolarHBondContact O-N 3.4Å; S1426-A1430 VanDerWaalsContact O-N 3.12Å |
| 1427 | A | 89 | Confident | 84 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 24% | 0.24 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1370 L1375 E1423 F1424 M1425 A1430 H1431 | I1370-A1427 HydrophobicContact CD1-CB 4.28Å; L1375-A1427 HydrophobicContact CD1-CB 4.31Å; L1375-A1427 HydrophobicContact CD2-CB 4.08Å; E1423-A1427 PolarHBondContact O-N 2.84Å; F1424-A1427 PolarHBondContact O-N 2.91Å; M1425-A1427 VanDerWaalsContact C-N 3.32Å; M1425-A1427 PolarHBondContact O-N 3.5Å; A1427-A1430 PolarHBondContact O-N 3.35Å; A1427-H1431 WeakPolarHBondContact O-CB 3.48Å; A1427-H1431 PolarHBondContact O-N 2.75Å |
| 1428 | I | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 178 | -72 | -70.9 | 0 | 0 | 0 | 111.8 | L1375 L1378 L1383 I1401 F1424 M1425 A1430 H1431 C1432 L1435 | L1375-I1428 HydrophobicContact CD2-CD1 3.73Å; L1375-I1428 HydrophobicContact CD2-CG1 4.19Å; L1378-I1428 HydrophobicContact CB-CD1 4.27Å; L1383-I1428 HydrophobicContact CD1-CG2 3.36Å; I1401-I1428 HydrophobicContact CD1-CG2 3.89Å; I1401-I1428 HydrophobicContact CG1-CG2 3.96Å; I1401-I1428 HydrophobicContact CG2-CB 4.38Å; I1401-I1428 HydrophobicContact CG2-CG1 4.38Å; I1401-I1428 HydrophobicContact CG2-CG2 4.28Å; F1424-I1428 HydrophobicContact CD1-CG1 4.08Å; F1424-I1428 HydrophobicContact CE1-CD1 4.35Å; F1424-I1428 HydrophobicContact CE1-CG1 3.73Å; F1424-I1428 HydrophobicContact CZ-CD1 4.3Å; F1424-I1428 HydrophobicContact CZ-CG1 4.1Å; F1424-I1428 WeakPolarHBondContact O-CG1 3.46Å; F1424-I1428 PolarHBondContact O-N 2.84Å; M1425-I1428 PolarHBondContact O-N 3.29Å; I1428-A1430 VanDerWaalsContact C-N 3.28Å; I1428-A1430 PolarHBondContact O-N 2.63Å; I1428-H1431 PolarHBondContact O-N 3Å; I1428-C1432 VanDerWaalsContact O-CB 3.23Å; I1428-C1432 WeakPolarHBondContact O-CB 3.29Å; I1428-C1432 PolarHBondContact O-N 3.15Å; I1428-L1435 HydrophobicContact CG2-CD1 4.2Å |
| 1429 | F | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 178.1 | -86.5 | -120.7 | 0 | 0 | 0 | 111.8 | I1401 M1425 L1435 R1436 A1439 V1442 V1445 | I1401-F1429 HydrophobicContact CD1-CD2 3.82Å; I1401-F1429 HydrophobicContact CD1-CE2 3.33Å; I1401-F1429 HydrophobicContact CD1-CZ 4.3Å; M1425-F1429 HydrophobicContact CG-CD2 4.42Å; M1425-F1429 HydrophobicContact CG-CE2 4.03Å; M1425-F1429 WeakPolarHBondContact O-CB 3.23Å; M1425-F1429 WeakPolarHBondContact O-CD2 3.35Å; M1425-F1429 PolarHBondContact O-N 3.06Å; F1429-L1435 HydrophobicContact CB-CB 4.44Å; F1429-L1435 HydrophobicContact CD1-CB 4.16Å; F1429-L1435 HydrophobicContact CD2-CD1 4.25Å; F1429-L1435 HydrophobicContact CE1-CD2 4.45Å; F1429-L1435 HydrophobicContact CE2-CD1 4.44Å; F1429-L1435 HydrophobicContact CG-CB 4.16Å; F1429-L1435 CarbonylContact O-C 3.59Å; F1429-R1436 WeakPolarHBondContact O-CA 3.45Å; F1429-R1436 PolarHBondContact O-N 2.65Å; F1429-A1439 HydrophobicContact CB-CB 4.12Å; F1429-V1442 HydrophobicContact CB-CG2 3.56Å; F1429-V1442 HydrophobicContact CD1-CG2 3.37Å; F1429-V1442 HydrophobicContact CD2-CG2 3.95Å; F1429-V1442 HydrophobicContact CE1-CG2 3.94Å; F1429-V1442 HydrophobicContact CE2-CG2 4.42Å; F1429-V1442 HydrophobicContact CG-CG2 3.36Å; F1429-V1442 HydrophobicContact CZ-CG2 4.43Å; F1429-V1445 HydrophobicContact CE1-CG1 4.39Å; F1429-V1445 HydrophobicContact CE1-CG2 4.49Å; F1429-V1445 HydrophobicContact CZ-CB 4.47Å; F1429-V1445 HydrophobicContact CZ-CG1 4.01Å |
| 1430 | A | 88.9 | Confident | 87.3 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.7 | -28.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1426 A1427 I1428 R1436 | S1426-A1430 WeakPolarHBondContact O-CB 3.35Å; S1426-A1430 PolarHBondContact O-N 3.4Å; S1426-A1430 VanDerWaalsContact O-N 3.12Å; A1427-A1430 PolarHBondContact O-N 3.35Å; I1428-A1430 VanDerWaalsContact C-N 3.28Å; I1428-A1430 PolarHBondContact O-N 2.63Å; A1430-R1436 PolarHBondContact O-NE 3.35Å |
| 1431 | H | 89.6 | Confident | 87.7 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 22% | 0.222 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -90.2 | -39.1 | -177 | -168.1 | 70.4 | 0 | 0 | 0 | 113.4 | L1375 T1376 A1427 I1428 | L1375-H1431 HydrophobicContact CB-CB 4.36Å; L1375-H1431 VanDerWaalsContact CB-CD2 3.49Å; L1375-H1431 WeakPolarHBondContact CB-CD2 3.36Å; L1375-H1431 HydrophobicContact CD1-CB 4.24Å; T1376-H1431 PolarHBondContact N-NE2 3.08Å; T1376-H1431 PolarHBondContact OG1-CE1 2.65Å; T1376-H1431 PolarHBondContact OG1-NE2 2.93Å; A1427-H1431 WeakPolarHBondContact O-CB 3.48Å; A1427-H1431 PolarHBondContact O-N 2.75Å; I1428-H1431 PolarHBondContact O-N 3Å |
| 1432 | C | 88.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -78 | 123.5 | -175.8 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | L1383 I1428 F1434 L1435 R1436 | L1383-C1432 HydrophobicContact CD1-CB 4.45Å; I1428-C1432 VanDerWaalsContact O-CB 3.23Å; I1428-C1432 WeakPolarHBondContact O-CB 3.29Å; I1428-C1432 PolarHBondContact O-N 3.15Å; C1432-F1434 PolarHBondContact O-N 3.49Å; C1432-F1434 VanDerWaalsContact SG-CD1 3.59Å; C1432-F1434 WeakPolarHBondContact SG-CE1 3.37Å; C1432-L1435 HydrophobicContact CB-CB 4.15Å; C1432-L1435 HydrophobicContact CB-CD1 4.05Å; C1432-L1435 HydrophobicContact CB-CG 4.32Å; C1432-L1435 PolarHBondContact O-N 3.33Å; C1432-R1436 PolarHBondContact O-N 3.07Å |
| 1433 | P | 85.4 | Confident | 87.8 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -44.4 | -170.4 | -28.4 | 34.9 | 0 | 0 | 0 | 115.6 | R1436 | P1433-R1436 WeakPolarHBondContact O-CB 3.46Š|
| 1434 | F | 87.9 | Confident | 87.8 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -18 | -176.8 | 74.9 | -92.4 | 0 | 0 | 0 | 113.4 | L1383 K1391 V1397 C1432 | L1383-F1434 HydrophobicContact CB-CE1 4.45Å; K1391-F1434 HydrophobicContact CB-CD2 4.36Å; K1391-F1434 HydrophobicContact CB-CE2 4.12Å; K1391-F1434 HydrophobicContact CD-CE1 4.46Å; K1391-F1434 HydrophobicContact CD-CZ 4.44Å; K1391-F1434 HydrophobicContact CG-CE2 4.07Å; K1391-F1434 HydrophobicContact CG-CZ 4.09Å; V1397-F1434 HydrophobicContact CG1-CE2 4.31Å; V1397-F1434 HydrophobicContact CG1-CZ 4.2Å; V1397-F1434 HydrophobicContact CG2-CE2 4.05Å; C1432-F1434 PolarHBondContact O-N 3.49Å; C1432-F1434 VanDerWaalsContact SG-CD1 3.59Å; C1432-F1434 WeakPolarHBondContact SG-CE1 3.37Å |
| 1435 | L | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -18.3 | 175.4 | -65.9 | 176.6 | 0 | 0 | 0 | 113.3 | L1383 V1397 I1401 I1428 F1429 C1432 P1437 Y1438 A1439 | L1383-L1435 HydrophobicContact CD1-CD1 4.31Å; V1397-L1435 HydrophobicContact CB-CD2 4.3Å; V1397-L1435 HydrophobicContact CG1-CD1 3.91Å; V1397-L1435 HydrophobicContact CG1-CD2 4.02Å; V1397-L1435 HydrophobicContact CG1-CG 4.44Å; V1397-L1435 HydrophobicContact CG2-CD2 4.39Å; I1401-L1435 HydrophobicContact CD1-CD1 3.89Å; I1428-L1435 HydrophobicContact CG2-CD1 4.2Å; F1429-L1435 HydrophobicContact CB-CB 4.44Å; F1429-L1435 HydrophobicContact CD1-CB 4.16Å; F1429-L1435 HydrophobicContact CD2-CD1 4.25Å; F1429-L1435 HydrophobicContact CE1-CD2 4.45Å; F1429-L1435 HydrophobicContact CE2-CD1 4.44Å; F1429-L1435 HydrophobicContact CG-CB 4.16Å; F1429-L1435 CarbonylContact O-C 3.59Å; C1432-L1435 HydrophobicContact CB-CB 4.15Å; C1432-L1435 HydrophobicContact CB-CD1 4.05Å; C1432-L1435 HydrophobicContact CB-CG 4.32Å; C1432-L1435 PolarHBondContact O-N 3.33Å; L1435-P1437 VanDerWaalsContact C-N 3.33Å; L1435-Y1438 WeakPolarHBondContact O-CA 3.26Å; L1435-Y1438 WeakPolarHBondContact O-CB 3.46Å; L1435-Y1438 PolarHBondContact O-N 2.87Å; L1435-A1439 PolarHBondContact O-N 3.17Å |
| 1436 | R | 87.2 | Confident | 87.6 | Confident | 158 Ų | 158 | 49.8 Ų | 49.8 | 60% | 0.596 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -49.7 | -41.6 | -179.8 | -132.5 | 178.9 | -156.1 | 175.2 | 3.8 | 114.9 | F1429 A1430 C1432 P1433 Y1438 A1439 | F1429-R1436 WeakPolarHBondContact O-CA 3.45Å; F1429-R1436 PolarHBondContact O-N 2.65Å; A1430-R1436 PolarHBondContact O-NE 3.35Å; C1432-R1436 PolarHBondContact O-N 3.07Å; P1433-R1436 WeakPolarHBondContact O-CB 3.46Å; R1436-Y1438 PolarHBondContact O-N 3.49Å; R1436-A1439 VanDerWaalsContact O-CB 3.27Å; R1436-A1439 WeakPolarHBondContact O-CB 3.29Å; R1436-A1439 PolarHBondContact O-N 2.86Å; R1436-A1439 VanDerWaalsContact O-N 3.14Å |
| 1437 | P | 85.1 | Confident | 87.5 | Confident | 91 Ų | 91 | 49 Ų | 49 | 59% | 0.591 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.7 | -28.3 | 175.2 | -24.7 | 35.7 | 0 | 0 | 0 | 113.7 | L1435 | L1435-P1437 VanDerWaalsContact C-N 3.33Š|
| 1438 | Y | 86.6 | Confident | 87.5 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -91.6 | -6 | 179.8 | -54.3 | -76.9 | 0 | 0 | 0 | 113.4 | P1394 L1435 R1436 P1440 Q1441 V1442 | P1394-Y1438 HydrophobicContact CB-CD2 4.31Å; P1394-Y1438 HydrophobicContact CB-CG 4.29Å; P1394-Y1438 HydrophobicContact CG-CD1 4.09Å; P1394-Y1438 HydrophobicContact CG-CE1 4.05Å; P1394-Y1438 HydrophobicContact CG-CG 4.35Å; L1435-Y1438 WeakPolarHBondContact O-CA 3.26Å; L1435-Y1438 WeakPolarHBondContact O-CB 3.46Å; L1435-Y1438 PolarHBondContact O-N 2.87Å; R1436-Y1438 PolarHBondContact O-N 3.49Å; Y1438-P1440 VanDerWaalsContact C-N 3.32Å; Y1438-Q1441 CarbonylContact O-C 3.49Å; Y1438-Q1441 WeakPolarHBondContact O-CA 3.13Å; Y1438-Q1441 PolarHBondContact O-N 3.27Å; Y1438-V1442 PolarHBondContact O-N 3.21Å |
| 1439 | A | 83.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 26% | 0.256 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -52.4 | -39 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1429 L1435 R1436 Q1441 V1442 | F1429-A1439 HydrophobicContact CB-CB 4.12Å; L1435-A1439 PolarHBondContact O-N 3.17Å; R1436-A1439 VanDerWaalsContact O-CB 3.27Å; R1436-A1439 WeakPolarHBondContact O-CB 3.29Å; R1436-A1439 PolarHBondContact O-N 2.86Å; R1436-A1439 VanDerWaalsContact O-N 3.14Å; A1439-Q1441 PolarHBondContact O-N 3.04Å; A1439-V1442 VanDerWaalsContact O-CG2 3.29Å; A1439-V1442 WeakPolarHBondContact O-CG2 3.48Å; A1439-V1442 PolarHBondContact O-N 3.22Å |
| 1440 | P | 83.9 | Confident | 87.2 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 77% | 0.773 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -65.7 | -24.7 | 174.9 | -19.3 | 32.4 | 0 | 0 | 0 | 113.5 | Y1438 | Y1438-P1440 VanDerWaalsContact C-N 3.32Š|
| 1441 | Q | 86 | Confident | 86.8 | Confident | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -103.1 | 11 | -174.1 | -59.5 | 178.4 | 15.3 | 0 | 0 | 113 | Y1438 A1439 T1443 D1444 V1445 | Y1438-Q1441 CarbonylContact O-C 3.49Å; Y1438-Q1441 WeakPolarHBondContact O-CA 3.13Å; Y1438-Q1441 PolarHBondContact O-N 3.27Å; A1439-Q1441 PolarHBondContact O-N 3.04Å; Q1441-T1443 PolarHBondContact O-N 3Å; Q1441-T1443 VanDerWaalsContact O-N 3.09Å; Q1441-D1444 PolarHBondContact O-N 3.1Å; Q1441-V1445 PolarHBondContact O-N 3.11Å |
| 1442 | V | 87.6 | Confident | 86.5 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -50 | -41 | -176.6 | 161.7 | 0 | 0 | 0 | 0 | 112.7 | M1425 F1429 Y1438 A1439 D1444 V1445 M1446 | M1425-V1442 HydrophobicContact CB-CG1 4.22Å; F1429-V1442 HydrophobicContact CB-CG2 3.56Å; F1429-V1442 HydrophobicContact CD1-CG2 3.37Å; F1429-V1442 HydrophobicContact CD2-CG2 3.95Å; F1429-V1442 HydrophobicContact CE1-CG2 3.94Å; F1429-V1442 HydrophobicContact CE2-CG2 4.42Å; F1429-V1442 HydrophobicContact CG-CG2 3.36Å; F1429-V1442 HydrophobicContact CZ-CG2 4.43Å; Y1438-V1442 PolarHBondContact O-N 3.21Å; A1439-V1442 VanDerWaalsContact O-CG2 3.29Å; A1439-V1442 WeakPolarHBondContact O-CG2 3.48Å; A1439-V1442 PolarHBondContact O-N 3.22Å; V1442-D1444 VanDerWaalsContact C-N 3.33Å; V1442-D1444 PolarHBondContact O-N 3.43Å; V1442-V1445 PolarHBondContact O-N 3.34Å; V1442-M1446 WeakPolarHBondContact O-CB 3.31Å; V1442-M1446 PolarHBondContact O-N 3.16Å |
| 1443 | T | 85.2 | Confident | 86.2 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | -180 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | R1422 Q1441 G1447 | R1422-T1443 PolarHBondContact NH2-OG1 2.8Å; Q1441-T1443 PolarHBondContact O-N 3Å; Q1441-T1443 VanDerWaalsContact O-N 3.09Å; T1443-G1447 PolarHBondContact O-N 3.32Å |
| 1444 | D | 85.8 | Confident | 85.8 | Confident | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.7 | -38.7 | -178.9 | -64.4 | -19.6 | 0 | 0 | 0 | 111.1 | Q1441 V1442 G1447 R1448 | Q1441-D1444 PolarHBondContact O-N 3.1Å; V1442-D1444 VanDerWaalsContact C-N 3.33Å; V1442-D1444 PolarHBondContact O-N 3.43Å; D1444-G1447 PolarHBondContact O-N 3.48Å; D1444-R1448 PolarHBondContact O-N 3.18Å |
| 1445 | V | 88 | Confident | 85.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | P1394 V1395 F1429 Q1441 V1442 G1447 R1448 W1449 | P1394-V1445 HydrophobicContact CB-CG1 3.97Å; P1394-V1445 HydrophobicContact CB-CG2 4.45Å; P1394-V1445 HydrophobicContact CG-CG1 4.37Å; P1394-V1445 HydrophobicContact CG-CG2 4.35Å; V1395-V1445 HydrophobicContact CG2-CG1 4.29Å; F1429-V1445 HydrophobicContact CE1-CG1 4.39Å; F1429-V1445 HydrophobicContact CE1-CG2 4.49Å; F1429-V1445 HydrophobicContact CZ-CB 4.47Å; F1429-V1445 HydrophobicContact CZ-CG1 4.01Å; Q1441-V1445 PolarHBondContact O-N 3.11Å; V1442-V1445 PolarHBondContact O-N 3.34Å; V1445-G1447 VanDerWaalsContact C-N 3.3Å; V1445-G1447 PolarHBondContact O-N 2.98Å; V1445-R1448 PolarHBondContact O-N 3.04Å; V1445-W1449 WeakPolarHBondContact O-CB 3.36Å; V1445-W1449 PolarHBondContact O-N 2.97Å |
| 1446 | M | 88.2 | Confident | 85.2 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -37 | 176.9 | -168.3 | -175.7 | -163.8 | 0 | 0 | 111.8 | L1421 R1422 M1425 V1442 W1449 R1450 | L1421-M1446 HydrophobicContact CB-CE 4.41Å; L1421-M1446 HydrophobicContact CD2-CE 4.08Å; L1421-M1446 HydrophobicContact CG-CE 4Å; R1422-M1446 HydrophobicContact CB-CE 4.17Å; R1422-M1446 HydrophobicContact CB-SD 4.02Å; R1422-M1446 HydrophobicContact CG-SD 3.95Å; M1425-M1446 HydrophobicContact CE-CE 3.8Å; M1425-M1446 HydrophobicContact CE-CG 4.04Å; M1425-M1446 HydrophobicContact CE-SD 4.36Å; M1425-M1446 HydrophobicContact SD-CB 4.15Å; M1425-M1446 HydrophobicContact SD-CG 3.95Å; M1425-M1446 HydrophobicContact SD-SD 4.42Å; V1442-M1446 WeakPolarHBondContact O-CB 3.31Å; V1442-M1446 PolarHBondContact O-N 3.16Å; M1446-W1449 HydrophobicContact CE-CZ3 4.43Å; M1446-W1449 HydrophobicContact CG-CE3 4.14Å; M1446-R1450 VanDerWaalsContact CE-NH2 3.26Å; M1446-R1450 WeakPolarHBondContact O-CG 3.36Å; M1446-R1450 PolarHBondContact O-N 3.07Å; M1446-R1450 PolarHBondContact SD-NH2 2.8Å |
| 1447 | G | 86 | Confident | 85.1 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 38% | 0.381 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1443 D1444 V1445 R1450 A1451 | T1443-G1447 PolarHBondContact O-N 3.32Å; D1444-G1447 PolarHBondContact O-N 3.48Å; V1445-G1447 VanDerWaalsContact C-N 3.3Å; V1445-G1447 PolarHBondContact O-N 2.98Å; G1447-R1450 PolarHBondContact O-N 3.29Å; G1447-A1451 PolarHBondContact O-N 2.94Å |
| 1448 | R | 89.1 | Confident | 85.3 | Confident | 129 Ų | 129 | 56.9 Ų | 56.9 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 175 | -73.4 | -172.9 | -74.9 | 163.1 | -6.5 | 112.1 | V1395 D1444 V1445 A1451 Y1452 | V1395-R1448 HydrophobicContact CG2-CB 3.77Å; D1444-R1448 PolarHBondContact O-N 3.18Å; V1445-R1448 PolarHBondContact O-N 3.04Å; R1448-A1451 PolarHBondContact O-N 3.35Å; R1448-Y1452 WeakPolarHBondContact O-CB 3.43Å; R1448-Y1452 PolarHBondContact O-N 2.89Å |
| 1449 | W | 90.7 | Very high | 85.5 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 2% | 0.023 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 175.2 | 170.6 | 68.1 | 0 | 0 | 0 | 112.5 | V1395 C1398 F1399 E1402 L1421 M1425 V1445 M1446 A1451 Y1452 K1453 | V1395-W1449 HydrophobicContact CG1-CB 4.01Å; C1398-W1449 HydrophobicContact CB-CB 3.96Å; C1398-W1449 VanDerWaalsContact CB-CD1 3.48Å; C1398-W1449 HydrophobicContact CB-CD2 3.73Å; C1398-W1449 HydrophobicContact CB-CE3 4.47Å; C1398-W1449 HydrophobicContact CB-CG 3.45Å; C1398-W1449 VanDerWaalsContact CB-CG 3.45Å; F1399-W1449 AromaticContact CD1-NE1 3.93Å; F1399-W1449 AromaticContact CD2-CD1 3.84Å; F1399-W1449 AromaticContact CD2-NE1 3.6Å; F1399-W1449 AromaticContact CE1-NE1 3.94Å; F1399-W1449 AromaticContact CE2-CD1 3.61Å; F1399-W1449 AromaticContact CE2-NE1 3.6Å; F1399-W1449 AromaticContact CG-NE1 3.78Å; F1399-W1449 AromaticContact CZ-NE1 3.78Å; E1402-W1449 HydrophobicContact CB-CH2 4.26Å; E1402-W1449 HydrophobicContact CB-CZ2 4.02Å; E1402-W1449 HydrophobicContact CG-CH2 4.43Å; E1402-W1449 HydrophobicContact CG-CZ2 4.41Å; L1421-W1449 HydrophobicContact CD2-CH2 3.82Å; L1421-W1449 HydrophobicContact CD2-CZ3 3.92Å; M1425-W1449 HydrophobicContact CE-CE3 3.93Å; M1425-W1449 HydrophobicContact CE-CH2 4.23Å; M1425-W1449 HydrophobicContact CE-CZ3 3.65Å; V1445-W1449 WeakPolarHBondContact O-CB 3.36Å; V1445-W1449 PolarHBondContact O-N 2.97Å; M1446-W1449 HydrophobicContact CE-CZ3 4.43Å; M1446-W1449 HydrophobicContact CG-CE3 4.14Å; W1449-A1451 VanDerWaalsContact C-N 3.34Å; W1449-A1451 PolarHBondContact O-N 3.4Å; W1449-Y1452 PolarHBondContact O-N 2.97Å; W1449-K1453 HydrophobicContact CH2-CD 4.33Å; W1449-K1453 HydrophobicContact CZ2-CD 3.75Å; W1449-K1453 WeakPolarHBondContact O-CB 3.1Å; W1449-K1453 PolarHBondContact O-N 2.96Å |
| 1450 | R | 86.4 | Confident | 86 | Confident | 138 Ų | 138 | 52.7 Ų | 52.7 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176 | -73.6 | -177.4 | -151.3 | 160.8 | 3.7 | 112.2 | M1446 G1447 K1453 S1454 | M1446-R1450 VanDerWaalsContact CE-NH2 3.26Å; M1446-R1450 WeakPolarHBondContact O-CG 3.36Å; M1446-R1450 PolarHBondContact O-N 3.07Å; M1446-R1450 PolarHBondContact SD-NH2 2.8Å; G1447-R1450 PolarHBondContact O-N 3.29Å; R1450-K1453 PolarHBondContact O-N 3.38Å; R1450-S1454 WeakPolarHBondContact O-CB 3.42Å; R1450-S1454 PolarHBondContact O-N 2.95Å; R1450-S1454 PolarHBondContact O-OG 2.9Å; R1450-S1454 VanDerWaalsContact O-OG 3.08Å |
| 1451 | A | 81.6 | Confident | 86.4 | Confident | 65 Ų | 65 | 47 Ų | 47 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1447 R1448 W1449 S1454 | G1447-A1451 PolarHBondContact O-N 2.94Å; R1448-A1451 PolarHBondContact O-N 3.35Å; W1449-A1451 VanDerWaalsContact C-N 3.34Å; W1449-A1451 PolarHBondContact O-N 3.4Å; A1451-S1454 WeakPolarHBondContact CA-OG 3.26Å; A1451-S1454 PolarHBondContact O-OG 3.4Å |
| 1452 | Y | 83 | Confident | 86.8 | Confident | 126 Ų | 126 | 42.5 Ų | 42.5 | 49% | 0.494 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65 | -50.3 | 172.9 | 178.3 | -95 | 0 | 0 | 0 | 110.9 | F1399 R1448 W1449 S1454 G1455 V1456 | F1399-Y1452 AromaticContact CE2-CD1 3.69Å; F1399-Y1452 HydrophobicContact CE2-CD1 3.69Å; F1399-Y1452 AromaticContact CE2-CE1 3.71Å; F1399-Y1452 HydrophobicContact CE2-CE1 3.71Å; F1399-Y1452 AromaticContact CZ-CD1 3.63Å; F1399-Y1452 HydrophobicContact CZ-CD1 3.63Å; F1399-Y1452 AromaticContact CZ-CE1 3.65Å; F1399-Y1452 HydrophobicContact CZ-CE1 3.65Å; R1448-Y1452 WeakPolarHBondContact O-CB 3.43Å; R1448-Y1452 PolarHBondContact O-N 2.89Å; W1449-Y1452 PolarHBondContact O-N 2.97Å; Y1452-S1454 VanDerWaalsContact C-N 3.26Å; Y1452-S1454 PolarHBondContact O-N 3.08Å; Y1452-G1455 PolarHBondContact O-N 3.38Å; Y1452-V1456 HydrophobicContact CE1-CG2 4.29Å; Y1452-V1456 PolarHBondContact O-N 3.23Å |
| 1453 | K | 83.1 | Confident | 87.1 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -33.5 | -179.7 | -157.8 | -165.6 | 176.8 | 179.1 | 0 | 111.8 | F1399 E1402 W1449 R1450 G1455 V1456 K1489 | F1399-K1453 HydrophobicContact CE1-CD 4.47Å; F1399-K1453 HydrophobicContact CE1-CG 3.88Å; F1399-K1453 HydrophobicContact CZ-CB 4.32Å; F1399-K1453 HydrophobicContact CZ-CG 4.14Å; E1402-K1453 IonicContact OE1-NZ 3.8Å; E1402-K1453 PolarHBondContact OE1-NZ 3.47Å; E1402-K1453 WeakPolarHBondContact OE2-CE 3.14Å; E1402-K1453 IonicContact OE2-NZ 3.5Å; E1402-K1453 PolarHBondContact OE2-NZ 3.24Å; W1449-K1453 HydrophobicContact CH2-CD 4.33Å; W1449-K1453 HydrophobicContact CZ2-CD 3.75Å; W1449-K1453 WeakPolarHBondContact O-CB 3.1Å; W1449-K1453 PolarHBondContact O-N 2.96Å; R1450-K1453 PolarHBondContact O-N 3.38Å; K1453-G1455 VanDerWaalsContact C-N 3.29Å; K1453-G1455 PolarHBondContact O-N 2.95Å; K1453-V1456 PolarHBondContact O-N 2.81Å; K1453-K1489 HydrophobicContact CG-CD 4.47Å; K1453-K1489 PolarHBondContact O-NZ 3.02Å |
| 1454 | S | 75.7 | Confident | 87.5 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.1 | -21.5 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | R1450 A1451 Y1452 D1528 S1529 | R1450-S1454 WeakPolarHBondContact O-CB 3.42Å; R1450-S1454 PolarHBondContact O-N 2.95Å; R1450-S1454 PolarHBondContact O-OG 2.9Å; R1450-S1454 VanDerWaalsContact O-OG 3.08Å; A1451-S1454 WeakPolarHBondContact CA-OG 3.26Å; A1451-S1454 PolarHBondContact O-OG 3.4Å; Y1452-S1454 VanDerWaalsContact C-N 3.26Å; Y1452-S1454 PolarHBondContact O-N 3.08Å; S1454-D1528 CarbonylContact O-C 3.54Å; S1454-S1529 VanDerWaalsContact O-CB 3.3Å; S1454-S1529 WeakPolarHBondContact O-CB 3.49Å |
| 1455 | G | 79.8 | Confident | 87.8 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 44% | 0.443 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -84.3 | -16.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1452 K1453 P1457 | Y1452-G1455 PolarHBondContact O-N 3.38Å; K1453-G1455 VanDerWaalsContact C-N 3.29Å; K1453-G1455 PolarHBondContact O-N 2.95Å; G1455-P1457 WeakPolarHBondContact O-CD 3.39Å |
| 1456 | V | 85.4 | Confident | 87.6 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -64.2 | 124.3 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | Y1452 K1453 K1489 I1490 | Y1452-V1456 HydrophobicContact CE1-CG2 4.29Å; Y1452-V1456 PolarHBondContact O-N 3.23Å; K1453-V1456 PolarHBondContact O-N 2.81Å; V1456-K1489 HydrophobicContact CB-CD 4.11Å; V1456-K1489 HydrophobicContact CG1-CB 3.86Å; V1456-K1489 HydrophobicContact CG1-CD 4.17Å; V1456-K1489 HydrophobicContact CG1-CG 4.16Å; V1456-I1490 HydrophobicContact CG1-CG2 4.23Å |
| 1457 | P | 85.8 | Confident | 87.3 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | trans | -60.5 | 149.4 | 177.9 | -22.5 | 33 | 0 | 0 | 0 | 112.8 | G1455 F1459 K1489 I1490 N1530 | G1455-P1457 WeakPolarHBondContact O-CD 3.39Å; P1457-F1459 HydrophobicContact CB-CE2 3.77Å; P1457-F1459 HydrophobicContact CB-CZ 4.33Å; P1457-K1489 WeakPolarHBondContact O-CA 3.12Å; P1457-I1490 HydrophobicContact CB-CG2 4.17Å; P1457-I1490 HydrophobicContact CG-CG2 4.31Å; P1457-I1490 PolarHBondContact O-N 3.38Å; P1457-I1490 VanDerWaalsContact O-N 3.15Å; P1457-N1530 WeakPolarHBondContact CA-O 3.43Å | ||
| 1458 | L | 89.6 | Confident | 87.2 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.3 | 177.4 | -66.6 | 150 | 0 | 0 | 0 | 109.4 | G1488 K1489 S1529 N1530 L1531 G1532 | L1458-G1488 CarbonylContact C-O 3.55Å; L1458-G1488 WeakPolarHBondContact CA-O 3.44Å; L1458-K1489 HydrophobicContact CD2-CD 4.49Å; L1458-K1489 HydrophobicContact CD2-CG 3.51Å; L1458-K1489 HydrophobicContact CG-CG 4.24Å; L1458-S1529 WeakPolarHBondContact CD1-OG 3.42Å; L1458-N1530 PolarHBondContact N-O 2.88Å; L1458-L1531 HydrophobicContact CB-CD1 3.68Å; L1458-L1531 CarbonylContact O-C 3.59Å; L1458-L1531 WeakPolarHBondContact O-CA 3.41Å; L1458-G1532 PolarHBondContact O-N 2.85Å |
| 1459 | F | 91.2 | Very high | 87 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 10% | 0.096 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151 | 171.7 | -63.3 | -84.5 | 0 | 0 | 0 | 111.8 | P1457 K1487 G1488 I1490 P1496 C1499 A1500 G1532 F1534 | P1457-F1459 HydrophobicContact CB-CE2 3.77Å; P1457-F1459 HydrophobicContact CB-CZ 4.33Å; F1459-K1487 VanDerWaalsContact O-CA 3.26Å; F1459-K1487 WeakPolarHBondContact O-CA 3.3Å; F1459-K1487 WeakPolarHBondContact O-CB 3.44Å; F1459-G1488 PolarHBondContact N-O 3.45Å; F1459-G1488 PolarHBondContact O-N 2.9Å; F1459-I1490 HydrophobicContact CD2-CB 4.06Å; F1459-I1490 HydrophobicContact CD2-CD1 3.92Å; F1459-I1490 HydrophobicContact CD2-CG1 4.46Å; F1459-I1490 HydrophobicContact CE2-CB 4.27Å; F1459-I1490 HydrophobicContact CE2-CD1 3.69Å; F1459-P1496 HydrophobicContact CD1-CB 3.79Å; F1459-P1496 HydrophobicContact CD2-CB 4.23Å; F1459-P1496 HydrophobicContact CE1-CB 3.64Å; F1459-P1496 HydrophobicContact CE1-CG 4.2Å; F1459-P1496 HydrophobicContact CE2-CB 4.08Å; F1459-P1496 HydrophobicContact CE2-CG 4.19Å; F1459-P1496 HydrophobicContact CG-CB 4.08Å; F1459-P1496 HydrophobicContact CZ-CB 3.79Å; F1459-P1496 HydrophobicContact CZ-CG 3.89Å; F1459-C1499 HydrophobicContact CB-CB 4.1Å; F1459-C1499 HydrophobicContact CD2-CB 4.49Å; F1459-A1500 HydrophobicContact CB-CB 4.34Å; F1459-G1532 VanDerWaalsContact CA-O 3.26Å; F1459-G1532 WeakPolarHBondContact CA-O 3.12Å; F1459-F1534 HydrophobicContact CD1-CE2 4.33Å |
| 1460 | G | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | -164.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1486 G1532 L1533 F1534 | G1460-P1486 WeakPolarHBondContact CA-O 3.47Å; G1460-G1532 PolarHBondContact N-O 3Å; G1460-G1532 VanDerWaalsContact N-O 3.13Å; G1460-L1533 CarbonylContact O-C 3.59Å; G1460-L1533 WeakPolarHBondContact O-CA 3.35Å; G1460-F1534 WeakPolarHBondContact O-CD2 3.44Å; G1460-F1534 PolarHBondContact O-N 2.81Å |
| 1461 | A | 93.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1463 P1486 V1504 I1512 F1534 I1536 | A1461-L1463 HydrophobicContact CB-CD2 4.49Å; A1461-P1486 PolarHBondContact N-O 3.25Å; A1461-P1486 VanDerWaalsContact N-O 3.1Å; A1461-P1486 WeakPolarHBondContact O-CD 3.39Å; A1461-V1504 HydrophobicContact CB-CG2 3.61Å; A1461-I1512 HydrophobicContact CB-CD1 3.72Å; A1461-F1534 CarbonylContact C-O 3.54Å; A1461-F1534 VanDerWaalsContact CA-O 3.23Å; A1461-F1534 WeakPolarHBondContact CA-O 3.36Å; A1461-I1536 HydrophobicContact CB-CG1 4.03Å |
| 1462 | I | 94.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 104.7 | 167.1 | -60.3 | 165.3 | 0 | 0 | 0 | 106.6 | V1464 V1471 F1485 F1521 L1533 F1534 L1535 I1536 F1589 I1593 | I1462-V1464 HydrophobicContact CG2-CG2 4.13Å; I1462-V1471 HydrophobicContact CG2-CG2 3.66Å; I1462-F1485 HydrophobicContact CB-CD1 4.31Å; I1462-F1485 HydrophobicContact CB-CE1 4.27Å; I1462-F1485 HydrophobicContact CG1-CD1 3.88Å; I1462-F1485 HydrophobicContact CG1-CD2 4.21Å; I1462-F1485 HydrophobicContact CG1-CE1 3.9Å; I1462-F1485 HydrophobicContact CG1-CE2 4.21Å; I1462-F1485 HydrophobicContact CG1-CG 4.04Å; I1462-F1485 HydrophobicContact CG1-CZ 4.06Å; I1462-F1485 HydrophobicContact CG2-CD1 4.33Å; I1462-F1485 HydrophobicContact CG2-CE1 3.84Å; I1462-F1485 HydrophobicContact CG2-CZ 4.33Å; I1462-F1521 HydrophobicContact CD1-CD1 3.98Å; I1462-F1521 HydrophobicContact CD1-CE1 4.26Å; I1462-L1533 HydrophobicContact CD1-CB 4.04Å; I1462-L1533 HydrophobicContact CD1-CD1 4.06Å; I1462-L1533 HydrophobicContact CG1-CB 4.02Å; I1462-L1533 HydrophobicContact CG1-CD1 3.92Å; I1462-F1534 PolarHBondContact N-O 2.93Å; I1462-L1535 HydrophobicContact CB-CD1 3.82Å; I1462-L1535 HydrophobicContact CG2-CD1 3.6Å; I1462-I1536 PolarHBondContact O-N 3.08Å; I1462-F1589 HydrophobicContact CD1-CB 4.47Å; I1462-I1593 HydrophobicContact CD1-CD1 4.14Å; I1462-I1593 HydrophobicContact CD1-CG1 4.34Å; I1462-I1593 HydrophobicContact CG2-CD1 3.83Å; I1462-I1593 HydrophobicContact CG2-CG1 4.24Å |
| 1463 | L | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.3 | -178.8 | -62 | 167 | 0 | 0 | 0 | 109.8 | A1461 V1471 L1472 P1486 V1504 V1508 Y1510 I1512 I1536 V1539 | A1461-L1463 HydrophobicContact CB-CD2 4.49Å; L1463-V1471 WeakPolarHBondContact O-CA 3.17Å; L1463-V1471 VanDerWaalsContact O-CG2 3.29Å; L1463-V1471 WeakPolarHBondContact O-CG2 3.27Å; L1463-L1472 HydrophobicContact CB-CB 3.95Å; L1463-L1472 HydrophobicContact CD1-CB 4.24Å; L1463-L1472 HydrophobicContact CD1-CD2 3.65Å; L1463-L1472 PolarHBondContact O-N 3.3Å; L1463-P1486 HydrophobicContact CD1-CG 4.31Å; L1463-V1504 HydrophobicContact CD1-CG1 4.06Å; L1463-V1504 HydrophobicContact CD2-CG1 4.38Å; L1463-V1508 HydrophobicContact CD1-CG2 4.13Å; L1463-Y1510 HydrophobicContact CD2-CD1 4.17Å; L1463-Y1510 HydrophobicContact CD2-CE1 4.48Å; L1463-I1512 HydrophobicContact CD2-CG2 3.76Å; L1463-I1536 HydrophobicContact CD2-CB 4.04Å; L1463-I1536 HydrophobicContact CD2-CG1 4.42Å; L1463-I1536 HydrophobicContact CD2-CG2 4.2Å; L1463-V1539 HydrophobicContact CB-CG2 4.17Å; L1463-V1539 HydrophobicContact CD2-CG2 3.91Å |
| 1464 | V | 92.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.1 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 110 | I1462 L1468 E1470 V1471 L1535 I1536 G1538 V1539 I1561 T1597 | I1462-V1464 HydrophobicContact CG2-CG2 4.13Å; V1464-L1468 HydrophobicContact CG1-CB 4.39Å; V1464-L1468 HydrophobicContact CG1-CD2 3.75Å; V1464-E1470 WeakPolarHBondContact CA-O 3.44Å; V1464-V1471 HydrophobicContact CG2-CG2 4.38Å; V1464-L1535 HydrophobicContact CG2-CD1 3.77Å; V1464-I1536 PolarHBondContact N-O 3.28Å; V1464-G1538 PolarHBondContact O-N 3.35Å; V1464-V1539 WeakPolarHBondContact O-CB 3.25Å; V1464-V1539 PolarHBondContact O-N 3.28Å; V1464-I1561 HydrophobicContact CG1-CD1 4.08Å; V1464-T1597 HydrophobicContact CG1-CG2 4.48Å |
| 1465 | N | 91.6 | Very high | 90.1 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 168.1 | -178.7 | 72.7 | -7.6 | 0 | 0 | 0 | 112.9 | S1467 L1468 S1469 E1470 V1539 A1541 W1558 | N1465-S1467 PolarHBondContact ND2-OG 3.47Å; N1465-S1467 VanDerWaalsContact ND2-OG 3.14Å; N1465-S1467 PolarHBondContact O-N 2.97Å; N1465-S1467 PolarHBondContact OD1-OG 2.92Å; N1465-L1468 PolarHBondContact O-N 2.97Å; N1465-L1468 PolarHBondContact OD1-N 3.27Å; N1465-L1468 VanDerWaalsContact OD1-N 3.08Å; N1465-S1469 PolarHBondContact ND2-OG 3.48Å; N1465-S1469 PolarHBondContact OD1-N 3.49Å; N1465-S1469 PolarHBondContact OD1-OG 3.4Å; N1465-E1470 PolarHBondContact N-O 3.29Å; N1465-E1470 VanDerWaalsContact N-O 3.1Å; N1465-E1470 PolarHBondContact ND2-OE2 3.03Å; N1465-E1470 PolarHBondContact OD1-N 2.99Å; N1465-E1470 VanDerWaalsContact OD1-N 3.13Å; N1465-V1539 WeakPolarHBondContact CA-O 3.48Å; N1465-A1541 HydrophobicContact CB-CB 4.49Å; N1465-W1558 HydrophobicContact CB-CE3 4.3Å; N1465-W1558 HydrophobicContact CB-CH2 3.97Å; N1465-W1558 HydrophobicContact CB-CZ3 3.82Å |
| 1466 | E | 85.2 | Confident | 90.3 | Very high | 130 Ų | 130 | 23.2 Ų | 23.2 | 61% | 0.607 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -35.6 | 179.5 | -65.9 | 173.7 | 175 | 0 | 0 | 114.5 | L1468 V1539 E1540 | E1466-L1468 VanDerWaalsContact C-N 3.3Å; E1466-L1468 PolarHBondContact O-N 2.98Å; E1466-V1539 PolarHBondContact N-O 3.25Å; E1466-E1540 WeakPolarHBondContact OE1-CG 3.27Å |
| 1467 | S | 80.9 | Confident | 89.8 | Confident | 69 Ų | 69 | 26.3 Ų | 26.3 | 48% | 0.483 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.3 | -179 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | N1465 S1469 Q1601 | N1465-S1467 PolarHBondContact ND2-OG 3.47Å; N1465-S1467 VanDerWaalsContact ND2-OG 3.14Å; N1465-S1467 PolarHBondContact O-N 2.97Å; N1465-S1467 PolarHBondContact OD1-OG 2.92Å; S1467-S1469 PolarHBondContact O-N 2.93Å; S1467-S1469 PolarHBondContact OG-OG 3.35Å; S1467-Q1601 PolarHBondContact O-NE2 3.29Å |
| 1468 | L | 85 | Confident | 89.1 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 9% | 0.094 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 57 | 31.7 | -174.9 | -54.1 | 174.4 | 0 | 0 | 0 | 113.7 | V1464 N1465 E1466 R1537 T1597 V1600 Q1601 | V1464-L1468 HydrophobicContact CG1-CB 4.39Å; V1464-L1468 HydrophobicContact CG1-CD2 3.75Å; N1465-L1468 PolarHBondContact O-N 2.97Å; N1465-L1468 PolarHBondContact OD1-N 3.27Å; N1465-L1468 VanDerWaalsContact OD1-N 3.08Å; E1466-L1468 VanDerWaalsContact C-N 3.3Å; E1466-L1468 PolarHBondContact O-N 2.98Å; L1468-R1537 HydrophobicContact CD2-CB 4.21Å; L1468-T1597 HydrophobicContact CB-CG2 4.12Å; L1468-V1600 HydrophobicContact CD1-CB 4.18Å; L1468-V1600 HydrophobicContact CD1-CG1 3.39Å; L1468-Q1601 HydrophobicContact CD1-CG 4.31Å |
| 1469 | S | 85.5 | Confident | 88.1 | Confident | 51 Ų | 51 | 30.6 Ų | 30.6 | 36% | 0.357 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -109.1 | -26.3 | -175.8 | 61 | 0 | 0 | 0 | 0 | 113.7 | N1465 S1467 I1561 | N1465-S1469 PolarHBondContact ND2-OG 3.48Å; N1465-S1469 PolarHBondContact OD1-N 3.49Å; N1465-S1469 PolarHBondContact OD1-OG 3.4Å; S1467-S1469 PolarHBondContact O-N 2.93Å; S1467-S1469 PolarHBondContact OG-OG 3.35Å; S1469-I1561 PolarHBondContact O-N 3.2Å |
| 1470 | E | 92.8 | Very high | 87 | Confident | 60 Ų | 60 | 35.8 Ų | 35.8 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.2 | -174.5 | -57.3 | 179.1 | 125 | 0 | 0 | 111.6 | V1464 N1465 W1558 F1559 | V1464-E1470 WeakPolarHBondContact CA-O 3.44Å; N1465-E1470 PolarHBondContact N-O 3.29Å; N1465-E1470 VanDerWaalsContact N-O 3.1Å; N1465-E1470 PolarHBondContact ND2-OE2 3.03Å; N1465-E1470 PolarHBondContact OD1-N 2.99Å; N1465-E1470 VanDerWaalsContact OD1-N 3.13Å; E1470-W1558 HydrophobicContact CB-CB 4.34Å; E1470-W1558 HydrophobicContact CB-CE3 3.9Å; E1470-F1559 CarbonylContact C-O 3.41Å; E1470-F1559 VanDerWaalsContact CA-O 3.26Å; E1470-F1559 WeakPolarHBondContact CA-O 3.26Å |
| 1471 | V | 94.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.5 | 177.5 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | I1462 L1463 V1464 F1485 W1558 F1559 I1561 L1564 | I1462-V1471 HydrophobicContact CG2-CG2 3.66Å; L1463-V1471 WeakPolarHBondContact O-CA 3.17Å; L1463-V1471 VanDerWaalsContact O-CG2 3.29Å; L1463-V1471 WeakPolarHBondContact O-CG2 3.27Å; V1464-V1471 HydrophobicContact CG2-CG2 4.38Å; V1471-F1485 HydrophobicContact CG2-CD1 4.45Å; V1471-F1485 HydrophobicContact CG2-CE1 3.67Å; V1471-W1558 VanDerWaalsContact C-CE3 3.41Å; V1471-F1559 PolarHBondContact N-O 3.29Å; V1471-F1559 PolarHBondContact O-N 2.78Å; V1471-I1561 HydrophobicContact CB-CG1 4.21Å; V1471-I1561 HydrophobicContact CG1-CG1 4.41Å; V1471-L1564 HydrophobicContact CG1-CD1 3.43Å; V1471-L1564 VanDerWaalsContact CG1-CD1 3.43Å |
| 1472 | L | 95.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 128.6 | -179.3 | -160.6 | 75.9 | 0 | 0 | 0 | 110.8 | L1463 V1508 F1545 I1556 W1558 | L1463-L1472 HydrophobicContact CB-CB 3.95Å; L1463-L1472 HydrophobicContact CD1-CB 4.24Å; L1463-L1472 HydrophobicContact CD1-CD2 3.65Å; L1463-L1472 PolarHBondContact O-N 3.3Å; L1472-V1508 HydrophobicContact CD2-CB 4.37Å; L1472-V1508 HydrophobicContact CD2-CG1 4.13Å; L1472-V1508 HydrophobicContact CD2-CG2 4.46Å; L1472-F1545 HydrophobicContact CD1-CD2 4.28Å; L1472-F1545 HydrophobicContact CD1-CE2 4.43Å; L1472-F1545 HydrophobicContact CD2-CD1 3.63Å; L1472-F1545 HydrophobicContact CD2-CD2 4.31Å; L1472-F1545 HydrophobicContact CD2-CE1 3.75Å; L1472-F1545 HydrophobicContact CD2-CE2 4.44Å; L1472-F1545 HydrophobicContact CD2-CG 3.93Å; L1472-F1545 HydrophobicContact CD2-CZ 4.18Å; L1472-I1556 HydrophobicContact CD1-CG2 3.81Å; L1472-I1556 HydrophobicContact CD2-CG2 3.84Å; L1472-I1556 HydrophobicContact CG-CG2 3.82Å; L1472-W1558 HydrophobicContact CB-CD2 4.31Å; L1472-W1558 HydrophobicContact CB-CE3 4.03Å; L1472-W1558 HydrophobicContact CB-CH2 4.06Å; L1472-W1558 HydrophobicContact CB-CZ2 4.36Å; L1472-W1558 HydrophobicContact CB-CZ3 3.89Å; L1472-W1558 HydrophobicContact CD1-CD2 3.59Å; L1472-W1558 VanDerWaalsContact CD1-CE2 3.47Å; L1472-W1558 HydrophobicContact CD1-CE3 4.18Å; L1472-W1558 HydrophobicContact CD1-CG 3.83Å; L1472-W1558 HydrophobicContact CD1-CH2 4.46Å; L1472-W1558 HydrophobicContact CD1-CZ2 3.94Å |
| 1473 | L | 96.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.6 | 175.3 | -61 | 178.7 | 0 | 0 | 0 | 111.1 | W1483 G1484 F1485 K1557 F1559 L1564 F1583 V1586 | L1473-W1483 HydrophobicContact CB-CE3 3.97Å; L1473-W1483 HydrophobicContact CD1-CB 4.47Å; L1473-G1484 WeakPolarHBondContact CA-O 3.45Å; L1473-F1485 HydrophobicContact CD2-CD1 3.53Å; L1473-F1485 HydrophobicContact CD2-CE1 3.46Å; L1473-F1485 VanDerWaalsContact CD2-CE1 3.46Å; L1473-F1485 HydrophobicContact CD2-CG 4.18Å; L1473-F1485 HydrophobicContact CD2-CZ 4.1Å; L1473-K1557 PolarHBondContact N-O 3.1Å; L1473-K1557 PolarHBondContact O-N 2.69Å; L1473-F1559 HydrophobicContact CB-CD2 3.91Å; L1473-F1559 HydrophobicContact CB-CE2 3.99Å; L1473-F1559 HydrophobicContact CD1-CB 4.42Å; L1473-F1559 HydrophobicContact CD1-CD2 3.66Å; L1473-F1559 HydrophobicContact CD1-CE2 4.07Å; L1473-F1559 HydrophobicContact CD1-CG 4.08Å; L1473-F1559 HydrophobicContact CG-CD2 3.95Å; L1473-F1559 HydrophobicContact CG-CE2 4.45Å; L1473-L1564 HydrophobicContact CD1-CD2 3.98Å; L1473-F1583 HydrophobicContact CD1-CD1 3.92Å; L1473-F1583 HydrophobicContact CD1-CE1 3.77Å; L1473-V1586 HydrophobicContact CD1-CG2 4.12Å; L1473-V1586 HydrophobicContact CD2-CG2 3.99Å |
| 1474 | V | 94.3 | Very high | 85.5 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 149.1 | 178 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | W1483 G1484 P1486 V1508 I1553 I1556 | V1474-W1483 WeakPolarHBondContact O-CA 3.47Å; V1474-G1484 PolarHBondContact N-O 3.4Å; V1474-G1484 PolarHBondContact O-N 3.06Å; V1474-P1486 HydrophobicContact CG1-CB 4.47Å; V1474-P1486 HydrophobicContact CG1-CG 3.96Å; V1474-P1486 HydrophobicContact CG2-CG 4.5Å; V1474-V1508 HydrophobicContact CG1-CG1 3.35Å; V1474-I1553 HydrophobicContact CB-CD1 3.99Å; V1474-I1553 HydrophobicContact CB-CG2 4.12Å; V1474-I1553 HydrophobicContact CG1-CG2 4.38Å; V1474-I1553 HydrophobicContact CG2-CD1 4.04Å; V1474-I1556 HydrophobicContact CG1-CG1 4.24Å; V1474-I1556 HydrophobicContact CG1-CG2 4.39Å |
| 1475 | Q | 90.9 | Very high | 85.6 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.7 | 174.2 | 174.9 | 174.7 | 75.5 | 0 | 0 | 109.5 | K1480 W1483 I1553 R1554 R1555 | Q1475-K1480 PolarHBondContact NE2-O 2.98Å; Q1475-W1483 HydrophobicContact CB-CD2 4.08Å; Q1475-W1483 HydrophobicContact CB-CE3 3.96Å; Q1475-W1483 HydrophobicContact CB-CH2 4.07Å; Q1475-W1483 HydrophobicContact CB-CZ2 4.17Å; Q1475-W1483 HydrophobicContact CB-CZ3 3.96Å; Q1475-I1553 CarbonylContact O-C 3.58Å; Q1475-R1554 HydrophobicContact CG-CB 4.44Å; Q1475-R1554 PolarHBondContact O-N 2.62Å; Q1475-R1555 HydrophobicContact CB-CB 4.29Å; Q1475-R1555 PolarHBondContact N-O 3.3Å |
| 1476 | G | 83 | Confident | 85.6 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 147.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1479 E1552 | G1476-A1479 CarbonylContact O-C 3.48Å; G1476-E1552 CarbonylContact C-O 3.47Å; G1476-E1552 WeakPolarHBondContact CA-O 3.42Å |
| 1477 | Y | 75.9 | Confident | 86 | Confident | 86 Ų | 86 | 37.7 Ų | 37.7 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -61.6 | -53 | -175.2 | -161.6 | -94.7 | 0 | 0 | 0 | 112.7 | N1551 E1552 R1554 | Y1477-N1551 VanDerWaalsContact CB-C 3.42Å; Y1477-N1551 WeakPolarHBondContact CB-O 3.47Å; Y1477-N1551 HydrophobicContact CD1-CB 3.96Å; Y1477-N1551 HydrophobicContact CD2-CB 4.33Å; Y1477-N1551 HydrophobicContact CE1-CB 4.05Å; Y1477-N1551 HydrophobicContact CE2-CB 4.43Å; Y1477-N1551 HydrophobicContact CG-CB 4.11Å; Y1477-N1551 PolarHBondContact OH-OD1 3.44Å; Y1477-E1552 WeakPolarHBondContact CB-O 3.39Å; Y1477-E1552 PolarHBondContact N-O 3.33Å; Y1477-R1554 HydrophobicContact CD2-CB 4.3Å; Y1477-R1554 HydrophobicContact CD2-CG 4.25Å |
| 1478 | Y | 71.6 | Confident | 86.4 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 41% | 0.408 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -83.7 | -25.3 | 178.1 | -58.9 | -76.2 | 0 | 0 | 0 | 112.6 | W1406 V1409 K1480 N1551 | W1406-Y1478 HydrophobicContact CE3-CE2 4.12Å; W1406-Y1478 AromaticContact CH2-CD2 3.74Å; W1406-Y1478 HydrophobicContact CH2-CD2 3.74Å; W1406-Y1478 AromaticContact CH2-CE2 3.7Å; W1406-Y1478 HydrophobicContact CH2-CE2 3.7Å; W1406-Y1478 AromaticContact CZ3-CD2 3.77Å; W1406-Y1478 HydrophobicContact CZ3-CD2 3.77Å; W1406-Y1478 AromaticContact CZ3-CE2 3.21Å; W1406-Y1478 HydrophobicContact CZ3-CE2 3.21Å; W1406-Y1478 AromaticContact CZ3-CZ 3.75Å; V1409-Y1478 VanDerWaalsContact CG1-OH 3.28Å; V1409-Y1478 WeakPolarHBondContact CG1-OH 3.35Å; Y1478-K1480 VanDerWaalsContact C-N 3.26Å; Y1478-K1480 PolarHBondContact O-N 3.28Å; Y1478-N1551 WeakPolarHBondContact CE2-O 3.27Å |
| 1479 | A | 68 | Low | 86.6 | Confident | 54 Ų | 54 | 37 Ų | 37 | 45% | 0.446 | 20% | 0.2 | S | C | . | . | trans | -85.2 | 62.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1476 S1481 S1482 | G1476-A1479 CarbonylContact O-C 3.48Å; A1479-S1481 PolarHBondContact O-N 2.64Å; A1479-S1482 PolarHBondContact O-N 3.12Å; A1479-S1482 VanDerWaalsContact O-N 3.13Å | ||
| 1480 | K | 69 | Low | 86.7 | Confident | 132 Ų | 132 | 36.3 Ų | 36.3 | 57% | 0.574 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -16.9 | -166.6 | -64.4 | -178.4 | -179.3 | 178.2 | 0 | 117.4 | Q1475 Y1478 | Q1475-K1480 PolarHBondContact NE2-O 2.98Å; Y1478-K1480 VanDerWaalsContact C-N 3.26Å; Y1478-K1480 PolarHBondContact O-N 3.28Å |
| 1481 | S | 73.1 | Confident | 86.3 | Confident | 92 Ų | 92 | 37.8 Ų | 37.8 | 64% | 0.643 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | -10.2 | -174.4 | 58.5 | 0 | 0 | 0 | 0 | 115 | A1479 G1582 | A1479-S1481 PolarHBondContact O-N 2.64Å; S1481-G1582 WeakPolarHBondContact O-CA 3.23Å |
| 1482 | S | 84.3 | Confident | 85.5 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | trans | -93.6 | 127.9 | -173.7 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | A1479 G1582 F1584 | A1479-S1482 PolarHBondContact O-N 3.12Å; A1479-S1482 VanDerWaalsContact O-N 3.13Å; S1482-G1582 WeakPolarHBondContact CA-O 3.42Å; S1482-F1584 VanDerWaalsContact OG-CE1 3.3Å; S1482-F1584 WeakPolarHBondContact OG-CE1 3.27Å | ||
| 1483 | W | 92.2 | Very high | 84.7 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.8 | 172.2 | -68.6 | 89.9 | 0 | 0 | 0 | 109.9 | L1473 V1474 Q1475 R1555 K1557 F1559 F1578 G1582 F1583 | L1473-W1483 HydrophobicContact CB-CE3 3.97Å; L1473-W1483 HydrophobicContact CD1-CB 4.47Å; V1474-W1483 WeakPolarHBondContact O-CA 3.47Å; Q1475-W1483 HydrophobicContact CB-CD2 4.08Å; Q1475-W1483 HydrophobicContact CB-CE3 3.96Å; Q1475-W1483 HydrophobicContact CB-CH2 4.07Å; Q1475-W1483 HydrophobicContact CB-CZ2 4.17Å; Q1475-W1483 HydrophobicContact CB-CZ3 3.96Å; W1483-R1555 HydrophobicContact CH2-CB 3.95Å; W1483-K1557 HydrophobicContact CH2-CB 3.94Å; W1483-K1557 HydrophobicContact CZ3-CB 3.92Å; W1483-F1559 HydrophobicContact CD2-CE2 4.12Å; W1483-F1559 HydrophobicContact CD2-CZ 4.02Å; W1483-F1559 AromaticContact CE3-CE2 3.72Å; W1483-F1559 HydrophobicContact CE3-CE2 3.72Å; W1483-F1559 HydrophobicContact CE3-CZ 4.07Å; W1483-F1559 HydrophobicContact CH2-CE2 4.3Å; W1483-F1559 HydrophobicContact CH2-CZ 4.3Å; W1483-F1559 HydrophobicContact CZ2-CZ 4.26Å; W1483-F1559 AromaticContact CZ3-CE2 3.82Å; W1483-F1559 HydrophobicContact CZ3-CE2 3.82Å; W1483-F1559 HydrophobicContact CZ3-CZ 4.22Å; W1483-F1578 HydrophobicContact CZ2-CE1 4.01Å; W1483-F1578 AromaticContact NE1-CD1 3.92Å; W1483-G1582 PolarHBondContact N-O 3.41Å; W1483-F1583 HydrophobicContact CB-CD1 3.91Å; W1483-F1583 HydrophobicContact CB-CE1 3.8Å; W1483-F1583 HydrophobicContact CB-CZ 4.34Å; W1483-F1583 AromaticContact CD1-CZ 3.94Å; W1483-F1583 HydrophobicContact CG-CE1 4.01Å; W1483-F1583 HydrophobicContact CG-CZ 4.13Å |
| 1484 | G | 92.4 | Very high | 84.4 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 174 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1473 V1474 | L1473-G1484 WeakPolarHBondContact CA-O 3.45Å; V1474-G1484 PolarHBondContact N-O 3.4Å; V1474-G1484 PolarHBondContact O-N 3.06Å |
| 1485 | F | 94.8 | Very high | 84.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | trans | -71 | 148.4 | 169.9 | -62 | -66.2 | 0 | 0 | 0 | 110.7 | I1462 V1471 L1473 K1487 L1533 V1586 F1589 I1593 | I1462-F1485 HydrophobicContact CB-CD1 4.31Å; I1462-F1485 HydrophobicContact CB-CE1 4.27Å; I1462-F1485 HydrophobicContact CG1-CD1 3.88Å; I1462-F1485 HydrophobicContact CG1-CD2 4.21Å; I1462-F1485 HydrophobicContact CG1-CE1 3.9Å; I1462-F1485 HydrophobicContact CG1-CE2 4.21Å; I1462-F1485 HydrophobicContact CG1-CG 4.04Å; I1462-F1485 HydrophobicContact CG1-CZ 4.06Å; I1462-F1485 HydrophobicContact CG2-CD1 4.33Å; I1462-F1485 HydrophobicContact CG2-CE1 3.84Å; I1462-F1485 HydrophobicContact CG2-CZ 4.33Å; V1471-F1485 HydrophobicContact CG2-CD1 4.45Å; V1471-F1485 HydrophobicContact CG2-CE1 3.67Å; L1473-F1485 HydrophobicContact CD2-CD1 3.53Å; L1473-F1485 HydrophobicContact CD2-CE1 3.46Å; L1473-F1485 VanDerWaalsContact CD2-CE1 3.46Å; L1473-F1485 HydrophobicContact CD2-CG 4.18Å; L1473-F1485 HydrophobicContact CD2-CZ 4.1Å; F1485-K1487 PolarHBondContact O-N 3.37Å; F1485-K1487 PolarHBondContact O-NZ 2.89Å; F1485-L1533 HydrophobicContact CB-CD1 4.09Å; F1485-L1533 HydrophobicContact CB-CD2 4.04Å; F1485-L1533 HydrophobicContact CD2-CD1 3.44Å; F1485-L1533 VanDerWaalsContact CD2-CD1 3.44Å; F1485-L1533 HydrophobicContact CE2-CD1 4.15Å; F1485-L1533 HydrophobicContact CG-CD1 3.95Å; F1485-V1586 HydrophobicContact CE2-CB 4.35Å; F1485-V1586 HydrophobicContact CE2-CG1 3.89Å; F1485-V1586 HydrophobicContact CE2-CG2 4.44Å; F1485-V1586 HydrophobicContact CZ-CG1 3.75Å; F1485-F1589 HydrophobicContact CD2-CD2 4.27Å; F1485-F1589 HydrophobicContact CE2-CB 3.98Å; F1485-F1589 AromaticContact CE2-CD2 3.85Å; F1485-F1589 HydrophobicContact CE2-CD2 3.85Å; F1485-F1589 HydrophobicContact CE2-CG 4.11Å; F1485-F1589 HydrophobicContact CZ-CB 4.47Å; F1485-I1593 HydrophobicContact CE1-CD1 4.37Å; F1485-I1593 HydrophobicContact CZ-CD1 3.7Å | ||
| 1486 | P | 93.2 | Very high | 84 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -58.7 | 126.4 | 172.4 | -14.7 | 22.5 | 0 | 0 | 0 | 110.6 | G1460 A1461 L1463 V1474 V1504 E1507 V1508 | G1460-P1486 WeakPolarHBondContact CA-O 3.47Å; A1461-P1486 PolarHBondContact N-O 3.25Å; A1461-P1486 VanDerWaalsContact N-O 3.1Å; A1461-P1486 WeakPolarHBondContact O-CD 3.39Å; L1463-P1486 HydrophobicContact CD1-CG 4.31Å; V1474-P1486 HydrophobicContact CG1-CB 4.47Å; V1474-P1486 HydrophobicContact CG1-CG 3.96Å; V1474-P1486 HydrophobicContact CG2-CG 4.5Å; P1486-V1504 HydrophobicContact CB-CG2 4.11Å; P1486-E1507 WeakPolarHBondContact CA-OE2 3.39Å; P1486-E1507 HydrophobicContact CB-CB 4.42Å; P1486-E1507 VanDerWaalsContact CB-OE2 3.3Å; P1486-E1507 WeakPolarHBondContact CB-OE2 3.26Å; P1486-V1508 HydrophobicContact CG-CG1 4.18Å; P1486-V1508 HydrophobicContact CG-CG2 4.45Å |
| 1487 | K | 93.1 | Very high | 84.4 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.6 | 153.1 | -174.9 | 71.6 | -157.4 | 164.3 | -55.3 | 0 | 110.8 | F1459 F1485 E1507 L1531 L1533 | F1459-K1487 VanDerWaalsContact O-CA 3.26Å; F1459-K1487 WeakPolarHBondContact O-CA 3.3Å; F1459-K1487 WeakPolarHBondContact O-CB 3.44Å; F1485-K1487 PolarHBondContact O-N 3.37Å; F1485-K1487 PolarHBondContact O-NZ 2.89Å; K1487-E1507 PolarHBondContact N-OE2 3.1Å; K1487-L1531 HydrophobicContact CB-CD1 4.18Å; K1487-L1531 HydrophobicContact CD-CD1 3.59Å; K1487-L1531 HydrophobicContact CD-CD2 3.98Å; K1487-L1531 HydrophobicContact CD-CG 4.47Å; K1487-L1531 HydrophobicContact CG-CD1 4.3Å; K1487-L1533 HydrophobicContact CB-CD2 4.45Å |
| 1488 | G | 88.9 | Confident | 85.1 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | -163.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1458 F1459 E1503 | L1458-G1488 CarbonylContact C-O 3.55Å; L1458-G1488 WeakPolarHBondContact CA-O 3.44Å; F1459-G1488 PolarHBondContact N-O 3.45Å; F1459-G1488 PolarHBondContact O-N 2.9Å; G1488-E1503 VanDerWaalsContact CA-OE1 3.26Å; G1488-E1503 WeakPolarHBondContact CA-OE1 3.39Å; G1488-E1503 VanDerWaalsContact CA-OE2 3.27Å; G1488-E1503 WeakPolarHBondContact CA-OE2 3.41Å; G1488-E1503 VanDerWaalsContact N-CD 3.33Å; G1488-E1503 VanDerWaalsContact N-CG 3.34Å; G1488-E1503 PolarHBondContact N-OE2 2.89Å |
| 1489 | K | 88.8 | Confident | 86 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 27% | 0.265 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 141.7 | -165.3 | -71.3 | -177.2 | 180 | -167.3 | 0 | 110 | K1453 V1456 P1457 L1458 N1491 R1502 E1503 | K1453-K1489 HydrophobicContact CG-CD 4.47Å; K1453-K1489 PolarHBondContact O-NZ 3.02Å; V1456-K1489 HydrophobicContact CB-CD 4.11Å; V1456-K1489 HydrophobicContact CG1-CB 3.86Å; V1456-K1489 HydrophobicContact CG1-CD 4.17Å; V1456-K1489 HydrophobicContact CG1-CG 4.16Å; P1457-K1489 WeakPolarHBondContact O-CA 3.12Å; L1458-K1489 HydrophobicContact CD2-CD 4.49Å; L1458-K1489 HydrophobicContact CD2-CG 3.51Å; L1458-K1489 HydrophobicContact CG-CG 4.24Å; K1489-N1491 PolarHBondContact O-N 3.35Å; K1489-R1502 PolarHBondContact O-NH2 2.92Å; K1489-E1503 PolarHBondContact N-OE1 3.24Å |
| 1490 | I | 88.8 | Confident | 87.2 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.195 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 130 | 174.7 | -163.3 | 162.6 | 0 | 0 | 0 | 110 | V1456 P1457 F1459 E1494 P1496 C1499 | V1456-I1490 HydrophobicContact CG1-CG2 4.23Å; P1457-I1490 HydrophobicContact CB-CG2 4.17Å; P1457-I1490 HydrophobicContact CG-CG2 4.31Å; P1457-I1490 PolarHBondContact O-N 3.38Å; P1457-I1490 VanDerWaalsContact O-N 3.15Å; F1459-I1490 HydrophobicContact CD2-CB 4.06Å; F1459-I1490 HydrophobicContact CD2-CD1 3.92Å; F1459-I1490 HydrophobicContact CD2-CG1 4.46Å; F1459-I1490 HydrophobicContact CE2-CB 4.27Å; F1459-I1490 HydrophobicContact CE2-CD1 3.69Å; I1490-E1494 VanDerWaalsContact CD1-O 3.25Å; I1490-E1494 WeakPolarHBondContact CD1-O 3.47Å; I1490-E1494 HydrophobicContact CG1-CB 4.1Å; I1490-E1494 WeakPolarHBondContact CG1-O 3.41Å; I1490-P1496 HydrophobicContact CD1-CG 4.29Å; I1490-C1499 VanDerWaalsContact CA-SG 3.57Å; I1490-C1499 HydrophobicContact CB-CB 4.38Å; I1490-C1499 HydrophobicContact CG1-CB 4.1Å |
| 1491 | N | 84.2 | Confident | 88.3 | Confident | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -80 | 164.5 | 172.3 | -71.3 | -36.1 | 0 | 0 | 0 | 110.7 | K1489 N1493 E1494 R1502 | K1489-N1491 PolarHBondContact O-N 3.35Å; N1491-N1493 PolarHBondContact O-N 3.33Å; N1491-E1494 HydrophobicContact CB-CB 4.09Å; N1491-E1494 WeakPolarHBondContact CB-OE2 3.32Å; N1491-E1494 PolarHBondContact N-OE2 3.43Å; N1491-E1494 WeakPolarHBondContact O-CB 3.48Å; N1491-E1494 PolarHBondContact O-N 2.99Å; N1491-R1502 PolarHBondContact ND2-NH2 2.86Å |
| 1492 | E | 78 | Confident | 89.3 | Confident | 132 Ų | 132 | 44.1 Ų | 44.1 | 62% | 0.617 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 130.8 | 177.8 | -168.9 | 170.2 | -177.6 | 0 | 0 | 110.8 | R1396 E1494 | R1396-E1492 IonicContact CZ-OE2 3.56Å; R1396-E1492 IonicContact NH1-OE2 3.92Å; R1396-E1492 IonicContact NH2-OE2 3.77Å; R1396-E1492 PolarHBondContact NH2-OE2 3.17Å; E1492-E1494 PolarHBondContact O-N 2.89Å |
| 1493 | N | 79 | Confident | 89.8 | Confident | 160 Ų | 160 | 43.3 Ų | 43.3 | 86% | 0.856 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 11.9 | -173.7 | -49.8 | -50 | 0 | 0 | 0 | 115.9 | N1491 | N1491-N1493 PolarHBondContact O-N 3.33Š|
| 1494 | E | 89.5 | Confident | 89.9 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | trans | -87.3 | 138 | 172 | -172.2 | 176.3 | -137.9 | 0 | 0 | 109.8 | I1490 N1491 E1492 E1498 C1499 R1502 | I1490-E1494 VanDerWaalsContact CD1-O 3.25Å; I1490-E1494 WeakPolarHBondContact CD1-O 3.47Å; I1490-E1494 HydrophobicContact CG1-CB 4.1Å; I1490-E1494 WeakPolarHBondContact CG1-O 3.41Å; N1491-E1494 HydrophobicContact CB-CB 4.09Å; N1491-E1494 WeakPolarHBondContact CB-OE2 3.32Å; N1491-E1494 PolarHBondContact N-OE2 3.43Å; N1491-E1494 WeakPolarHBondContact O-CB 3.48Å; N1491-E1494 PolarHBondContact O-N 2.99Å; E1492-E1494 PolarHBondContact O-N 2.89Å; E1494-E1498 HydrophobicContact CG-CB 3.79Å; E1494-C1499 VanDerWaalsContact CD-CA 3.43Å; E1494-C1499 HydrophobicContact CG-CB 4.02Å; E1494-C1499 WeakPolarHBondContact OE1-CA 3.43Å; E1494-C1499 WeakPolarHBondContact OE2-CB 3.16Å; E1494-R1502 IonicContact OE1-CZ 2.77Å; E1494-R1502 IonicContact OE1-NE 2.79Å; E1494-R1502 PolarHBondContact OE1-NE 3.02Å; E1494-R1502 IonicContact OE1-NH2 2.85Å; E1494-R1502 PolarHBondContact OE1-NH2 2.92Å; E1494-R1502 IonicContact OE2-CZ 3.64Å; E1494-R1502 IonicContact OE2-NE 3.05Å; E1494-R1502 IonicContact OE2-NH2 3.22Å; E1494-R1502 PolarHBondContact OE2-NH2 3.49Å | ||
| 1495 | S | 88.8 | Confident | 89.8 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 26% | 0.259 | 24% | 0.235 | S | C | . | . | trans | -76.7 | 154.9 | 171.2 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | E1497 E1498 C1499 | S1495-E1497 PolarHBondContact O-N 3.06Å; S1495-E1498 WeakPolarHBondContact CB-OE2 3.39Å; S1495-E1498 PolarHBondContact N-OE2 3.38Å; S1495-E1498 PolarHBondContact O-N 3.42Å; S1495-E1498 WeakPolarHBondContact OG-CB 3.42Å; S1495-E1498 WeakPolarHBondContact OG-CG 3.42Å; S1495-E1498 PolarHBondContact OG-N 3.39Å; S1495-E1498 PolarHBondContact OG-OE2 3.1Å; S1495-C1499 WeakPolarHBondContact O-CB 3.39Å; S1495-C1499 PolarHBondContact O-N 3.44Å | ||
| 1496 | P | 88.4 | Confident | 89.6 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52.8 | -36.4 | 175.1 | -30.5 | 38.5 | 0 | 0 | 0 | 114.4 | F1459 I1490 A1500 F1534 | F1459-P1496 HydrophobicContact CD1-CB 3.79Å; F1459-P1496 HydrophobicContact CD2-CB 4.23Å; F1459-P1496 HydrophobicContact CE1-CB 3.64Å; F1459-P1496 HydrophobicContact CE1-CG 4.2Å; F1459-P1496 HydrophobicContact CE2-CB 4.08Å; F1459-P1496 HydrophobicContact CE2-CG 4.19Å; F1459-P1496 HydrophobicContact CG-CB 4.08Å; F1459-P1496 HydrophobicContact CZ-CB 3.79Å; F1459-P1496 HydrophobicContact CZ-CG 3.89Å; I1490-P1496 HydrophobicContact CD1-CG 4.29Å; P1496-A1500 PolarHBondContact O-N 3.3Å; P1496-A1500 VanDerWaalsContact O-N 3.1Å; P1496-F1534 HydrophobicContact CB-CZ 4.32Å |
| 1497 | E | 89.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -49.1 | 177.9 | -62 | 80.2 | -177.4 | 0 | 0 | 111.4 | S1495 C1499 A1500 V1501 I1516 F1534 | S1495-E1497 PolarHBondContact O-N 3.06Å; E1497-C1499 VanDerWaalsContact C-N 3.3Å; E1497-C1499 PolarHBondContact O-N 3.43Å; E1497-A1500 PolarHBondContact O-N 3.18Å; E1497-V1501 VanDerWaalsContact O-CG2 3.29Å; E1497-V1501 WeakPolarHBondContact O-CG2 3.45Å; E1497-V1501 PolarHBondContact O-N 3.3Å; E1497-I1516 HydrophobicContact CB-CD1 4.09Å; E1497-I1516 HydrophobicContact CG-CD1 4.49Å; E1497-F1534 HydrophobicContact CG-CE1 4.06Å; E1497-F1534 HydrophobicContact CG-CZ 3.94Å |
| 1498 | E | 90.8 | Very high | 89.6 | Confident | 109 Ų | 109 | 48 Ų | 48 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.1 | -73.4 | 162.6 | 159.5 | 0 | 0 | 111.2 | E1494 S1495 V1501 R1502 | E1494-E1498 HydrophobicContact CG-CB 3.79Å; S1495-E1498 WeakPolarHBondContact CB-OE2 3.39Å; S1495-E1498 PolarHBondContact N-OE2 3.38Å; S1495-E1498 PolarHBondContact O-N 3.42Å; S1495-E1498 WeakPolarHBondContact OG-CB 3.42Å; S1495-E1498 WeakPolarHBondContact OG-CG 3.42Å; S1495-E1498 PolarHBondContact OG-N 3.39Å; S1495-E1498 PolarHBondContact OG-OE2 3.1Å; E1498-V1501 PolarHBondContact O-N 3.3Å; E1498-R1502 WeakPolarHBondContact O-CB 3.42Å; E1498-R1502 PolarHBondContact O-N 2.82Å |
| 1499 | C | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | F1459 I1490 E1494 S1495 E1497 V1501 R1502 E1503 | F1459-C1499 HydrophobicContact CB-CB 4.1Å; F1459-C1499 HydrophobicContact CD2-CB 4.49Å; I1490-C1499 VanDerWaalsContact CA-SG 3.57Å; I1490-C1499 HydrophobicContact CB-CB 4.38Å; I1490-C1499 HydrophobicContact CG1-CB 4.1Å; E1494-C1499 VanDerWaalsContact CD-CA 3.43Å; E1494-C1499 HydrophobicContact CG-CB 4.02Å; E1494-C1499 WeakPolarHBondContact OE1-CA 3.43Å; E1494-C1499 WeakPolarHBondContact OE2-CB 3.16Å; S1495-C1499 WeakPolarHBondContact O-CB 3.39Å; S1495-C1499 PolarHBondContact O-N 3.44Å; E1497-C1499 VanDerWaalsContact C-N 3.3Å; E1497-C1499 PolarHBondContact O-N 3.43Å; C1499-V1501 VanDerWaalsContact C-N 3.32Å; C1499-V1501 PolarHBondContact O-N 3.06Å; C1499-R1502 PolarHBondContact O-N 3.1Å; C1499-E1503 WeakPolarHBondContact O-CB 3.39Å; C1499-E1503 WeakPolarHBondContact O-CG 3.41Å; C1499-E1503 PolarHBondContact O-N 2.91Å |
| 1500 | A | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1459 P1496 E1497 V1504 I1516 F1534 | F1459-A1500 HydrophobicContact CB-CB 4.34Å; P1496-A1500 PolarHBondContact O-N 3.3Å; P1496-A1500 VanDerWaalsContact O-N 3.1Å; E1497-A1500 PolarHBondContact O-N 3.18Å; A1500-V1504 WeakPolarHBondContact O-CB 3.33Å; A1500-V1504 WeakPolarHBondContact O-CG2 3.31Å; A1500-V1504 PolarHBondContact O-N 2.64Å; A1500-I1516 HydrophobicContact CB-CD1 3.96Å; A1500-F1534 HydrophobicContact CB-CD2 3.5Å; A1500-F1534 VanDerWaalsContact CB-CD2 3.5Å; A1500-F1534 HydrophobicContact CB-CE2 3.71Å |
| 1501 | V | 92.4 | Very high | 89.8 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -51.1 | 175.9 | 168 | 0 | 0 | 0 | 0 | 110.9 | E1497 E1498 C1499 L1505 I1512 S1513 I1516 | E1497-V1501 VanDerWaalsContact O-CG2 3.29Å; E1497-V1501 WeakPolarHBondContact O-CG2 3.45Å; E1497-V1501 PolarHBondContact O-N 3.3Å; E1498-V1501 PolarHBondContact O-N 3.3Å; C1499-V1501 VanDerWaalsContact C-N 3.32Å; C1499-V1501 PolarHBondContact O-N 3.06Å; V1501-L1505 WeakPolarHBondContact O-CB 3.43Å; V1501-L1505 PolarHBondContact O-N 3.31Å; V1501-I1512 HydrophobicContact CB-CG1 4.41Å; V1501-I1512 HydrophobicContact CG2-CG1 3.95Å; V1501-S1513 WeakPolarHBondContact CG1-OG 3.38Å; V1501-I1516 HydrophobicContact CG2-CD1 4.13Å; V1501-I1516 HydrophobicContact CG2-CG2 4.42Å |
| 1502 | R | 94.3 | Very high | 90.2 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 19% | 0.185 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.2 | -50.6 | -178.8 | 176.4 | 178.9 | 54.5 | 70.5 | 3.8 | 111.4 | K1489 N1491 E1494 E1498 C1499 V1504 L1505 E1506 | K1489-R1502 PolarHBondContact O-NH2 2.92Å; N1491-R1502 PolarHBondContact ND2-NH2 2.86Å; E1494-R1502 IonicContact OE1-CZ 2.77Å; E1494-R1502 IonicContact OE1-NE 2.79Å; E1494-R1502 PolarHBondContact OE1-NE 3.02Å; E1494-R1502 IonicContact OE1-NH2 2.85Å; E1494-R1502 PolarHBondContact OE1-NH2 2.92Å; E1494-R1502 IonicContact OE2-CZ 3.64Å; E1494-R1502 IonicContact OE2-NE 3.05Å; E1494-R1502 IonicContact OE2-NH2 3.22Å; E1494-R1502 PolarHBondContact OE2-NH2 3.49Å; E1498-R1502 WeakPolarHBondContact O-CB 3.42Å; E1498-R1502 PolarHBondContact O-N 2.82Å; C1499-R1502 PolarHBondContact O-N 3.1Å; R1502-V1504 VanDerWaalsContact C-N 3.34Å; R1502-V1504 PolarHBondContact O-N 2.88Å; R1502-L1505 WeakPolarHBondContact O-CB 3.43Å; R1502-L1505 PolarHBondContact O-N 2.88Å; R1502-L1505 VanDerWaalsContact O-N 3.17Å; R1502-E1506 WeakPolarHBondContact CD-OE1 3.43Å; R1502-E1506 VanDerWaalsContact CG-CD 3.45Å; R1502-E1506 HydrophobicContact CG-CG 4.25Å; R1502-E1506 WeakPolarHBondContact CG-OE1 3.08Å; R1502-E1506 IonicContact NH1-OE2 3.36Å; R1502-E1506 PolarHBondContact NH1-OE2 3.2Å; R1502-E1506 VanDerWaalsContact NH1-OE2 3.1Å; R1502-E1506 WeakPolarHBondContact O-CB 3.45Å; R1502-E1506 WeakPolarHBondContact O-CG 3.33Å; R1502-E1506 PolarHBondContact O-N 3.39Å |
| 1503 | E | 94.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | -175.8 | -66 | -72.5 | 175.9 | 0 | 0 | 112 | G1488 K1489 C1499 E1506 E1507 | G1488-E1503 VanDerWaalsContact CA-OE1 3.26Å; G1488-E1503 WeakPolarHBondContact CA-OE1 3.39Å; G1488-E1503 VanDerWaalsContact CA-OE2 3.27Å; G1488-E1503 WeakPolarHBondContact CA-OE2 3.41Å; G1488-E1503 VanDerWaalsContact N-CD 3.33Å; G1488-E1503 VanDerWaalsContact N-CG 3.34Å; G1488-E1503 PolarHBondContact N-OE2 2.89Å; K1489-E1503 PolarHBondContact N-OE1 3.24Å; C1499-E1503 WeakPolarHBondContact O-CB 3.39Å; C1499-E1503 WeakPolarHBondContact O-CG 3.41Å; C1499-E1503 PolarHBondContact O-N 2.91Å; E1503-E1506 PolarHBondContact O-N 3.07Å; E1503-E1507 WeakPolarHBondContact O-CB 3.3Å; E1503-E1507 WeakPolarHBondContact O-CG 3.32Å; E1503-E1507 PolarHBondContact O-N 2.81Å |
| 1504 | V | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.6 | -38.1 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | A1461 L1463 P1486 A1500 R1502 V1508 G1509 Y1510 I1512 | A1461-V1504 HydrophobicContact CB-CG2 3.61Å; L1463-V1504 HydrophobicContact CD1-CG1 4.06Å; L1463-V1504 HydrophobicContact CD2-CG1 4.38Å; P1486-V1504 HydrophobicContact CB-CG2 4.11Å; A1500-V1504 WeakPolarHBondContact O-CB 3.33Å; A1500-V1504 WeakPolarHBondContact O-CG2 3.31Å; A1500-V1504 PolarHBondContact O-N 2.64Å; R1502-V1504 VanDerWaalsContact C-N 3.34Å; R1502-V1504 PolarHBondContact O-N 2.88Å; V1504-V1508 HydrophobicContact CG1-CG2 3.65Å; V1504-V1508 WeakPolarHBondContact O-CG2 3.46Å; V1504-V1508 PolarHBondContact O-N 3.43Å; V1504-G1509 PolarHBondContact O-N 2.97Å; V1504-Y1510 WeakPolarHBondContact CG1-O 3.49Å; V1504-I1512 HydrophobicContact CB-CD1 4.19Å; V1504-I1512 HydrophobicContact CB-CG1 4.39Å; V1504-I1512 HydrophobicContact CG1-CD1 4.5Å; V1504-I1512 HydrophobicContact CG1-CG2 3.97Å; V1504-I1512 HydrophobicContact CG2-CD1 3.9Å |
| 1505 | L | 91.5 | Very high | 90.5 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.7 | -173.3 | 66 | 0 | 0 | 0 | 111.5 | V1501 R1502 G1509 D1511 Q1548 | V1501-L1505 WeakPolarHBondContact O-CB 3.43Å; V1501-L1505 PolarHBondContact O-N 3.31Å; R1502-L1505 WeakPolarHBondContact O-CB 3.43Å; R1502-L1505 PolarHBondContact O-N 2.88Å; R1502-L1505 VanDerWaalsContact O-N 3.17Å; L1505-G1509 WeakPolarHBondContact O-CA 3.47Å; L1505-G1509 PolarHBondContact O-N 3.25Å; L1505-D1511 HydrophobicContact CD1-CB 4.27Å; L1505-Q1548 VanDerWaalsContact O-CG 3.31Å; L1505-Q1548 WeakPolarHBondContact O-CG 3.48Å |
| 1506 | E | 89.9 | Confident | 90.3 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.7 | -48.3 | 179.4 | -76.4 | 172.1 | 177.9 | 0 | 0 | 112 | R1502 E1503 Q1548 T1549 | R1502-E1506 WeakPolarHBondContact CD-OE1 3.43Å; R1502-E1506 VanDerWaalsContact CG-CD 3.45Å; R1502-E1506 HydrophobicContact CG-CG 4.25Å; R1502-E1506 WeakPolarHBondContact CG-OE1 3.08Å; R1502-E1506 IonicContact NH1-OE2 3.36Å; R1502-E1506 PolarHBondContact NH1-OE2 3.2Å; R1502-E1506 VanDerWaalsContact NH1-OE2 3.1Å; R1502-E1506 WeakPolarHBondContact O-CB 3.45Å; R1502-E1506 WeakPolarHBondContact O-CG 3.33Å; R1502-E1506 PolarHBondContact O-N 3.39Å; E1503-E1506 PolarHBondContact O-N 3.07Å; E1506-Q1548 PolarHBondContact O-N 2.8Å; E1506-T1549 HydrophobicContact CB-CG2 3.93Å; E1506-T1549 HydrophobicContact CG-CG2 4.3Å; E1506-T1549 PolarHBondContact O-N 2.83Å |
| 1507 | E | 93.5 | Very high | 89.8 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -81.5 | -31 | -173.7 | -72.2 | -168.4 | 141.8 | 0 | 0 | 114.1 | P1486 K1487 E1503 P1547 I1553 | P1486-E1507 WeakPolarHBondContact CA-OE2 3.39Å; P1486-E1507 HydrophobicContact CB-CB 4.42Å; P1486-E1507 VanDerWaalsContact CB-OE2 3.3Å; P1486-E1507 WeakPolarHBondContact CB-OE2 3.26Å; K1487-E1507 PolarHBondContact N-OE2 3.1Å; E1503-E1507 WeakPolarHBondContact O-CB 3.3Å; E1503-E1507 WeakPolarHBondContact O-CG 3.32Å; E1503-E1507 PolarHBondContact O-N 2.81Å; E1507-P1547 WeakPolarHBondContact O-CA 3.31Å; E1507-P1547 WeakPolarHBondContact O-CB 3.33Å; E1507-I1553 HydrophobicContact CB-CD1 4.29Å; E1507-I1553 HydrophobicContact CB-CG1 3.82Å; E1507-I1553 HydrophobicContact CG-CD1 4.03Å; E1507-I1553 HydrophobicContact CG-CG1 3.91Å |
| 1508 | V | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -130 | -7.2 | -176.4 | -63.1 | 0 | 0 | 0 | 0 | 115.4 | L1463 L1472 V1474 P1486 V1504 F1545 L1546 I1556 | L1463-V1508 HydrophobicContact CD1-CG2 4.13Å; L1472-V1508 HydrophobicContact CD2-CB 4.37Å; L1472-V1508 HydrophobicContact CD2-CG1 4.13Å; L1472-V1508 HydrophobicContact CD2-CG2 4.46Å; V1474-V1508 HydrophobicContact CG1-CG1 3.35Å; P1486-V1508 HydrophobicContact CG-CG1 4.18Å; P1486-V1508 HydrophobicContact CG-CG2 4.45Å; V1504-V1508 HydrophobicContact CG1-CG2 3.65Å; V1504-V1508 WeakPolarHBondContact O-CG2 3.46Å; V1504-V1508 PolarHBondContact O-N 3.43Å; V1508-F1545 HydrophobicContact CB-CB 4.46Å; V1508-F1545 HydrophobicContact CB-CD1 4.07Å; V1508-F1545 HydrophobicContact CG2-CD1 4.34Å; V1508-F1545 CarbonylContact O-C 3.22Å; V1508-F1545 VanDerWaalsContact O-CA 3.29Å; V1508-F1545 WeakPolarHBondContact O-CA 3.36Å; V1508-L1546 CarbonylContact C-O 3.6Å; V1508-L1546 VanDerWaalsContact C-O 3.22Å; V1508-L1546 PolarHBondContact O-N 3.06Å; V1508-I1556 HydrophobicContact CB-CD1 4.15Å; V1508-I1556 HydrophobicContact CG1-CD1 3.8Å; V1508-I1556 HydrophobicContact CG1-CG1 4.06Å; V1508-I1556 HydrophobicContact CG1-CG2 3.88Å |
| 1509 | G | 89.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | trans | 76.4 | 17.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1504 L1505 F1543 L1546 | V1504-G1509 PolarHBondContact O-N 2.97Å; L1505-G1509 WeakPolarHBondContact O-CA 3.47Å; L1505-G1509 PolarHBondContact O-N 3.25Å; G1509-F1543 WeakPolarHBondContact O-CE1 3.46Å; G1509-F1543 VanDerWaalsContact O-CZ 3.27Å; G1509-F1543 WeakPolarHBondContact O-CZ 3.42Å; G1509-L1546 PolarHBondContact N-O 2.85Å | ||
| 1510 | Y | 91.9 | Very high | 86.4 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | trans | -112.6 | 120.3 | -177.6 | -171.8 | -103.7 | 0 | 0 | 0 | 111.3 | L1463 V1504 I1512 K1515 V1539 F1543 F1545 | L1463-Y1510 HydrophobicContact CD2-CD1 4.17Å; L1463-Y1510 HydrophobicContact CD2-CE1 4.48Å; V1504-Y1510 WeakPolarHBondContact CG1-O 3.49Å; Y1510-I1512 HydrophobicContact CD1-CG2 3.58Å; Y1510-I1512 HydrophobicContact CE1-CG2 3.86Å; Y1510-I1512 PolarHBondContact O-N 2.85Å; Y1510-K1515 PolarHBondContact OH-NZ 2.86Å; Y1510-K1515 VanDerWaalsContact OH-NZ 3.11Å; Y1510-V1539 HydrophobicContact CD1-CG1 4.41Å; Y1510-V1539 HydrophobicContact CE1-CG1 3.98Å; Y1510-V1539 HydrophobicContact CE1-CG2 4.09Å; Y1510-V1539 HydrophobicContact CE2-CG1 4.32Å; Y1510-F1543 AromaticContact CD2-CD1 3.72Å; Y1510-F1543 HydrophobicContact CD2-CD1 3.72Å; Y1510-F1543 HydrophobicContact CD2-CD2 4.05Å; Y1510-F1543 AromaticContact CD2-CE1 3.78Å; Y1510-F1543 HydrophobicContact CD2-CE1 3.78Å; Y1510-F1543 HydrophobicContact CD2-CE2 4.1Å; Y1510-F1543 AromaticContact CD2-CG 3.86Å; Y1510-F1543 HydrophobicContact CD2-CG 3.86Å; Y1510-F1543 AromaticContact CD2-CZ 3.97Å; Y1510-F1543 HydrophobicContact CD2-CZ 3.97Å; Y1510-F1543 HydrophobicContact CE2-CD2 4.28Å; Y1510-F1543 HydrophobicContact CE2-CG 4.26Å; Y1510-F1543 HydrophobicContact CG-CE1 4.41Å; Y1510-F1545 HydrophobicContact CD2-CE1 4.03Å; Y1510-F1545 AromaticContact CG-CE1 3.9Å; Y1510-F1545 HydrophobicContact CG-CE1 3.9Å | ||
| 1511 | D | 90.5 | Very high | 85.1 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | trans | -81.5 | 115.4 | 179 | -179.3 | 10.4 | 0 | 0 | 0 | 111.5 | L1505 S1513 H1514 | L1505-D1511 HydrophobicContact CD1-CB 4.27Å; D1511-S1513 VanDerWaalsContact OD1-CB 3.23Å; D1511-S1513 WeakPolarHBondContact OD1-CB 3.48Å; D1511-S1513 PolarHBondContact OD1-N 2.92Å; D1511-S1513 PolarHBondContact OD1-OG 2.82Å; D1511-H1514 PolarHBondContact O-CE1 3.48Å; D1511-H1514 PolarHBondContact O-ND1 3.17Å | ||
| 1512 | I | 91.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -99.7 | 3.6 | 179.7 | 60.7 | 166.6 | 0 | 0 | 0 | 114.2 | A1461 L1463 V1501 V1504 Y1510 H1514 K1515 I1516 I1536 | A1461-I1512 HydrophobicContact CB-CD1 3.72Å; L1463-I1512 HydrophobicContact CD2-CG2 3.76Å; V1501-I1512 HydrophobicContact CB-CG1 4.41Å; V1501-I1512 HydrophobicContact CG2-CG1 3.95Å; V1504-I1512 HydrophobicContact CB-CD1 4.19Å; V1504-I1512 HydrophobicContact CB-CG1 4.39Å; V1504-I1512 HydrophobicContact CG1-CD1 4.5Å; V1504-I1512 HydrophobicContact CG1-CG2 3.97Å; V1504-I1512 HydrophobicContact CG2-CD1 3.9Å; Y1510-I1512 HydrophobicContact CD1-CG2 3.58Å; Y1510-I1512 HydrophobicContact CE1-CG2 3.86Å; Y1510-I1512 PolarHBondContact O-N 2.85Å; I1512-H1514 PolarHBondContact O-N 3.31Å; I1512-K1515 PolarHBondContact O-N 3.19Å; I1512-I1516 HydrophobicContact CD1-CD1 4.27Å; I1512-I1516 PolarHBondContact O-N 2.96Å; I1512-I1516 VanDerWaalsContact O-N 3.08Å; I1512-I1536 HydrophobicContact CB-CD1 4.47Å; I1512-I1536 HydrophobicContact CB-CG1 4.35Å; I1512-I1536 HydrophobicContact CD1-CD1 4.44Å; I1512-I1536 HydrophobicContact CD1-CG1 4.22Å; I1512-I1536 HydrophobicContact CG2-CG1 4.27Å; I1512-I1536 HydrophobicContact CG2-CG2 4.22Å | ||
| 1513 | S | 87.2 | Confident | 83.3 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.9 | -175.5 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | V1501 D1511 | V1501-S1513 WeakPolarHBondContact CG1-OG 3.38Å; D1511-S1513 VanDerWaalsContact OD1-CB 3.23Å; D1511-S1513 WeakPolarHBondContact OD1-CB 3.48Å; D1511-S1513 PolarHBondContact OD1-N 2.92Å; D1511-S1513 PolarHBondContact OD1-OG 2.82Å |
| 1514 | H | 83.9 | Confident | 82.4 | Confident | 128 Ų | 128 | 47.9 Ų | 47.9 | 59% | 0.593 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.7 | -177.9 | 66.9 | -77.2 | 0 | 0 | 0 | 114.3 | D1511 I1512 | D1511-H1514 PolarHBondContact O-CE1 3.48Å; D1511-H1514 PolarHBondContact O-ND1 3.17Å; I1512-H1514 PolarHBondContact O-N 3.31Å |
| 1515 | K | 82.7 | Confident | 81.4 | Confident | 71 Ų | 71 | 57 Ų | 57 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -9.1 | -176.7 | -74.8 | 174 | 179.6 | 173.5 | 0 | 114.1 | Y1510 I1512 I1536 G1538 | Y1510-K1515 PolarHBondContact OH-NZ 2.86Å; Y1510-K1515 VanDerWaalsContact OH-NZ 3.11Å; I1512-K1515 PolarHBondContact O-N 3.19Å; K1515-I1536 HydrophobicContact CB-CD1 4.32Å; K1515-I1536 HydrophobicContact CB-CG2 3.79Å; K1515-I1536 HydrophobicContact CD-CG2 3.93Å; K1515-I1536 HydrophobicContact CG-CG2 4.48Å; K1515-G1538 PolarHBondContact NZ-O 2.7Å |
| 1516 | I | 85.2 | Confident | 80.1 | Confident | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | trans | -73.4 | 136.8 | -177.5 | -160.6 | 165.4 | 0 | 0 | 0 | 111.1 | E1497 A1500 V1501 I1512 F1534 I1536 | E1497-I1516 HydrophobicContact CB-CD1 4.09Å; E1497-I1516 HydrophobicContact CG-CD1 4.49Å; A1500-I1516 HydrophobicContact CB-CD1 3.96Å; V1501-I1516 HydrophobicContact CG2-CD1 4.13Å; V1501-I1516 HydrophobicContact CG2-CG2 4.42Å; I1512-I1516 HydrophobicContact CD1-CD1 4.27Å; I1512-I1516 PolarHBondContact O-N 2.96Å; I1512-I1516 VanDerWaalsContact O-N 3.08Å; I1516-F1534 HydrophobicContact CD1-CB 4.26Å; I1516-F1534 HydrophobicContact CD1-CD1 3.88Å; I1516-F1534 HydrophobicContact CD1-CD2 3.89Å; I1516-F1534 HydrophobicContact CD1-CE1 4.14Å; I1516-F1534 HydrophobicContact CD1-CE2 4.16Å; I1516-F1534 HydrophobicContact CD1-CG 3.75Å; I1516-F1534 HydrophobicContact CD1-CZ 4.28Å; I1516-F1534 HydrophobicContact CG1-CB 4.07Å; I1516-F1534 HydrophobicContact CG1-CD1 3.54Å; I1516-F1534 HydrophobicContact CG1-CD2 4.41Å; I1516-F1534 HydrophobicContact CG1-CE1 4.03Å; I1516-F1534 HydrophobicContact CG1-CG 3.76Å; I1516-I1536 HydrophobicContact CB-CD1 4.26Å; I1516-I1536 HydrophobicContact CG1-CD1 4.44Å | ||
| 1517 | A | 76.3 | Confident | 78.9 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 50% | 0.496 | 32% | 0.318 | S | S | . | . | trans | -92.1 | 154.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1519 F1534 | A1517-A1519 PolarHBondContact O-N 2.82Å; A1517-F1534 WeakPolarHBondContact O-CD1 3.47Å; A1517-F1534 VanDerWaalsContact O-CE1 3.26Å; A1517-F1534 WeakPolarHBondContact O-CE1 3.21Å | ||
| 1518 | A | 65.3 | Low | 77.7 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 77% | 0.769 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -65.9 | 3.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1519 | A | 70.9 | Confident | 76.7 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 31% | 0.306 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -148.2 | 139.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1517 F1534 | A1517-A1519 PolarHBondContact O-N 2.82Å; A1519-F1534 VanDerWaalsContact C-CE1 3.5Å |
| 1520 | P | 65.5 | Low | 76.3 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | trans | -63.1 | 143.3 | -177.9 | 23 | -31.5 | 0 | 0 | 0 | 111.4 | A1522 I1523 F1534 | P1520-A1522 VanDerWaalsContact C-N 3.34Å; P1520-A1522 PolarHBondContact O-N 3.15Å; P1520-I1523 HydrophobicContact CB-CG1 4.25Å; P1520-I1523 HydrophobicContact CG-CD1 3.73Å; P1520-I1523 HydrophobicContact CG-CG1 3.76Å; P1520-F1534 HydrophobicContact CB-CD1 4.33Å; P1520-F1534 HydrophobicContact CB-CD2 4.45Å; P1520-F1534 HydrophobicContact CB-CE1 4.04Å; P1520-F1534 HydrophobicContact CB-CE2 4.17Å; P1520-F1534 HydrophobicContact CB-CZ 3.96Å; P1520-F1534 HydrophobicContact CG-CZ 4.43Å | ||
| 1521 | F | 66.1 | Low | 76 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 6% | 0.057 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -65.2 | -38.2 | 179.5 | 171.1 | -103.3 | 0 | 0 | 0 | 111.7 | I1462 L1533 L1535 F1592 Y1596 P1668 F1672 | I1462-F1521 HydrophobicContact CD1-CD1 3.98Å; I1462-F1521 HydrophobicContact CD1-CE1 4.26Å; F1521-L1533 WeakPolarHBondContact CA-O 3.38Å; F1521-L1533 VanDerWaalsContact CB-O 3.31Å; F1521-L1533 WeakPolarHBondContact CB-O 3.41Å; F1521-L1533 PolarHBondContact N-O 2.8Å; F1521-L1535 HydrophobicContact CB-CB 3.65Å; F1521-L1535 HydrophobicContact CD1-CB 4Å; F1521-L1535 HydrophobicContact CD2-CB 3.65Å; F1521-L1535 HydrophobicContact CD2-CD2 3.77Å; F1521-L1535 HydrophobicContact CD2-CG 4.36Å; F1521-L1535 HydrophobicContact CE1-CD2 4.45Å; F1521-L1535 HydrophobicContact CE2-CB 4.27Å; F1521-L1535 HydrophobicContact CE2-CD2 3.55Å; F1521-L1535 HydrophobicContact CG-CB 3.51Å; F1521-L1535 HydrophobicContact CG-CD2 4.33Å; F1521-L1535 HydrophobicContact CG-CG 4.49Å; F1521-L1535 HydrophobicContact CZ-CD2 3.92Å; F1521-F1592 HydrophobicContact CZ-CB 4.48Å; F1521-Y1596 HydrophobicContact CE2-CD2 4.3Å; F1521-Y1596 HydrophobicContact CE2-CG 4.41Å; F1521-P1668 HydrophobicContact CD2-CB 3.53Å; F1521-P1668 HydrophobicContact CE2-CB 3.73Å; F1521-F1672 HydrophobicContact CD1-CE2 4.48Å; F1521-F1672 HydrophobicContact CD1-CZ 4.03Å; F1521-F1672 AromaticContact CD2-CE2 3.89Å; F1521-F1672 HydrophobicContact CD2-CE2 3.89Å; F1521-F1672 HydrophobicContact CD2-CZ 4.25Å; F1521-F1672 HydrophobicContact CE1-CE2 4.27Å; F1521-F1672 AromaticContact CE1-CZ 3.74Å; F1521-F1672 HydrophobicContact CE1-CZ 3.74Å; F1521-F1672 AromaticContact CE2-CE2 3.63Å; F1521-F1672 HydrophobicContact CE2-CE2 3.63Å; F1521-F1672 AromaticContact CE2-CZ 3.96Å; F1521-F1672 HydrophobicContact CE2-CZ 3.96Å; F1521-F1672 HydrophobicContact CG-CE2 4.31Å; F1521-F1672 HydrophobicContact CG-CZ 4.28Å; F1521-F1672 AromaticContact CZ-CE2 3.84Å; F1521-F1672 HydrophobicContact CZ-CE2 3.84Å; F1521-F1672 AromaticContact CZ-CZ 3.7Å; F1521-F1672 HydrophobicContact CZ-CZ 3.7Å; F1521-F1672 WeakPolarHBondContact O-CE2 3.4Å; F1521-F1672 WeakPolarHBondContact O-CZ 3.42Å |
| 1522 | A | 71.4 | Confident | 75.9 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 134.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1520 G1532 L1533 F1589 F1672 | P1520-A1522 VanDerWaalsContact C-N 3.34Å; P1520-A1522 PolarHBondContact O-N 3.15Å; A1522-G1532 WeakPolarHBondContact O-CA 3.3Å; A1522-L1533 PolarHBondContact N-O 2.88Å; A1522-L1533 PolarHBondContact O-N 2.95Å; A1522-F1589 HydrophobicContact CB-CD1 4.09Å; A1522-F1589 HydrophobicContact CB-CE1 3.98Å; A1522-F1672 HydrophobicContact CB-CE1 3.93Å; A1522-F1672 HydrophobicContact CB-CZ 3.96Å |
| 1523 | I | 75.8 | Confident | 76 | Confident | 107 Ų | 107 | 60.4 Ų | 60.4 | 55% | 0.549 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.6 | 167.8 | -58.7 | 171.5 | 0 | 0 | 0 | 108.3 | P1520 N1530 L1531 | P1520-I1523 HydrophobicContact CB-CG1 4.25Å; P1520-I1523 HydrophobicContact CG-CD1 3.73Å; P1520-I1523 HydrophobicContact CG-CG1 3.76Å; I1523-N1530 HydrophobicContact CG2-CB 4.4Å; I1523-L1531 CarbonylContact C-O 3.58Å; I1523-L1531 WeakPolarHBondContact CA-O 3.5Å |
| 1524 | R | 76.3 | Confident | 76.1 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 36% | 0.362 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134 | 179.6 | -76.5 | -93.5 | -175.7 | -179.7 | -8.2 | 109.6 | L1526 L1531 P1588 F1589 | R1524-L1526 PolarHBondContact O-N 3.45Å; R1524-L1531 PolarHBondContact N-O 3.21Å; R1524-L1531 PolarHBondContact O-N 2.87Å; R1524-P1588 HydrophobicContact CG-CB 4.37Å; R1524-P1588 PolarHBondContact NH2-O 3.31Å; R1524-F1589 HydrophobicContact CB-CE1 4.25Å; R1524-F1589 HydrophobicContact CB-CZ 3.96Å; R1524-F1589 HydrophobicContact CG-CE1 3.7Å; R1524-F1589 HydrophobicContact CG-CZ 3.84Å |
| 1525 | R | 72.2 | Confident | 76.4 | Confident | 192 Ų | 192 | 52.9 Ų | 52.9 | 73% | 0.725 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.4 | 166.6 | -162.5 | 173.2 | -173 | 169.1 | 3.8 | 109.1 | ||
| 1526 | L | 64.5 | Low | 76.7 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 110.8 | 177.5 | -81.8 | 167.3 | 0 | 0 | 0 | 108.7 | R1524 D1528 S1529 L1531 M1585 P1588 F1589 | R1524-L1526 PolarHBondContact O-N 3.45Å; L1526-D1528 PolarHBondContact O-N 2.8Å; L1526-S1529 PolarHBondContact N-O 3.23Å; L1526-S1529 PolarHBondContact O-N 2.97Å; L1526-S1529 PolarHBondContact O-OG 2.88Å; L1526-L1531 HydrophobicContact CD1-CB 3.99Å; L1526-L1531 HydrophobicContact CD1-CD2 3.44Å; L1526-L1531 VanDerWaalsContact CD1-CD2 3.44Å; L1526-L1531 HydrophobicContact CD1-CG 4.33Å; L1526-M1585 HydrophobicContact CD1-CE 3.84Å; L1526-M1585 HydrophobicContact CD1-SD 4.26Å; L1526-P1588 HydrophobicContact CD2-CG 4.07Å; L1526-F1589 HydrophobicContact CD1-CE2 4.43Å |
| 1527 | A | 66.4 | Low | 76.8 | Confident | 90 Ų | 90 | 52.2 Ų | 52.2 | 74% | 0.744 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | -103.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1528 | D | 66.5 | Low | 77 | Confident | 108 Ų | 108 | 50.8 Ų | 50.8 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -8.6 | -172.4 | -54.9 | -38.8 | 0 | 0 | 0 | 114.1 | S1454 L1526 | S1454-D1528 CarbonylContact O-C 3.54Å; L1526-D1528 PolarHBondContact O-N 2.8Å |
| 1529 | S | 71.7 | Confident | 78.1 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.6 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | S1454 L1458 L1526 | S1454-S1529 VanDerWaalsContact O-CB 3.3Å; S1454-S1529 WeakPolarHBondContact O-CB 3.49Å; L1458-S1529 WeakPolarHBondContact CD1-OG 3.42Å; L1526-S1529 PolarHBondContact N-O 3.23Å; L1526-S1529 PolarHBondContact O-N 2.97Å; L1526-S1529 PolarHBondContact O-OG 2.88Å |
| 1530 | N | 80.8 | Confident | 78.8 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.7 | 169.9 | -71 | -22 | 0 | 0 | 0 | 109.2 | P1457 L1458 I1523 | P1457-N1530 WeakPolarHBondContact CA-O 3.43Å; L1458-N1530 PolarHBondContact N-O 2.88Å; I1523-N1530 HydrophobicContact CG2-CB 4.4Å |
| 1531 | L | 86.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 112.5 | 173.6 | 175.4 | 58.3 | 0 | 0 | 0 | 109.8 | L1458 K1487 I1523 R1524 L1526 L1533 M1585 F1589 | L1458-L1531 HydrophobicContact CB-CD1 3.68Å; L1458-L1531 CarbonylContact O-C 3.59Å; L1458-L1531 WeakPolarHBondContact O-CA 3.41Å; K1487-L1531 HydrophobicContact CB-CD1 4.18Å; K1487-L1531 HydrophobicContact CD-CD1 3.59Å; K1487-L1531 HydrophobicContact CD-CD2 3.98Å; K1487-L1531 HydrophobicContact CD-CG 4.47Å; K1487-L1531 HydrophobicContact CG-CD1 4.3Å; I1523-L1531 CarbonylContact C-O 3.58Å; I1523-L1531 WeakPolarHBondContact CA-O 3.5Å; R1524-L1531 PolarHBondContact N-O 3.21Å; R1524-L1531 PolarHBondContact O-N 2.87Å; L1526-L1531 HydrophobicContact CD1-CB 3.99Å; L1526-L1531 HydrophobicContact CD1-CD2 3.44Å; L1526-L1531 VanDerWaalsContact CD1-CD2 3.44Å; L1526-L1531 HydrophobicContact CD1-CG 4.33Å; L1531-L1533 HydrophobicContact CD1-CD2 3.92Å; L1531-L1533 HydrophobicContact CD1-CG 4.13Å; L1531-L1533 HydrophobicContact CD2-CD1 4.17Å; L1531-L1533 HydrophobicContact CD2-CG 4.31Å; L1531-L1533 HydrophobicContact CG-CD1 4.42Å; L1531-L1533 HydrophobicContact CG-CD2 4.36Å; L1531-L1533 HydrophobicContact CG-CG 4.04Å; L1531-M1585 HydrophobicContact CD2-CE 4.39Å; L1531-F1589 HydrophobicContact CD2-CE2 3.99Å; L1531-F1589 HydrophobicContact CD2-CZ 3.86Å; L1531-F1589 HydrophobicContact CG-CZ 4.3Å |
| 1532 | G | 88.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1458 F1459 G1460 A1522 | L1458-G1532 PolarHBondContact O-N 2.85Å; F1459-G1532 VanDerWaalsContact CA-O 3.26Å; F1459-G1532 WeakPolarHBondContact CA-O 3.12Å; G1460-G1532 PolarHBondContact N-O 3Å; G1460-G1532 VanDerWaalsContact N-O 3.13Å; A1522-G1532 WeakPolarHBondContact O-CA 3.3Å |
| 1533 | L | 91.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.7 | 175.2 | -65.8 | 173.7 | 0 | 0 | 0 | 110.7 | G1460 I1462 F1485 K1487 F1521 A1522 L1531 F1589 | G1460-L1533 CarbonylContact O-C 3.59Å; G1460-L1533 WeakPolarHBondContact O-CA 3.35Å; I1462-L1533 HydrophobicContact CD1-CB 4.04Å; I1462-L1533 HydrophobicContact CD1-CD1 4.06Å; I1462-L1533 HydrophobicContact CG1-CB 4.02Å; I1462-L1533 HydrophobicContact CG1-CD1 3.92Å; F1485-L1533 HydrophobicContact CB-CD1 4.09Å; F1485-L1533 HydrophobicContact CB-CD2 4.04Å; F1485-L1533 HydrophobicContact CD2-CD1 3.44Å; F1485-L1533 VanDerWaalsContact CD2-CD1 3.44Å; F1485-L1533 HydrophobicContact CE2-CD1 4.15Å; F1485-L1533 HydrophobicContact CG-CD1 3.95Å; K1487-L1533 HydrophobicContact CB-CD2 4.45Å; F1521-L1533 WeakPolarHBondContact CA-O 3.38Å; F1521-L1533 VanDerWaalsContact CB-O 3.31Å; F1521-L1533 WeakPolarHBondContact CB-O 3.41Å; F1521-L1533 PolarHBondContact N-O 2.8Å; A1522-L1533 PolarHBondContact N-O 2.88Å; A1522-L1533 PolarHBondContact O-N 2.95Å; L1531-L1533 HydrophobicContact CD1-CD2 3.92Å; L1531-L1533 HydrophobicContact CD1-CG 4.13Å; L1531-L1533 HydrophobicContact CD2-CD1 4.17Å; L1531-L1533 HydrophobicContact CD2-CG 4.31Å; L1531-L1533 HydrophobicContact CG-CD1 4.42Å; L1531-L1533 HydrophobicContact CG-CD2 4.36Å; L1531-L1533 HydrophobicContact CG-CG 4.04Å; L1533-F1589 HydrophobicContact CD1-CD1 4.09Å; L1533-F1589 HydrophobicContact CD1-CD2 4.14Å; L1533-F1589 HydrophobicContact CD1-CE1 3.81Å; L1533-F1589 HydrophobicContact CD1-CE2 3.87Å; L1533-F1589 HydrophobicContact CD1-CG 4.25Å; L1533-F1589 HydrophobicContact CD1-CZ 3.7Å; L1533-F1589 HydrophobicContact CG-CE1 4.49Å; L1533-F1589 HydrophobicContact CG-CZ 4.47Å |
| 1534 | F | 90.8 | Very high | 81.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.9 | 173 | -65.2 | -95.8 | 0 | 0 | 0 | 110.4 | F1459 G1460 A1461 I1462 P1496 E1497 A1500 I1516 A1517 A1519 P1520 I1536 | F1459-F1534 HydrophobicContact CD1-CE2 4.33Å; G1460-F1534 WeakPolarHBondContact O-CD2 3.44Å; G1460-F1534 PolarHBondContact O-N 2.81Å; A1461-F1534 CarbonylContact C-O 3.54Å; A1461-F1534 VanDerWaalsContact CA-O 3.23Å; A1461-F1534 WeakPolarHBondContact CA-O 3.36Å; I1462-F1534 PolarHBondContact N-O 2.93Å; P1496-F1534 HydrophobicContact CB-CZ 4.32Å; E1497-F1534 HydrophobicContact CG-CE1 4.06Å; E1497-F1534 HydrophobicContact CG-CZ 3.94Å; A1500-F1534 HydrophobicContact CB-CD2 3.5Å; A1500-F1534 VanDerWaalsContact CB-CD2 3.5Å; A1500-F1534 HydrophobicContact CB-CE2 3.71Å; I1516-F1534 HydrophobicContact CD1-CB 4.26Å; I1516-F1534 HydrophobicContact CD1-CD1 3.88Å; I1516-F1534 HydrophobicContact CD1-CD2 3.89Å; I1516-F1534 HydrophobicContact CD1-CE1 4.14Å; I1516-F1534 HydrophobicContact CD1-CE2 4.16Å; I1516-F1534 HydrophobicContact CD1-CG 3.75Å; I1516-F1534 HydrophobicContact CD1-CZ 4.28Å; I1516-F1534 HydrophobicContact CG1-CB 4.07Å; I1516-F1534 HydrophobicContact CG1-CD1 3.54Å; I1516-F1534 HydrophobicContact CG1-CD2 4.41Å; I1516-F1534 HydrophobicContact CG1-CE1 4.03Å; I1516-F1534 HydrophobicContact CG1-CG 3.76Å; A1517-F1534 WeakPolarHBondContact O-CD1 3.47Å; A1517-F1534 VanDerWaalsContact O-CE1 3.26Å; A1517-F1534 WeakPolarHBondContact O-CE1 3.21Å; A1519-F1534 VanDerWaalsContact C-CE1 3.5Å; P1520-F1534 HydrophobicContact CB-CD1 4.33Å; P1520-F1534 HydrophobicContact CB-CD2 4.45Å; P1520-F1534 HydrophobicContact CB-CE1 4.04Å; P1520-F1534 HydrophobicContact CB-CE2 4.17Å; P1520-F1534 HydrophobicContact CB-CZ 3.96Å; P1520-F1534 HydrophobicContact CG-CZ 4.43Å; F1534-I1536 HydrophobicContact CB-CD1 4.42Å |
| 1535 | L | 89.5 | Confident | 81.9 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.7 | 177.6 | -178.6 | 69.1 | 0 | 0 | 0 | 110 | I1462 V1464 F1521 Y1596 | I1462-L1535 HydrophobicContact CB-CD1 3.82Å; I1462-L1535 HydrophobicContact CG2-CD1 3.6Å; V1464-L1535 HydrophobicContact CG2-CD1 3.77Å; F1521-L1535 HydrophobicContact CB-CB 3.65Å; F1521-L1535 HydrophobicContact CD1-CB 4Å; F1521-L1535 HydrophobicContact CD2-CB 3.65Å; F1521-L1535 HydrophobicContact CD2-CD2 3.77Å; F1521-L1535 HydrophobicContact CD2-CG 4.36Å; F1521-L1535 HydrophobicContact CE1-CD2 4.45Å; F1521-L1535 HydrophobicContact CE2-CB 4.27Å; F1521-L1535 HydrophobicContact CE2-CD2 3.55Å; F1521-L1535 HydrophobicContact CG-CB 3.51Å; F1521-L1535 HydrophobicContact CG-CD2 4.33Å; F1521-L1535 HydrophobicContact CG-CG 4.49Å; F1521-L1535 HydrophobicContact CZ-CD2 3.92Å; L1535-Y1596 HydrophobicContact CD2-CD1 3.4Å; L1535-Y1596 HydrophobicContact CD2-CD2 4.36Å; L1535-Y1596 HydrophobicContact CD2-CE1 3.33Å; L1535-Y1596 HydrophobicContact CD2-CE2 4.32Å; L1535-Y1596 HydrophobicContact CD2-CG 3.93Å |
| 1536 | I | 90 | Very high | 82.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.1 | -178 | -53.1 | -61 | 0 | 0 | 0 | 108.5 | A1461 I1462 L1463 V1464 I1512 K1515 I1516 F1534 V1539 | A1461-I1536 HydrophobicContact CB-CG1 4.03Å; I1462-I1536 PolarHBondContact O-N 3.08Å; L1463-I1536 HydrophobicContact CD2-CB 4.04Å; L1463-I1536 HydrophobicContact CD2-CG1 4.42Å; L1463-I1536 HydrophobicContact CD2-CG2 4.2Å; V1464-I1536 PolarHBondContact N-O 3.28Å; I1512-I1536 HydrophobicContact CB-CD1 4.47Å; I1512-I1536 HydrophobicContact CB-CG1 4.35Å; I1512-I1536 HydrophobicContact CD1-CD1 4.44Å; I1512-I1536 HydrophobicContact CD1-CG1 4.22Å; I1512-I1536 HydrophobicContact CG2-CG1 4.27Å; I1512-I1536 HydrophobicContact CG2-CG2 4.22Å; K1515-I1536 HydrophobicContact CB-CD1 4.32Å; K1515-I1536 HydrophobicContact CB-CG2 3.79Å; K1515-I1536 HydrophobicContact CD-CG2 3.93Å; K1515-I1536 HydrophobicContact CG-CG2 4.48Å; I1516-I1536 HydrophobicContact CB-CD1 4.26Å; I1516-I1536 HydrophobicContact CG1-CD1 4.44Å; F1534-I1536 HydrophobicContact CB-CD1 4.42Å; I1536-V1539 HydrophobicContact CG2-CG2 3.98Å |
| 1537 | R | 86.3 | Confident | 83.7 | Confident | 93 Ų | 93 | 55.8 Ų | 55.8 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 159.2 | -178.7 | 63.5 | 177.1 | -176.5 | 171.3 | 2.5 | 111.8 | L1468 | L1468-R1537 HydrophobicContact CD2-CB 4.21Å |
| 1538 | G | 81.4 | Confident | 84.5 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.3 | 37.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1464 K1515 | V1464-G1538 PolarHBondContact O-N 3.35Å; K1515-G1538 PolarHBondContact NZ-O 2.7Å |
| 1539 | V | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 126.8 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | L1463 V1464 N1465 E1466 Y1510 I1536 A1541 F1545 W1558 | L1463-V1539 HydrophobicContact CB-CG2 4.17Å; L1463-V1539 HydrophobicContact CD2-CG2 3.91Å; V1464-V1539 WeakPolarHBondContact O-CB 3.25Å; V1464-V1539 PolarHBondContact O-N 3.28Å; N1465-V1539 WeakPolarHBondContact CA-O 3.48Å; E1466-V1539 PolarHBondContact N-O 3.25Å; Y1510-V1539 HydrophobicContact CD1-CG1 4.41Å; Y1510-V1539 HydrophobicContact CE1-CG1 3.98Å; Y1510-V1539 HydrophobicContact CE1-CG2 4.09Å; Y1510-V1539 HydrophobicContact CE2-CG1 4.32Å; I1536-V1539 HydrophobicContact CG2-CG2 3.98Å; V1539-A1541 PolarHBondContact O-N 3.49Å; V1539-F1545 HydrophobicContact CG1-CE1 4.22Å; V1539-F1545 HydrophobicContact CG1-CZ 3.69Å; V1539-W1558 HydrophobicContact CB-CH2 4.07Å; V1539-W1558 HydrophobicContact CG1-CH2 3.94Å; V1539-W1558 HydrophobicContact CG1-CZ2 4.11Å |
| 1540 | E | 85.2 | Confident | 85 | Confident | 103 Ų | 103 | 61.4 Ų | 61.4 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | trans | -61.9 | 114.8 | -179.7 | -70.6 | 170.8 | -146.8 | 0 | 0 | 110.3 | E1466 N1542 F1543 | E1466-E1540 WeakPolarHBondContact OE1-CG 3.27Å; E1540-N1542 PolarHBondContact O-N 2.88Å; E1540-F1543 HydrophobicContact CB-CB 4.26Å; E1540-F1543 WeakPolarHBondContact O-CB 3.41Å; E1540-F1543 PolarHBondContact O-N 3.47Å; E1540-F1543 VanDerWaalsContact O-N 3.16Å | ||
| 1541 | A | 81.5 | Confident | 84.8 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1465 V1539 | N1465-A1541 HydrophobicContact CB-CB 4.49Å; V1539-A1541 PolarHBondContact O-N 3.49Å |
| 1542 | N | 80.9 | Confident | 84.4 | Confident | 160 Ų | 160 | 63.6 Ų | 63.6 | 86% | 0.856 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -4.7 | -177.9 | -55.7 | -18.6 | 0 | 0 | 0 | 113.1 | E1540 | E1540-N1542 PolarHBondContact O-N 2.88Š|
| 1543 | F | 85.3 | Confident | 84.3 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -61.3 | 139.3 | 176.6 | -178.2 | -92 | 0 | 0 | 0 | 110.3 | G1509 Y1510 E1540 F1545 | G1509-F1543 WeakPolarHBondContact O-CE1 3.46Å; G1509-F1543 VanDerWaalsContact O-CZ 3.27Å; G1509-F1543 WeakPolarHBondContact O-CZ 3.42Å; Y1510-F1543 AromaticContact CD2-CD1 3.72Å; Y1510-F1543 HydrophobicContact CD2-CD1 3.72Å; Y1510-F1543 HydrophobicContact CD2-CD2 4.05Å; Y1510-F1543 AromaticContact CD2-CE1 3.78Å; Y1510-F1543 HydrophobicContact CD2-CE1 3.78Å; Y1510-F1543 HydrophobicContact CD2-CE2 4.1Å; Y1510-F1543 AromaticContact CD2-CG 3.86Å; Y1510-F1543 HydrophobicContact CD2-CG 3.86Å; Y1510-F1543 AromaticContact CD2-CZ 3.97Å; Y1510-F1543 HydrophobicContact CD2-CZ 3.97Å; Y1510-F1543 HydrophobicContact CE2-CD2 4.28Å; Y1510-F1543 HydrophobicContact CE2-CG 4.26Å; Y1510-F1543 HydrophobicContact CG-CE1 4.41Å; E1540-F1543 HydrophobicContact CB-CB 4.26Å; E1540-F1543 WeakPolarHBondContact O-CB 3.41Å; E1540-F1543 PolarHBondContact O-N 3.47Å; E1540-F1543 VanDerWaalsContact O-N 3.16Å; F1543-F1545 HydrophobicContact CB-CE1 4.49Å; F1543-F1545 HydrophobicContact CB-CE2 3.89Å; F1543-F1545 HydrophobicContact CB-CZ 3.87Å; F1543-F1545 AromaticContact CD1-CD1 3.62Å; F1543-F1545 HydrophobicContact CD1-CD1 3.62Å; F1543-F1545 HydrophobicContact CD1-CD2 4.17Å; F1543-F1545 AromaticContact CD1-CE1 3.58Å; F1543-F1545 HydrophobicContact CD1-CE1 3.58Å; F1543-F1545 HydrophobicContact CD1-CE2 4.11Å; F1543-F1545 AromaticContact CD1-CG 3.92Å; F1543-F1545 HydrophobicContact CD1-CG 3.92Å; F1543-F1545 AromaticContact CD1-CZ 3.82Å; F1543-F1545 HydrophobicContact CD1-CZ 3.82Å; F1543-F1545 HydrophobicContact CE1-CD1 4.09Å; F1543-F1545 HydrophobicContact CE1-CE1 4.28Å; F1543-F1545 HydrophobicContact CG-CE1 4.4Å; F1543-F1545 HydrophobicContact CG-CZ 4.26Å; F1543-F1545 WeakPolarHBondContact O-CD2 3.48Å; F1543-F1545 WeakPolarHBondContact O-CE2 3.4Å; F1543-F1545 PolarHBondContact O-N 3.45Å |
| 1544 | R | 82.5 | Confident | 83.9 | Confident | 198 Ų | 198 | 69.3 Ų | 69.3 | 75% | 0.747 | 33% | 0.33 | S | S | * | . | trans | -83.9 | 79.5 | -176.6 | -167.6 | -178.9 | -178.4 | -164.5 | -3.7 | 110.6 | L1546 | R1544-L1546 HydrophobicContact CG-CD1 4.03Å; R1544-L1546 HydrophobicContact CG-CG 4.23Å; R1544-L1546 PolarHBondContact O-N 3.02Å | ||
| 1545 | F | 90.2 | Very high | 83.8 | Confident | 27 Ų | 27 | 75.3 Ų | 75.3 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | trans | -62.5 | 119.9 | 176.4 | -58.5 | -81.3 | 0 | 0 | 0 | 111 | L1472 V1508 Y1510 V1539 F1543 I1556 W1558 | L1472-F1545 HydrophobicContact CD1-CD2 4.28Å; L1472-F1545 HydrophobicContact CD1-CE2 4.43Å; L1472-F1545 HydrophobicContact CD2-CD1 3.63Å; L1472-F1545 HydrophobicContact CD2-CD2 4.31Å; L1472-F1545 HydrophobicContact CD2-CE1 3.75Å; L1472-F1545 HydrophobicContact CD2-CE2 4.44Å; L1472-F1545 HydrophobicContact CD2-CG 3.93Å; L1472-F1545 HydrophobicContact CD2-CZ 4.18Å; V1508-F1545 HydrophobicContact CB-CB 4.46Å; V1508-F1545 HydrophobicContact CB-CD1 4.07Å; V1508-F1545 HydrophobicContact CG2-CD1 4.34Å; V1508-F1545 CarbonylContact O-C 3.22Å; V1508-F1545 VanDerWaalsContact O-CA 3.29Å; V1508-F1545 WeakPolarHBondContact O-CA 3.36Å; Y1510-F1545 HydrophobicContact CD2-CE1 4.03Å; Y1510-F1545 AromaticContact CG-CE1 3.9Å; Y1510-F1545 HydrophobicContact CG-CE1 3.9Å; V1539-F1545 HydrophobicContact CG1-CE1 4.22Å; V1539-F1545 HydrophobicContact CG1-CZ 3.69Å; F1543-F1545 HydrophobicContact CB-CE1 4.49Å; F1543-F1545 HydrophobicContact CB-CE2 3.89Å; F1543-F1545 HydrophobicContact CB-CZ 3.87Å; F1543-F1545 AromaticContact CD1-CD1 3.62Å; F1543-F1545 HydrophobicContact CD1-CD1 3.62Å; F1543-F1545 HydrophobicContact CD1-CD2 4.17Å; F1543-F1545 AromaticContact CD1-CE1 3.58Å; F1543-F1545 HydrophobicContact CD1-CE1 3.58Å; F1543-F1545 HydrophobicContact CD1-CE2 4.11Å; F1543-F1545 AromaticContact CD1-CG 3.92Å; F1543-F1545 HydrophobicContact CD1-CG 3.92Å; F1543-F1545 AromaticContact CD1-CZ 3.82Å; F1543-F1545 HydrophobicContact CD1-CZ 3.82Å; F1543-F1545 HydrophobicContact CE1-CD1 4.09Å; F1543-F1545 HydrophobicContact CE1-CE1 4.28Å; F1543-F1545 HydrophobicContact CG-CE1 4.4Å; F1543-F1545 HydrophobicContact CG-CZ 4.26Å; F1543-F1545 WeakPolarHBondContact O-CD2 3.48Å; F1543-F1545 WeakPolarHBondContact O-CE2 3.4Å; F1543-F1545 PolarHBondContact O-N 3.45Å; F1545-I1556 HydrophobicContact CB-CD1 4.11Å; F1545-I1556 HydrophobicContact CB-CG2 4.03Å; F1545-W1558 AromaticContact CE2-CZ2 3.77Å; F1545-W1558 HydrophobicContact CE2-CZ2 3.77Å; F1545-W1558 AromaticContact CE2-NE1 3.81Å; F1545-W1558 AromaticContact CZ-CZ2 3.87Å; F1545-W1558 HydrophobicContact CZ-CZ2 3.87Å | ||
| 1546 | L | 85.4 | Confident | 83.9 | Confident | 75 Ų | 75 | 75.8 Ų | 75.8 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | trans | -142.7 | 131.6 | 179.2 | -74.1 | 169.7 | 0 | 0 | 0 | 108.3 | V1508 G1509 R1544 Q1548 | V1508-L1546 CarbonylContact C-O 3.6Å; V1508-L1546 VanDerWaalsContact C-O 3.22Å; V1508-L1546 PolarHBondContact O-N 3.06Å; G1509-L1546 PolarHBondContact N-O 2.85Å; R1544-L1546 HydrophobicContact CG-CD1 4.03Å; R1544-L1546 HydrophobicContact CG-CG 4.23Å; R1544-L1546 PolarHBondContact O-N 3.02Å; L1546-Q1548 PolarHBondContact O-N 2.83Å; L1546-Q1548 PolarHBondContact O-NE2 3.25Å | ||
| 1547 | P | 88.4 | Confident | 84 | Confident | 44 Ų | 44 | 80.3 Ų | 80.3 | 29% | 0.286 | 37% | 0.374 | S | S | . | . | trans | -62.2 | 138.9 | 174.4 | 27.9 | -32 | 0 | 0 | 0 | 109.6 | E1507 I1553 | E1507-P1547 WeakPolarHBondContact O-CA 3.31Å; E1507-P1547 WeakPolarHBondContact O-CB 3.33Å; P1547-I1553 HydrophobicContact CB-CB 4.05Å; P1547-I1553 HydrophobicContact CG-CB 4.44Å | ||
| 1548 | Q | 83.5 | Confident | 84.4 | Confident | 133 Ų | 133 | 77.8 Ų | 77.8 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -90.7 | -10.3 | 172.9 | -57.7 | -58.2 | -50.9 | 0 | 0 | 111.5 | L1505 E1506 L1546 | L1505-Q1548 VanDerWaalsContact O-CG 3.31Å; L1505-Q1548 WeakPolarHBondContact O-CG 3.48Å; E1506-Q1548 PolarHBondContact O-N 2.8Å; L1546-Q1548 PolarHBondContact O-N 2.83Å; L1546-Q1548 PolarHBondContact O-NE2 3.25Å |
| 1549 | T | 77.1 | Confident | 84.9 | Confident | 39 Ų | 39 | 76.5 Ų | 76.5 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -100.4 | 147.6 | 176.1 | 56.4 | 0 | 0 | 0 | 0 | 112 | E1506 E1552 | E1506-T1549 HydrophobicContact CB-CG2 3.93Å; E1506-T1549 HydrophobicContact CG-CG2 4.3Å; E1506-T1549 PolarHBondContact O-N 2.83Å; T1549-E1552 WeakPolarHBondContact CB-OE2 3.47Å; T1549-E1552 VanDerWaalsContact CG2-OE2 3.32Å; T1549-E1552 WeakPolarHBondContact CG2-OE2 3.35Å; T1549-E1552 WeakPolarHBondContact OG1-CB 3.42Å; T1549-E1552 PolarHBondContact OG1-OE2 3.41Å |
| 1550 | R | 72.2 | Confident | 85 | Confident | 163 Ų | 163 | 78.6 Ų | 78.6 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -83.7 | 135.8 | 178.3 | -74.2 | -176.5 | 179 | -174.5 | -0.8 | 110 | D1410 F1411 E1552 | D1410-R1550 WeakPolarHBondContact OD2-CB 3.14Å; F1411-R1550 VanDerWaalsContact CE1-NH1 3.3Å; R1550-E1552 PolarHBondContact O-N 2.77Å |
| 1551 | N | 75.5 | Confident | 85.2 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 51.8 | 27.9 | 171.5 | -58.9 | -33.2 | 0 | 0 | 0 | 115.1 | D1410 Y1477 Y1478 | D1410-N1551 PolarHBondContact OD1-ND2 3.34Å; Y1477-N1551 VanDerWaalsContact CB-C 3.42Å; Y1477-N1551 WeakPolarHBondContact CB-O 3.47Å; Y1477-N1551 HydrophobicContact CD1-CB 3.96Å; Y1477-N1551 HydrophobicContact CD2-CB 4.33Å; Y1477-N1551 HydrophobicContact CE1-CB 4.05Å; Y1477-N1551 HydrophobicContact CE2-CB 4.43Å; Y1477-N1551 HydrophobicContact CG-CB 4.11Å; Y1477-N1551 PolarHBondContact OH-OD1 3.44Å; Y1478-N1551 WeakPolarHBondContact CE2-O 3.27Å |
| 1552 | E | 78.9 | Confident | 85.4 | Confident | 80 Ų | 80 | 78 Ų | 78 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -101.5 | -49.6 | 175.3 | -177.8 | 165.5 | -146 | 0 | 0 | 111.2 | G1476 Y1477 T1549 R1550 | G1476-E1552 CarbonylContact C-O 3.47Å; G1476-E1552 WeakPolarHBondContact CA-O 3.42Å; Y1477-E1552 WeakPolarHBondContact CB-O 3.39Å; Y1477-E1552 PolarHBondContact N-O 3.33Å; T1549-E1552 WeakPolarHBondContact CB-OE2 3.47Å; T1549-E1552 VanDerWaalsContact CG2-OE2 3.32Å; T1549-E1552 WeakPolarHBondContact CG2-OE2 3.35Å; T1549-E1552 WeakPolarHBondContact OG1-CB 3.42Å; T1549-E1552 PolarHBondContact OG1-OE2 3.41Å; R1550-E1552 PolarHBondContact O-N 2.77Å |
| 1553 | I | 86.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123 | 176.5 | -58.8 | -53.1 | 0 | 0 | 0 | 110.4 | V1474 Q1475 E1507 P1547 I1556 | V1474-I1553 HydrophobicContact CB-CD1 3.99Å; V1474-I1553 HydrophobicContact CB-CG2 4.12Å; V1474-I1553 HydrophobicContact CG1-CG2 4.38Å; V1474-I1553 HydrophobicContact CG2-CD1 4.04Å; Q1475-I1553 CarbonylContact O-C 3.58Å; E1507-I1553 HydrophobicContact CB-CD1 4.29Å; E1507-I1553 HydrophobicContact CB-CG1 3.82Å; E1507-I1553 HydrophobicContact CG-CD1 4.03Å; E1507-I1553 HydrophobicContact CG-CG1 3.91Å; P1547-I1553 HydrophobicContact CB-CB 4.05Å; P1547-I1553 HydrophobicContact CG-CB 4.44Å; I1553-I1556 HydrophobicContact CG2-CD1 4.4Å; I1553-I1556 HydrophobicContact CG2-CG1 3.7Å |
| 1554 | R | 82.7 | Confident | 85.7 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -44.2 | 176.9 | -154 | 178.1 | 176.2 | -176.9 | -1.1 | 112.4 | Q1475 Y1477 | Q1475-R1554 HydrophobicContact CG-CB 4.44Å; Q1475-R1554 PolarHBondContact O-N 2.62Å; Y1477-R1554 HydrophobicContact CD2-CB 4.3Å; Y1477-R1554 HydrophobicContact CD2-CG 4.25Å |
| 1555 | R | 88.5 | Confident | 85.9 | Confident | 127 Ų | 127 | 58 Ų | 58 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 142.5 | -169.1 | -67.3 | -174.7 | 177.3 | 174 | -1.5 | 110.2 | Q1475 W1483 | Q1475-R1555 HydrophobicContact CB-CB 4.29Å; Q1475-R1555 PolarHBondContact N-O 3.3Å; W1483-R1555 HydrophobicContact CH2-CB 3.95Å |
| 1556 | I | 92.1 | Very high | 85.5 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.5 | 175 | -53 | 168 | 0 | 0 | 0 | 106.2 | L1472 V1474 V1508 F1545 I1553 | L1472-I1556 HydrophobicContact CD1-CG2 3.81Å; L1472-I1556 HydrophobicContact CD2-CG2 3.84Å; L1472-I1556 HydrophobicContact CG-CG2 3.82Å; V1474-I1556 HydrophobicContact CG1-CG1 4.24Å; V1474-I1556 HydrophobicContact CG1-CG2 4.39Å; V1508-I1556 HydrophobicContact CB-CD1 4.15Å; V1508-I1556 HydrophobicContact CG1-CD1 3.8Å; V1508-I1556 HydrophobicContact CG1-CG1 4.06Å; V1508-I1556 HydrophobicContact CG1-CG2 3.88Å; F1545-I1556 HydrophobicContact CB-CD1 4.11Å; F1545-I1556 HydrophobicContact CB-CG2 4.03Å; I1553-I1556 HydrophobicContact CG2-CD1 4.4Å; I1553-I1556 HydrophobicContact CG2-CG1 3.7Å |
| 1557 | K | 92 | Very high | 85.2 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 143.1 | -177.4 | -172.8 | 179.5 | 175.9 | -175.6 | 0 | 112.2 | L1473 W1483 F1559 F1578 | L1473-K1557 PolarHBondContact N-O 3.1Å; L1473-K1557 PolarHBondContact O-N 2.69Å; W1483-K1557 HydrophobicContact CH2-CB 3.94Å; W1483-K1557 HydrophobicContact CZ3-CB 3.92Å; K1557-F1559 HydrophobicContact CB-CD2 4.41Å; K1557-F1559 HydrophobicContact CB-CE2 3.81Å; K1557-F1559 HydrophobicContact CB-CZ 4.45Å; K1557-F1559 HydrophobicContact CD-CE2 4.15Å; K1557-F1559 HydrophobicContact CD-CZ 4Å; K1557-F1559 HydrophobicContact CG-CD2 4.46Å; K1557-F1559 HydrophobicContact CG-CE2 4.06Å; K1557-F1559 HydrophobicContact CG-CZ 4.42Å; K1557-F1559 WeakPolarHBondContact O-CD2 3.38Å; K1557-F1578 HydrophobicContact CD-CZ 4.14Å |
| 1558 | W | 93.6 | Very high | 84.5 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 134.4 | 167.6 | -70.6 | 105.6 | 0 | 0 | 0 | 111.3 | N1465 E1470 V1471 L1472 V1539 F1545 | N1465-W1558 HydrophobicContact CB-CE3 4.3Å; N1465-W1558 HydrophobicContact CB-CH2 3.97Å; N1465-W1558 HydrophobicContact CB-CZ3 3.82Å; E1470-W1558 HydrophobicContact CB-CB 4.34Å; E1470-W1558 HydrophobicContact CB-CE3 3.9Å; V1471-W1558 VanDerWaalsContact C-CE3 3.41Å; L1472-W1558 HydrophobicContact CB-CD2 4.31Å; L1472-W1558 HydrophobicContact CB-CE3 4.03Å; L1472-W1558 HydrophobicContact CB-CH2 4.06Å; L1472-W1558 HydrophobicContact CB-CZ2 4.36Å; L1472-W1558 HydrophobicContact CB-CZ3 3.89Å; L1472-W1558 HydrophobicContact CD1-CD2 3.59Å; L1472-W1558 VanDerWaalsContact CD1-CE2 3.47Å; L1472-W1558 HydrophobicContact CD1-CE3 4.18Å; L1472-W1558 HydrophobicContact CD1-CG 3.83Å; L1472-W1558 HydrophobicContact CD1-CH2 4.46Å; L1472-W1558 HydrophobicContact CD1-CZ2 3.94Å; V1539-W1558 HydrophobicContact CB-CH2 4.07Å; V1539-W1558 HydrophobicContact CG1-CH2 3.94Å; V1539-W1558 HydrophobicContact CG1-CZ2 4.11Å; F1545-W1558 AromaticContact CE2-CZ2 3.77Å; F1545-W1558 HydrophobicContact CE2-CZ2 3.77Å; F1545-W1558 AromaticContact CE2-NE1 3.81Å; F1545-W1558 AromaticContact CZ-CZ2 3.87Å; F1545-W1558 HydrophobicContact CZ-CZ2 3.87Å |
| 1559 | F | 93.4 | Very high | 84 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.6 | 176.2 | -74.1 | -94.6 | 0 | 0 | 0 | 110.6 | E1470 V1471 L1473 W1483 K1557 I1561 L1564 I1573 F1578 F1583 | E1470-F1559 CarbonylContact C-O 3.41Å; E1470-F1559 VanDerWaalsContact CA-O 3.26Å; E1470-F1559 WeakPolarHBondContact CA-O 3.26Å; V1471-F1559 PolarHBondContact N-O 3.29Å; V1471-F1559 PolarHBondContact O-N 2.78Å; L1473-F1559 HydrophobicContact CB-CD2 3.91Å; L1473-F1559 HydrophobicContact CB-CE2 3.99Å; L1473-F1559 HydrophobicContact CD1-CB 4.42Å; L1473-F1559 HydrophobicContact CD1-CD2 3.66Å; L1473-F1559 HydrophobicContact CD1-CE2 4.07Å; L1473-F1559 HydrophobicContact CD1-CG 4.08Å; L1473-F1559 HydrophobicContact CG-CD2 3.95Å; L1473-F1559 HydrophobicContact CG-CE2 4.45Å; W1483-F1559 HydrophobicContact CD2-CE2 4.12Å; W1483-F1559 HydrophobicContact CD2-CZ 4.02Å; W1483-F1559 AromaticContact CE3-CE2 3.72Å; W1483-F1559 HydrophobicContact CE3-CE2 3.72Å; W1483-F1559 HydrophobicContact CE3-CZ 4.07Å; W1483-F1559 HydrophobicContact CH2-CE2 4.3Å; W1483-F1559 HydrophobicContact CH2-CZ 4.3Å; W1483-F1559 HydrophobicContact CZ2-CZ 4.26Å; W1483-F1559 AromaticContact CZ3-CE2 3.82Å; W1483-F1559 HydrophobicContact CZ3-CE2 3.82Å; W1483-F1559 HydrophobicContact CZ3-CZ 4.22Å; K1557-F1559 HydrophobicContact CB-CD2 4.41Å; K1557-F1559 HydrophobicContact CB-CE2 3.81Å; K1557-F1559 HydrophobicContact CB-CZ 4.45Å; K1557-F1559 HydrophobicContact CD-CE2 4.15Å; K1557-F1559 HydrophobicContact CD-CZ 4Å; K1557-F1559 HydrophobicContact CG-CD2 4.46Å; K1557-F1559 HydrophobicContact CG-CE2 4.06Å; K1557-F1559 HydrophobicContact CG-CZ 4.42Å; K1557-F1559 WeakPolarHBondContact O-CD2 3.38Å; F1559-I1561 PolarHBondContact O-N 3.31Å; F1559-L1564 HydrophobicContact CB-CD2 4.01Å; F1559-L1564 HydrophobicContact CB-CG 4.41Å; F1559-L1564 HydrophobicContact CG-CD2 4.41Å; F1559-I1573 HydrophobicContact CD1-CD1 3.92Å; F1559-I1573 HydrophobicContact CE1-CD1 4.19Å; F1559-F1578 HydrophobicContact CE1-CD1 4.45Å; F1559-F1578 AromaticContact CE1-CD2 3.87Å; F1559-F1578 HydrophobicContact CE1-CD2 3.87Å; F1559-F1578 HydrophobicContact CE1-CE1 4.21Å; F1559-F1578 AromaticContact CE1-CE2 3.6Å; F1559-F1578 HydrophobicContact CE1-CE2 3.6Å; F1559-F1578 HydrophobicContact CE1-CG 4.29Å; F1559-F1578 AromaticContact CE1-CZ 3.79Å; F1559-F1578 HydrophobicContact CE1-CZ 3.79Å; F1559-F1578 HydrophobicContact CZ-CE1 4.06Å; F1559-F1578 HydrophobicContact CZ-CE2 4.2Å; F1559-F1578 AromaticContact CZ-CZ 3.9Å; F1559-F1578 HydrophobicContact CZ-CZ 3.9Å; F1559-F1583 HydrophobicContact CD1-CE1 4.18Å; F1559-F1583 HydrophobicContact CD1-CZ 4.3Å; F1559-F1583 AromaticContact CE1-CE1 3.87Å; F1559-F1583 HydrophobicContact CE1-CE1 3.87Å; F1559-F1583 AromaticContact CE1-CZ 3.67Å; F1559-F1583 HydrophobicContact CE1-CZ 3.67Å; F1559-F1583 HydrophobicContact CE2-CE1 4.5Å; F1559-F1583 HydrophobicContact CZ-CE1 4.04Å; F1559-F1583 AromaticContact CZ-CZ 3.99Å; F1559-F1583 HydrophobicContact CZ-CZ 3.99Å |
| 1560 | P | 90.6 | Very high | 83.9 | Confident | 45 Ų | 45 | 63.9 Ų | 63.9 | 29% | 0.292 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 128.7 | 172.7 | -21.5 | 31.1 | 0 | 0 | 0 | 110.8 | D1562 S1563 L1564 | P1560-D1562 PolarHBondContact O-N 2.93Å; P1560-S1563 WeakPolarHBondContact CD-OG 3.38Å; P1560-S1563 PolarHBondContact O-N 2.92Å; P1560-S1563 PolarHBondContact O-OG 3.4Å; P1560-L1564 PolarHBondContact O-N 3.15Å |
| 1561 | I | 89.3 | Confident | 84 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -59.1 | -38.2 | -175.9 | -68 | 169.4 | 0 | 0 | 0 | 110.6 | V1464 S1469 V1471 F1559 S1563 L1564 I1593 K1594 T1597 | V1464-I1561 HydrophobicContact CG1-CD1 4.08Å; S1469-I1561 PolarHBondContact O-N 3.2Å; V1471-I1561 HydrophobicContact CB-CG1 4.21Å; V1471-I1561 HydrophobicContact CG1-CG1 4.41Å; F1559-I1561 PolarHBondContact O-N 3.31Å; I1561-S1563 VanDerWaalsContact C-N 3.31Å; I1561-S1563 PolarHBondContact O-N 3.34Å; I1561-L1564 PolarHBondContact O-N 3.17Å; I1561-I1593 HydrophobicContact CD1-CG2 3.93Å; I1561-I1593 HydrophobicContact CG1-CG2 4.21Å; I1561-I1593 HydrophobicContact CG2-CG2 3.91Å; I1561-K1594 HydrophobicContact CG2-CG 3.62Å; I1561-K1594 WeakPolarHBondContact O-CE 3.5Å; I1561-T1597 HydrophobicContact CD1-CG2 3.9Å |
| 1562 | D | 84.5 | Confident | 83.8 | Confident | 127 Ų | 127 | 60 Ų | 60 | 68% | 0.679 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -66.4 | -31.7 | 178.9 | -70.2 | -33 | 0 | 0 | 0 | 113.5 | P1560 L1564 K1594 | P1560-D1562 PolarHBondContact O-N 2.93Å; D1562-L1564 VanDerWaalsContact C-N 3.32Å; D1562-L1564 PolarHBondContact O-N 2.84Å; D1562-K1594 PolarHBondContact O-NZ 3.4Å |
| 1563 | S | 84.1 | Confident | 83.7 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -75.7 | -18 | 178.8 | 71.9 | 0 | 0 | 0 | 0 | 114 | P1560 I1561 S1572 | P1560-S1563 WeakPolarHBondContact CD-OG 3.38Å; P1560-S1563 PolarHBondContact O-N 2.92Å; P1560-S1563 PolarHBondContact O-OG 3.4Å; I1561-S1563 VanDerWaalsContact C-N 3.31Å; I1561-S1563 PolarHBondContact O-N 3.34Å; S1563-S1572 PolarHBondContact O-OG 3.41Å |
| 1564 | L | 88.9 | Confident | 83 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -69 | 133.9 | -174.8 | -74.6 | 174.2 | 0 | 0 | 0 | 112.3 | V1471 L1473 F1559 P1560 I1561 D1562 I1573 F1583 V1586 V1590 | V1471-L1564 HydrophobicContact CG1-CD1 3.43Å; V1471-L1564 VanDerWaalsContact CG1-CD1 3.43Å; L1473-L1564 HydrophobicContact CD1-CD2 3.98Å; F1559-L1564 HydrophobicContact CB-CD2 4.01Å; F1559-L1564 HydrophobicContact CB-CG 4.41Å; F1559-L1564 HydrophobicContact CG-CD2 4.41Å; P1560-L1564 PolarHBondContact O-N 3.15Å; I1561-L1564 PolarHBondContact O-N 3.17Å; D1562-L1564 VanDerWaalsContact C-N 3.32Å; D1562-L1564 PolarHBondContact O-N 2.84Å; L1564-I1573 HydrophobicContact CD2-CD1 3.88Å; L1564-F1583 HydrophobicContact CD2-CD1 4.03Å; L1564-F1583 HydrophobicContact CD2-CE1 4.1Å; L1564-V1586 HydrophobicContact CD1-CG1 4.26Å; L1564-V1586 HydrophobicContact CD2-CG1 4.45Å; L1564-V1590 HydrophobicContact CB-CG1 3.94Å; L1564-V1590 HydrophobicContact CB-CG2 4.01Å |
| 1565 | P | 87 | Confident | 82.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -72.3 | 131.8 | -178.4 | 30.2 | -35.5 | 0 | 0 | 0 | 110.7 | N1567 D1570 I1573 P1580 F1583 F1587 V1590 | P1565-N1567 VanDerWaalsContact C-N 3.33Å; P1565-D1570 HydrophobicContact CB-CB 3.83Å; P1565-D1570 WeakPolarHBondContact CB-O 3.47Å; P1565-I1573 HydrophobicContact CB-CG2 4.43Å; P1565-I1573 HydrophobicContact CG-CB 4.45Å; P1565-I1573 HydrophobicContact CG-CG2 3.95Å; P1565-P1580 HydrophobicContact CB-CB 4.46Å; P1565-F1583 HydrophobicContact CG-CB 3.8Å; P1565-F1583 HydrophobicContact CG-CD2 4.22Å; P1565-F1583 HydrophobicContact CG-CG 4.05Å; P1565-F1587 HydrophobicContact CB-CD1 4.45Å; P1565-F1587 HydrophobicContact CB-CE1 4.02Å; P1565-F1587 HydrophobicContact CG-CD1 4.16Å; P1565-F1587 HydrophobicContact CG-CE1 3.69Å; P1565-F1587 VanDerWaalsContact O-CD1 3.29Å; P1565-F1587 WeakPolarHBondContact O-CD1 3.16Å; P1565-V1590 WeakPolarHBondContact O-CG2 3.45Å | ||
| 1566 | C | 80.4 | Confident | 81.2 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -79.6 | -17.2 | 177.1 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | D1570 R1591 | C1566-D1570 PolarHBondContact N-OD2 2.92Å; C1566-R1591 HydrophobicContact CB-CG 4.36Å |
| 1567 | N | 80.1 | Confident | 80.3 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -161.1 | 177.4 | 179.8 | 62.3 | 63.1 | 0 | 0 | 0 | 110.7 | P1565 N1569 D1570 | P1565-N1567 VanDerWaalsContact C-N 3.33Å; N1567-N1569 PolarHBondContact O-N 3.38Å; N1567-N1569 VanDerWaalsContact O-N 3.13Å; N1567-N1569 WeakPolarHBondContact OD1-CA 3.43Å; N1567-N1569 WeakPolarHBondContact OD1-CB 3.2Å; N1567-N1569 PolarHBondContact OD1-N 3.32Å; N1567-D1570 WeakPolarHBondContact O-CB 3.45Å; N1567-D1570 PolarHBondContact O-N 2.93Å; N1567-D1570 VanDerWaalsContact O-N 3.17Å; N1567-D1570 PolarHBondContact OD1-N 2.92Å; N1567-D1570 VanDerWaalsContact OD1-N 3.11Å |
| 1568 | R | 74.2 | Confident | 79.7 | Confident | 169 Ų | 169 | 54.7 Ų | 54.7 | 64% | 0.638 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.7 | -178.5 | -67.1 | 179.1 | -177.9 | -176.5 | 0.5 | 114.8 | F1587 | R1568-F1587 HydrophobicContact CB-CE2 4.25Å; R1568-F1587 HydrophobicContact CG-CD2 4.26Å; R1568-F1587 HydrophobicContact CG-CE2 3.35Å; R1568-F1587 HydrophobicContact CG-CZ 3.96Å |
| 1569 | N | 73.5 | Confident | 79.1 | Confident | 142 Ų | 142 | 57.8 Ų | 57.8 | 76% | 0.759 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -2.7 | -176.8 | -57.1 | -2.2 | 0 | 0 | 0 | 112 | N1567 T1571 | N1567-N1569 PolarHBondContact O-N 3.38Å; N1567-N1569 VanDerWaalsContact O-N 3.13Å; N1567-N1569 WeakPolarHBondContact OD1-CA 3.43Å; N1567-N1569 WeakPolarHBondContact OD1-CB 3.2Å; N1567-N1569 PolarHBondContact OD1-N 3.32Å; N1569-T1571 PolarHBondContact O-N 2.83Å |
| 1570 | D | 73.4 | Confident | 78.3 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -82.3 | 105.8 | 179.7 | -166.4 | -9.7 | 0 | 0 | 0 | 109.1 | P1565 C1566 N1567 S1572 | P1565-D1570 HydrophobicContact CB-CB 3.83Å; P1565-D1570 WeakPolarHBondContact CB-O 3.47Å; C1566-D1570 PolarHBondContact N-OD2 2.92Å; N1567-D1570 WeakPolarHBondContact O-CB 3.45Å; N1567-D1570 PolarHBondContact O-N 2.93Å; N1567-D1570 VanDerWaalsContact O-N 3.17Å; N1567-D1570 PolarHBondContact OD1-N 2.92Å; N1567-D1570 VanDerWaalsContact OD1-N 3.11Å; D1570-S1572 VanDerWaalsContact C-N 3.28Å; D1570-S1572 PolarHBondContact O-N 3.44Å; D1570-S1572 WeakPolarHBondContact OD1-CB 3.22Å; D1570-S1572 PolarHBondContact OD1-N 3.16Å; D1570-S1572 PolarHBondContact OD1-OG 3.31Å | ||
| 1571 | T | 74.7 | Confident | 77.9 | Confident | 97 Ų | 97 | 65.1 Ų | 65.1 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -85.5 | 4.9 | -174.5 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | N1569 I1573 A1574 | N1569-T1571 PolarHBondContact O-N 2.83Å; T1571-I1573 PolarHBondContact O-N 3.47Å; T1571-A1574 WeakPolarHBondContact O-CB 3.28Å; T1571-A1574 PolarHBondContact O-N 2.99Å |
| 1572 | S | 71.2 | Confident | 77.7 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -52.3 | -31.2 | -177.7 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | S1563 D1570 | S1563-S1572 PolarHBondContact O-OG 3.41Å; D1570-S1572 VanDerWaalsContact C-N 3.28Å; D1570-S1572 PolarHBondContact O-N 3.44Å; D1570-S1572 WeakPolarHBondContact OD1-CB 3.22Å; D1570-S1572 PolarHBondContact OD1-N 3.16Å; D1570-S1572 PolarHBondContact OD1-OG 3.31Å |
| 1573 | I | 78.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -91.5 | -10.7 | -178.9 | -151.1 | 150.9 | 0 | 0 | 0 | 113.7 | F1559 L1564 P1565 T1571 D1575 F1576 F1578 P1580 F1583 | F1559-I1573 HydrophobicContact CD1-CD1 3.92Å; F1559-I1573 HydrophobicContact CE1-CD1 4.19Å; L1564-I1573 HydrophobicContact CD2-CD1 3.88Å; P1565-I1573 HydrophobicContact CB-CG2 4.43Å; P1565-I1573 HydrophobicContact CG-CB 4.45Å; P1565-I1573 HydrophobicContact CG-CG2 3.95Å; T1571-I1573 PolarHBondContact O-N 3.47Å; I1573-D1575 PolarHBondContact O-N 2.92Å; I1573-F1576 PolarHBondContact O-N 2.9Å; I1573-F1576 VanDerWaalsContact O-N 3.1Å; I1573-F1578 HydrophobicContact CG1-CB 4.23Å; I1573-F1578 HydrophobicContact CG1-CD2 4.24Å; I1573-F1578 HydrophobicContact CG2-CB 4.43Å; I1573-F1578 PolarHBondContact O-N 3.05Å; I1573-P1580 HydrophobicContact CG2-CB 4.38Å; I1573-P1580 HydrophobicContact CG2-CG 4.17Å; I1573-F1583 HydrophobicContact CD1-CD1 4.24Å; I1573-F1583 HydrophobicContact CD1-CD2 4.27Å; I1573-F1583 HydrophobicContact CD1-CE1 3.66Å; I1573-F1583 HydrophobicContact CD1-CE2 3.69Å; I1573-F1583 HydrophobicContact CD1-CZ 3.36Å; I1573-F1583 HydrophobicContact CG1-CE2 4.16Å; I1573-F1583 HydrophobicContact CG1-CZ 4.13Å; I1573-F1583 HydrophobicContact CG2-CD2 4.15Å; I1573-F1583 HydrophobicContact CG2-CE2 3.96Å |
| 1574 | A | 71.1 | Confident | 78 | Confident | 39 Ų | 39 | 63 Ų | 63 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -64.7 | -34.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1571 F1576 G1577 F1578 | T1571-A1574 WeakPolarHBondContact O-CB 3.28Å; T1571-A1574 PolarHBondContact O-N 2.99Å; A1574-F1576 PolarHBondContact O-N 2.96Å; A1574-F1576 VanDerWaalsContact O-N 3.15Å; A1574-G1577 PolarHBondContact O-N 3.49Å; A1574-F1578 WeakPolarHBondContact CA-O 3.16Å |
| 1575 | D | 67.5 | Low | 77.8 | Confident | 109 Ų | 109 | 64.5 Ų | 64.5 | 58% | 0.583 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -60.5 | -21.9 | 173.7 | -59.6 | -13.1 | 0 | 0 | 0 | 112.6 | I1573 | I1573-D1575 PolarHBondContact O-N 2.92Š|
| 1576 | F | 65.6 | Low | 77.9 | Confident | 114 Ų | 114 | 64.5 Ų | 64.5 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -97.5 | 9.1 | 175.5 | -62 | -89.2 | 0 | 0 | 0 | 113.1 | I1573 A1574 F1578 | I1573-F1576 PolarHBondContact O-N 2.9Å; I1573-F1576 VanDerWaalsContact O-N 3.1Å; A1574-F1576 PolarHBondContact O-N 2.96Å; A1574-F1576 VanDerWaalsContact O-N 3.15Å; F1576-F1578 HydrophobicContact CB-CD2 3.97Å; F1576-F1578 HydrophobicContact CB-CE2 4.24Å; F1576-F1578 WeakPolarHBondContact O-CD2 3.14Å; F1576-F1578 VanDerWaalsContact O-CE2 3.27Å; F1576-F1578 WeakPolarHBondContact O-CE2 3.29Å |
| 1577 | G | 74 | Confident | 78.2 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 18.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A1574 | A1574-G1577 PolarHBondContact O-N 3.49Š|
| 1578 | F | 78.8 | Confident | 78.4 | Confident | 44 Ų | 44 | 63 Ų | 63 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | trans | -111.8 | 146 | 177.6 | -57.7 | -87.8 | 0 | 0 | 0 | 112.7 | W1483 K1557 F1559 I1573 A1574 F1576 P1580 F1583 | W1483-F1578 HydrophobicContact CZ2-CE1 4.01Å; W1483-F1578 AromaticContact NE1-CD1 3.92Å; K1557-F1578 HydrophobicContact CD-CZ 4.14Å; F1559-F1578 HydrophobicContact CE1-CD1 4.45Å; F1559-F1578 AromaticContact CE1-CD2 3.87Å; F1559-F1578 HydrophobicContact CE1-CD2 3.87Å; F1559-F1578 HydrophobicContact CE1-CE1 4.21Å; F1559-F1578 AromaticContact CE1-CE2 3.6Å; F1559-F1578 HydrophobicContact CE1-CE2 3.6Å; F1559-F1578 HydrophobicContact CE1-CG 4.29Å; F1559-F1578 AromaticContact CE1-CZ 3.79Å; F1559-F1578 HydrophobicContact CE1-CZ 3.79Å; F1559-F1578 HydrophobicContact CZ-CE1 4.06Å; F1559-F1578 HydrophobicContact CZ-CE2 4.2Å; F1559-F1578 AromaticContact CZ-CZ 3.9Å; F1559-F1578 HydrophobicContact CZ-CZ 3.9Å; I1573-F1578 HydrophobicContact CG1-CB 4.23Å; I1573-F1578 HydrophobicContact CG1-CD2 4.24Å; I1573-F1578 HydrophobicContact CG2-CB 4.43Å; I1573-F1578 PolarHBondContact O-N 3.05Å; A1574-F1578 WeakPolarHBondContact CA-O 3.16Å; F1576-F1578 HydrophobicContact CB-CD2 3.97Å; F1576-F1578 HydrophobicContact CB-CE2 4.24Å; F1576-F1578 WeakPolarHBondContact O-CD2 3.14Å; F1576-F1578 VanDerWaalsContact O-CE2 3.27Å; F1576-F1578 WeakPolarHBondContact O-CE2 3.29Å; F1578-P1580 WeakPolarHBondContact O-CD 3.42Å; F1578-F1583 HydrophobicContact CB-CE2 3.62Å; F1578-F1583 HydrophobicContact CB-CZ 3.98Å; F1578-F1583 HydrophobicContact CD1-CZ 4.39Å; F1578-F1583 HydrophobicContact CG-CE2 4.27Å; F1578-F1583 HydrophobicContact CG-CZ 4.12Å | ||
| 1579 | N | 79.8 | Confident | 79.1 | Confident | 105 Ų | 105 | 55 Ų | 55 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | trans | -75.8 | 121.9 | 173.6 | -174 | -26.2 | 0 | 0 | 0 | 110.1 | R1581 G1582 | N1579-R1581 PolarHBondContact O-N 3.09Å; N1579-R1581 VanDerWaalsContact O-N 3.12Å; N1579-R1581 WeakPolarHBondContact OD1-CB 3.17Å; N1579-R1581 PolarHBondContact OD1-N 3.27Å; N1579-G1582 PolarHBondContact O-N 2.88Å | ||
| 1580 | P | 78.5 | Confident | 79.8 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -53.8 | -35.3 | 179 | -25.5 | 32.7 | 0 | 0 | 0 | 113.2 | P1565 I1573 F1578 G1582 F1583 F1587 | P1565-P1580 HydrophobicContact CB-CB 4.46Å; I1573-P1580 HydrophobicContact CG2-CB 4.38Å; I1573-P1580 HydrophobicContact CG2-CG 4.17Å; F1578-P1580 WeakPolarHBondContact O-CD 3.42Å; P1580-G1582 PolarHBondContact O-N 2.87Å; P1580-G1582 VanDerWaalsContact O-N 3.14Å; P1580-F1583 PolarHBondContact O-N 3.4Å; P1580-F1587 WeakPolarHBondContact O-CE1 3.22Å; P1580-F1587 WeakPolarHBondContact O-CZ 3.47Å |
| 1581 | R | 80.7 | Confident | 80.4 | Confident | 185 Ų | 185 | 54.2 Ų | 54.2 | 70% | 0.698 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -61 | -24.5 | 179.5 | -64.2 | -176 | 179.8 | 172.8 | 2.6 | 113.2 | N1579 F1583 F1584 | N1579-R1581 PolarHBondContact O-N 3.09Å; N1579-R1581 VanDerWaalsContact O-N 3.12Å; N1579-R1581 WeakPolarHBondContact OD1-CB 3.17Å; N1579-R1581 PolarHBondContact OD1-N 3.27Å; R1581-F1583 PolarHBondContact O-N 2.85Å; R1581-F1584 WeakPolarHBondContact O-CD1 3.5Å |
| 1582 | G | 85.4 | Confident | 80.7 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -68.1 | -15.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | S1481 S1482 W1483 N1579 P1580 | S1481-G1582 WeakPolarHBondContact O-CA 3.23Å; S1482-G1582 WeakPolarHBondContact CA-O 3.42Å; W1483-G1582 PolarHBondContact N-O 3.41Å; N1579-G1582 PolarHBondContact O-N 2.88Å; P1580-G1582 PolarHBondContact O-N 2.87Å; P1580-G1582 VanDerWaalsContact O-N 3.14Å |
| 1583 | F | 89.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -100.8 | 21.2 | -177.3 | -64.4 | -95.1 | 0 | 0 | 0 | 113.1 | L1473 W1483 F1559 L1564 P1565 I1573 F1578 P1580 R1581 M1585 V1586 F1587 | L1473-F1583 HydrophobicContact CD1-CD1 3.92Å; L1473-F1583 HydrophobicContact CD1-CE1 3.77Å; W1483-F1583 HydrophobicContact CB-CD1 3.91Å; W1483-F1583 HydrophobicContact CB-CE1 3.8Å; W1483-F1583 HydrophobicContact CB-CZ 4.34Å; W1483-F1583 AromaticContact CD1-CZ 3.94Å; W1483-F1583 HydrophobicContact CG-CE1 4.01Å; W1483-F1583 HydrophobicContact CG-CZ 4.13Å; F1559-F1583 HydrophobicContact CD1-CE1 4.18Å; F1559-F1583 HydrophobicContact CD1-CZ 4.3Å; F1559-F1583 AromaticContact CE1-CE1 3.87Å; F1559-F1583 HydrophobicContact CE1-CE1 3.87Å; F1559-F1583 AromaticContact CE1-CZ 3.67Å; F1559-F1583 HydrophobicContact CE1-CZ 3.67Å; F1559-F1583 HydrophobicContact CE2-CE1 4.5Å; F1559-F1583 HydrophobicContact CZ-CE1 4.04Å; F1559-F1583 AromaticContact CZ-CZ 3.99Å; F1559-F1583 HydrophobicContact CZ-CZ 3.99Å; L1564-F1583 HydrophobicContact CD2-CD1 4.03Å; L1564-F1583 HydrophobicContact CD2-CE1 4.1Å; P1565-F1583 HydrophobicContact CG-CB 3.8Å; P1565-F1583 HydrophobicContact CG-CD2 4.22Å; P1565-F1583 HydrophobicContact CG-CG 4.05Å; I1573-F1583 HydrophobicContact CD1-CD1 4.24Å; I1573-F1583 HydrophobicContact CD1-CD2 4.27Å; I1573-F1583 HydrophobicContact CD1-CE1 3.66Å; I1573-F1583 HydrophobicContact CD1-CE2 3.69Å; I1573-F1583 HydrophobicContact CD1-CZ 3.36Å; I1573-F1583 HydrophobicContact CG1-CE2 4.16Å; I1573-F1583 HydrophobicContact CG1-CZ 4.13Å; I1573-F1583 HydrophobicContact CG2-CD2 4.15Å; I1573-F1583 HydrophobicContact CG2-CE2 3.96Å; F1578-F1583 HydrophobicContact CB-CE2 3.62Å; F1578-F1583 HydrophobicContact CB-CZ 3.98Å; F1578-F1583 HydrophobicContact CD1-CZ 4.39Å; F1578-F1583 HydrophobicContact CG-CE2 4.27Å; F1578-F1583 HydrophobicContact CG-CZ 4.12Å; P1580-F1583 PolarHBondContact O-N 3.4Å; R1581-F1583 PolarHBondContact O-N 2.85Å; F1583-M1585 PolarHBondContact O-N 3.12Å; F1583-M1585 VanDerWaalsContact O-N 3.13Å; F1583-V1586 HydrophobicContact CB-CB 4.27Å; F1583-V1586 HydrophobicContact CB-CG2 4.39Å; F1583-V1586 HydrophobicContact CD1-CG2 4.26Å; F1583-V1586 WeakPolarHBondContact O-CA 3.37Å; F1583-V1586 WeakPolarHBondContact O-CB 3.38Å; F1583-V1586 PolarHBondContact O-N 3.19Å; F1583-F1587 HydrophobicContact CB-CD1 4.26Å; F1583-F1587 HydrophobicContact CB-CE1 3.78Å; F1583-F1587 WeakPolarHBondContact O-CD1 3.27Å; F1583-F1587 WeakPolarHBondContact O-CE1 3.23Å; F1583-F1587 PolarHBondContact O-N 3.37Å; F1583-F1587 VanDerWaalsContact O-N 3.16Å |
| 1584 | F | 84.5 | Confident | 81.8 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26.5 | -174.6 | 74.2 | -85.1 | 0 | 0 | 0 | 114.6 | S1482 R1581 V1586 F1587 | S1482-F1584 VanDerWaalsContact OG-CE1 3.3Å; S1482-F1584 WeakPolarHBondContact OG-CE1 3.27Å; R1581-F1584 WeakPolarHBondContact O-CD1 3.5Å; F1584-V1586 VanDerWaalsContact C-N 3.26Å; F1584-F1587 VanDerWaalsContact CA-CE2 3.42Å; F1584-F1587 HydrophobicContact CB-CD2 4.24Å; F1584-F1587 HydrophobicContact CB-CE2 3.83Å; F1584-F1587 HydrophobicContact CB-CZ 4.43Å |
| 1585 | M | 85.5 | Confident | 82.2 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -12.8 | 173.8 | -65.4 | -61.1 | -72.9 | 0 | 0 | 113.2 | L1526 L1531 F1583 F1589 | L1526-M1585 HydrophobicContact CD1-CE 3.84Å; L1526-M1585 HydrophobicContact CD1-SD 4.26Å; L1531-M1585 HydrophobicContact CD2-CE 4.39Å; F1583-M1585 PolarHBondContact O-N 3.12Å; F1583-M1585 VanDerWaalsContact O-N 3.13Å; M1585-F1589 WeakPolarHBondContact O-CE2 3.34Å |
| 1586 | V | 89.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -36 | -175.9 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | L1473 F1485 L1564 F1583 F1584 P1588 F1589 V1590 | L1473-V1586 HydrophobicContact CD1-CG2 4.12Å; L1473-V1586 HydrophobicContact CD2-CG2 3.99Å; F1485-V1586 HydrophobicContact CE2-CB 4.35Å; F1485-V1586 HydrophobicContact CE2-CG1 3.89Å; F1485-V1586 HydrophobicContact CE2-CG2 4.44Å; F1485-V1586 HydrophobicContact CZ-CG1 3.75Å; L1564-V1586 HydrophobicContact CD1-CG1 4.26Å; L1564-V1586 HydrophobicContact CD2-CG1 4.45Å; F1583-V1586 HydrophobicContact CB-CB 4.27Å; F1583-V1586 HydrophobicContact CB-CG2 4.39Å; F1583-V1586 HydrophobicContact CD1-CG2 4.26Å; F1583-V1586 WeakPolarHBondContact O-CA 3.37Å; F1583-V1586 WeakPolarHBondContact O-CB 3.38Å; F1583-V1586 PolarHBondContact O-N 3.19Å; F1584-V1586 VanDerWaalsContact C-N 3.26Å; V1586-P1588 VanDerWaalsContact C-N 3.32Å; V1586-P1588 WeakPolarHBondContact O-CD 3.06Å; V1586-P1588 VanDerWaalsContact O-N 3.08Å; V1586-F1589 PolarHBondContact O-N 3.23Å; V1586-V1590 HydrophobicContact CG1-CG2 3.8Å; V1586-V1590 WeakPolarHBondContact O-CG2 3.25Å; V1586-V1590 PolarHBondContact O-N 2.77Å |
| 1587 | F | 86.8 | Confident | 83.6 | Confident | 25 Ų | 25 | 48 Ų | 48 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -43.7 | -45.4 | -176.5 | -54.9 | -27.9 | 0 | 0 | 0 | 115.4 | P1565 R1568 P1580 F1583 F1584 F1589 V1590 | P1565-F1587 HydrophobicContact CB-CD1 4.45Å; P1565-F1587 HydrophobicContact CB-CE1 4.02Å; P1565-F1587 HydrophobicContact CG-CD1 4.16Å; P1565-F1587 HydrophobicContact CG-CE1 3.69Å; P1565-F1587 VanDerWaalsContact O-CD1 3.29Å; P1565-F1587 WeakPolarHBondContact O-CD1 3.16Å; R1568-F1587 HydrophobicContact CB-CE2 4.25Å; R1568-F1587 HydrophobicContact CG-CD2 4.26Å; R1568-F1587 HydrophobicContact CG-CE2 3.35Å; R1568-F1587 HydrophobicContact CG-CZ 3.96Å; P1580-F1587 WeakPolarHBondContact O-CE1 3.22Å; P1580-F1587 WeakPolarHBondContact O-CZ 3.47Å; F1583-F1587 HydrophobicContact CB-CD1 4.26Å; F1583-F1587 HydrophobicContact CB-CE1 3.78Å; F1583-F1587 WeakPolarHBondContact O-CD1 3.27Å; F1583-F1587 WeakPolarHBondContact O-CE1 3.23Å; F1583-F1587 PolarHBondContact O-N 3.37Å; F1583-F1587 VanDerWaalsContact O-N 3.16Å; F1584-F1587 VanDerWaalsContact CA-CE2 3.42Å; F1584-F1587 HydrophobicContact CB-CD2 4.24Å; F1584-F1587 HydrophobicContact CB-CE2 3.83Å; F1584-F1587 HydrophobicContact CB-CZ 4.43Å; F1587-F1589 PolarHBondContact O-N 2.82Å; F1587-V1590 PolarHBondContact O-N 2.94Å |
| 1588 | P | 84.6 | Confident | 83.9 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -17.3 | -175.4 | -19.3 | 32.2 | 0 | 0 | 0 | 114.1 | R1524 L1526 V1586 F1592 | R1524-P1588 HydrophobicContact CG-CB 4.37Å; R1524-P1588 PolarHBondContact NH2-O 3.31Å; L1526-P1588 HydrophobicContact CD2-CG 4.07Å; V1586-P1588 VanDerWaalsContact C-N 3.32Å; V1586-P1588 WeakPolarHBondContact O-CD 3.06Å; V1586-P1588 VanDerWaalsContact O-N 3.08Å; P1588-F1592 WeakPolarHBondContact O-CD2 3.4Å |
| 1589 | F | 88.5 | Confident | 83.8 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -107.9 | -22.9 | -171.7 | -52.8 | -81.3 | 0 | 0 | 0 | 113 | I1462 F1485 A1522 R1524 L1526 L1531 L1533 M1585 V1586 F1587 R1591 F1592 I1593 | I1462-F1589 HydrophobicContact CD1-CB 4.47Å; F1485-F1589 HydrophobicContact CD2-CD2 4.27Å; F1485-F1589 HydrophobicContact CE2-CB 3.98Å; F1485-F1589 AromaticContact CE2-CD2 3.85Å; F1485-F1589 HydrophobicContact CE2-CD2 3.85Å; F1485-F1589 HydrophobicContact CE2-CG 4.11Å; F1485-F1589 HydrophobicContact CZ-CB 4.47Å; A1522-F1589 HydrophobicContact CB-CD1 4.09Å; A1522-F1589 HydrophobicContact CB-CE1 3.98Å; R1524-F1589 HydrophobicContact CB-CE1 4.25Å; R1524-F1589 HydrophobicContact CB-CZ 3.96Å; R1524-F1589 HydrophobicContact CG-CE1 3.7Å; R1524-F1589 HydrophobicContact CG-CZ 3.84Å; L1526-F1589 HydrophobicContact CD1-CE2 4.43Å; L1531-F1589 HydrophobicContact CD2-CE2 3.99Å; L1531-F1589 HydrophobicContact CD2-CZ 3.86Å; L1531-F1589 HydrophobicContact CG-CZ 4.3Å; L1533-F1589 HydrophobicContact CD1-CD1 4.09Å; L1533-F1589 HydrophobicContact CD1-CD2 4.14Å; L1533-F1589 HydrophobicContact CD1-CE1 3.81Å; L1533-F1589 HydrophobicContact CD1-CE2 3.87Å; L1533-F1589 HydrophobicContact CD1-CG 4.25Å; L1533-F1589 HydrophobicContact CD1-CZ 3.7Å; L1533-F1589 HydrophobicContact CG-CE1 4.49Å; L1533-F1589 HydrophobicContact CG-CZ 4.47Å; M1585-F1589 WeakPolarHBondContact O-CE2 3.34Å; V1586-F1589 PolarHBondContact O-N 3.23Å; F1587-F1589 PolarHBondContact O-N 2.82Å; F1589-R1591 PolarHBondContact O-N 2.77Å; F1589-F1592 PolarHBondContact O-N 3.47Å; F1589-F1592 VanDerWaalsContact O-N 3.08Å; F1589-I1593 HydrophobicContact CB-CD1 4.04Å; F1589-I1593 WeakPolarHBondContact O-CG1 2.95Å; F1589-I1593 PolarHBondContact O-N 3.17Å |
| 1590 | V | 88.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.6 | -50 | -171.7 | 178.9 | 0 | 0 | 0 | 0 | 113.2 | L1564 P1565 V1586 F1587 F1592 I1593 K1594 | L1564-V1590 HydrophobicContact CB-CG1 3.94Å; L1564-V1590 HydrophobicContact CB-CG2 4.01Å; P1565-V1590 WeakPolarHBondContact O-CG2 3.45Å; V1586-V1590 HydrophobicContact CG1-CG2 3.8Å; V1586-V1590 WeakPolarHBondContact O-CG2 3.25Å; V1586-V1590 PolarHBondContact O-N 2.77Å; F1587-V1590 PolarHBondContact O-N 2.94Å; V1590-F1592 PolarHBondContact O-N 3.16Å; V1590-I1593 PolarHBondContact O-N 3.34Å; V1590-K1594 HydrophobicContact CG1-CD 4.1Å; V1590-K1594 HydrophobicContact CG1-CG 4.46Å; V1590-K1594 WeakPolarHBondContact O-CG 3.39Å; V1590-K1594 PolarHBondContact O-N 3.37Å |
| 1591 | R | 84.4 | Confident | 83.5 | Confident | 168 Ų | 168 | 46.6 Ų | 46.6 | 63% | 0.634 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -59.7 | -35.3 | -179 | -70.3 | -176.7 | 178.5 | 172 | -1.2 | 112.4 | C1566 F1589 K1595 | C1566-R1591 HydrophobicContact CB-CG 4.36Å; F1589-R1591 PolarHBondContact O-N 2.77Å; R1591-K1595 WeakPolarHBondContact O-CB 3.21Å; R1591-K1595 PolarHBondContact O-N 2.98Å |
| 1592 | F | 82.4 | Confident | 83.2 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 28% | 0.281 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.7 | -42.1 | -179.3 | -63.9 | -85.9 | 0 | 0 | 0 | 111.3 | F1521 P1588 F1589 V1590 K1594 K1595 Y1596 F1672 | F1521-F1592 HydrophobicContact CZ-CB 4.48Å; P1588-F1592 WeakPolarHBondContact O-CD2 3.4Å; F1589-F1592 PolarHBondContact O-N 3.47Å; F1589-F1592 VanDerWaalsContact O-N 3.08Å; V1590-F1592 PolarHBondContact O-N 3.16Å; F1592-K1594 VanDerWaalsContact C-N 3.35Å; F1592-K1594 PolarHBondContact O-N 2.73Å; F1592-K1595 PolarHBondContact O-N 2.79Å; F1592-Y1596 VanDerWaalsContact O-CB 3.31Å; F1592-Y1596 WeakPolarHBondContact O-CB 3.47Å; F1592-Y1596 PolarHBondContact O-N 3.45Å; F1592-F1672 HydrophobicContact CB-CZ 4.43Å; F1592-F1672 HydrophobicContact CD1-CD1 4.14Å; F1592-F1672 AromaticContact CD1-CE1 3.73Å; F1592-F1672 HydrophobicContact CD1-CE1 3.73Å; F1592-F1672 HydrophobicContact CD1-CZ 4.22Å; F1592-F1672 HydrophobicContact CE1-CD1 4.16Å; F1592-F1672 HydrophobicContact CE1-CE1 4.12Å; F1592-F1672 HydrophobicContact CG-CE1 4.12Å; F1592-F1672 HydrophobicContact CG-CZ 4.47Å |
| 1593 | I | 84.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 175 | -62.6 | 164.3 | 0 | 0 | 0 | 110 | I1462 F1485 I1561 F1589 V1590 K1595 Y1596 T1597 | I1462-I1593 HydrophobicContact CD1-CD1 4.14Å; I1462-I1593 HydrophobicContact CD1-CG1 4.34Å; I1462-I1593 HydrophobicContact CG2-CD1 3.83Å; I1462-I1593 HydrophobicContact CG2-CG1 4.24Å; F1485-I1593 HydrophobicContact CE1-CD1 4.37Å; F1485-I1593 HydrophobicContact CZ-CD1 3.7Å; I1561-I1593 HydrophobicContact CD1-CG2 3.93Å; I1561-I1593 HydrophobicContact CG1-CG2 4.21Å; I1561-I1593 HydrophobicContact CG2-CG2 3.91Å; F1589-I1593 HydrophobicContact CB-CD1 4.04Å; F1589-I1593 WeakPolarHBondContact O-CG1 2.95Å; F1589-I1593 PolarHBondContact O-N 3.17Å; V1590-I1593 PolarHBondContact O-N 3.34Å; I1593-K1595 PolarHBondContact O-N 2.89Å; I1593-Y1596 PolarHBondContact O-N 3.38Å; I1593-T1597 HydrophobicContact CG2-CG2 4.44Å; I1593-T1597 WeakPolarHBondContact O-CB 3.44Å; I1593-T1597 WeakPolarHBondContact O-CG2 3.39Å; I1593-T1597 PolarHBondContact O-N 2.7Å; I1593-T1597 PolarHBondContact O-OG1 3.16Å |
| 1594 | K | 86.2 | Confident | 81.5 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 175.8 | -76.7 | -178.3 | 178.1 | -169.2 | 0 | 112 | I1561 D1562 V1590 F1592 T1597 T1598 | I1561-K1594 HydrophobicContact CG2-CG 3.62Å; I1561-K1594 WeakPolarHBondContact O-CE 3.5Å; D1562-K1594 PolarHBondContact O-NZ 3.4Å; V1590-K1594 HydrophobicContact CG1-CD 4.1Å; V1590-K1594 HydrophobicContact CG1-CG 4.46Å; V1590-K1594 WeakPolarHBondContact O-CG 3.39Å; V1590-K1594 PolarHBondContact O-N 3.37Å; F1592-K1594 VanDerWaalsContact C-N 3.35Å; F1592-K1594 PolarHBondContact O-N 2.73Å; K1594-T1597 PolarHBondContact O-OG1 2.86Å; K1594-T1597 VanDerWaalsContact O-OG1 3.09Å; K1594-T1598 WeakPolarHBondContact O-CB 3.3Å; K1594-T1598 PolarHBondContact O-N 2.93Å; K1594-T1598 PolarHBondContact O-OG1 3.23Å |
| 1595 | K | 81.2 | Confident | 80.8 | Confident | 122 Ų | 122 | 48.6 Ų | 48.6 | 53% | 0.53 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.4 | -43.8 | -179.8 | -164.8 | 179.7 | 172.5 | -171 | 0 | 111.8 | R1591 F1592 I1593 S1599 L1671 | R1591-K1595 WeakPolarHBondContact O-CB 3.21Å; R1591-K1595 PolarHBondContact O-N 2.98Å; F1592-K1595 PolarHBondContact O-N 2.79Å; I1593-K1595 PolarHBondContact O-N 2.89Å; K1595-S1599 WeakPolarHBondContact O-CB 3.41Å; K1595-S1599 PolarHBondContact O-N 3.32Å; K1595-S1599 PolarHBondContact O-OG 3.11Å; K1595-S1599 VanDerWaalsContact O-OG 3.08Å; K1595-L1671 HydrophobicContact CB-CD2 4.16Å; K1595-L1671 HydrophobicContact CD-CD2 3.57Å; K1595-L1671 HydrophobicContact CG-CD2 3.55Å |
| 1596 | Y | 80.8 | Confident | 80.1 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -51.1 | 179.3 | 177.3 | -93.6 | 0 | 0 | 0 | 112.1 | F1521 L1535 F1592 I1593 T1598 S1599 V1600 P1668 L1671 | F1521-Y1596 HydrophobicContact CE2-CD2 4.3Å; F1521-Y1596 HydrophobicContact CE2-CG 4.41Å; L1535-Y1596 HydrophobicContact CD2-CD1 3.4Å; L1535-Y1596 HydrophobicContact CD2-CD2 4.36Å; L1535-Y1596 HydrophobicContact CD2-CE1 3.33Å; L1535-Y1596 HydrophobicContact CD2-CE2 4.32Å; L1535-Y1596 HydrophobicContact CD2-CG 3.93Å; F1592-Y1596 VanDerWaalsContact O-CB 3.31Å; F1592-Y1596 WeakPolarHBondContact O-CB 3.47Å; F1592-Y1596 PolarHBondContact O-N 3.45Å; I1593-Y1596 PolarHBondContact O-N 3.38Å; Y1596-T1598 VanDerWaalsContact C-N 3.34Å; Y1596-T1598 PolarHBondContact O-N 3.01Å; Y1596-S1599 PolarHBondContact O-N 3.29Å; Y1596-V1600 HydrophobicContact CD1-CG2 4.2Å; Y1596-V1600 HydrophobicContact CD2-CG2 4.44Å; Y1596-V1600 HydrophobicContact CE1-CG2 3.77Å; Y1596-V1600 HydrophobicContact CE2-CG2 4.02Å; Y1596-V1600 WeakPolarHBondContact O-CG2 3.46Å; Y1596-V1600 PolarHBondContact O-N 2.97Å; Y1596-P1668 HydrophobicContact CD2-CB 4.22Å; Y1596-P1668 HydrophobicContact CE2-CB 3.75Å; Y1596-P1668 HydrophobicContact CE2-CG 3.82Å; Y1596-L1671 HydrophobicContact CD2-CD1 4.37Å |
| 1597 | T | 81.6 | Confident | 78.9 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | -180 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | V1464 L1468 I1561 I1593 K1594 V1600 Q1601 | V1464-T1597 HydrophobicContact CG1-CG2 4.48Å; L1468-T1597 HydrophobicContact CB-CG2 4.12Å; I1561-T1597 HydrophobicContact CD1-CG2 3.9Å; I1593-T1597 HydrophobicContact CG2-CG2 4.44Å; I1593-T1597 WeakPolarHBondContact O-CB 3.44Å; I1593-T1597 WeakPolarHBondContact O-CG2 3.39Å; I1593-T1597 PolarHBondContact O-N 2.7Å; I1593-T1597 PolarHBondContact O-OG1 3.16Å; K1594-T1597 PolarHBondContact O-OG1 2.86Å; K1594-T1597 VanDerWaalsContact O-OG1 3.09Å; T1597-V1600 PolarHBondContact O-N 2.9Å; T1597-Q1601 WeakPolarHBondContact O-CB 3.3Å; T1597-Q1601 WeakPolarHBondContact O-CG 3.3Å; T1597-Q1601 PolarHBondContact O-N 3.21Å |
| 1598 | T | 79.5 | Confident | 77.8 | Confident | 64 Ų | 64 | 53.7 Ų | 53.7 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 175.5 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | K1594 Y1596 V1600 Q1601 Q1602 | K1594-T1598 WeakPolarHBondContact O-CB 3.3Å; K1594-T1598 PolarHBondContact O-N 2.93Å; K1594-T1598 PolarHBondContact O-OG1 3.23Å; Y1596-T1598 VanDerWaalsContact C-N 3.34Å; Y1596-T1598 PolarHBondContact O-N 3.01Å; T1598-V1600 VanDerWaalsContact C-N 3.34Å; T1598-V1600 PolarHBondContact O-N 3.49Å; T1598-Q1601 PolarHBondContact O-N 3.42Å; T1598-Q1602 WeakPolarHBondContact O-CB 3.45Å; T1598-Q1602 WeakPolarHBondContact O-CG 3.39Å; T1598-Q1602 PolarHBondContact O-N 3Å |
| 1599 | S | 76.7 | Confident | 76.7 | Confident | 40 Ų | 40 | 58 Ų | 58 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.7 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | K1595 Y1596 A1603 | K1595-S1599 WeakPolarHBondContact O-CB 3.41Å; K1595-S1599 PolarHBondContact O-N 3.32Å; K1595-S1599 PolarHBondContact O-OG 3.11Å; K1595-S1599 VanDerWaalsContact O-OG 3.08Å; Y1596-S1599 PolarHBondContact O-N 3.29Å; S1599-A1603 VanDerWaalsContact O-CB 3.31Å; S1599-A1603 WeakPolarHBondContact O-CB 3.2Å; S1599-A1603 PolarHBondContact O-N 3.39Å |
| 1600 | V | 76 | Confident | 75.2 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 177.6 | 166.7 | 0 | 0 | 0 | 0 | 111.3 | L1468 Y1596 T1597 T1598 A1603 M1604 L1663 | L1468-V1600 HydrophobicContact CD1-CB 4.18Å; L1468-V1600 HydrophobicContact CD1-CG1 3.39Å; Y1596-V1600 HydrophobicContact CD1-CG2 4.2Å; Y1596-V1600 HydrophobicContact CD2-CG2 4.44Å; Y1596-V1600 HydrophobicContact CE1-CG2 3.77Å; Y1596-V1600 HydrophobicContact CE2-CG2 4.02Å; Y1596-V1600 WeakPolarHBondContact O-CG2 3.46Å; Y1596-V1600 PolarHBondContact O-N 2.97Å; T1597-V1600 PolarHBondContact O-N 2.9Å; T1598-V1600 VanDerWaalsContact C-N 3.34Å; T1598-V1600 PolarHBondContact O-N 3.49Å; V1600-A1603 PolarHBondContact O-N 3.25Å; V1600-M1604 PolarHBondContact O-N 2.88Å; V1600-L1663 HydrophobicContact CB-CD2 4.38Å; V1600-L1663 HydrophobicContact CG1-CD2 3.7Å; V1600-L1663 HydrophobicContact CG2-CD2 4.43Å |
| 1601 | Q | 75.6 | Confident | 73.5 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 176.3 | -75.7 | 176.1 | -14.4 | 0 | 0 | 111.8 | S1467 L1468 T1597 T1598 M1604 L1605 | S1467-Q1601 PolarHBondContact O-NE2 3.29Å; L1468-Q1601 HydrophobicContact CD1-CG 4.31Å; T1597-Q1601 WeakPolarHBondContact O-CB 3.3Å; T1597-Q1601 WeakPolarHBondContact O-CG 3.3Å; T1597-Q1601 PolarHBondContact O-N 3.21Å; T1598-Q1601 PolarHBondContact O-N 3.42Å; Q1601-M1604 PolarHBondContact O-N 2.89Å; Q1601-L1605 PolarHBondContact O-N 3.32Å |
| 1602 | Q | 74.4 | Confident | 71.9 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.2 | -76.4 | -179.6 | -4.4 | 0 | 0 | 112.2 | T1598 L1605 N1606 | T1598-Q1602 WeakPolarHBondContact O-CB 3.45Å; T1598-Q1602 WeakPolarHBondContact O-CG 3.39Å; T1598-Q1602 PolarHBondContact O-N 3Å; Q1602-L1605 PolarHBondContact O-N 3.06Å; Q1602-N1606 WeakPolarHBondContact O-CB 3.45Å; Q1602-N1606 PolarHBondContact O-N 3.34Å; Q1602-N1606 PolarHBondContact O-ND2 3.09Å |
| 1603 | A | 71.9 | Confident | 70.3 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1599 V1600 N1606 G1607 I1666 | S1599-A1603 VanDerWaalsContact O-CB 3.31Å; S1599-A1603 WeakPolarHBondContact O-CB 3.2Å; S1599-A1603 PolarHBondContact O-N 3.39Å; V1600-A1603 PolarHBondContact O-N 3.25Å; A1603-N1606 PolarHBondContact O-N 2.88Å; A1603-G1607 PolarHBondContact O-N 2.91Å; A1603-I1666 HydrophobicContact CB-CD1 3.35Å |
| 1604 | M | 67.7 | Low | 68.6 | Low | 72 Ų | 72 | 68.1 Ų | 68.1 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 171.6 | -87.8 | -173.3 | 157.2 | 0 | 0 | 111.4 | V1600 Q1601 N1606 G1607 I1608 L1663 | V1600-M1604 PolarHBondContact O-N 2.88Å; Q1601-M1604 PolarHBondContact O-N 2.89Å; M1604-N1606 PolarHBondContact O-N 3.42Å; M1604-G1607 PolarHBondContact O-N 3.45Å; M1604-I1608 VanDerWaalsContact O-CG1 3.29Å; M1604-I1608 WeakPolarHBondContact O-CG1 3.24Å; M1604-I1608 PolarHBondContact O-N 3.32Å; M1604-L1663 HydrophobicContact CE-CD1 3.46Å; M1604-L1663 VanDerWaalsContact CE-CD1 3.46Å; M1604-L1663 HydrophobicContact CG-CD1 3.76Å; M1604-L1663 HydrophobicContact CG-CD2 4.34Å; M1604-L1663 HydrophobicContact CG-CG 4.35Å; M1604-L1663 HydrophobicContact SD-CD1 4.29Å |
| 1605 | L | 69.9 | Low | 66.7 | Low | 105 Ų | 105 | 68.1 Ų | 68.1 | 55% | 0.55 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 177 | -83.2 | 159.2 | 0 | 0 | 0 | 112.2 | Q1601 Q1602 I1608 Q1609 | Q1601-L1605 PolarHBondContact O-N 3.32Å; Q1602-L1605 PolarHBondContact O-N 3.06Å; L1605-I1608 PolarHBondContact O-N 2.95Å; L1605-Q1609 WeakPolarHBondContact O-CG 3.28Å; L1605-Q1609 PolarHBondContact O-N 3.4Å |
| 1606 | N | 71.3 | Confident | 64.8 | Low | 93 Ų | 93 | 71.9 Ų | 71.9 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 178.6 | -70 | -14.8 | 0 | 0 | 0 | 112 | Q1602 A1603 M1604 Q1609 Q1610 | Q1602-N1606 WeakPolarHBondContact O-CB 3.45Å; Q1602-N1606 PolarHBondContact O-N 3.34Å; Q1602-N1606 PolarHBondContact O-ND2 3.09Å; A1603-N1606 PolarHBondContact O-N 2.88Å; M1604-N1606 PolarHBondContact O-N 3.42Å; N1606-Q1609 PolarHBondContact O-N 2.82Å; N1606-Q1610 PolarHBondContact O-N 2.92Å |
| 1607 | G | 64 | Low | 63.1 | Low | 3 Ų | 3 | 76.7 Ų | 76.7 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A1603 M1604 Q1609 Q1610 I1611 | A1603-G1607 PolarHBondContact O-N 2.91Å; M1604-G1607 PolarHBondContact O-N 3.45Å; G1607-Q1609 VanDerWaalsContact C-N 3.33Å; G1607-Q1609 PolarHBondContact O-N 3.27Å; G1607-Q1610 PolarHBondContact O-N 3.4Å; G1607-I1611 WeakPolarHBondContact O-CD1 3.49Å; G1607-I1611 VanDerWaalsContact O-CG1 3.24Å; G1607-I1611 WeakPolarHBondContact O-CG1 3.36Å; G1607-I1611 PolarHBondContact O-N 2.92Å |
| 1608 | I | 64.2 | Low | 61.2 | Low | 68 Ų | 68 | 81.2 Ų | 81.2 | 35% | 0.349 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.8 | -66.4 | 166.2 | 0 | 0 | 0 | 110.6 | M1604 L1605 I1611 W1612 | M1604-I1608 VanDerWaalsContact O-CG1 3.29Å; M1604-I1608 WeakPolarHBondContact O-CG1 3.24Å; M1604-I1608 PolarHBondContact O-N 3.32Å; L1605-I1608 PolarHBondContact O-N 2.95Å; I1608-I1611 PolarHBondContact O-N 3.46Å; I1608-W1612 HydrophobicContact CG2-CD2 3.95Å; I1608-W1612 HydrophobicContact CG2-CE3 4.33Å; I1608-W1612 HydrophobicContact CG2-CG 4.49Å; I1608-W1612 HydrophobicContact CG2-CH2 4.19Å; I1608-W1612 HydrophobicContact CG2-CZ2 3.78Å; I1608-W1612 HydrophobicContact CG2-CZ3 4.44Å; I1608-W1612 WeakPolarHBondContact O-CB 3.43Å; I1608-W1612 PolarHBondContact O-N 2.99Å |
| 1609 | Q | 60.2 | Low | 59.1 | Low | 121 Ų | 121 | 82.8 Ų | 82.8 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 176.5 | -76.6 | -176.2 | 3.3 | 0 | 0 | 113.2 | L1605 N1606 G1607 W1612 A1613 | L1605-Q1609 WeakPolarHBondContact O-CG 3.28Å; L1605-Q1609 PolarHBondContact O-N 3.4Å; N1606-Q1609 PolarHBondContact O-N 2.82Å; G1607-Q1609 VanDerWaalsContact C-N 3.33Å; G1607-Q1609 PolarHBondContact O-N 3.27Å; Q1609-W1612 PolarHBondContact O-N 2.97Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.37Å; Q1609-A1613 PolarHBondContact O-N 2.93Å |
| 1610 | Q | 59 | Low | 57.2 | Low | 132 Ų | 132 | 84.1 Ų | 84.1 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | 175.4 | -80.7 | -173.5 | -7.8 | 0 | 0 | 112.2 | N1606 G1607 A1613 S1614 | N1606-Q1610 PolarHBondContact O-N 2.92Å; G1607-Q1610 PolarHBondContact O-N 3.4Å; Q1610-A1613 PolarHBondContact O-N 2.98Å; Q1610-S1614 WeakPolarHBondContact O-CB 3.43Å; Q1610-S1614 PolarHBondContact O-N 3.08Å; Q1610-S1614 PolarHBondContact O-OG 3Å |
| 1611 | I | 52.2 | Low | 55.4 | Low | 29 Ų | 29 | 95 Ų | 95 | 15% | 0.149 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63 | -47 | 175.7 | -67.1 | 162 | 0 | 0 | 0 | 109.6 | G1607 I1608 A1613 S1614 A1615 A1655 K1658 | G1607-I1611 WeakPolarHBondContact O-CD1 3.49Å; G1607-I1611 VanDerWaalsContact O-CG1 3.24Å; G1607-I1611 WeakPolarHBondContact O-CG1 3.36Å; G1607-I1611 PolarHBondContact O-N 2.92Å; I1608-I1611 PolarHBondContact O-N 3.46Å; I1611-A1613 VanDerWaalsContact C-N 3.32Å; I1611-A1613 PolarHBondContact O-N 2.92Å; I1611-S1614 PolarHBondContact O-N 3.24Å; I1611-S1614 PolarHBondContact O-OG 3.18Å; I1611-A1615 WeakPolarHBondContact O-CB 3.43Å; I1611-A1615 PolarHBondContact O-N 3.31Å; I1611-A1655 HydrophobicContact CD1-CB 3.97Å; I1611-A1655 HydrophobicContact CG2-CB 4.02Å; I1611-K1658 HydrophobicContact CD1-CB 4.16Å |
| 1612 | W | 49.9 | Very low | 53.5 | Low | 159 Ų | 159 | 100 Ų | 100 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -34.6 | 175.4 | -71.6 | -3.2 | 0 | 0 | 0 | 113.4 | I1608 Q1609 R1616 | I1608-W1612 HydrophobicContact CG2-CD2 3.95Å; I1608-W1612 HydrophobicContact CG2-CE3 4.33Å; I1608-W1612 HydrophobicContact CG2-CG 4.49Å; I1608-W1612 HydrophobicContact CG2-CH2 4.19Å; I1608-W1612 HydrophobicContact CG2-CZ2 3.78Å; I1608-W1612 HydrophobicContact CG2-CZ3 4.44Å; I1608-W1612 WeakPolarHBondContact O-CB 3.43Å; I1608-W1612 PolarHBondContact O-N 2.99Å; Q1609-W1612 PolarHBondContact O-N 2.97Å; W1612-R1616 WeakPolarHBondContact O-CG 3.06Å; W1612-R1616 PolarHBondContact O-N 2.86Å |
| 1613 | A | 50.1 | Low | 51.3 | Low | 57 Ų | 57 | 104.8 Ų | 104.8 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1609 Q1610 I1611 R1616 | Q1609-A1613 WeakPolarHBondContact O-CB 3.37Å; Q1609-A1613 PolarHBondContact O-N 2.93Å; Q1610-A1613 PolarHBondContact O-N 2.98Å; I1611-A1613 VanDerWaalsContact C-N 3.32Å; I1611-A1613 PolarHBondContact O-N 2.92Å; A1613-R1616 PolarHBondContact O-N 3.27Å |
| 1614 | S | 49.2 | Very low | 49.4 | Very low | 70 Ų | 70 | 114.8 Ų | 114.8 | 49% | 0.49 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.8 | -36.1 | 178.9 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | Q1610 I1611 R1616 V1617 T1618 | Q1610-S1614 WeakPolarHBondContact O-CB 3.43Å; Q1610-S1614 PolarHBondContact O-N 3.08Å; Q1610-S1614 PolarHBondContact O-OG 3Å; I1611-S1614 PolarHBondContact O-N 3.24Å; I1611-S1614 PolarHBondContact O-OG 3.18Å; S1614-R1616 VanDerWaalsContact C-N 3.3Å; S1614-R1616 PolarHBondContact O-N 3.49Å; S1614-V1617 PolarHBondContact O-N 2.79Å; S1614-T1618 PolarHBondContact O-N 2.96Å |
| 1615 | A | 45.7 | Very low | 47.7 | Very low | 49 Ų | 49 | 120.2 Ų | 120.2 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -33.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1611 V1617 T1618 | I1611-A1615 WeakPolarHBondContact O-CB 3.43Å; I1611-A1615 PolarHBondContact O-N 3.31Å; A1615-V1617 VanDerWaalsContact C-N 3.34Å; A1615-V1617 PolarHBondContact O-N 3.16Å; A1615-T1618 PolarHBondContact O-OG1 3.3Å |
| 1616 | R | 40.4 | Very low | 45.6 | Very low | 201 Ų | 201 | 126.9 Ų | 126.9 | 76% | 0.758 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.7 | -24.6 | 175.3 | -74.4 | -175.2 | -155.2 | 178.9 | 6.7 | 113.8 | W1612 A1613 S1614 | W1612-R1616 WeakPolarHBondContact O-CG 3.06Å; W1612-R1616 PolarHBondContact O-N 2.86Å; A1613-R1616 PolarHBondContact O-N 3.27Å; S1614-R1616 VanDerWaalsContact C-N 3.3Å; S1614-R1616 PolarHBondContact O-N 3.49Å |
| 1617 | V | 46.2 | Very low | 43.5 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 70% | 0.697 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -81.8 | -25.4 | -178.5 | 177.3 | 0 | 0 | 0 | 0 | 112 | S1614 A1615 | S1614-V1617 PolarHBondContact O-N 2.79Å; A1615-V1617 VanDerWaalsContact C-N 3.34Å; A1615-V1617 PolarHBondContact O-N 3.16Å |
| 1618 | T | 40.6 | Very low | 41.6 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 63% | 0.632 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.3 | -22.9 | -178.3 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | S1614 A1615 G1620 | S1614-T1618 PolarHBondContact O-N 2.96Å; A1615-T1618 PolarHBondContact O-OG1 3.3Å; T1618-G1620 VanDerWaalsContact C-N 3.33Å; T1618-G1620 PolarHBondContact O-N 2.81Å |
| 1619 | D | 35.9 | Very low | 39.7 | Very low | 97 Ų | 97 | 151.8 Ų | 151.8 | 52% | 0.519 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -77.3 | -17.4 | 178.5 | -161 | 25.3 | 0 | 0 | 0 | 113.4 | R1621 R1623 | D1619-R1621 PolarHBondContact O-N 3.44Å; D1619-R1623 IonicContact OD2-NH1 3.52Å |
| 1620 | G | 37.8 | Very low | 38 | Very low | 67 Ų | 67 | 151 Ų | 151 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.7 | -21.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1618 | T1618-G1620 VanDerWaalsContact C-N 3.33Å; T1618-G1620 PolarHBondContact O-N 2.81Å |
| 1621 | R | 37.5 | Very low | 36.4 | Very low | 231 Ų | 231 | 152 Ų | 152 | 87% | 0.872 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -101.8 | -16.9 | -170.1 | -89.5 | -177 | 178.8 | 166.4 | 1.1 | 116.3 | D1619 | D1619-R1621 PolarHBondContact O-N 3.44Å |
| 1622 | K | 35.8 | Very low | 35.2 | Very low | 184 Ų | 184 | 156.7 Ų | 156.7 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -101.6 | -18.1 | -175.8 | -76.7 | -175.1 | 178.4 | 176.1 | 0 | 115.3 | R1624 | K1622-R1624 PolarHBondContact O-N 2.61Å; K1622-R1624 VanDerWaalsContact O-N 3.13Å |
| 1623 | R | 27.7 | Very low | 34 | Very low | 212 Ų | 212 | 154 Ų | 154 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -1 | -174.2 | -121.9 | 171.4 | 167.8 | 154.4 | -4.6 | 115.9 | D1619 | D1619-R1623 IonicContact OD2-NH1 3.52Š|
| 1624 | R | 31.8 | Very low | 33.1 | Very low | 243 Ų | 243 | 160.1 Ų | 160.1 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 5.5 | -178.5 | -139.2 | 176.6 | 163.2 | 121.3 | -0.9 | 115.7 | K1622 | K1622-R1624 PolarHBondContact O-N 2.61Å; K1622-R1624 VanDerWaalsContact O-N 3.13Å |
| 1625 | K | 31.8 | Very low | 32.8 | Very low | 186 Ų | 186 | 162.2 Ų | 162.2 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -137.1 | 125.9 | 172.1 | -87.4 | -180 | 177 | 173.6 | 0 | 111 | ||
| 1626 | R | 27 | Very low | 31.7 | Very low | 244 Ų | 244 | 171.1 Ų | 171.1 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | 97.8 | 71.6 | 166.4 | -56.1 | -179.5 | 169.4 | -178.8 | -3.6 | 116.8 | ||||
| 1627 | R | 25.8 | Very low | 30.9 | Very low | 258 Ų | 258 | 170.1 Ų | 170.1 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | trans | -126.5 | 88.8 | 139.7 | -90.5 | -175.5 | 137.8 | 177.5 | -4.7 | 108.7 | ||||
| 1628 | R | 23.9 | Very low | 29.9 | Very low | 233 Ų | 233 | 171.4 Ų | 171.4 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -149 | 120.7 | 162.9 | -105.2 | -173.5 | 171.6 | 168.5 | -1.2 | 107.6 | ||||
| 1629 | K | 26.1 | Very low | 29 | Very low | 197 Ų | 197 | 173.4 Ų | 173.4 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | 69.2 | 147 | 163.3 | -62.9 | -179.9 | 173.9 | -175.6 | 0 | 115.6 | ||||
| 1630 | C | 23.5 | Very low | 28.4 | Very low | 105 Ų | 105 | 177.3 Ų | 177.3 | 71% | 0.709 | 83% | 0.828 | S | S | * | * | cis | -162.6 | 138.8 | -3.6 | -100.4 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 1631 | L | 25.4 | Very low | 27.7 | Very low | 152 Ų | 152 | 179.7 Ų | 179.7 | 80% | 0.796 | 83% | 0.834 | S | S | * | * | 60.2 | 125.8 | 87.6 | -94.8 | 155.3 | 0 | 0 | 0 | 116.8 | |||||
| 1632 | T | 27 | Very low | 27 | Very low | 128 Ų | 128 | 176.5 Ų | 176.5 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | 80.1 | 115.9 | 153.2 | 63.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1633 | A | 24 | Very low | 26.4 | Very low | 102 Ų | 102 | 176.1 Ų | 176.1 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | 153.6 | 137.4 | 114.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1634 | H | 32 | Very low | 26.4 | Very low | 186 Ų | 186 | 172.6 Ų | 172.6 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -64.4 | 179 | 164.6 | -73.7 | -79 | 0 | 0 | 0 | 112.3 | ||||
| 1635 | P | 42.9 | Very low | 26.3 | Very low | 113 Ų | 113 | 167.2 Ų | 167.2 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | cis | -141.9 | 178.3 | 5.9 | 40.4 | -19.1 | 0 | 0 | 0 | 117.6 | ||||
| 1636 | R | 22.5 | Very low | 26.2 | Very low | 237 Ų | 237 | 162.2 Ų | 162.2 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | trans | 22.6 | 128.2 | 146.7 | -72.9 | 177.4 | 168.8 | 156.8 | -4.1 | 122 | ||||
| 1637 | M | 24.2 | Very low | 26.6 | Very low | 180 Ų | 180 | 157.1 Ų | 157.1 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | 178.6 | 161.4 | 114.8 | -93.8 | -147.6 | -48.8 | 0 | 0 | 112.8 | |||||
| 1638 | D | 23.8 | Very low | 27 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 161.2 | -157.3 | -55.2 | -58.3 | 0 | 0 | 0 | 118.1 | ||||
| 1639 | N | 22.6 | Very low | 27.6 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | 69.6 | 118.3 | 150.7 | -71.5 | -6.5 | 0 | 0 | 0 | 122.6 | ||||
| 1640 | E | 22.4 | Very low | 28.1 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 55.5 | 95.6 | 142.3 | -63 | -171.6 | 162.8 | 0 | 0 | 118.7 | ||||
| 1641 | S | 23.1 | Very low | 29 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | 162.8 | 143 | 117.6 | 45.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1642 | L | 22.6 | Very low | 29.7 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | 73.7 | 87.2 | 172.2 | -104.6 | 78.2 | 0 | 0 | 0 | 118.1 | T1644 | L1642-T1644 PolarHBondContact O-N 3.14Š| ||
| 1643 | L | 25 | Very low | 30.4 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -55.7 | 113.9 | 156 | -79.6 | 149.9 | 0 | 0 | 0 | 110.2 | I1645 | L1643-I1645 PolarHBondContact O-N 3.29Š| ||
| 1644 | T | 27.5 | Very low | 31.4 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | trans | -64.8 | 111.6 | 170.7 | 47 | 0 | 0 | 0 | 0 | 110.1 | L1642 S1646 | L1642-T1644 PolarHBondContact O-N 3.14Å; T1644-S1646 PolarHBondContact O-N 3.24Å | ||
| 1645 | I | 29.7 | Very low | 32.2 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 67% | 0.672 | 68% | 0.681 | S | S | * | * | trans | -61.4 | 125.7 | 171 | -66.1 | 167.4 | 0 | 0 | 0 | 108.6 | L1643 E1649 | L1643-I1645 PolarHBondContact O-N 3.29Å; I1645-E1649 HydrophobicContact CG2-CB 4.49Å | ||
| 1646 | S | 29.6 | Very low | 32.4 | Very low | 81 Ų | 81 | 128 Ų | 128 | 57% | 0.566 | 67% | 0.674 | S | S | * | * | trans | -60.6 | 132.5 | 178.2 | 40.1 | 0 | 0 | 0 | 0 | 111.9 | T1644 E1648 E1649 | T1644-S1646 PolarHBondContact O-N 3.24Å; S1646-E1648 PolarHBondContact O-N 3.07Å; S1646-E1649 PolarHBondContact O-N 2.86Å | ||
| 1647 | D | 35.9 | Very low | 33.7 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -52.7 | -18.2 | -171.6 | -72.8 | -44 | 0 | 0 | 0 | 115.8 | S1650 | D1647-S1650 PolarHBondContact O-OG 2.8Å |
| 1648 | E | 33.4 | Very low | 35 | Very low | 167 Ų | 167 | 118.7 Ų | 118.7 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.7 | -36.9 | -179.7 | -74.6 | -174.5 | 156.4 | 0 | 0 | 114.2 | S1646 S1650 I1651 E1652 | S1646-E1648 PolarHBondContact O-N 3.07Å; E1648-S1650 VanDerWaalsContact C-N 3.29Å; E1648-S1650 PolarHBondContact O-N 3.3Å; E1648-I1651 PolarHBondContact O-N 3.34Å; E1648-E1652 PolarHBondContact O-N 3.47Å |
| 1649 | E | 35.9 | Very low | 36.1 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.3 | -26.7 | 177.2 | -81.7 | -174.9 | 162.4 | 0 | 0 | 112.1 | I1645 S1646 I1651 E1652 T1653 | I1645-E1649 HydrophobicContact CG2-CB 4.49Å; S1646-E1649 PolarHBondContact O-N 2.86Å; E1649-I1651 VanDerWaalsContact C-N 3.26Å; E1649-I1651 PolarHBondContact O-N 3.04Å; E1649-E1652 PolarHBondContact O-N 2.79Å; E1649-T1653 WeakPolarHBondContact O-CB 2.95Å; E1649-T1653 WeakPolarHBondContact O-CG2 3.27Å; E1649-T1653 PolarHBondContact O-N 2.95Å; E1649-T1653 PolarHBondContact O-OG1 3.2Å |
| 1650 | S | 37 | Very low | 37.5 | Very low | 56 Ų | 56 | 110.7 Ų | 110.7 | 39% | 0.392 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.7 | -30.3 | 175.2 | 80 | 0 | 0 | 0 | 0 | 112.3 | D1647 E1648 T1653 S1654 | D1647-S1650 PolarHBondContact O-OG 2.8Å; E1648-S1650 VanDerWaalsContact C-N 3.29Å; E1648-S1650 PolarHBondContact O-N 3.3Å; S1650-T1653 WeakPolarHBondContact CA-OG1 3.24Å; S1650-T1653 PolarHBondContact O-OG1 2.86Å; S1650-S1654 WeakPolarHBondContact O-CB 3.43Å; S1650-S1654 PolarHBondContact O-N 2.86Å; S1650-S1654 PolarHBondContact O-OG 3.18Å |
| 1651 | I | 41.5 | Very low | 39 | Very low | 100 Ų | 100 | 107.8 Ų | 107.8 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75 | -44 | 178.8 | -61.7 | 171.4 | 0 | 0 | 0 | 109.7 | E1648 E1649 S1654 A1655 | E1648-I1651 PolarHBondContact O-N 3.34Å; E1649-I1651 VanDerWaalsContact C-N 3.26Å; E1649-I1651 PolarHBondContact O-N 3.04Å; I1651-S1654 PolarHBondContact O-OG 2.69Å; I1651-A1655 WeakPolarHBondContact O-CB 3.3Å; I1651-A1655 PolarHBondContact O-N 3.05Å |
| 1652 | E | 40.6 | Very low | 40.2 | Very low | 142 Ų | 142 | 106.4 Ų | 106.4 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.5 | -43.7 | 176.9 | -83.6 | -169.8 | 156.8 | 0 | 0 | 112.8 | E1648 E1649 A1655 L1656 | E1648-E1652 PolarHBondContact O-N 3.47Å; E1649-E1652 PolarHBondContact O-N 2.79Å; E1652-A1655 PolarHBondContact O-N 3.43Å; E1652-L1656 WeakPolarHBondContact O-CB 3.48Å; E1652-L1656 PolarHBondContact O-N 3.06Å |
| 1653 | T | 42.7 | Very low | 41.5 | Very low | 88 Ų | 88 | 98.9 Ų | 98.9 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | E1649 S1650 A1655 L1656 L1657 | E1649-T1653 WeakPolarHBondContact O-CB 2.95Å; E1649-T1653 WeakPolarHBondContact O-CG2 3.27Å; E1649-T1653 PolarHBondContact O-N 2.95Å; E1649-T1653 PolarHBondContact O-OG1 3.2Å; S1650-T1653 WeakPolarHBondContact CA-OG1 3.24Å; S1650-T1653 PolarHBondContact O-OG1 2.86Å; T1653-A1655 VanDerWaalsContact C-N 3.3Å; T1653-A1655 PolarHBondContact O-N 3.27Å; T1653-L1656 PolarHBondContact O-N 3.15Å; T1653-L1657 WeakPolarHBondContact O-CB 3.44Å; T1653-L1657 PolarHBondContact O-N 3.12Å |
| 1654 | S | 44.5 | Very low | 42.6 | Very low | 60 Ų | 60 | 97 Ų | 97 | 42% | 0.42 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -30 | 174.1 | 82.4 | 0 | 0 | 0 | 0 | 112.8 | S1650 I1651 K1658 | S1650-S1654 WeakPolarHBondContact O-CB 3.43Å; S1650-S1654 PolarHBondContact O-N 2.86Å; S1650-S1654 PolarHBondContact O-OG 3.18Å; I1651-S1654 PolarHBondContact O-OG 2.69Å; S1654-K1658 WeakPolarHBondContact O-CB 3.44Å; S1654-K1658 WeakPolarHBondContact O-CG 3.42Å; S1654-K1658 PolarHBondContact O-N 3.03Å |
| 1655 | A | 48.4 | Very low | 43.7 | Very low | 17 Ų | 17 | 98 Ų | 98 | 14% | 0.14 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -71.4 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1611 I1651 E1652 T1653 K1658 A1659 | I1611-A1655 HydrophobicContact CD1-CB 3.97Å; I1611-A1655 HydrophobicContact CG2-CB 4.02Å; I1651-A1655 WeakPolarHBondContact O-CB 3.3Å; I1651-A1655 PolarHBondContact O-N 3.05Å; E1652-A1655 PolarHBondContact O-N 3.43Å; T1653-A1655 VanDerWaalsContact C-N 3.3Å; T1653-A1655 PolarHBondContact O-N 3.27Å; A1655-K1658 PolarHBondContact O-N 3.4Å; A1655-A1659 WeakPolarHBondContact O-CB 3.37Å; A1655-A1659 PolarHBondContact O-N 3.47Å |
| 1656 | L | 47.7 | Very low | 44.5 | Very low | 110 Ų | 110 | 94 Ų | 94 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 171.9 | -93 | 153.4 | 0 | 0 | 0 | 111.3 | E1652 T1653 K1658 A1659 E1660 | E1652-L1656 WeakPolarHBondContact O-CB 3.48Å; E1652-L1656 PolarHBondContact O-N 3.06Å; T1653-L1656 PolarHBondContact O-N 3.15Å; L1656-K1658 PolarHBondContact O-N 3.21Å; L1656-A1659 PolarHBondContact O-N 3.48Å; L1656-E1660 PolarHBondContact O-N 3.32Å |
| 1657 | L | 50.3 | Low | 45.4 | Very low | 101 Ų | 101 | 94.3 Ų | 94.3 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 178.3 | -147.5 | 109.4 | 0 | 0 | 0 | 112 | T1653 E1660 Q1661 | T1653-L1657 WeakPolarHBondContact O-CB 3.44Å; T1653-L1657 PolarHBondContact O-N 3.12Å; L1657-E1660 PolarHBondContact O-N 2.84Å; L1657-Q1661 WeakPolarHBondContact O-CG 3.33Å; L1657-Q1661 PolarHBondContact O-N 3.44Å |
| 1658 | K | 51.7 | Low | 45.9 | Very low | 122 Ų | 122 | 89.5 Ų | 89.5 | 53% | 0.53 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 172.9 | -84.1 | -178.9 | 176.9 | 175.6 | 0 | 112.5 | I1611 S1654 A1655 L1656 Q1661 L1662 | I1611-K1658 HydrophobicContact CD1-CB 4.16Å; S1654-K1658 WeakPolarHBondContact O-CB 3.44Å; S1654-K1658 WeakPolarHBondContact O-CG 3.42Å; S1654-K1658 PolarHBondContact O-N 3.03Å; A1655-K1658 PolarHBondContact O-N 3.4Å; L1656-K1658 PolarHBondContact O-N 3.21Å; K1658-Q1661 PolarHBondContact O-N 3.35Å; K1658-L1662 WeakPolarHBondContact O-CG 3.47Å; K1658-L1662 PolarHBondContact O-N 3.32Å |
| 1659 | A | 47.1 | Very low | 46.6 | Very low | 7 Ų | 7 | 86.1 Ų | 86.1 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1655 L1656 L1662 L1663 | A1655-A1659 WeakPolarHBondContact O-CB 3.37Å; A1655-A1659 PolarHBondContact O-N 3.47Å; L1656-A1659 PolarHBondContact O-N 3.48Å; A1659-L1662 PolarHBondContact O-N 3.16Å; A1659-L1663 VanDerWaalsContact O-CG 3.29Å; A1659-L1663 WeakPolarHBondContact O-CG 3.41Å; A1659-L1663 PolarHBondContact O-N 3.23Å |
| 1660 | E | 50.1 | Low | 47.1 | Very low | 111 Ų | 111 | 88.5 Ų | 88.5 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 171.3 | -82 | -168.2 | 142.9 | 0 | 0 | 112.8 | L1656 L1657 L1662 L1663 H1664 | L1656-E1660 PolarHBondContact O-N 3.32Å; L1657-E1660 PolarHBondContact O-N 2.84Å; E1660-L1662 PolarHBondContact O-N 3.43Å; E1660-L1663 WeakPolarHBondContact O-CB 3.34Å; E1660-L1663 PolarHBondContact O-N 2.79Å; E1660-H1664 PolarHBondContact O-N 2.95Å |
| 1661 | Q | 54 | Low | 47.4 | Very low | 117 Ų | 117 | 87.7 Ų | 87.7 | 55% | 0.547 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 174 | -75.8 | 176.9 | -8.1 | 0 | 0 | 112 | L1657 K1658 L1663 H1664 | L1657-Q1661 WeakPolarHBondContact O-CG 3.33Å; L1657-Q1661 PolarHBondContact O-N 3.44Å; K1658-Q1661 PolarHBondContact O-N 3.35Å; Q1661-L1663 VanDerWaalsContact C-N 3.31Å; Q1661-L1663 PolarHBondContact O-N 3.47Å; Q1661-H1664 WeakPolarHBondContact O-CB 3.26Å; Q1661-H1664 PolarHBondContact O-N 3.38Å |
| 1662 | L | 49.5 | Very low | 47.4 | Very low | 88 Ų | 88 | 86.3 Ų | 86.3 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 173.8 | -74.5 | 169.4 | 0 | 0 | 0 | 112 | K1658 A1659 E1660 H1664 H1665 | K1658-L1662 WeakPolarHBondContact O-CG 3.47Å; K1658-L1662 PolarHBondContact O-N 3.32Å; A1659-L1662 PolarHBondContact O-N 3.16Å; E1660-L1662 PolarHBondContact O-N 3.43Å; L1662-H1664 VanDerWaalsContact C-N 3.33Å; L1662-H1664 PolarHBondContact O-N 2.95Å; L1662-H1665 PolarHBondContact O-N 2.74Å |
| 1663 | L | 48.8 | Very low | 46.8 | Very low | 7 Ų | 7 | 83.6 Ų | 83.6 | 4% | 0.037 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.3 | -29.3 | 176.2 | -77.3 | 168 | 0 | 0 | 0 | 113.4 | V1600 M1604 A1659 E1660 Q1661 H1665 I1666 | V1600-L1663 HydrophobicContact CB-CD2 4.38Å; V1600-L1663 HydrophobicContact CG1-CD2 3.7Å; V1600-L1663 HydrophobicContact CG2-CD2 4.43Å; M1604-L1663 HydrophobicContact CE-CD1 3.46Å; M1604-L1663 VanDerWaalsContact CE-CD1 3.46Å; M1604-L1663 HydrophobicContact CG-CD1 3.76Å; M1604-L1663 HydrophobicContact CG-CD2 4.34Å; M1604-L1663 HydrophobicContact CG-CG 4.35Å; M1604-L1663 HydrophobicContact SD-CD1 4.29Å; A1659-L1663 VanDerWaalsContact O-CG 3.29Å; A1659-L1663 WeakPolarHBondContact O-CG 3.41Å; A1659-L1663 PolarHBondContact O-N 3.23Å; E1660-L1663 WeakPolarHBondContact O-CB 3.34Å; E1660-L1663 PolarHBondContact O-N 2.79Å; Q1661-L1663 VanDerWaalsContact C-N 3.31Å; Q1661-L1663 PolarHBondContact O-N 3.47Å; L1663-H1665 PolarHBondContact O-N 2.98Å; L1663-H1665 VanDerWaalsContact O-N 3.17Å; L1663-I1666 HydrophobicContact CD2-CD1 4.21Å; L1663-I1666 PolarHBondContact O-N 3.48Å |
| 1664 | H | 49.6 | Very low | 46.1 | Very low | 135 Ų | 135 | 83.7 Ų | 83.7 | 63% | 0.625 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.5 | 176.4 | -122.6 | -73.1 | 0 | 0 | 0 | 113.1 | E1660 Q1661 L1662 | E1660-H1664 PolarHBondContact O-N 2.95Å; Q1661-H1664 WeakPolarHBondContact O-CB 3.26Å; Q1661-H1664 PolarHBondContact O-N 3.38Å; L1662-H1664 VanDerWaalsContact C-N 3.33Å; L1662-H1664 PolarHBondContact O-N 2.95Å |
| 1665 | H | 48.9 | Very low | 45.4 | Very low | 161 Ų | 161 | 86.7 Ų | 86.7 | 75% | 0.745 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15 | 174.6 | -75.8 | 23.4 | 0 | 0 | 0 | 113.7 | L1662 L1663 Q1667 | L1662-H1665 PolarHBondContact O-N 2.74Å; L1663-H1665 PolarHBondContact O-N 2.98Å; L1663-H1665 VanDerWaalsContact O-N 3.17Å; H1665-Q1667 VanDerWaalsContact C-N 3.29Å; H1665-Q1667 PolarHBondContact O-N 2.91Å |
| 1666 | I | 48.2 | Very low | 44.5 | Very low | 45 Ų | 45 | 95.1 Ų | 95.1 | 23% | 0.231 | 48% | 0.479 | C | S | . | . | trans | -86.4 | 76.2 | 174.9 | -52.3 | -178 | 0 | 0 | 0 | 108.4 | A1603 L1663 P1668 | A1603-I1666 HydrophobicContact CB-CD1 3.35Å; L1663-I1666 HydrophobicContact CD2-CD1 4.21Å; L1663-I1666 PolarHBondContact O-N 3.48Å; I1666-P1668 WeakPolarHBondContact O-CD 3.33Å | ||
| 1667 | Q | 48.3 | Very low | 43.6 | Very low | 88 Ų | 88 | 97.5 Ų | 97.5 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | trans | -61.4 | 118.1 | 171.7 | -73.8 | -81.7 | -32.3 | 0 | 0 | 108.9 | H1665 Q1669 K1670 | H1665-Q1667 VanDerWaalsContact C-N 3.29Å; H1665-Q1667 PolarHBondContact O-N 2.91Å; Q1667-Q1669 PolarHBondContact O-N 2.95Å; Q1667-K1670 HydrophobicContact CB-CG 4.4Å; Q1667-K1670 PolarHBondContact O-N 3.49Å; Q1667-K1670 VanDerWaalsContact O-N 3.1Å | ||
| 1668 | P | 45.2 | Very low | 42.4 | Very low | 36 Ų | 36 | 101.4 Ų | 101.4 | 23% | 0.234 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -55 | -31 | -178.6 | -20.8 | 28.5 | 0 | 0 | 0 | 112.8 | F1521 Y1596 I1666 K1670 L1671 F1672 | F1521-P1668 HydrophobicContact CD2-CB 3.53Å; F1521-P1668 HydrophobicContact CE2-CB 3.73Å; Y1596-P1668 HydrophobicContact CD2-CB 4.22Å; Y1596-P1668 HydrophobicContact CE2-CB 3.75Å; Y1596-P1668 HydrophobicContact CE2-CG 3.82Å; I1666-P1668 WeakPolarHBondContact O-CD 3.33Å; P1668-K1670 VanDerWaalsContact C-N 3.33Å; P1668-K1670 PolarHBondContact O-N 3.12Å; P1668-L1671 PolarHBondContact O-N 3.5Å; P1668-F1672 WeakPolarHBondContact O-CD2 3.46Å |
| 1669 | Q | 48.6 | Very low | 41.2 | Very low | 96 Ų | 96 | 105.3 Ų | 105.3 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -62.5 | -32.1 | -179 | -62.5 | 166.9 | -1.5 | 0 | 0 | 113.3 | Q1667 L1671 F1672 | Q1667-Q1669 PolarHBondContact O-N 2.95Å; Q1669-L1671 VanDerWaalsContact C-N 3.27Å; Q1669-L1671 PolarHBondContact O-N 2.93Å; Q1669-F1672 WeakPolarHBondContact O-CB 3.42Å; Q1669-F1672 PolarHBondContact O-N 2.91Å |
| 1670 | K | 45.8 | Very low | 40.3 | Very low | 172 Ų | 172 | 108.8 Ų | 108.8 | 75% | 0.748 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -69.8 | -21.3 | -178 | -75.6 | -170.5 | 176.1 | -173.9 | 0 | 113.6 | Q1667 P1668 F1672 | Q1667-K1670 HydrophobicContact CB-CG 4.4Å; Q1667-K1670 PolarHBondContact O-N 3.49Å; Q1667-K1670 VanDerWaalsContact O-N 3.1Å; P1668-K1670 VanDerWaalsContact C-N 3.33Å; P1668-K1670 PolarHBondContact O-N 3.12Å; K1670-F1672 PolarHBondContact O-N 3.37Å |
| 1671 | L | 44.1 | Very low | 39.1 | Very low | 39 Ų | 39 | 111.8 Ų | 111.8 | 20% | 0.204 | 57% | 0.569 | C | S | . | * | G | 310 helix | trans | -71.7 | -11.6 | 175 | -97.4 | 114.3 | 0 | 0 | 0 | 113.8 | K1595 Y1596 P1668 Q1669 | K1595-L1671 HydrophobicContact CB-CD2 4.16Å; K1595-L1671 HydrophobicContact CD-CD2 3.57Å; K1595-L1671 HydrophobicContact CG-CD2 3.55Å; Y1596-L1671 HydrophobicContact CD2-CD1 4.37Å; P1668-L1671 PolarHBondContact O-N 3.5Å; Q1669-L1671 VanDerWaalsContact C-N 3.27Å; Q1669-L1671 PolarHBondContact O-N 2.93Å |
| 1672 | F | 41.3 | Very low | 37.7 | Very low | 70 Ų | 70 | 111.2 Ų | 111.2 | 31% | 0.307 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -92.5 | -9.7 | -175.1 | -73.8 | -88.3 | 0 | 0 | 0 | 114.7 | F1521 A1522 F1592 P1668 Q1669 K1670 S1674 | F1521-F1672 HydrophobicContact CD1-CE2 4.48Å; F1521-F1672 HydrophobicContact CD1-CZ 4.03Å; F1521-F1672 AromaticContact CD2-CE2 3.89Å; F1521-F1672 HydrophobicContact CD2-CE2 3.89Å; F1521-F1672 HydrophobicContact CD2-CZ 4.25Å; F1521-F1672 HydrophobicContact CE1-CE2 4.27Å; F1521-F1672 AromaticContact CE1-CZ 3.74Å; F1521-F1672 HydrophobicContact CE1-CZ 3.74Å; F1521-F1672 AromaticContact CE2-CE2 3.63Å; F1521-F1672 HydrophobicContact CE2-CE2 3.63Å; F1521-F1672 AromaticContact CE2-CZ 3.96Å; F1521-F1672 HydrophobicContact CE2-CZ 3.96Å; F1521-F1672 HydrophobicContact CG-CE2 4.31Å; F1521-F1672 HydrophobicContact CG-CZ 4.28Å; F1521-F1672 AromaticContact CZ-CE2 3.84Å; F1521-F1672 HydrophobicContact CZ-CE2 3.84Å; F1521-F1672 AromaticContact CZ-CZ 3.7Å; F1521-F1672 HydrophobicContact CZ-CZ 3.7Å; F1521-F1672 WeakPolarHBondContact O-CE2 3.4Å; F1521-F1672 WeakPolarHBondContact O-CZ 3.42Å; A1522-F1672 HydrophobicContact CB-CE1 3.93Å; A1522-F1672 HydrophobicContact CB-CZ 3.96Å; F1592-F1672 HydrophobicContact CB-CZ 4.43Å; F1592-F1672 HydrophobicContact CD1-CD1 4.14Å; F1592-F1672 AromaticContact CD1-CE1 3.73Å; F1592-F1672 HydrophobicContact CD1-CE1 3.73Å; F1592-F1672 HydrophobicContact CD1-CZ 4.22Å; F1592-F1672 HydrophobicContact CE1-CD1 4.16Å; F1592-F1672 HydrophobicContact CE1-CE1 4.12Å; F1592-F1672 HydrophobicContact CG-CE1 4.12Å; F1592-F1672 HydrophobicContact CG-CZ 4.47Å; P1668-F1672 WeakPolarHBondContact O-CD2 3.46Å; Q1669-F1672 WeakPolarHBondContact O-CB 3.42Å; Q1669-F1672 PolarHBondContact O-N 2.91Å; K1670-F1672 PolarHBondContact O-N 3.37Å; F1672-S1674 PolarHBondContact O-N 3.16Å |
| 1673 | C | 28.3 | Very low | 36.7 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -81.6 | 118.5 | 179.3 | -139.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1674 | S | 27.8 | Very low | 35.5 | Very low | 90 Ų | 90 | 119.1 Ų | 119.1 | 63% | 0.629 | 63% | 0.628 | S | S | * | * | trans | -60 | 142.2 | 167.9 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | F1672 K1676 | F1672-S1674 PolarHBondContact O-N 3.16Å; S1674-K1676 PolarHBondContact O-N 2.8Å | ||
| 1675 | P | 30.2 | Very low | 34.3 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 79% | 0.792 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 39.9 | -163.2 | 31.5 | -36.9 | 0 | 0 | 0 | 115.7 | ||
| 1676 | K | 29.8 | Very low | 33.3 | Very low | 194 Ų | 194 | 117 Ų | 117 | 84% | 0.843 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 15 | 175 | -79.9 | -165 | 173.3 | -171.3 | 0 | 114.8 | S1674 | S1674-K1676 PolarHBondContact O-N 2.8Š|
| 1677 | Q | 28.6 | Very low | 32.1 | Very low | 161 Ų | 161 | 120.2 Ų | 120.2 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -131.6 | 22.4 | 177.2 | -84 | -172.6 | -28.9 | 0 | 0 | 114.4 | ||
| 1678 | E | 25.4 | Very low | 32.1 | Very low | 183 Ų | 183 | 121.7 Ų | 121.7 | 86% | 0.855 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -95.3 | -1.7 | 178 | -90.9 | -176.9 | 160.5 | 0 | 0 | 115.4 | ||
| 1679 | E | 26.7 | Very low | 31.2 | Very low | 204 Ų | 204 | 129.3 Ų | 129.3 | 95% | 0.953 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -100 | 7.5 | 179.6 | -83.5 | -169.5 | 168.2 | 0 | 0 | 116.1 | ||
| 1680 | A | 27.2 | Very low | 30 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -137.3 | 86.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 1681 | I | 24.8 | Very low | 28.9 | Very low | 175 Ų | 175 | 129 Ų | 129 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | trans | -179.1 | 78.7 | 142.9 | -78.1 | 139.3 | 0 | 0 | 0 | 106.1 | ||||
| 1682 | S | 24.1 | Very low | 27.9 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -131.4 | 90.7 | 150.5 | 63.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1683 | N | 28.2 | Very low | 26.9 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -171.7 | 106.6 | 149.8 | -89.3 | -20.1 | 0 | 0 | 0 | 108.5 | ||||
| 1684 | S | 25 | Very low | 26.6 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -64.4 | 137 | 162 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1685 | D | 24.2 | Very low | 26.3 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | 159.6 | 141.8 | 111.9 | -88.4 | -29.3 | 0 | 0 | 0 | 113.4 | |||||
| 1686 | S | 26.9 | Very low | 25.8 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 86.2 | 99.5 | 151.4 | 72.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1687 | S | 22.8 | Very low | 25.4 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | 71.5 | 152.3 | 124.7 | 54.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1688 | P | 48.1 | Very low | 25.1 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -106.2 | 158 | -142.4 | 39.7 | -32.1 | 0 | 0 | 0 | 113.9 | ||||
| 1689 | E | 27.3 | Very low | 24.9 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -156.5 | 133.4 | 150.7 | -112.8 | 166.4 | -150.5 | 0 | 0 | 112.1 | ||||
| 1690 | T | 22.6 | Very low | 24.6 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | -67.2 | 140.5 | 177.8 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1691 | N | 23.7 | Very low | 24.5 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | 174 | 121 | 121 | -90.4 | -20.5 | 0 | 0 | 0 | 114.7 | |||||
| 1692 | T | 22.3 | Very low | 24.4 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 52 | 107.9 | 138.4 | 50.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1693 | T | 20.3 | Very low | 24.6 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | 33.2 | 110.1 | 123.7 | 50.7 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1694 | Q | 22.2 | Very low | 24.6 | Very low | 199 Ų | 199 | 137.9 Ų | 137.9 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | -157.9 | 143.7 | 127.7 | -108.6 | 170.8 | 27.4 | 0 | 0 | 111 | |||||
| 1695 | T | 22.4 | Very low | 24.7 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 131.8 | -154.3 | 42.1 | 0 | 0 | 0 | 0 | 114 | S1697 | T1695-S1697 PolarHBondContact O-N 3.47Š| ||
| 1696 | N | 20.1 | Very low | 24.8 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 0.1 | 106.6 | 148.2 | -65.7 | -18 | 0 | 0 | 0 | 116.9 | ||||
| 1697 | S | 21.4 | Very low | 24.7 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -120.8 | 119.5 | 143.5 | 55.6 | 0 | 0 | 0 | 0 | 108.7 | T1695 V1699 | T1695-S1697 PolarHBondContact O-N 3.47Å; S1697-V1699 PolarHBondContact O-N 3.2Å | ||
| 1698 | S | 20.6 | Very low | 24.9 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 116.3 | -177.3 | -48 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1699 | V | 22.5 | Very low | 24 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -104.5 | 110.4 | 164.9 | 176.7 | 0 | 0 | 0 | 0 | 107.3 | S1697 L1701 | S1697-V1699 PolarHBondContact O-N 3.2Å; V1699-L1701 PolarHBondContact O-N 2.87Å | ||
| 1700 | E | 20.8 | Very low | 24 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -61.3 | 113.7 | 171 | -69.1 | 175.9 | 141.2 | 0 | 0 | 109.2 | S1702 | E1700-S1702 PolarHBondContact O-N 2.77Š| ||
| 1701 | L | 24.1 | Very low | 24.1 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -76.4 | 121.3 | 177 | -84.9 | 149.6 | 0 | 0 | 0 | 110 | V1699 | V1699-L1701 PolarHBondContact O-N 2.87Š| ||
| 1702 | S | 23.8 | Very low | 24.2 | Very low | 86 Ų | 86 | 139 Ų | 139 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | -69.6 | 150.8 | -175.5 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | E1700 E1704 | E1700-S1702 PolarHBondContact O-N 2.77Å; S1702-E1704 PolarHBondContact O-N 2.71Å | ||
| 1703 | M | 27.2 | Very low | 24.4 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 84% | 0.837 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 20.6 | -170.3 | -162.3 | 159.8 | 68.9 | 0 | 0 | 114.8 | ||
| 1704 | E | 28 | Very low | 24.5 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -28.9 | -179.4 | -84.5 | 177.7 | 154.9 | 0 | 0 | 113.2 | S1702 Y1706 L1707 | S1702-E1704 PolarHBondContact O-N 2.71Å; E1704-Y1706 PolarHBondContact O-N 2.82Å; E1704-Y1706 VanDerWaalsContact O-N 3.16Å; E1704-L1707 PolarHBondContact O-N 2.92Å |
| 1705 | D | 27.4 | Very low | 24.4 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -7.4 | -179.8 | -74.8 | -18.8 | 0 | 0 | 0 | 114.3 | ||
| 1706 | Y | 25.4 | Very low | 24.5 | Very low | 194 Ų | 194 | 144 Ų | 144 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -15.9 | 179.8 | -155.1 | -96.5 | 0 | 0 | 0 | 113.7 | E1704 | E1704-Y1706 PolarHBondContact O-N 2.82Å; E1704-Y1706 VanDerWaalsContact O-N 3.16Å |
| 1707 | L | 25.4 | Very low | 24.7 | Very low | 120 Ų | 120 | 143 Ų | 143 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -20.2 | -172.3 | -83.6 | 161.8 | 0 | 0 | 0 | 114.6 | E1704 | E1704-L1707 PolarHBondContact O-N 2.92Š|
| 1708 | D | 28.1 | Very low | 24.6 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -85.2 | -13.8 | -176.5 | -84.5 | -11.6 | 0 | 0 | 0 | 115.2 | ||
| 1709 | T | 29 | Very low | 24.6 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -89.7 | 2.1 | -178.8 | -8.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1710 | T | 26.5 | Very low | 24.9 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -110.3 | 0.1 | -176.4 | -36.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1711 | L | 24.7 | Very low | 25 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -105.9 | 10.5 | -176 | -96.9 | 158.1 | 0 | 0 | 0 | 115.7 | ||
| 1712 | A | 26.5 | Very low | 24.8 | Very low | 86 Ų | 86 | 149 Ų | 149 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -114.4 | 24 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1713 | L | 25.1 | Very low | 24.8 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -139.7 | 29.1 | -178.2 | -78.1 | 175.1 | 0 | 0 | 0 | 116.1 | ||
| 1714 | T | 22.9 | Very low | 24.8 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -143.7 | 67.5 | 171.5 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1715 | E | 21.1 | Very low | 24.5 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -163.3 | 77.9 | 163.9 | -116.1 | 174.2 | -151.3 | 0 | 0 | 109.3 | ||||
| 1716 | E | 23.8 | Very low | 24.1 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -171.2 | 137.5 | 149.7 | -111.6 | 174.2 | -174.3 | 0 | 0 | 109 | ||
| 1717 | T | 24.3 | Very low | 24 | Very low | 144 Ų | 144 | 144 Ų | 144 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | 87.2 | 55.9 | 177.6 | 73.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1718 | M | 18.5 | Very low | 23.9 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 84% | 0.837 | 80% | 0.802 | S | S | * | * | trans | -86.1 | 152.9 | 139.5 | -103.9 | -175.4 | 65.5 | 0 | 0 | 109 | ||||
| 1719 | E | 22.4 | Very low | 23.7 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 86.1 | 94.3 | 171.7 | -59.4 | 179.3 | 175.1 | 0 | 0 | 116.9 | ||||
| 1720 | N | 27.5 | Very low | 23.9 | Very low | 172 Ų | 172 | 148 Ų | 148 | 92% | 0.92 | 81% | 0.812 | S | S | * | * | -160.1 | 132.3 | 119.9 | -92.2 | -34.7 | 0 | 0 | 0 | 111 | |||||
| 1721 | E | 23.1 | Very low | 23.6 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -75.3 | 156.5 | -168.3 | -68.5 | 176.8 | 131.6 | 0 | 0 | 115.1 | ||||
| 1722 | L | 21 | Very low | 23.6 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | 42.1 | 126.1 | 138.1 | -82.4 | 92.6 | 0 | 0 | 0 | 122.2 | ||||
| 1723 | V | 22.1 | Very low | 23.6 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 70% | 0.697 | 82% | 0.82 | S | S | * | * | trans | 73 | 111.1 | 130.4 | -179.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1724 | T | 27.3 | Very low | 23.6 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | -173.4 | 125.9 | 120.5 | 18.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1725 | E | 22.2 | Very low | 24.7 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 13.4 | 130.4 | 152.6 | -69.1 | 174.3 | 141 | 0 | 0 | 123.6 | ||||
| 1726 | C | 19.5 | Very low | 24.8 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | 11.7 | 141.2 | 133.2 | -76.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 1727 | A | 22.3 | Very low | 24.9 | Very low | 82 Ų | 82 | 153 Ų | 153 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | 90 | 107.1 | 144 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1728 | N | 24 | Very low | 24.9 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | 175.3 | 126.5 | 106 | -84.7 | -31.6 | 0 | 0 | 0 | 113.5 | |||||
| 1729 | E | 23.6 | Very low | 25.2 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | 44.6 | 114 | 140.6 | -57.6 | -170 | 141.2 | 0 | 0 | 122.2 | ||||
| 1730 | V | 32.9 | Very low | 25.7 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 92% | 0.915 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 117.2 | 137.4 | -179 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1731 | K | 21.8 | Very low | 25.6 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -95.5 | 158.9 | 173.5 | -98.1 | 176.6 | 175 | 169.6 | 0 | 110.7 | ||||
| 1732 | E | 24.5 | Very low | 25.8 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | 102.6 | 123.8 | 150.3 | -78.9 | 174.7 | -171 | 0 | 0 | 123.8 | ||||
| 1733 | A | 25.8 | Very low | 26.1 | Very low | 93 Ų | 93 | 151 Ų | 151 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 77.2 | 136.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1734 | L | 24.1 | Very low | 26.3 | Very low | 161 Ų | 161 | 153.3 Ų | 153.3 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | cis | -178.4 | -171.2 | -3.4 | -121.9 | 157.7 | 0 | 0 | 0 | 106.8 | ||||
| 1735 | P | 46 | Very low | 26.2 | Very low | 89 Ų | 89 | 151.1 Ų | 151.1 | 58% | 0.578 | 81% | 0.809 | S | S | * | * | -123 | -177.8 | -114.6 | 46.6 | -32 | 0 | 0 | 0 | 120.2 | |||||
| 1736 | H | 24.4 | Very low | 26.5 | Very low | 177 Ų | 177 | 150.8 Ų | 150.8 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | trans | 73.4 | 105.4 | 153.2 | -64.1 | -56.8 | 0 | 0 | 0 | 122.6 | ||||
| 1737 | R | 26.6 | Very low | 26.9 | Very low | 255 Ų | 255 | 148.7 Ų | 148.7 | 96% | 0.962 | 80% | 0.797 | S | S | * | * | -167.6 | 135.7 | 129.4 | -107.7 | 177.6 | -173.7 | -160.8 | 2.4 | 112.6 | |||||
| 1738 | T | 24.1 | Very low | 27.2 | Very low | 143 Ų | 143 | 157 Ų | 157 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -89.4 | 126.4 | -168.4 | 41.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1739 | A | 25 | Very low | 27.6 | Very low | 92 Ų | 92 | 156.9 Ų | 156.9 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -155.3 | 136.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | K1741 | A1739-K1741 PolarHBondContact O-N 3.34Š| ||
| 1740 | P | 30.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 157.7 Ų | 157.7 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -86.6 | 115.8 | -166.1 | 32.9 | -30.6 | 0 | 0 | 0 | 111.3 | ||||
| 1741 | K | 27.5 | Very low | 27.8 | Very low | 185 Ų | 185 | 155.9 Ų | 155.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -114.2 | 114 | 165.2 | -81.8 | -175.5 | 175.8 | 179.4 | 0 | 108.4 | A1739 R1743 | A1739-K1741 PolarHBondContact O-N 3.34Å; K1741-R1743 PolarHBondContact O-N 3Å; K1741-R1743 VanDerWaalsContact O-N 3.09Å | ||
| 1742 | I | 27 | Very low | 28 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -61.9 | 104 | 171.2 | -62.4 | 165.5 | 0 | 0 | 0 | 107.5 | ||||
| 1743 | R | 26.3 | Very low | 28.3 | Very low | 218 Ų | 218 | 148.8 Ų | 148.8 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | -118.1 | 94.6 | 172 | -86.3 | -173.2 | 171.6 | 175.5 | -3 | 108.8 | K1741 A1745 | K1741-R1743 PolarHBondContact O-N 3Å; K1741-R1743 VanDerWaalsContact O-N 3.09Å; R1743-A1745 PolarHBondContact O-N 3.48Å | ||
| 1744 | L | 26.1 | Very low | 28.6 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -75.2 | 42.4 | 172.4 | -95.6 | 158.6 | 0 | 0 | 0 | 112.7 | ||||
| 1745 | A | 26.4 | Very low | 28.9 | Very low | 84 Ų | 84 | 149.1 Ų | 149.1 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -141.1 | 66.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R1743 | R1743-A1745 PolarHBondContact O-N 3.48Š|
| 1746 | K | 28.3 | Very low | 28.4 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 174.3 | 14.5 | 151.8 | -100.9 | 178.2 | 179 | -173 | 0 | 115.6 | W1748 | K1746-W1748 PolarHBondContact O-N 3.31Š|
| 1747 | A | 27.3 | Very low | 28.9 | Very low | 85 Ų | 85 | 146 Ų | 146 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 3.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1748 | W | 28.6 | Very low | 29.3 | Very low | 255 Ų | 255 | 136.8 Ų | 136.8 | 97% | 0.966 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 15.5 | 178.2 | -100.6 | 53.5 | 0 | 0 | 0 | 115 | K1746 | K1746-W1748 PolarHBondContact O-N 3.31Š|
| 1749 | Q | 32.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 69% | 0.687 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -127.1 | 5.2 | -177.3 | -99.4 | -176.5 | -18.7 | 0 | 0 | 118.3 | ||
| 1750 | H | 30.1 | Very low | 30.3 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -141.5 | 17.1 | 173.8 | -87.8 | -66.4 | 0 | 0 | 0 | 117.2 | S1752 | H1750-S1752 VanDerWaalsContact C-N 3.28Å; H1750-S1752 PolarHBondContact O-N 3.35Å |
| 1751 | V | 29.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | trans | -95 | 73.5 | 152.3 | -176.1 | 0 | 0 | 0 | 0 | 106.6 | L1753 | V1751-L1753 HydrophobicContact CG1-CB 4.45Å; V1751-L1753 HydrophobicContact CG1-CD1 3.7Å; V1751-L1753 HydrophobicContact CG1-CG 3.64Å; V1751-L1753 PolarHBondContact O-N 3.34Å | ||
| 1752 | S | 26.7 | Very low | 30.6 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -70.3 | 74.6 | 160.3 | 66.7 | 0 | 0 | 0 | 0 | 106.9 | H1750 N1754 | H1750-S1752 VanDerWaalsContact C-N 3.28Å; H1750-S1752 PolarHBondContact O-N 3.35Å; S1752-N1754 PolarHBondContact O-N 3.19Å | ||
| 1753 | L | 30 | Very low | 31 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 57% | 0.571 | 66% | 0.656 | S | S | * | * | trans | -56.8 | 111.5 | 158.2 | -86 | 154.5 | 0 | 0 | 0 | 104.8 | V1751 W1755 | V1751-L1753 HydrophobicContact CG1-CB 4.45Å; V1751-L1753 HydrophobicContact CG1-CD1 3.7Å; V1751-L1753 HydrophobicContact CG1-CG 3.64Å; V1751-L1753 PolarHBondContact O-N 3.34Å; L1753-W1755 HydrophobicContact CB-CD2 4.5Å; L1753-W1755 HydrophobicContact CB-CE3 3.79Å; L1753-W1755 HydrophobicContact CB-CH2 4.2Å; L1753-W1755 HydrophobicContact CB-CZ3 3.63Å; L1753-W1755 HydrophobicContact CD1-CH2 4.28Å; L1753-W1755 HydrophobicContact CD1-CZ3 4.41Å; L1753-W1755 HydrophobicContact CD2-CZ3 4.2Å; L1753-W1755 HydrophobicContact CG-CZ3 4.29Å; L1753-W1755 PolarHBondContact O-N 2.99Å | ||
| 1754 | N | 32.3 | Very low | 31.2 | Very low | 107 Ų | 107 | 123 Ų | 123 | 57% | 0.572 | 64% | 0.644 | S | S | * | * | trans | -65.2 | 84.4 | -175.5 | -171.7 | -1.7 | 0 | 0 | 0 | 107.7 | S1752 K1756 S1757 V1758 | S1752-N1754 PolarHBondContact O-N 3.19Å; N1754-K1756 PolarHBondContact O-N 3.35Å; N1754-K1756 WeakPolarHBondContact OD1-CB 3.29Å; N1754-K1756 PolarHBondContact OD1-N 2.96Å; N1754-S1757 WeakPolarHBondContact O-CA 3.38Å; N1754-S1757 WeakPolarHBondContact O-CB 3.45Å; N1754-S1757 PolarHBondContact O-N 3.39Å; N1754-S1757 PolarHBondContact OD1-N 3.18Å; N1754-V1758 PolarHBondContact O-N 2.93Å; N1754-V1758 VanDerWaalsContact O-N 3.15Å | ||
| 1755 | W | 30.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.3 | -15 | 177 | -90.3 | -170.8 | 0 | 0 | 0 | 112 | L1753 V1758 L1759 | L1753-W1755 HydrophobicContact CB-CD2 4.5Å; L1753-W1755 HydrophobicContact CB-CE3 3.79Å; L1753-W1755 HydrophobicContact CB-CH2 4.2Å; L1753-W1755 HydrophobicContact CB-CZ3 3.63Å; L1753-W1755 HydrophobicContact CD1-CH2 4.28Å; L1753-W1755 HydrophobicContact CD1-CZ3 4.41Å; L1753-W1755 HydrophobicContact CD2-CZ3 4.2Å; L1753-W1755 HydrophobicContact CG-CZ3 4.29Å; L1753-W1755 PolarHBondContact O-N 2.99Å; W1755-V1758 HydrophobicContact CE3-CB 3.81Å; W1755-V1758 HydrophobicContact CE3-CG1 4.36Å; W1755-V1758 HydrophobicContact CE3-CG2 3.63Å; W1755-V1758 HydrophobicContact CZ3-CB 4.08Å; W1755-V1758 HydrophobicContact CZ3-CG1 4.34Å; W1755-V1758 HydrophobicContact CZ3-CG2 3.55Å; W1755-L1759 WeakPolarHBondContact O-CB 3.29Å; W1755-L1759 WeakPolarHBondContact O-CD1 3.3Å; W1755-L1759 PolarHBondContact O-N 3.37Å |
| 1756 | K | 36.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.4 | -37.1 | 167.2 | -138.6 | -179.6 | 178.6 | -174.6 | 0 | 112.9 | N1754 E1760 | N1754-K1756 PolarHBondContact O-N 3.35Å; N1754-K1756 WeakPolarHBondContact OD1-CB 3.29Å; N1754-K1756 PolarHBondContact OD1-N 2.96Å; K1756-E1760 WeakPolarHBondContact O-CB 3.33Å; K1756-E1760 WeakPolarHBondContact O-CG 3.41Å; K1756-E1760 PolarHBondContact O-N 3.44Å |
| 1757 | S | 34.5 | Very low | 31 | Very low | 59 Ų | 59 | 121.7 Ų | 121.7 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.5 | -33.6 | 171.3 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | N1754 S1761 | N1754-S1757 WeakPolarHBondContact O-CA 3.38Å; N1754-S1757 WeakPolarHBondContact O-CB 3.45Å; N1754-S1757 PolarHBondContact O-N 3.39Å; N1754-S1757 PolarHBondContact OD1-N 3.18Å; S1757-S1761 WeakPolarHBondContact O-CB 3.25Å; S1757-S1761 PolarHBondContact O-N 3.33Å; S1757-S1761 PolarHBondContact O-OG 3.04Å |
| 1758 | V | 34.3 | Very low | 30.7 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 37% | 0.37 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -76.3 | -35.8 | 174.1 | 176 | 0 | 0 | 0 | 0 | 112.4 | N1754 W1755 L1762 | N1754-V1758 PolarHBondContact O-N 2.93Å; N1754-V1758 VanDerWaalsContact O-N 3.15Å; W1755-V1758 HydrophobicContact CE3-CB 3.81Å; W1755-V1758 HydrophobicContact CE3-CG1 4.36Å; W1755-V1758 HydrophobicContact CE3-CG2 3.63Å; W1755-V1758 HydrophobicContact CZ3-CB 4.08Å; W1755-V1758 HydrophobicContact CZ3-CG1 4.34Å; W1755-V1758 HydrophobicContact CZ3-CG2 3.55Å; V1758-L1762 HydrophobicContact CG1-CD1 3.94Å; V1758-L1762 VanDerWaalsContact O-CB 3.28Å; V1758-L1762 WeakPolarHBondContact O-CB 3.43Å; V1758-L1762 VanDerWaalsContact O-CG 3.31Å; V1758-L1762 WeakPolarHBondContact O-CG 3.47Å; V1758-L1762 PolarHBondContact O-N 2.88Å |
| 1759 | L | 34 | Very low | 30.5 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 52% | 0.518 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74.1 | -34.6 | 172.7 | -87.2 | 149.7 | 0 | 0 | 0 | 112.6 | W1755 L1762 Q1763 | W1755-L1759 WeakPolarHBondContact O-CB 3.29Å; W1755-L1759 WeakPolarHBondContact O-CD1 3.3Å; W1755-L1759 PolarHBondContact O-N 3.37Å; L1759-L1762 PolarHBondContact O-N 2.72Å; L1759-Q1763 WeakPolarHBondContact O-CB 3.39Å; L1759-Q1763 WeakPolarHBondContact O-CG 3.49Å; L1759-Q1763 PolarHBondContact O-N 3.25Å |
| 1760 | E | 37.6 | Very low | 30 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 52% | 0.519 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -74 | -29.4 | 173.2 | -72.4 | 169.8 | -175.6 | 0 | 0 | 111.4 | K1756 S1764 | K1756-E1760 WeakPolarHBondContact O-CB 3.33Å; K1756-E1760 WeakPolarHBondContact O-CG 3.41Å; K1756-E1760 PolarHBondContact O-N 3.44Å; E1760-S1764 PolarHBondContact O-N 2.82Å; E1760-S1764 PolarHBondContact O-OG 3.47Å |
| 1761 | S | 35.8 | Very low | 29.8 | Very low | 69 Ų | 69 | 115.2 Ų | 115.2 | 48% | 0.483 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.9 | -26.7 | 170.7 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | S1757 S1764 | S1757-S1761 WeakPolarHBondContact O-CB 3.25Å; S1757-S1761 PolarHBondContact O-N 3.33Å; S1757-S1761 PolarHBondContact O-OG 3.04Å; S1761-S1764 PolarHBondContact O-OG 3.46Å |
| 1762 | L | 28.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84.7 | -19.8 | 173 | -77.7 | 166.9 | 0 | 0 | 0 | 113.2 | V1758 L1759 | V1758-L1762 HydrophobicContact CG1-CD1 3.94Å; V1758-L1762 VanDerWaalsContact O-CB 3.28Å; V1758-L1762 WeakPolarHBondContact O-CB 3.43Å; V1758-L1762 VanDerWaalsContact O-CG 3.31Å; V1758-L1762 WeakPolarHBondContact O-CG 3.47Å; V1758-L1762 PolarHBondContact O-N 2.88Å; L1759-L1762 PolarHBondContact O-N 2.72Å |
| 1763 | Q | 35.2 | Very low | 29.4 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -87.9 | -0.4 | 171.2 | -76.7 | -174.2 | -24.5 | 0 | 0 | 114 | L1759 | L1759-Q1763 WeakPolarHBondContact O-CB 3.39Å; L1759-Q1763 WeakPolarHBondContact O-CG 3.49Å; L1759-Q1763 PolarHBondContact O-N 3.25Å |
| 1764 | S | 30.4 | Very low | 29.2 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -111.1 | 12.3 | 177.3 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | E1760 S1761 T1766 | E1760-S1764 PolarHBondContact O-N 2.82Å; E1760-S1764 PolarHBondContact O-OG 3.47Å; S1761-S1764 PolarHBondContact O-OG 3.46Å; S1764-T1766 VanDerWaalsContact C-N 3.32Å; S1764-T1766 PolarHBondContact O-N 3.35Å |
| 1765 | V | 26.8 | Very low | 28.8 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | trans | -93.5 | 72.5 | 165.5 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1766 | T | 24.1 | Very low | 28.6 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | trans | -92.2 | 114.2 | 160.5 | 44.3 | 0 | 0 | 0 | 0 | 108.6 | S1764 | S1764-T1766 VanDerWaalsContact C-N 3.32Å; S1764-T1766 PolarHBondContact O-N 3.35Å | ||
| 1767 | L | 25.4 | Very low | 28 | Very low | 161 Ų | 161 | 122 Ų | 122 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | trans | -152.1 | 77.7 | 166.3 | -98.2 | 153.8 | 0 | 0 | 0 | 104.4 | ||||
| 1768 | E | 21.6 | Very low | 27.5 | Very low | 172 Ų | 172 | 124.5 Ų | 124.5 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | 48.4 | 126.1 | 81 | -99.4 | -171.6 | -176 | 0 | 0 | 115.3 | |||||
| 1769 | S | 23.7 | Very low | 27.3 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | 69.4 | 104.7 | 165.3 | 62.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1770 | A | 22.6 | Very low | 26.8 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | 52.4 | 94.9 | 74.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1771 | N | 26.7 | Very low | 26.2 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -140.5 | 102.7 | 151.1 | -90.2 | -27.1 | 0 | 0 | 0 | 107.7 | ||||
| 1772 | E | 21.3 | Very low | 25.6 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -48 | 142.3 | 157 | -60.2 | 171.7 | 139.3 | 0 | 0 | 110 | ||||
| 1773 | E | 25.3 | Very low | 25.3 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -168.4 | 98.1 | 136.6 | -107.4 | 172 | -162.7 | 0 | 0 | 111.3 | ||||
| 1774 | H | 26.5 | Very low | 24.8 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | 55.1 | 106.3 | 130.5 | -66.5 | -55.3 | 0 | 0 | 0 | 122.7 | ||||
| 1775 | S | 22.9 | Very low | 24.4 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 65.1 | 114.3 | 120.3 | 69.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1776 | S | 27.7 | Very low | 24.2 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | -164.8 | 119.8 | 115.1 | 60.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 1777 | S | 22.9 | Very low | 24.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -69.7 | 140.4 | 178 | 50.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1778 | S | 25 | Very low | 24 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -155.6 | 131.7 | 138.5 | 59.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1779 | P | 29.6 | Very low | 24.1 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -84.4 | 141.2 | -154.9 | 33 | -34.5 | 0 | 0 | 0 | 113.7 | H1781 | P1779-H1781 PolarHBondContact O-N 3.21Š| ||
| 1780 | T | 23.4 | Very low | 24 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -59.2 | 107.2 | 163.6 | 35.6 | 0 | 0 | 0 | 0 | 110.9 | Q1782 | T1780-Q1782 PolarHBondContact O-N 3.19Š| ||
| 1781 | H | 25.4 | Very low | 23.9 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | trans | -72.9 | 111.8 | 158.3 | -100.5 | -77.1 | 0 | 0 | 0 | 108.3 | P1779 A1783 | P1779-H1781 PolarHBondContact O-N 3.21Å; H1781-A1783 PolarHBondContact O-N 3.17Å | ||
| 1782 | Q | 22.7 | Very low | 23.6 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -54.8 | 103.1 | 168.2 | -69.1 | 170.9 | -20.7 | 0 | 0 | 109.6 | T1780 T1784 | T1780-Q1782 PolarHBondContact O-N 3.19Å; Q1782-T1784 PolarHBondContact O-N 3.38Å | ||
| 1783 | A | 22.5 | Very low | 23.6 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -82.7 | 94.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107 | H1781 T1785 | H1781-A1783 PolarHBondContact O-N 3.17Å; A1783-T1785 PolarHBondContact O-N 3.01Å | ||
| 1784 | T | 25.2 | Very low | 23.4 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -53.1 | 116.7 | 164.5 | 38.8 | 0 | 0 | 0 | 0 | 109.2 | Q1782 L1786 | Q1782-T1784 PolarHBondContact O-N 3.38Å; T1784-L1786 PolarHBondContact O-N 3.42Å; T1784-L1786 VanDerWaalsContact O-N 3.16Å | ||
| 1785 | T | 21 | Very low | 23.2 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -36.1 | 110.7 | 159.1 | 33 | 0 | 0 | 0 | 0 | 110.9 | A1783 | A1783-T1785 PolarHBondContact O-N 3.01Š| ||
| 1786 | L | 22.3 | Very low | 23.2 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -110.3 | 120.2 | 167.6 | -126.7 | 143.4 | 0 | 0 | 0 | 106.2 | T1784 | T1784-L1786 PolarHBondContact O-N 3.42Å; T1784-L1786 VanDerWaalsContact O-N 3.16Å | ||
| 1787 | D | 24.5 | Very low | 23.1 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -53.9 | 138.4 | -166.2 | -65.2 | -56.1 | 0 | 0 | 0 | 113.7 | F1789 | D1787-F1789 PolarHBondContact O-N 2.97Š| ||
| 1788 | F | 22 | Very low | 23.3 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -57.7 | 98.9 | 174.2 | -91.6 | -96.7 | 0 | 0 | 0 | 110.1 | T1790 | F1788-T1790 PolarHBondContact O-N 3.19Š| ||
| 1789 | F | 22.3 | Very low | 23.3 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -64.2 | 120.6 | 164.8 | -94.6 | -90 | 0 | 0 | 0 | 109.8 | D1787 L1791 | D1787-F1789 PolarHBondContact O-N 2.97Å; F1789-L1791 PolarHBondContact O-N 2.99Å | ||
| 1790 | T | 21.8 | Very low | 23 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -54.5 | 102.6 | 166.6 | 9.7 | 0 | 0 | 0 | 0 | 110 | F1788 S1792 | F1788-T1790 PolarHBondContact O-N 3.19Å; T1790-S1792 VanDerWaalsContact C-N 3.28Å; T1790-S1792 PolarHBondContact O-N 3.35Å | ||
| 1791 | L | 20.3 | Very low | 23.1 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -66 | 85.9 | 170.4 | -108.6 | 144.6 | 0 | 0 | 0 | 109.4 | F1789 V1793 | F1789-L1791 PolarHBondContact O-N 2.99Å; L1791-V1793 PolarHBondContact O-N 3.45Å | ||
| 1792 | S | 21 | Very low | 23 | Very low | 83 Ų | 83 | 153.2 Ų | 153.2 | 58% | 0.58 | 83% | 0.828 | S | S | * | * | trans | -80.7 | 97.8 | 166.6 | -54.9 | 0 | 0 | 0 | 0 | 107.2 | T1790 H1794 | T1790-S1792 VanDerWaalsContact C-N 3.28Å; T1790-S1792 PolarHBondContact O-N 3.35Å; S1792-H1794 PolarHBondContact O-N 3Å | ||
| 1793 | V | 20.9 | Very low | 23 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | trans | -64.6 | 103.1 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | L1791 M1795 | L1791-V1793 PolarHBondContact O-N 3.45Å; V1793-M1795 HydrophobicContact CG1-CG 4.39Å; V1793-M1795 PolarHBondContact O-N 3.22Å | ||
| 1794 | H | 21.1 | Very low | 23.1 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 78% | 0.778 | 83% | 0.829 | S | S | * | * | trans | -72.3 | 104.5 | 167 | -84.8 | -7.8 | 0 | 0 | 0 | 108.8 | S1792 | S1792-H1794 PolarHBondContact O-N 3Š| ||
| 1795 | M | 22.8 | Very low | 22.9 | Very low | 166 Ų | 166 | 157.1 Ų | 157.1 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -93.9 | 97.8 | 157.1 | -78.8 | -156 | 166.4 | 0 | 0 | 108 | V1793 T1797 | V1793-M1795 HydrophobicContact CG1-CG 4.39Å; V1793-M1795 PolarHBondContact O-N 3.22Å; M1795-T1797 PolarHBondContact O-N 3.47Å | ||
| 1796 | E | 22.9 | Very low | 23 | Very low | 174 Ų | 174 | 158.7 Ų | 158.7 | 81% | 0.813 | 84% | 0.837 | S | S | * | * | trans | -67.4 | 103.8 | 166.4 | -74.1 | 176.3 | 152 | 0 | 0 | 108.9 | ||||
| 1797 | T | 26.1 | Very low | 23.1 | Very low | 126 Ų | 126 | 159.1 Ų | 159.1 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -93.9 | 105.7 | 163.6 | 46.7 | 0 | 0 | 0 | 0 | 108.3 | M1795 M1799 | M1795-T1797 PolarHBondContact O-N 3.47Å; T1797-M1799 PolarHBondContact O-N 3.03Å | ||
| 1798 | N | 26.6 | Very low | 23 | Very low | 160 Ų | 160 | 160.6 Ų | 160.6 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | -51.7 | 119.3 | 173.9 | -84.2 | -33.5 | 0 | 0 | 0 | 111.1 | ||||
| 1799 | M | 23.8 | Very low | 23.1 | Very low | 189 Ų | 189 | 156.6 Ų | 156.6 | 93% | 0.931 | 84% | 0.841 | S | S | * | * | trans | -81.2 | 108.4 | 163.5 | -77.7 | -146.3 | -86.9 | 0 | 0 | 109.4 | T1797 | T1797-M1799 PolarHBondContact O-N 3.03Š| ||
| 1800 | E | 23.8 | Very low | 23.1 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 84% | 0.844 | S | S | * | * | trans | -140 | 136 | 151.2 | -78.4 | -167.5 | 155.7 | 0 | 0 | 109.2 | ||||
| 1801 | S | 26.4 | Very low | 23.3 | Very low | 202 Ų | 202 | 157 Ų | 157 | 100% | 1.413 | 85% | 0.85 | S | S | * | * | trans | 73.6 | 0 | -179.3 | 83.6 | 0 | 0 | 0 | 0 | 118.2 |
Retrieved 1,801 of 1,801 residues in 526.3 ms
(Link to these results)