| 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 | 39.5 | Very low | 51.3 | Low | 138 Ų | 138 | 92.5 Ų | 92.5 | 68% | 0.68 | 50% | 0.498 | S | S | * | . | 0 | 111.7 | 0 | -69.3 | -177.9 | -157.1 | 0 | 0 | 110 | S3 P418 M791 | M1-S3 PolarHBondContact O-N 3.13Å; M1-P418 HydrophobicContact SD-CB 4.5Å; M1-P418 HydrophobicContact SD-CG 4.43Å; M1-M791 HydrophobicContact CE-CG 4.21Å | |||
| 2 | T | 31.1 | Very low | 54.1 | Low | 112 Ų | 112 | 93.7 Ų | 93.7 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | trans | -71.1 | 116.7 | 173.3 | 45.1 | 0 | 0 | 0 | 0 | 109.6 | E4 | T2-E4 PolarHBondContact O-N 3.18Š| ||
| 3 | S | 39.2 | Very low | 56.6 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -12.4 | -179.6 | 52.5 | 0 | 0 | 0 | 0 | 115 | M1 W5 G6 | M1-S3 PolarHBondContact O-N 3.13Å; S3-W5 VanDerWaalsContact C-N 3.29Å; S3-W5 PolarHBondContact O-N 3.42Å; S3-G6 PolarHBondContact O-N 2.97Å |
| 4 | E | 42.2 | Very low | 59.1 | Low | 125 Ų | 125 | 82.9 Ų | 82.9 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.6 | -23.3 | -173.7 | -72 | -164.5 | 155.5 | 0 | 0 | 115.4 | T2 K8 | T2-E4 PolarHBondContact O-N 3.18Å; E4-K8 WeakPolarHBondContact O-CD 3.41Å; E4-K8 WeakPolarHBondContact O-CE 3.34Å; E4-K8 WeakPolarHBondContact O-CG 3.35Å |
| 5 | W | 44.1 | Very low | 61.1 | Low | 125 Ų | 125 | 83.4 Ų | 83.4 | 47% | 0.473 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -89.7 | -30.4 | -179.3 | -78.3 | 78.1 | 0 | 0 | 0 | 113.3 | S3 H746 R799 | S3-W5 VanDerWaalsContact C-N 3.29Å; S3-W5 PolarHBondContact O-N 3.42Å; W5-H746 AromaticContact CH2-CE1 3.24Å; W5-H746 WeakPolarHBondContact CH2-CE1 3.46Å; W5-H746 AromaticContact CH2-NE2 3.8Å; W5-H746 AromaticContact CZ3-CE1 3.38Å; W5-H746 WeakPolarHBondContact CZ3-CE1 3.11Å; W5-R799 PolarHBondContact O-NH2 3.48Å |
| 6 | G | 44.1 | Very low | 63.1 | Low | 26 Ų | 26 | 84.6 Ų | 84.6 | 27% | 0.268 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.7 | -52.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S3 | S3-G6 PolarHBondContact O-N 2.97Å |
| 7 | E | 51.2 | Low | 64.8 | Low | 155 Ų | 155 | 81.1 Ų | 81.1 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.5 | -31.7 | -176 | -70 | -177 | 161.6 | 0 | 0 | 112.9 | S9 A11 | E7-S9 PolarHBondContact O-N 3.22Å; E7-A11 VanDerWaalsContact O-CB 3.24Å; E7-A11 WeakPolarHBondContact O-CB 3.45Å; E7-A11 PolarHBondContact O-N 2.86Å |
| 8 | K | 58.2 | Low | 66.3 | Low | 120 Ų | 120 | 79.8 Ų | 79.8 | 52% | 0.522 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | -178.7 | -77 | -179.6 | -171.6 | 167.6 | 0 | 112.8 | E4 A11 D12 | E4-K8 WeakPolarHBondContact O-CD 3.41Å; E4-K8 WeakPolarHBondContact O-CE 3.34Å; E4-K8 WeakPolarHBondContact O-CG 3.35Å; K8-A11 WeakPolarHBondContact O-CB 3.45Å; K8-A11 PolarHBondContact O-N 2.99Å; K8-D12 WeakPolarHBondContact O-CB 3.47Å; K8-D12 PolarHBondContact O-N 3.12Å |
| 9 | S | 66.6 | Low | 67.4 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -74 | -43.5 | -173.2 | -170.4 | 0 | 0 | 0 | 0 | 114.4 | E7 A11 D12 L13 E803 | E7-S9 PolarHBondContact O-N 3.22Å; S9-A11 VanDerWaalsContact C-N 3.28Å; S9-A11 PolarHBondContact O-N 2.95Å; S9-D12 WeakPolarHBondContact O-CB 3.28Å; S9-D12 PolarHBondContact O-N 2.81Å; S9-D12 VanDerWaalsContact O-N 3.13Å; S9-L13 PolarHBondContact O-N 3.45Å; S9-E803 VanDerWaalsContact CB-OE2 3.32Å; S9-E803 WeakPolarHBondContact CB-OE2 3.38Å; S9-E803 PolarHBondContact OG-OE1 2.98Å; S9-E803 PolarHBondContact OG-OE2 3.18Å |
| 10 | T | 71.3 | Confident | 68.2 | Low | 48 Ų | 48 | 82.7 Ų | 82.7 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 173.7 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | D12 L13 M14 R32 | T10-D12 VanDerWaalsContact C-N 3.28Å; T10-D12 PolarHBondContact O-N 3.01Å; T10-L13 PolarHBondContact O-N 3.31Å; T10-M14 HydrophobicContact CG2-CG 4.38Å; T10-M14 VanDerWaalsContact O-CB 3.26Å; T10-M14 WeakPolarHBondContact O-CB 3.33Å; T10-M14 WeakPolarHBondContact O-CG 3.47Å; T10-M14 PolarHBondContact O-N 3.25Å; T10-R32 HydrophobicContact CG2-CB 4.34Å |
| 11 | A | 77.5 | Confident | 69 | Low | 58 Ų | 58 | 80.9 Ų | 80.9 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60 | -39 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E7 K8 S9 M14 S15 | E7-A11 VanDerWaalsContact O-CB 3.24Å; E7-A11 WeakPolarHBondContact O-CB 3.45Å; E7-A11 PolarHBondContact O-N 2.86Å; K8-A11 WeakPolarHBondContact O-CB 3.45Å; K8-A11 PolarHBondContact O-N 2.99Å; S9-A11 VanDerWaalsContact C-N 3.28Å; S9-A11 PolarHBondContact O-N 2.95Å; A11-M14 CarbonylContact O-C 3.58Å; A11-M14 PolarHBondContact O-N 2.93Å; A11-S15 WeakPolarHBondContact O-CA 2.87Å; A11-S15 WeakPolarHBondContact O-CB 3.41Å; A11-S15 PolarHBondContact O-N 3.06Å |
| 12 | D | 83.8 | Confident | 71.4 | Confident | 107 Ų | 107 | 78.3 Ų | 78.3 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.9 | -46.3 | 176.4 | -71.1 | -22.1 | 0 | 0 | 0 | 112.4 | K8 S9 T10 M14 S15 | K8-D12 WeakPolarHBondContact O-CB 3.47Å; K8-D12 PolarHBondContact O-N 3.12Å; S9-D12 WeakPolarHBondContact O-CB 3.28Å; S9-D12 PolarHBondContact O-N 2.81Å; S9-D12 VanDerWaalsContact O-N 3.13Å; T10-D12 VanDerWaalsContact C-N 3.28Å; T10-D12 PolarHBondContact O-N 3.01Å; D12-M14 PolarHBondContact O-N 3.15Å; D12-S15 WeakPolarHBondContact O-CB 3.27Å; D12-S15 PolarHBondContact O-N 3.17Å; D12-S15 PolarHBondContact O-OG 3.35Å |
| 13 | L | 87.1 | Confident | 74.4 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.3 | -30.3 | 175.5 | -72.9 | 177.4 | 0 | 0 | 0 | 112.7 | S9 T10 E803 | S9-L13 PolarHBondContact O-N 3.45Å; T10-L13 PolarHBondContact O-N 3.31Å; L13-E803 HydrophobicContact CD1-CB 4.2Å; L13-E803 HydrophobicContact CD1-CG 4.08Å |
| 14 | M | 91.5 | Very high | 77.1 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 1.6 | 179.3 | -68.5 | -63.3 | -68.7 | 0 | 0 | 113.9 | T10 A11 D12 R16 Y17 R32 C34 F172 | T10-M14 HydrophobicContact CG2-CG 4.38Å; T10-M14 VanDerWaalsContact O-CB 3.26Å; T10-M14 WeakPolarHBondContact O-CB 3.33Å; T10-M14 WeakPolarHBondContact O-CG 3.47Å; T10-M14 PolarHBondContact O-N 3.25Å; A11-M14 CarbonylContact O-C 3.58Å; A11-M14 PolarHBondContact O-N 2.93Å; D12-M14 PolarHBondContact O-N 3.15Å; M14-R16 PolarHBondContact O-N 2.94Å; M14-R16 VanDerWaalsContact O-N 3.08Å; M14-Y17 HydrophobicContact CE-CD1 3.39Å; M14-Y17 HydrophobicContact CE-CD2 4.44Å; M14-Y17 HydrophobicContact CE-CE1 4.14Å; M14-Y17 HydrophobicContact CE-CG 3.56Å; M14-Y17 VanDerWaalsContact O-CB 3.31Å; M14-Y17 WeakPolarHBondContact O-CB 3.48Å; M14-Y17 PolarHBondContact O-N 2.99Å; M14-R32 HydrophobicContact CE-CG 4.2Å; M14-R32 HydrophobicContact CG-CB 4.49Å; M14-R32 HydrophobicContact CG-CG 4.16Å; M14-R32 HydrophobicContact SD-CB 4.4Å; M14-R32 HydrophobicContact SD-CG 3.6Å; M14-R32 VanDerWaalsContact SD-CG 3.6Å; M14-C34 HydrophobicContact SD-CB 4.42Å; M14-F172 HydrophobicContact CE-CB 3.67Å; M14-F172 HydrophobicContact CE-CD1 3.83Å; M14-F172 HydrophobicContact CE-CD2 4.42Å; M14-F172 HydrophobicContact CE-CG 3.72Å; M14-F172 HydrophobicContact SD-CB 3.88Å; M14-F172 HydrophobicContact SD-CG 4.36Å |
| 15 | S | 89.9 | Confident | 79.5 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -25.4 | -174.9 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | A11 D12 | A11-S15 WeakPolarHBondContact O-CA 2.87Å; A11-S15 WeakPolarHBondContact O-CB 3.41Å; A11-S15 PolarHBondContact O-N 3.06Å; D12-S15 WeakPolarHBondContact O-CB 3.27Å; D12-S15 PolarHBondContact O-N 3.17Å; D12-S15 PolarHBondContact O-OG 3.35Å |
| 16 | R | 92 | Very high | 82.1 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8 | 175.9 | -67.3 | -171.3 | 66.4 | 172.5 | 5.2 | 114.2 | M14 A18 C34 A36 E169 | M14-R16 PolarHBondContact O-N 2.94Å; M14-R16 VanDerWaalsContact O-N 3.08Å; R16-A18 PolarHBondContact O-N 2.9Å; R16-C34 HydrophobicContact CB-CB 4.48Å; R16-A36 PolarHBondContact NH1-O 2.64Å; R16-E169 IonicContact CZ-OE1 2.76Å; R16-E169 IonicContact NE-OE1 3.37Å; R16-E169 IonicContact NH2-OE1 3.03Å; R16-E169 PolarHBondContact NH2-OE1 3.05Å; R16-E169 WeakPolarHBondContact O-CB 3.31Å |
| 17 | Y | 93.1 | Very high | 84.5 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | trans | -75.4 | 118 | 179.5 | -175.9 | -123.7 | 0 | 0 | 0 | 109.6 | M14 S19 E21 E169 F172 | M14-Y17 HydrophobicContact CE-CD1 3.39Å; M14-Y17 HydrophobicContact CE-CD2 4.44Å; M14-Y17 HydrophobicContact CE-CE1 4.14Å; M14-Y17 HydrophobicContact CE-CG 3.56Å; M14-Y17 VanDerWaalsContact O-CB 3.31Å; M14-Y17 WeakPolarHBondContact O-CB 3.48Å; M14-Y17 PolarHBondContact O-N 2.99Å; Y17-S19 WeakPolarHBondContact CD1-O 3.37Å; Y17-S19 WeakPolarHBondContact CE1-O 3.5Å; Y17-S19 VanDerWaalsContact OH-CB 3.3Å; Y17-S19 WeakPolarHBondContact OH-CB 3.45Å; Y17-E21 WeakPolarHBondContact CE1-O 3.3Å; Y17-E21 PolarHBondContact OH-O 2.82Å; Y17-E169 CarbonylContact C-O 3.58Å; Y17-E169 WeakPolarHBondContact CA-O 3.45Å; Y17-E169 VanDerWaalsContact CD2-O 3.28Å; Y17-E169 WeakPolarHBondContact CD2-O 3.41Å; Y17-F172 HydrophobicContact CD1-CD1 4.1Å; Y17-F172 HydrophobicContact CD2-CB 4.39Å; Y17-F172 HydrophobicContact CD2-CD1 4.18Å; Y17-F172 AromaticContact CE1-CD1 3.56Å; Y17-F172 HydrophobicContact CE1-CD1 3.56Å; Y17-F172 AromaticContact CE1-CE1 3.8Å; Y17-F172 HydrophobicContact CE1-CE1 3.8Å; Y17-F172 AromaticContact CE2-CD1 3.69Å; Y17-F172 HydrophobicContact CE2-CD1 3.69Å; Y17-F172 HydrophobicContact CE2-CE1 4.48Å; Y17-F172 HydrophobicContact CG-CD1 4.37Å; Y17-F172 AromaticContact CZ-CD1 3.33Å; Y17-F172 AromaticContact CZ-CE1 3.71Å | ||
| 18 | A | 91.6 | Very high | 86.4 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 49% | 0.488 | 36% | 0.363 | S | S | . | . | trans | -79.4 | -25.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R16 E169 Y170 | R16-A18 PolarHBondContact O-N 2.9Å; A18-E169 PolarHBondContact N-O 3.1Å; A18-Y170 HydrophobicContact CB-CD1 4.09Å; A18-Y170 HydrophobicContact CB-CE1 3.86Å | ||
| 19 | S | 86.8 | Confident | 88.1 | Confident | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | trans | -86.9 | 157.4 | -179.8 | -163 | 0 | 0 | 0 | 0 | 112.1 | Y17 E21 Q185 | Y17-S19 WeakPolarHBondContact CD1-O 3.37Å; Y17-S19 WeakPolarHBondContact CE1-O 3.5Å; Y17-S19 VanDerWaalsContact OH-CB 3.3Å; Y17-S19 WeakPolarHBondContact OH-CB 3.45Å; S19-E21 WeakPolarHBondContact OG-CB 3.38Å; S19-E21 WeakPolarHBondContact OG-CG 3.24Å; S19-E21 PolarHBondContact OG-N 2.76Å; S19-E21 VanDerWaalsContact OG-N 3.14Å; S19-Q185 PolarHBondContact OG-OE1 3.46Å | ||
| 20 | K | 83.1 | Confident | 89.5 | Confident | 204 Ų | 204 | 61.6 Ų | 61.6 | 89% | 0.887 | 34% | 0.343 | S | S | * | . | trans | -98.8 | -0.6 | 166.7 | -63.8 | -176.3 | 179.8 | -179.4 | 0 | 112.6 | ||||
| 21 | E | 85.7 | Confident | 90.7 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | trans | -75.2 | 138.3 | -177.9 | -63.4 | 177.6 | 164.6 | 0 | 0 | 110.8 | Y17 S19 F172 T192 K223 | Y17-E21 WeakPolarHBondContact CE1-O 3.3Å; Y17-E21 PolarHBondContact OH-O 2.82Å; S19-E21 WeakPolarHBondContact OG-CB 3.38Å; S19-E21 WeakPolarHBondContact OG-CG 3.24Å; S19-E21 PolarHBondContact OG-N 2.76Å; S19-E21 VanDerWaalsContact OG-N 3.14Å; E21-F172 WeakPolarHBondContact O-CE1 3.5Å; E21-T192 WeakPolarHBondContact OE2-CG2 3.49Å; E21-T192 PolarHBondContact OE2-OG1 2.88Å; E21-K223 IonicContact OE1-NZ 3.14Å; E21-K223 PolarHBondContact OE1-NZ 2.93Å; E21-K223 IonicContact OE2-NZ 3.84Å; E21-K223 PolarHBondContact OE2-NZ 3.11Å | ||
| 22 | M | 90.5 | Very high | 91.6 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 41% | 0.414 | 31% | 0.312 | S | S | . | . | trans | -97.6 | -8.4 | 179.3 | -67.9 | -63.7 | -60.2 | 0 | 0 | 112.7 | V26 R32 F172 | M22-V26 VanDerWaalsContact O-CB 3.3Å; M22-V26 WeakPolarHBondContact O-CB 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.35Å; M22-R32 VanDerWaalsContact CE-NH1 3.27Å; M22-F172 WeakPolarHBondContact O-CZ 3.34Å | ||
| 23 | G | 93.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 53 Ų | 53 | 19% | 0.186 | 29% | 0.285 | C | S | . | . | trans | 70.6 | 164.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T194 | G23-T194 VanDerWaalsContact CA-OG1 3.27Å; G23-T194 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 24 | Q | 94.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 128.9 | -179.1 | -178.2 | 61.4 | 19.1 | 0 | 0 | 111.3 | V26 T194 D219 E221 L348 | Q24-V26 PolarHBondContact O-N 2.57Å; Q24-V26 VanDerWaalsContact O-N 3.15Å; Q24-T194 PolarHBondContact N-OG1 3.37Å; Q24-T194 VanDerWaalsContact N-OG1 3.16Å; Q24-T194 WeakPolarHBondContact O-CG2 3.2Å; Q24-D219 HydrophobicContact CB-CB 3.93Å; Q24-D219 HydrophobicContact CG-CB 4.14Å; Q24-E221 PolarHBondContact N-OE1 2.83Å; Q24-L348 HydrophobicContact CB-CD1 4.48Å; Q24-L348 HydrophobicContact CG-CD1 4.39Å; Q24-L348 HydrophobicContact CG-CD2 4.17Å |
| 25 | G | 93.9 | Very high | 93 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 14.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | W181 | G25-W181 PolarHBondContact O-NE1 2.8Š|
| 26 | V | 96.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | trans | -75.8 | 125.7 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | M22 Q24 F172 H174 W181 V183 T194 | M22-V26 VanDerWaalsContact O-CB 3.3Å; M22-V26 WeakPolarHBondContact O-CB 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.35Å; Q24-V26 PolarHBondContact O-N 2.57Å; Q24-V26 VanDerWaalsContact O-N 3.15Å; V26-F172 HydrophobicContact CG1-CE2 4.27Å; V26-H174 HydrophobicContact CG1-CB 4Å; V26-W181 HydrophobicContact CG1-CG 4.46Å; V26-W181 HydrophobicContact CG2-CB 3.98Å; V26-W181 HydrophobicContact CG2-CG 3.91Å; V26-V183 HydrophobicContact CG2-CG2 3.82Å; V26-T194 HydrophobicContact CG2-CG2 4.01Å | ||
| 27 | P | 94.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | trans | -67.6 | 157.2 | 179.2 | 24.8 | -30 | 0 | 0 | 0 | 111.9 | R32 H174 L176 W181 | P27-R32 PolarHBondContact O-NH2 2.78Å; P27-R32 VanDerWaalsContact O-NH2 3.13Å; P27-H174 PolarHBondContact O-NE2 2.76Å; P27-L176 HydrophobicContact CB-CD2 4.32Å; P27-L176 HydrophobicContact CG-CB 4.48Å; P27-L176 HydrophobicContact CG-CD2 4.07Å; P27-W181 VanDerWaalsContact CD-CZ2 3.46Å; P27-W181 HydrophobicContact CG-CE3 4.23Å; P27-W181 HydrophobicContact CG-CH2 3.51Å; P27-W181 HydrophobicContact CG-CZ2 3.99Å; P27-W181 HydrophobicContact CG-CZ3 3.64Å | ||
| 28 | K | 92.3 | Very high | 93.5 | Very high | 175 Ų | 175 | 49.6 Ų | 49.6 | 76% | 0.761 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -67.3 | -47.5 | 176.7 | -176.4 | -175.2 | 174.7 | -169.3 | 0 | 111.1 | R32 | K28-R32 PolarHBondContact O-NH2 3.11Š|
| 29 | E | 94.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -88.6 | 146.6 | -175.4 | -52 | -58.5 | 157.8 | 0 | 0 | 111.4 | H174 L412 P419 K422 | E29-H174 PolarHBondContact O-CE1 3.16Å; E29-H174 PolarHBondContact O-NE2 2.94Å; E29-L412 HydrophobicContact CB-CD2 3.85Å; E29-L412 HydrophobicContact CG-CD2 4.15Å; E29-P419 WeakPolarHBondContact OE2-CA 3.35Å; E29-P419 WeakPolarHBondContact OE2-CB 3.27Å; E29-K422 HydrophobicContact CB-CD 4.47Å; E29-K422 HydrophobicContact CG-CD 3.93Å |
| 30 | G | 94.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 134.5 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | A175 | G30-A175 WeakPolarHBondContact CA-O 3.22Š|
| 31 | W | 96.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 119.3 | 178.2 | 179.9 | 62.7 | 0 | 0 | 0 | 109.7 | I33 F39 W111 Y173 H174 A175 S423 W802 A808 F809 | W31-I33 HydrophobicContact CH2-CD1 4.25Å; W31-I33 HydrophobicContact CH2-CG2 3.94Å; W31-I33 HydrophobicContact CZ2-CB 4.28Å; W31-I33 HydrophobicContact CZ2-CD1 3.84Å; W31-I33 HydrophobicContact CZ2-CG2 4.1Å; W31-I33 HydrophobicContact CZ3-CG2 4.17Å; W31-F39 HydrophobicContact CZ2-CZ 4.2Å; W31-W111 HydrophobicContact CH2-CB 4.4Å; W31-W111 HydrophobicContact CH2-CG 4.23Å; W31-W111 HydrophobicContact CZ3-CB 4.23Å; W31-Y173 HydrophobicContact CE3-CD1 4.14Å; W31-Y173 HydrophobicContact CE3-CE1 4.03Å; W31-Y173 AromaticContact CZ3-CD1 3.93Å; W31-Y173 HydrophobicContact CZ3-CD1 3.93Å; W31-Y173 AromaticContact CZ3-CE1 3.87Å; W31-Y173 HydrophobicContact CZ3-CE1 3.87Å; W31-H174 CarbonylContact O-C 3.6Å; W31-H174 VanDerWaalsContact O-CA 3.24Å; W31-H174 WeakPolarHBondContact O-CA 3.45Å; W31-A175 HydrophobicContact CE3-CB 4.45Å; W31-A175 PolarHBondContact N-O 3.47Å; W31-A175 PolarHBondContact O-N 2.82Å; W31-S423 PolarHBondContact N-OG 3.43Å; W31-W802 HydrophobicContact CB-CE3 4.26Å; W31-W802 HydrophobicContact CB-CZ3 4.43Å; W31-W802 HydrophobicContact CD2-CE3 4.07Å; W31-W802 HydrophobicContact CD2-CZ3 4.33Å; W31-W802 HydrophobicContact CE3-CZ3 4.38Å; W31-W802 AromaticContact CG-CE3 3.93Å; W31-W802 HydrophobicContact CG-CE3 3.93Å; W31-W802 HydrophobicContact CG-CZ3 4.37Å; W31-W802 PolarHBondContact NE1-O 2.71Å; W31-A808 HydrophobicContact CD2-CB 4.21Å; W31-A808 HydrophobicContact CE3-CB 4.06Å; W31-A808 HydrophobicContact CH2-CB 3.48Å; W31-A808 VanDerWaalsContact CH2-CB 3.48Å; W31-A808 HydrophobicContact CZ2-CB 3.63Å; W31-A808 HydrophobicContact CZ3-CB 3.71Å; W31-F809 AromaticContact CE3-CE2 3.86Å; W31-F809 HydrophobicContact CE3-CE2 3.86Å; W31-F809 HydrophobicContact CZ3-CD2 4.33Å; W31-F809 AromaticContact CZ3-CE2 3.91Å; W31-F809 HydrophobicContact CZ3-CE2 3.91Å |
| 32 | R | 96.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.6 | -179.2 | -160.1 | 179.8 | -70.9 | 133.5 | 9.3 | 111.4 | T10 M14 M22 P27 K28 F172 Y173 H174 | T10-R32 HydrophobicContact CG2-CB 4.34Å; M14-R32 HydrophobicContact CE-CG 4.2Å; M14-R32 HydrophobicContact CG-CB 4.49Å; M14-R32 HydrophobicContact CG-CG 4.16Å; M14-R32 HydrophobicContact SD-CB 4.4Å; M14-R32 HydrophobicContact SD-CG 3.6Å; M14-R32 VanDerWaalsContact SD-CG 3.6Å; M22-R32 VanDerWaalsContact CE-NH1 3.27Å; P27-R32 PolarHBondContact O-NH2 2.78Å; P27-R32 VanDerWaalsContact O-NH2 3.13Å; K28-R32 PolarHBondContact O-NH2 3.11Å; R32-F172 HydrophobicContact CG-CD2 3.6Å; R32-F172 HydrophobicContact CG-CE2 4.07Å; R32-F172 HydrophobicContact CG-CG 4.31Å; R32-Y173 WeakPolarHBondContact CA-O 3.41Å; R32-Y173 WeakPolarHBondContact CG-O 3.23Å; R32-H174 HydrophobicContact CG-CB 4.34Å; R32-H174 PolarHBondContact NE-ND1 2.72Å |
| 33 | I | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 132.9 | -177.5 | -172.3 | 167.2 | 0 | 0 | 0 | 111.7 | W31 H37 F39 W111 F172 Y173 | W31-I33 HydrophobicContact CH2-CD1 4.25Å; W31-I33 HydrophobicContact CH2-CG2 3.94Å; W31-I33 HydrophobicContact CZ2-CB 4.28Å; W31-I33 HydrophobicContact CZ2-CD1 3.84Å; W31-I33 HydrophobicContact CZ2-CG2 4.1Å; W31-I33 HydrophobicContact CZ3-CG2 4.17Å; I33-H37 HydrophobicContact CD1-CB 3.93Å; I33-H37 HydrophobicContact CG1-CB 3.63Å; I33-F39 HydrophobicContact CD1-CE1 4.42Å; I33-F39 HydrophobicContact CD1-CE2 3.81Å; I33-F39 HydrophobicContact CD1-CZ 3.48Å; I33-F39 VanDerWaalsContact CD1-CZ 3.48Å; I33-W111 HydrophobicContact CD1-CD2 4.35Å; I33-W111 HydrophobicContact CD1-CE3 4.27Å; I33-W111 HydrophobicContact CD1-CH2 4.18Å; I33-W111 HydrophobicContact CD1-CZ2 4.32Å; I33-W111 HydrophobicContact CD1-CZ3 4.17Å; I33-W111 HydrophobicContact CG1-CE3 4.34Å; I33-W111 HydrophobicContact CG1-CZ3 4.21Å; I33-W111 HydrophobicContact CG2-CB 4.25Å; I33-W111 HydrophobicContact CG2-CD2 4.18Å; I33-W111 HydrophobicContact CG2-CE3 3.89Å; I33-W111 HydrophobicContact CG2-CG 4.35Å; I33-F172 CarbonylContact O-C 3.6Å; I33-F172 VanDerWaalsContact O-CA 3.3Å; I33-F172 WeakPolarHBondContact O-CA 3.43Å; I33-F172 WeakPolarHBondContact O-CB 3.47Å; I33-Y173 HydrophobicContact CG2-CD1 4.12Å; I33-Y173 PolarHBondContact N-O 3.39Å; I33-Y173 PolarHBondContact O-N 2.88Å |
| 34 | C | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137.3 | 172.8 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | M14 R16 A36 H37 W111 G168 | M14-C34 HydrophobicContact SD-CB 4.42Å; R16-C34 HydrophobicContact CB-CB 4.48Å; C34-A36 PolarHBondContact O-N 2.85Å; C34-A36 VanDerWaalsContact O-N 3.12Å; C34-H37 WeakPolarHBondContact O-CB 3.32Å; C34-H37 PolarHBondContact O-N 3.22Å; C34-W111 VanDerWaalsContact O-CZ3 3.32Å; C34-W111 WeakPolarHBondContact O-CZ3 3.42Å; C34-G168 PolarHBondContact SG-O 3.45Å; C34-G168 VanDerWaalsContact SG-O 3.35Å |
| 35 | L | 97.4 | Very high | 93 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.5 | -178.1 | -97.2 | 69.4 | 0 | 0 | 0 | 112.9 | W111 R112 V153 G168 A171 F172 T182 Y184 | L35-W111 WeakPolarHBondContact CD1-O 3.48Å; L35-R112 HydrophobicContact CG-CG 4.33Å; L35-R112 VanDerWaalsContact O-CZ 3.25Å; L35-R112 PolarHBondContact O-NE 2.52Å; L35-R112 VanDerWaalsContact O-NE 3.16Å; L35-R112 PolarHBondContact O-NH2 3.38Å; L35-V153 HydrophobicContact CB-CG1 4.22Å; L35-V153 HydrophobicContact CD2-CG1 4.29Å; L35-G168 WeakPolarHBondContact CB-O 3.43Å; L35-G168 PolarHBondContact N-O 2.98Å; L35-A171 HydrophobicContact CB-CB 4.09Å; L35-A171 HydrophobicContact CD1-CB 4.09Å; L35-A171 HydrophobicContact CD2-CB 3.79Å; L35-A171 HydrophobicContact CG-CB 4.19Å; L35-A171 PolarHBondContact N-O 3.35Å; L35-F172 VanDerWaalsContact CD1-CA 3.45Å; L35-T182 HydrophobicContact CD1-CG2 4.19Å; L35-T182 HydrophobicContact CD2-CG2 4.32Å; L35-Y184 HydrophobicContact CD2-CE1 4.09Å |
| 36 | A | 96.3 | Very high | 92.5 | Very high | 13 Ų | 13 | 52 Ų | 52 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R16 C34 G168 E169 | R16-A36 PolarHBondContact NH1-O 2.64Å; C34-A36 PolarHBondContact O-N 2.85Å; C34-A36 VanDerWaalsContact O-N 3.12Å; A36-G168 PolarHBondContact N-O 2.97Å; A36-E169 HydrophobicContact CB-CG 3.63Å |
| 37 | H | 95.9 | Very high | 91.6 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 15% | 0.148 | 25% | 0.253 | C | S | . | . | trans | -60.7 | 145.4 | -178.1 | -173.9 | 83.9 | 0 | 0 | 0 | 112 | I33 C34 F39 W111 R112 | I33-H37 HydrophobicContact CD1-CB 3.93Å; I33-H37 HydrophobicContact CG1-CB 3.63Å; C34-H37 WeakPolarHBondContact O-CB 3.32Å; C34-H37 PolarHBondContact O-N 3.22Å; H37-F39 AromaticContact NE2-CD1 3.69Å; H37-F39 AromaticContact NE2-CE1 3.83Å; H37-W111 HydrophobicContact CB-CH2 4.31Å; H37-W111 WeakPolarHBondContact O-CH2 3.49Å; H37-R112 PolarHBondContact O-NH2 2.92Å | ||
| 38 | E | 93.3 | Very high | 90.3 | Very high | 136 Ų | 136 | 57.6 Ų | 57.6 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | trans | -132.4 | 117.5 | 174.5 | -70.5 | -178.4 | -169.4 | 0 | 0 | 109.9 | K40 | E38-K40 PolarHBondContact O-N 2.93Š| ||
| 39 | F | 92.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.044 | 27% | 0.272 | C | S | . | . | trans | -68.7 | 119.3 | 174.8 | -64.9 | -79.3 | 0 | 0 | 0 | 110.3 | W31 I33 H37 K42 Q93 W111 E803 G806 | W31-F39 HydrophobicContact CZ2-CZ 4.2Å; I33-F39 HydrophobicContact CD1-CE1 4.42Å; I33-F39 HydrophobicContact CD1-CE2 3.81Å; I33-F39 HydrophobicContact CD1-CZ 3.48Å; I33-F39 VanDerWaalsContact CD1-CZ 3.48Å; H37-F39 AromaticContact NE2-CD1 3.69Å; H37-F39 AromaticContact NE2-CE1 3.83Å; F39-K42 PolarHBondContact O-NZ 3.44Å; F39-Q93 HydrophobicContact CD2-CB 3.66Å; F39-Q93 HydrophobicContact CD2-CG 4.22Å; F39-Q93 HydrophobicContact CE2-CB 4.17Å; F39-Q93 HydrophobicContact CG-CB 4.43Å; F39-W111 HydrophobicContact CE2-CZ2 4.22Å; F39-E803 WeakPolarHBondContact CE1-O 3.36Å; F39-G806 VanDerWaalsContact CD1-CA 3.47Å | ||
| 40 | K | 87.3 | Confident | 88.2 | Confident | 202 Ų | 202 | 57.6 Ų | 57.6 | 88% | 0.878 | 28% | 0.281 | S | S | * | . | trans | -77.4 | -36.9 | -176.3 | -63.7 | -178.3 | -178.3 | 175.5 | 0 | 112.7 | E38 K42 | E38-K40 PolarHBondContact O-N 2.93Å; K40-K42 PolarHBondContact O-N 3.3Å | ||
| 41 | E | 87.4 | Confident | 87 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | trans | -79.9 | 122 | 179.3 | -164.7 | 177.3 | 155.3 | 0 | 0 | 109.5 | R43 Q93 R804 L805 | E41-R43 IonicContact OE1-CZ 3.18Å; E41-R43 IonicContact OE1-NE 2.58Å; E41-R43 PolarHBondContact OE1-NE 3.49Å; E41-R43 IonicContact OE1-NH2 3.58Å; E41-R43 PolarHBondContact OE1-NH2 3.12Å; E41-Q93 PolarHBondContact O-NE2 2.89Å; E41-Q93 VanDerWaalsContact O-NE2 3.1Å; E41-R804 HydrophobicContact CB-CG 4.5Å; E41-R804 VanDerWaalsContact OE2-CD 3.3Å; E41-R804 WeakPolarHBondContact OE2-CD 3.3Å; E41-R804 WeakPolarHBondContact OE2-CG 3.48Å; E41-R804 IonicContact OE2-NE 2.77Å; E41-R804 PolarHBondContact OE2-NE 3.19Å; E41-L805 HydrophobicContact CB-CD2 4.01Å; E41-L805 HydrophobicContact CG-CD2 3.69Å; E41-L805 WeakPolarHBondContact OE1-CD2 3.11Å; E41-L805 WeakPolarHBondContact OE2-CD2 3.24Å | ||
| 42 | K | 85.6 | Confident | 85.7 | Confident | 131 Ų | 131 | 60.8 Ų | 60.8 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | trans | -112.1 | 132.9 | 173.5 | -57.4 | -54.1 | -168 | -156.4 | 0 | 108.3 | F39 K40 | F39-K42 PolarHBondContact O-NZ 3.44Å; K40-K42 PolarHBondContact O-N 3.3Å | ||
| 43 | R | 88.3 | Confident | 84.3 | Confident | 16 Ų | 16 | 67 Ų | 67 | 6% | 0.06 | 33% | 0.334 | C | S | . | . | trans | -117.2 | 156.1 | 177 | -64.8 | -170.5 | 166.6 | -122.6 | -3.1 | 111.2 | E41 L91 L805 M807 C816 N819 I820 Y821 | E41-R43 IonicContact OE1-CZ 3.18Å; E41-R43 IonicContact OE1-NE 2.58Å; E41-R43 PolarHBondContact OE1-NE 3.49Å; E41-R43 IonicContact OE1-NH2 3.58Å; E41-R43 PolarHBondContact OE1-NH2 3.12Å; R43-L91 HydrophobicContact CB-CD2 4.45Å; R43-L805 HydrophobicContact CG-CD2 4.09Å; R43-M807 HydrophobicContact CB-CE 4.38Å; R43-C816 PolarHBondContact NH1-O 2.48Å; R43-N819 VanDerWaalsContact CA-O 3.25Å; R43-N819 WeakPolarHBondContact CA-O 3.43Å; R43-N819 WeakPolarHBondContact CB-O 3.26Å; R43-I820 PolarHBondContact NH1-O 2.96Å; R43-Y821 HydrophobicContact CB-CD1 3.72Å; R43-Y821 HydrophobicContact CB-CE1 4.36Å | ||
| 44 | K | 88.7 | Confident | 82.9 | Confident | 143 Ų | 143 | 71 Ų | 71 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 149.2 | 177.3 | -66.9 | 179.2 | -176.6 | 173.4 | 0 | 109.6 | N819 I820 Y821 | K44-N819 PolarHBondContact N-O 2.89Å; K44-I820 VanDerWaalsContact O-CA 3.32Å; K44-I820 WeakPolarHBondContact O-CA 3.3Å; K44-Y821 WeakPolarHBondContact O-CD1 3.45Å; K44-Y821 PolarHBondContact O-N 3.11Å; K44-Y821 VanDerWaalsContact O-N 3.09Å |
| 45 | P | 87.6 | Confident | 81.5 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 149.1 | 171 | 27.2 | -32.8 | 0 | 0 | 0 | 109.2 | Q47 A88 Y821 | P45-Q47 WeakPolarHBondContact O-CG 3.29Å; P45-Q47 PolarHBondContact O-N 3.33Å; P45-A88 HydrophobicContact CB-CB 3.59Å; P45-A88 HydrophobicContact CG-CB 3.81Å; P45-Y821 CarbonylContact C-O 3.39Å; P45-Y821 WeakPolarHBondContact CA-O 3.43Å; P45-Y821 HydrophobicContact CB-CE1 4.43Å; P45-Y821 HydrophobicContact CB-CE2 3.95Å; P45-Y821 WeakPolarHBondContact CD-OH 3.43Å; P45-Y821 VanDerWaalsContact N-CE1 3.34Å |
| 46 | F | 82 | Confident | 80.3 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 23% | 0.232 | 39% | 0.389 | C | S | . | . | trans | -57.9 | 130.5 | 171.9 | -175.1 | -88.7 | 0 | 0 | 0 | 110.4 | D50 V51 V764 I820 Y821 R822 | F46-D50 HydrophobicContact CD2-CB 4.12Å; F46-D50 HydrophobicContact CE2-CB 3.72Å; F46-D50 HydrophobicContact CZ-CB 4.11Å; F46-V51 HydrophobicContact CE1-CG2 4.02Å; F46-V51 HydrophobicContact CZ-CG2 3.85Å; F46-V764 HydrophobicContact CD2-CG1 3.78Å; F46-V764 HydrophobicContact CE1-CG2 4.3Å; F46-V764 HydrophobicContact CE2-CB 4.15Å; F46-V764 HydrophobicContact CE2-CG1 3.38Å; F46-V764 HydrophobicContact CE2-CG2 3.6Å; F46-V764 HydrophobicContact CZ-CB 4.21Å; F46-V764 HydrophobicContact CZ-CG1 3.82Å; F46-V764 HydrophobicContact CZ-CG2 3.36Å; F46-I820 HydrophobicContact CB-CG2 3.71Å; F46-I820 HydrophobicContact CD2-CG2 3.92Å; F46-I820 HydrophobicContact CG-CG2 4.32Å; F46-Y821 PolarHBondContact N-O 2.8Å; F46-R822 HydrophobicContact CB-CB 4.46Å | ||
| 47 | Q | 78 | Confident | 79.1 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 38% | 0.383 | 41% | 0.413 | S | S | . | . | trans | -124.6 | 161.2 | -179.3 | -64.8 | -175.7 | -17.7 | 0 | 0 | 111.6 | P45 K49 D50 | P45-Q47 WeakPolarHBondContact O-CG 3.29Å; P45-Q47 PolarHBondContact O-N 3.33Å; Q47-K49 HydrophobicContact CB-CG 4.21Å; Q47-K49 PolarHBondContact O-N 2.81Å; Q47-K49 VanDerWaalsContact OE1-CE 3.28Å; Q47-D50 WeakPolarHBondContact CA-OD2 3.32Å; Q47-D50 WeakPolarHBondContact CB-OD2 3.28Å; Q47-D50 PolarHBondContact N-OD2 3.24Å; Q47-D50 VanDerWaalsContact O-CB 3.3Å; Q47-D50 WeakPolarHBondContact O-CB 3.31Å; Q47-D50 PolarHBondContact O-N 3.39Å | ||
| 48 | A | 68.5 | Low | 77.9 | Confident | 86 Ų | 86 | 84.3 Ų | 84.3 | 71% | 0.711 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -55.4 | -27.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D50 V51 | A48-D50 PolarHBondContact O-N 2.85Å; A48-V51 WeakPolarHBondContact O-CB 3.18Å; A48-V51 WeakPolarHBondContact O-CG2 3.35Å; A48-V51 PolarHBondContact O-N 2.89Å |
| 49 | K | 67.3 | Low | 77.3 | Confident | 142 Ų | 142 | 81.3 Ų | 81.3 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -71.8 | -16.4 | 176.3 | 74.3 | -171.4 | -175.2 | -155.1 | 0 | 113.7 | Q47 V51 | Q47-K49 HydrophobicContact CB-CG 4.21Å; Q47-K49 PolarHBondContact O-N 2.81Å; Q47-K49 VanDerWaalsContact OE1-CE 3.28Å; K49-V51 VanDerWaalsContact C-N 3.29Å |
| 50 | D | 74 | Confident | 77 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 31% | 0.305 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -87.5 | -5.7 | -179.7 | -51.9 | -46.7 | 0 | 0 | 0 | 111 | F46 Q47 A48 I820 | F46-D50 HydrophobicContact CD2-CB 4.12Å; F46-D50 HydrophobicContact CE2-CB 3.72Å; F46-D50 HydrophobicContact CZ-CB 4.11Å; Q47-D50 WeakPolarHBondContact CA-OD2 3.32Å; Q47-D50 WeakPolarHBondContact CB-OD2 3.28Å; Q47-D50 PolarHBondContact N-OD2 3.24Å; Q47-D50 VanDerWaalsContact O-CB 3.3Å; Q47-D50 WeakPolarHBondContact O-CB 3.31Å; Q47-D50 PolarHBondContact O-N 3.39Å; A48-D50 PolarHBondContact O-N 2.85Å; D50-I820 HydrophobicContact CB-CD1 4.1Å |
| 51 | V | 70.6 | Confident | 77.1 | Confident | 35 Ų | 35 | 77 Ų | 77 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -72.5 | 132.3 | 169.5 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | F46 A48 K49 N55 V56 | F46-V51 HydrophobicContact CE1-CG2 4.02Å; F46-V51 HydrophobicContact CZ-CG2 3.85Å; A48-V51 WeakPolarHBondContact O-CB 3.18Å; A48-V51 WeakPolarHBondContact O-CG2 3.35Å; A48-V51 PolarHBondContact O-N 2.89Å; K49-V51 VanDerWaalsContact C-N 3.29Å; V51-N55 HydrophobicContact CG1-CB 3.84Å; V51-V56 HydrophobicContact CG1-CG2 4.34Å |
| 52 | S | 68.4 | Low | 77.2 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | trans | -61.1 | 144.1 | 178.9 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | S54 N55 V56 | S52-S54 PolarHBondContact O-N 3.42Å; S52-S54 VanDerWaalsContact O-N 3.13Å; S52-S54 PolarHBondContact OG-OG 2.86Å; S52-N55 PolarHBondContact O-N 2.83Å; S52-N55 WeakPolarHBondContact OG-CB 3.45Å; S52-N55 PolarHBondContact OG-ND2 3.32Å; S52-V56 WeakPolarHBondContact O-CG2 3.47Å; S52-V56 PolarHBondContact O-N 2.87Å; S52-V56 VanDerWaalsContact O-N 3.09Å | ||
| 53 | L | 68.4 | Low | 77.4 | Confident | 159 Ų | 159 | 71.7 Ų | 71.7 | 83% | 0.832 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.5 | -31.3 | -179.2 | -73.6 | 169.7 | 0 | 0 | 0 | 113.4 | N55 V56 | L53-N55 VanDerWaalsContact C-N 3.32Å; L53-V56 PolarHBondContact O-N 3.1Å |
| 54 | S | 66.3 | Low | 77.6 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 59% | 0.594 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.4 | -37 | 174.9 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | S52 | S52-S54 PolarHBondContact O-N 3.42Å; S52-S54 VanDerWaalsContact O-N 3.13Å; S52-S54 PolarHBondContact OG-OG 2.86Å |
| 55 | N | 68.8 | Low | 77.9 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 20% | 0.198 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -85.2 | -20.1 | -177.6 | -65.2 | 5.5 | 0 | 0 | 0 | 111.7 | V51 S52 L53 V57 D58 H59 S762 | V51-N55 HydrophobicContact CG1-CB 3.84Å; S52-N55 PolarHBondContact O-N 2.83Å; S52-N55 WeakPolarHBondContact OG-CB 3.45Å; S52-N55 PolarHBondContact OG-ND2 3.32Å; L53-N55 VanDerWaalsContact C-N 3.32Å; N55-V57 VanDerWaalsContact C-N 3.31Å; N55-V57 PolarHBondContact O-N 2.99Å; N55-D58 PolarHBondContact O-N 3.09Å; N55-H59 PolarHBondContact O-N 2.7Å; N55-H59 PolarHBondContact O-ND1 2.79Å; N55-S762 PolarHBondContact ND2-O 2.66Å |
| 56 | V | 72 | Confident | 78.3 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.9 | -43.4 | -179.6 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | V51 S52 L53 D58 H59 I60 | V51-V56 HydrophobicContact CG1-CG2 4.34Å; S52-V56 WeakPolarHBondContact O-CG2 3.47Å; S52-V56 PolarHBondContact O-N 2.87Å; S52-V56 VanDerWaalsContact O-N 3.09Å; L53-V56 PolarHBondContact O-N 3.1Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 2.83Å; V56-H59 PolarHBondContact O-N 2.9Å; V56-H59 VanDerWaalsContact O-N 3.13Å; V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 3.35Å; V56-I60 PolarHBondContact O-N 2.95Å; V56-I60 VanDerWaalsContact O-N 3.14Å |
| 57 | V | 69.9 | Low | 78.8 | Confident | 102 Ų | 102 | 72.8 Ų | 72.8 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | -177.1 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | N55 H59 I60 | N55-V57 VanDerWaalsContact C-N 3.31Å; N55-V57 PolarHBondContact O-N 2.99Å; V57-H59 PolarHBondContact O-N 2.78Å; V57-I60 PolarHBondContact O-N 2.6Å |
| 58 | D | 71.1 | Confident | 79.6 | Confident | 127 Ų | 127 | 76.1 Ų | 76.1 | 68% | 0.679 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.2 | -25.7 | -180 | -63.7 | -25.8 | 0 | 0 | 0 | 112.3 | N55 V56 | N55-D58 PolarHBondContact O-N 3.09Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 2.83Å |
| 59 | H | 81.2 | Confident | 80.9 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 34% | 0.338 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -98 | -1.2 | -176.5 | -65.7 | 75.1 | 0 | 0 | 0 | 114.1 | N55 V56 V57 G61 L62 G63 | N55-H59 PolarHBondContact O-N 2.7Å; N55-H59 PolarHBondContact O-ND1 2.79Å; V56-H59 PolarHBondContact O-N 2.9Å; V56-H59 VanDerWaalsContact O-N 3.13Å; V57-H59 PolarHBondContact O-N 2.78Å; H59-G61 VanDerWaalsContact C-N 3.29Å; H59-G61 PolarHBondContact O-N 3.16Å; H59-L62 WeakPolarHBondContact O-CB 3.46Å; H59-L62 PolarHBondContact O-N 2.89Å; H59-G63 PolarHBondContact O-N 3.05Å |
| 60 | I | 85.5 | Confident | 82.2 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 177.1 | -65.3 | 178.4 | 0 | 0 | 0 | 110.8 | V56 V57 L62 G63 I64 | V56-I60 VanDerWaalsContact O-CG1 3.31Å; V56-I60 WeakPolarHBondContact O-CG1 3.35Å; V56-I60 PolarHBondContact O-N 2.95Å; V56-I60 VanDerWaalsContact O-N 3.14Å; V57-I60 PolarHBondContact O-N 2.6Å; I60-L62 VanDerWaalsContact C-N 3.35Å; I60-L62 PolarHBondContact O-N 2.92Å; I60-G63 PolarHBondContact O-N 3.37Å; I60-I64 HydrophobicContact CG2-CD1 4.01Å; I60-I64 WeakPolarHBondContact O-CG1 3.32Å; I60-I64 PolarHBondContact O-N 3.45Å |
| 61 | G | 89.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 27% | 0.268 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H59 R65 | H59-G61 VanDerWaalsContact C-N 3.29Å; H59-G61 PolarHBondContact O-N 3.16Å; G61-R65 WeakPolarHBondContact O-CG 3.34Å; G61-R65 PolarHBondContact O-N 2.84Å; G61-R65 VanDerWaalsContact O-N 3.16Å; G61-R65 PolarHBondContact O-NE 2.8Å; G61-R65 PolarHBondContact O-NH2 2.91Å |
| 62 | L | 90.3 | Very high | 84.4 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 173.8 | 169.7 | 64.1 | 0 | 0 | 0 | 110.6 | H59 I60 I64 R65 Y66 L526 M527 I560 | H59-L62 WeakPolarHBondContact O-CB 3.46Å; H59-L62 PolarHBondContact O-N 2.89Å; I60-L62 VanDerWaalsContact C-N 3.35Å; I60-L62 PolarHBondContact O-N 2.92Å; L62-I64 VanDerWaalsContact C-N 3.35Å; L62-I64 PolarHBondContact O-N 2.95Å; L62-R65 PolarHBondContact O-N 3.47Å; L62-Y66 VanDerWaalsContact O-CB 3.24Å; L62-Y66 WeakPolarHBondContact O-CB 3.5Å; L62-Y66 PolarHBondContact O-N 2.94Å; L62-L526 HydrophobicContact CD1-CB 3.64Å; L62-L526 WeakPolarHBondContact CD1-O 3.34Å; L62-M527 HydrophobicContact CB-SD 4.46Å; L62-M527 HydrophobicContact CD2-CE 3.86Å; L62-M527 HydrophobicContact CD2-SD 4.06Å; L62-I560 HydrophobicContact CD1-CG2 4.37Å |
| 63 | G | 89.8 | Confident | 85.6 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.3 | -43.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H59 I60 L67 | H59-G63 PolarHBondContact O-N 3.05Å; I60-G63 PolarHBondContact O-N 3.37Å; G63-L67 WeakPolarHBondContact O-CB 3.29Å; G63-L67 PolarHBondContact O-N 2.89Å |
| 64 | I | 92.4 | Very high | 86.8 | Confident | 95 Ų | 95 | 69 Ų | 69 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 177 | -65.7 | 170 | 0 | 0 | 0 | 111.1 | I60 L62 L67 K68 | I60-I64 HydrophobicContact CG2-CD1 4.01Å; I60-I64 WeakPolarHBondContact O-CG1 3.32Å; I60-I64 PolarHBondContact O-N 3.45Å; L62-I64 VanDerWaalsContact C-N 3.35Å; L62-I64 PolarHBondContact O-N 2.95Å; I64-L67 PolarHBondContact O-N 3.21Å; I64-K68 WeakPolarHBondContact O-CG 3.32Å; I64-K68 PolarHBondContact O-N 3.45Å; I64-K68 VanDerWaalsContact O-N 3.12Å |
| 65 | R | 95.6 | Very high | 88.1 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 24% | 0.242 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 179.9 | -74.1 | -176.1 | -68.7 | -93.4 | 1 | 111.4 | G61 L62 K68 W69 L526 M527 | G61-R65 WeakPolarHBondContact O-CG 3.34Å; G61-R65 PolarHBondContact O-N 2.84Å; G61-R65 VanDerWaalsContact O-N 3.16Å; G61-R65 PolarHBondContact O-NE 2.8Å; G61-R65 PolarHBondContact O-NH2 2.91Å; L62-R65 PolarHBondContact O-N 3.47Å; R65-K68 PolarHBondContact O-N 3.14Å; R65-W69 WeakPolarHBondContact O-CB 3.43Å; R65-W69 PolarHBondContact O-N 3.44Å; R65-L526 HydrophobicContact CB-CD2 4.03Å; R65-L526 PolarHBondContact NE-O 3.37Å; R65-L526 PolarHBondContact NH2-O 3.46Å; R65-L526 VanDerWaalsContact NH2-O 3.1Å; R65-M527 PolarHBondContact NH2-O 2.76Å |
| 66 | Y | 94.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.4 | -175.1 | -90 | 0 | 0 | 0 | 111.4 | L62 K68 W69 W70 I83 D84 M85 F86 L526 I560 | L62-Y66 VanDerWaalsContact O-CB 3.24Å; L62-Y66 WeakPolarHBondContact O-CB 3.5Å; L62-Y66 PolarHBondContact O-N 2.94Å; Y66-K68 VanDerWaalsContact C-N 3.35Å; Y66-K68 PolarHBondContact O-N 2.68Å; Y66-W69 HydrophobicContact CD2-CE3 4.06Å; Y66-W69 HydrophobicContact CD2-CZ3 4.31Å; Y66-W69 AromaticContact CE2-CE3 3.85Å; Y66-W69 HydrophobicContact CE2-CE3 3.85Å; Y66-W69 AromaticContact CE2-CZ3 3.64Å; Y66-W69 HydrophobicContact CE2-CZ3 3.64Å; Y66-W69 AromaticContact CZ-CZ3 3.99Å; Y66-W69 PolarHBondContact O-N 2.96Å; Y66-W70 HydrophobicContact CD1-CB 4.37Å; Y66-W70 HydrophobicContact CE1-CB 4.07Å; Y66-W70 HydrophobicContact CE1-CG 4.36Å; Y66-W70 WeakPolarHBondContact O-CB 3.49Å; Y66-W70 PolarHBondContact O-N 3.03Å; Y66-I83 PolarHBondContact OH-O 2.99Å; Y66-D84 WeakPolarHBondContact OH-CA 3.11Å; Y66-M85 HydrophobicContact CD1-SD 4.27Å; Y66-M85 HydrophobicContact CD2-CE 4.39Å; Y66-M85 HydrophobicContact CD2-SD 4.06Å; Y66-M85 HydrophobicContact CE1-CB 3.76Å; Y66-M85 HydrophobicContact CE1-CG 4.04Å; Y66-M85 HydrophobicContact CE1-SD 4.12Å; Y66-M85 HydrophobicContact CE2-CE 4.2Å; Y66-M85 HydrophobicContact CE2-CG 4.08Å; Y66-M85 HydrophobicContact CE2-SD 3.9Å; Y66-M85 HydrophobicContact CG-SD 4.25Å; Y66-M85 PolarHBondContact OH-N 2.92Å; Y66-F86 HydrophobicContact CD1-CD2 4.39Å; Y66-F86 AromaticContact CD1-CE2 3.57Å; Y66-F86 HydrophobicContact CD1-CE2 3.57Å; Y66-F86 AromaticContact CD1-CZ 3.93Å; Y66-F86 HydrophobicContact CD1-CZ 3.93Å; Y66-F86 AromaticContact CE1-CD2 3.76Å; Y66-F86 HydrophobicContact CE1-CD2 3.76Å; Y66-F86 AromaticContact CE1-CE2 3.39Å; Y66-F86 HydrophobicContact CE1-CE2 3.39Å; Y66-F86 HydrophobicContact CE1-CZ 4.09Å; Y66-L526 HydrophobicContact CD2-CD1 3.8Å; Y66-I560 HydrophobicContact CD2-CD1 4.27Å; Y66-I560 HydrophobicContact CE2-CD1 4.49Å |
| 67 | L | 94.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 71.6 Ų | 71.6 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.4 | 179.8 | 62.5 | 0 | 0 | 0 | 112.2 | G63 I64 Y71 F86 | G63-L67 WeakPolarHBondContact O-CB 3.29Å; G63-L67 PolarHBondContact O-N 2.89Å; I64-L67 PolarHBondContact O-N 3.21Å; L67-Y71 VanDerWaalsContact O-CB 3.28Å; L67-Y71 WeakPolarHBondContact O-CB 3.39Å; L67-Y71 PolarHBondContact O-N 3.35Å; L67-F86 HydrophobicContact CB-CZ 4.41Å; L67-F86 HydrophobicContact CD1-CE2 4.07Å; L67-F86 HydrophobicContact CD1-CZ 3.89Å |
| 68 | K | 95.1 | Very high | 91.3 | Very high | 152 Ų | 152 | 74.1 Ų | 74.1 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62 | -46.6 | 175.8 | -73.1 | 179.1 | -179.6 | -177.7 | 0 | 111.6 | I64 R65 Y66 K72 | I64-K68 WeakPolarHBondContact O-CG 3.32Å; I64-K68 PolarHBondContact O-N 3.45Å; I64-K68 VanDerWaalsContact O-N 3.12Å; R65-K68 PolarHBondContact O-N 3.14Å; Y66-K68 VanDerWaalsContact C-N 3.35Å; Y66-K68 PolarHBondContact O-N 2.68Å; K68-K72 WeakPolarHBondContact O-CB 3.43Å; K68-K72 PolarHBondContact O-N 2.87Å |
| 69 | W | 95.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 70.2 Ų | 70.2 | 13% | 0.129 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 178 | 172.2 | 87.7 | 0 | 0 | 0 | 111.8 | R65 Y66 Y71 K72 K73 P81 F82 L526 L559 | R65-W69 WeakPolarHBondContact O-CB 3.43Å; R65-W69 PolarHBondContact O-N 3.44Å; Y66-W69 HydrophobicContact CD2-CE3 4.06Å; Y66-W69 HydrophobicContact CD2-CZ3 4.31Å; Y66-W69 AromaticContact CE2-CE3 3.85Å; Y66-W69 HydrophobicContact CE2-CE3 3.85Å; Y66-W69 AromaticContact CE2-CZ3 3.64Å; Y66-W69 HydrophobicContact CE2-CZ3 3.64Å; Y66-W69 AromaticContact CZ-CZ3 3.99Å; Y66-W69 PolarHBondContact O-N 2.96Å; W69-Y71 VanDerWaalsContact C-N 3.34Å; W69-Y71 PolarHBondContact O-N 3.22Å; W69-K72 WeakPolarHBondContact O-CB 3.42Å; W69-K72 PolarHBondContact O-N 2.75Å; W69-K73 HydrophobicContact CD2-CG 4.16Å; W69-K73 HydrophobicContact CH2-CG 4.39Å; W69-K73 HydrophobicContact CZ2-CD 4.29Å; W69-K73 HydrophobicContact CZ2-CG 3.72Å; W69-K73 PolarHBondContact O-N 3.15Å; W69-P81 HydrophobicContact CH2-CB 3.69Å; W69-P81 HydrophobicContact CZ3-CB 3.87Å; W69-F82 AromaticContact CH2-CD1 3.4Å; W69-F82 HydrophobicContact CH2-CD1 3.4Å; W69-F82 AromaticContact CH2-CE1 3.32Å; W69-F82 HydrophobicContact CH2-CE1 3.32Å; W69-F82 HydrophobicContact CH2-CG 4.5Å; W69-F82 HydrophobicContact CH2-CZ 4.4Å; W69-F82 AromaticContact CZ2-CD1 3.43Å; W69-F82 HydrophobicContact CZ2-CD1 3.43Å; W69-F82 VanDerWaalsContact CZ2-CD1 3.43Å; W69-F82 AromaticContact CZ2-CE1 3.32Å; W69-F82 HydrophobicContact CZ2-CE1 3.32Å; W69-F82 HydrophobicContact CZ3-CE1 4.17Å; W69-L526 HydrophobicContact CB-CD1 4.2Å; W69-L526 HydrophobicContact CB-CD2 4.06Å; W69-L526 HydrophobicContact CD2-CD1 4.14Å; W69-L526 HydrophobicContact CE3-CD1 4.27Å; W69-L526 HydrophobicContact CG-CD1 4.1Å; W69-L526 HydrophobicContact CG-CD2 4.4Å; W69-L559 HydrophobicContact CD2-CD1 4.49Å; W69-L559 HydrophobicContact CZ2-CD2 4.37Å |
| 70 | W | 95.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 178.6 | 178.8 | 94.2 | 0 | 0 | 0 | 111.6 | Y66 K73 T74 D84 F86 | Y66-W70 HydrophobicContact CD1-CB 4.37Å; Y66-W70 HydrophobicContact CE1-CB 4.07Å; Y66-W70 HydrophobicContact CE1-CG 4.36Å; Y66-W70 WeakPolarHBondContact O-CB 3.49Å; Y66-W70 PolarHBondContact O-N 3.03Å; W70-K73 PolarHBondContact O-N 2.86Å; W70-T74 HydrophobicContact CD2-CG2 4.18Å; W70-T74 HydrophobicContact CG-CG2 4.34Å; W70-T74 HydrophobicContact CZ2-CG2 4.22Å; W70-T74 WeakPolarHBondContact O-CB 3.31Å; W70-T74 WeakPolarHBondContact O-CG2 3.42Å; W70-T74 PolarHBondContact O-N 3.02Å; W70-T74 PolarHBondContact O-OG1 2.96Å; W70-D84 PolarHBondContact NE1-OD1 3Å; W70-D84 VanDerWaalsContact NE1-OD1 3.1Å; W70-D84 PolarHBondContact NE1-OD2 2.91Å; W70-F86 HydrophobicContact CB-CD2 4.32Å; W70-F86 HydrophobicContact CB-CE2 4Å; W70-F86 AromaticContact CD1-CD2 3.66Å; W70-F86 AromaticContact CD2-CD2 3.57Å; W70-F86 HydrophobicContact CD2-CD2 3.57Å; W70-F86 AromaticContact CD2-CE2 3.92Å; W70-F86 HydrophobicContact CD2-CE2 3.92Å; W70-F86 AromaticContact CE2-CD2 3.66Å; W70-F86 HydrophobicContact CE3-CD2 4.16Å; W70-F86 HydrophobicContact CE3-CE2 4.27Å; W70-F86 AromaticContact CG-CD2 3.61Å; W70-F86 HydrophobicContact CG-CD2 3.61Å; W70-F86 AromaticContact CG-CE2 3.78Å; W70-F86 HydrophobicContact CG-CE2 3.78Å; W70-F86 HydrophobicContact CZ2-CB 4.42Å; W70-F86 HydrophobicContact CZ2-CD2 4.33Å; W70-F86 AromaticContact NE1-CD2 3.68Å |
| 71 | Y | 95.3 | Very high | 93 | Very high | 142 Ų | 142 | 64.3 Ų | 64.3 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 174.7 | -179.3 | -89.6 | 0 | 0 | 0 | 111 | L67 W69 Q75 V76 | L67-Y71 VanDerWaalsContact O-CB 3.28Å; L67-Y71 WeakPolarHBondContact O-CB 3.39Å; L67-Y71 PolarHBondContact O-N 3.35Å; W69-Y71 VanDerWaalsContact C-N 3.34Å; W69-Y71 PolarHBondContact O-N 3.22Å; Y71-Q75 HydrophobicContact CD1-CB 4.47Å; Y71-Q75 HydrophobicContact CD2-CB 4.04Å; Y71-Q75 HydrophobicContact CD2-CG 3.59Å; Y71-Q75 HydrophobicContact CE1-CB 4.31Å; Y71-Q75 HydrophobicContact CE2-CB 3.88Å; Y71-Q75 HydrophobicContact CE2-CG 3.67Å; Y71-Q75 HydrophobicContact CG-CB 4.34Å; Y71-Q75 HydrophobicContact CG-CG 4.2Å; Y71-Q75 WeakPolarHBondContact O-CA 3.37Å; Y71-Q75 WeakPolarHBondContact O-CB 3.37Å; Y71-Q75 PolarHBondContact O-N 2.94Å; Y71-V76 HydrophobicContact CE1-CG2 4.23Å; Y71-V76 PolarHBondContact O-N 3.31Å |
| 72 | K | 94.8 | Very high | 93 | Very high | 118 Ų | 118 | 63.3 Ų | 63.3 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -57.8 | -52.1 | 175.7 | -172.2 | -169.5 | 179.3 | -159.2 | 0 | 110.9 | K68 W69 V76 E77 | K68-K72 WeakPolarHBondContact O-CB 3.43Å; K68-K72 PolarHBondContact O-N 2.87Å; W69-K72 WeakPolarHBondContact O-CB 3.42Å; W69-K72 PolarHBondContact O-N 2.75Å; K72-V76 WeakPolarHBondContact O-CA 3.4Å; K72-V76 VanDerWaalsContact O-CB 3.25Å; K72-V76 WeakPolarHBondContact O-CB 3.35Å; K72-V76 PolarHBondContact O-N 3.02Å; K72-V76 VanDerWaalsContact O-N 3.11Å; K72-E77 WeakPolarHBondContact CE-OE1 3.38Å; K72-E77 IonicContact NZ-OE1 3.46Å; K72-E77 PolarHBondContact NZ-OE1 2.93Å; K72-E77 PolarHBondContact O-N 2.85Å |
| 73 | K | 93.3 | Very high | 93 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -60.8 | -50.2 | -178.4 | -78.9 | -77.1 | 169.6 | -165.7 | 0 | 112.8 | W69 W70 E77 K78 K79 | W69-K73 HydrophobicContact CD2-CG 4.16Å; W69-K73 HydrophobicContact CH2-CG 4.39Å; W69-K73 HydrophobicContact CZ2-CD 4.29Å; W69-K73 HydrophobicContact CZ2-CG 3.72Å; W69-K73 PolarHBondContact O-N 3.15Å; W70-K73 PolarHBondContact O-N 2.86Å; K73-E77 VanDerWaalsContact CD-OE2 3.26Å; K73-E77 WeakPolarHBondContact CD-OE2 3.07Å; K73-E77 WeakPolarHBondContact CE-OE2 3.32Å; K73-E77 IonicContact NZ-OE2 2.85Å; K73-E77 PolarHBondContact NZ-OE2 3.27Å; K73-E77 CarbonylContact O-C 3.54Å; K73-E77 WeakPolarHBondContact O-CB 3.27Å; K73-K78 PolarHBondContact O-N 3.07Å; K73-K79 PolarHBondContact O-N 3.25Å |
| 74 | T | 93.4 | Very high | 93 | Very high | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -85.8 | -38.6 | -172.3 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | W70 P81 | W70-T74 HydrophobicContact CD2-CG2 4.18Å; W70-T74 HydrophobicContact CG-CG2 4.34Å; W70-T74 HydrophobicContact CZ2-CG2 4.22Å; W70-T74 WeakPolarHBondContact O-CB 3.31Å; W70-T74 WeakPolarHBondContact O-CG2 3.42Å; W70-T74 PolarHBondContact O-N 3.02Å; W70-T74 PolarHBondContact O-OG1 2.96Å; T74-P81 HydrophobicContact CG2-CG 3.68Å |
| 75 | Q | 93.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -93.4 | -34 | -173.7 | -54.8 | -51.3 | -52 | 0 | 0 | 112.8 | Y71 K78 | Y71-Q75 HydrophobicContact CD1-CB 4.47Å; Y71-Q75 HydrophobicContact CD2-CB 4.04Å; Y71-Q75 HydrophobicContact CD2-CG 3.59Å; Y71-Q75 HydrophobicContact CE1-CB 4.31Å; Y71-Q75 HydrophobicContact CE2-CB 3.88Å; Y71-Q75 HydrophobicContact CE2-CG 3.67Å; Y71-Q75 HydrophobicContact CG-CB 4.34Å; Y71-Q75 HydrophobicContact CG-CG 4.2Å; Y71-Q75 WeakPolarHBondContact O-CA 3.37Å; Y71-Q75 WeakPolarHBondContact O-CB 3.37Å; Y71-Q75 PolarHBondContact O-N 2.94Å; Q75-K78 WeakPolarHBondContact O-CE 3.3Å; Q75-K78 PolarHBondContact O-NZ 2.71Å |
| 76 | V | 94.4 | Very high | 92.1 | Very high | 97 Ų | 97 | 65.2 Ų | 65.2 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | I | π-helix | trans | -95.6 | -56.5 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | Y71 K72 K78 | Y71-V76 HydrophobicContact CE1-CG2 4.23Å; Y71-V76 PolarHBondContact O-N 3.31Å; K72-V76 WeakPolarHBondContact O-CA 3.4Å; K72-V76 VanDerWaalsContact O-CB 3.25Å; K72-V76 WeakPolarHBondContact O-CB 3.35Å; K72-V76 PolarHBondContact O-N 3.02Å; K72-V76 VanDerWaalsContact O-N 3.11Å; V76-K78 VanDerWaalsContact C-N 3.35Å |
| 77 | E | 92.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 72.6 Ų | 72.6 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -80.4 | -15.3 | -175.2 | -60.7 | 175.1 | -160.9 | 0 | 0 | 113.2 | K72 K73 K79 | K72-E77 WeakPolarHBondContact CE-OE1 3.38Å; K72-E77 IonicContact NZ-OE1 3.46Å; K72-E77 PolarHBondContact NZ-OE1 2.93Å; K72-E77 PolarHBondContact O-N 2.85Å; K73-E77 VanDerWaalsContact CD-OE2 3.26Å; K73-E77 WeakPolarHBondContact CD-OE2 3.07Å; K73-E77 WeakPolarHBondContact CE-OE2 3.32Å; K73-E77 IonicContact NZ-OE2 2.85Å; K73-E77 PolarHBondContact NZ-OE2 3.27Å; K73-E77 CarbonylContact O-C 3.54Å; K73-E77 WeakPolarHBondContact O-CB 3.27Å; E77-K79 HydrophobicContact CB-CG 4.28Å; E77-K79 PolarHBondContact O-N 3.08Å |
| 78 | K | 91.7 | Very high | 91.3 | Very high | 155 Ų | 155 | 69.9 Ų | 69.9 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | trans | 56.8 | 26.5 | -176.8 | -54.4 | -54 | -168.7 | -164.9 | 0 | 114.1 | K73 Q75 V76 | K73-K78 PolarHBondContact O-N 3.07Å; Q75-K78 WeakPolarHBondContact O-CE 3.3Å; Q75-K78 PolarHBondContact O-NZ 2.71Å; V76-K78 VanDerWaalsContact C-N 3.35Å | ||
| 79 | K | 90.8 | Very high | 91 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 153.6 | 174.2 | -63.4 | -169 | 177.4 | -143.3 | 0 | 110.6 | K73 E77 D548 D549 | K73-K79 PolarHBondContact O-N 3.25Å; E77-K79 HydrophobicContact CB-CG 4.28Å; E77-K79 PolarHBondContact O-N 3.08Å; K79-D548 HydrophobicContact CB-CB 4.4Å; K79-D548 HydrophobicContact CD-CB 4.43Å; K79-D548 PolarHBondContact NZ-O 3.46Å; K79-D549 IonicContact NZ-OD1 2.91Å; K79-D549 PolarHBondContact NZ-OD1 3.5Å |
| 80 | A | 90.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 152.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R481 D548 | A80-R481 PolarHBondContact O-NH2 3.46Å; A80-D548 WeakPolarHBondContact CB-OD2 3.15Å; A80-D548 PolarHBondContact N-OD2 2.7Å |
| 81 | P | 91.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 5% | 0.045 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 145.1 | 172.5 | -21.3 | 36.2 | 0 | 0 | 0 | 112.1 | W69 T74 I83 D84 R481 | W69-P81 HydrophobicContact CH2-CB 3.69Å; W69-P81 HydrophobicContact CZ3-CB 3.87Å; T74-P81 HydrophobicContact CG2-CG 3.68Å; P81-I83 WeakPolarHBondContact CB-O 3.34Å; P81-I83 PolarHBondContact O-N 3.43Å; P81-D84 HydrophobicContact CB-CB 4.03Å; P81-D84 HydrophobicContact CG-CB 3.92Å; P81-R481 PolarHBondContact O-NE 3.24Å; P81-R481 PolarHBondContact O-NH2 3.46Å |
| 82 | F | 89.1 | Confident | 90.5 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -61.3 | -34.4 | 171.9 | 68.4 | -87.2 | 0 | 0 | 0 | 111.6 | W69 Y480 R481 M482 Y558 L559 I560 | W69-F82 AromaticContact CH2-CD1 3.4Å; W69-F82 HydrophobicContact CH2-CD1 3.4Å; W69-F82 AromaticContact CH2-CE1 3.32Å; W69-F82 HydrophobicContact CH2-CE1 3.32Å; W69-F82 HydrophobicContact CH2-CG 4.5Å; W69-F82 HydrophobicContact CH2-CZ 4.4Å; W69-F82 AromaticContact CZ2-CD1 3.43Å; W69-F82 HydrophobicContact CZ2-CD1 3.43Å; W69-F82 VanDerWaalsContact CZ2-CD1 3.43Å; W69-F82 AromaticContact CZ2-CE1 3.32Å; W69-F82 HydrophobicContact CZ2-CE1 3.32Å; W69-F82 HydrophobicContact CZ3-CE1 4.17Å; F82-Y480 CarbonylContact O-C 3.5Å; F82-Y480 WeakPolarHBondContact O-CA 3.36Å; F82-R481 PolarHBondContact O-N 2.99Å; F82-M482 HydrophobicContact CB-CG 4.24Å; F82-M482 HydrophobicContact CD2-CE 4.07Å; F82-M482 HydrophobicContact CD2-CG 4.32Å; F82-M482 HydrophobicContact CD2-SD 3.64Å; F82-M482 HydrophobicContact CE2-SD 4.31Å; F82-Y558 AromaticContact CE2-CD2 4Å; F82-Y558 HydrophobicContact CE2-CD2 4Å; F82-L559 HydrophobicContact CE1-CD1 3.88Å; F82-L559 HydrophobicContact CE1-CD2 4.11Å; F82-L559 HydrophobicContact CE1-CG 3.61Å; F82-L559 HydrophobicContact CZ-CD1 4.12Å; F82-L559 HydrophobicContact CZ-CG 3.94Å; F82-I560 HydrophobicContact CE2-CG1 4.19Å; F82-I560 HydrophobicContact CZ-CD1 3.97Å; F82-I560 HydrophobicContact CZ-CG1 3.98Å |
| 83 | I | 91.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -132.2 | 121 | 165.5 | -63.8 | 171.6 | 0 | 0 | 0 | 107 | Y66 P81 M85 Y480 M482 | Y66-I83 PolarHBondContact OH-O 2.99Å; P81-I83 WeakPolarHBondContact CB-O 3.34Å; P81-I83 PolarHBondContact O-N 3.43Å; I83-M85 HydrophobicContact CG2-CG 4.17Å; I83-Y480 HydrophobicContact CB-CD1 4.34Å; I83-Y480 HydrophobicContact CD1-CD1 4.21Å; I83-Y480 HydrophobicContact CD1-CE1 4.48Å; I83-Y480 HydrophobicContact CD1-CG 4.36Å; I83-Y480 HydrophobicContact CG1-CD1 3.68Å; I83-Y480 HydrophobicContact CG1-CE1 4.24Å; I83-Y480 HydrophobicContact CG1-CG 4.06Å; I83-Y480 HydrophobicContact CG2-CD1 4.03Å; I83-Y480 HydrophobicContact CG2-CE1 3.88Å; I83-M482 HydrophobicContact CD1-CE 3.98Å; I83-M482 HydrophobicContact CG1-CE 3.9Å |
| 84 | D | 89.9 | Confident | 90.6 | Very high | 32 Ų | 32 | 59.6 Ų | 59.6 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | trans | -102.1 | 92.8 | 176.9 | -164.8 | -24.6 | 0 | 0 | 0 | 111.7 | Y66 W70 P81 F86 R87 | Y66-D84 WeakPolarHBondContact OH-CA 3.11Å; W70-D84 PolarHBondContact NE1-OD1 3Å; W70-D84 VanDerWaalsContact NE1-OD1 3.1Å; W70-D84 PolarHBondContact NE1-OD2 2.91Å; P81-D84 HydrophobicContact CB-CB 4.03Å; P81-D84 HydrophobicContact CG-CB 3.92Å; D84-F86 PolarHBondContact O-N 3.47Å; D84-F86 PolarHBondContact OD1-N 3.41Å; D84-R87 PolarHBondContact O-N 3.46Å; D84-R87 PolarHBondContact OD1-N 2.99Å | ||
| 85 | M | 84.6 | Confident | 90.8 | Very high | 99 Ų | 99 | 59.2 Ų | 59.2 | 49% | 0.488 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.5 | 179.8 | -60.7 | -179.5 | 178.5 | 0 | 0 | 113.4 | Y66 I83 I560 | Y66-M85 HydrophobicContact CD1-SD 4.27Å; Y66-M85 HydrophobicContact CD2-CE 4.39Å; Y66-M85 HydrophobicContact CD2-SD 4.06Å; Y66-M85 HydrophobicContact CE1-CB 3.76Å; Y66-M85 HydrophobicContact CE1-CG 4.04Å; Y66-M85 HydrophobicContact CE1-SD 4.12Å; Y66-M85 HydrophobicContact CE2-CE 4.2Å; Y66-M85 HydrophobicContact CE2-CG 4.08Å; Y66-M85 HydrophobicContact CE2-SD 3.9Å; Y66-M85 HydrophobicContact CG-SD 4.25Å; Y66-M85 PolarHBondContact OH-N 2.92Å; I83-M85 HydrophobicContact CG2-CG 4.17Å; M85-I560 HydrophobicContact CE-CD1 4.12Å |
| 86 | F | 84.8 | Confident | 91 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 47% | 0.474 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -22.9 | 179.6 | -62 | -63.1 | 0 | 0 | 0 | 112.8 | Y66 L67 W70 D84 | Y66-F86 HydrophobicContact CD1-CD2 4.39Å; Y66-F86 AromaticContact CD1-CE2 3.57Å; Y66-F86 HydrophobicContact CD1-CE2 3.57Å; Y66-F86 AromaticContact CD1-CZ 3.93Å; Y66-F86 HydrophobicContact CD1-CZ 3.93Å; Y66-F86 AromaticContact CE1-CD2 3.76Å; Y66-F86 HydrophobicContact CE1-CD2 3.76Å; Y66-F86 AromaticContact CE1-CE2 3.39Å; Y66-F86 HydrophobicContact CE1-CE2 3.39Å; Y66-F86 HydrophobicContact CE1-CZ 4.09Å; L67-F86 HydrophobicContact CB-CZ 4.41Å; L67-F86 HydrophobicContact CD1-CE2 4.07Å; L67-F86 HydrophobicContact CD1-CZ 3.89Å; W70-F86 HydrophobicContact CB-CD2 4.32Å; W70-F86 HydrophobicContact CB-CE2 4Å; W70-F86 AromaticContact CD1-CD2 3.66Å; W70-F86 AromaticContact CD2-CD2 3.57Å; W70-F86 HydrophobicContact CD2-CD2 3.57Å; W70-F86 AromaticContact CD2-CE2 3.92Å; W70-F86 HydrophobicContact CD2-CE2 3.92Å; W70-F86 AromaticContact CE2-CD2 3.66Å; W70-F86 HydrophobicContact CE3-CD2 4.16Å; W70-F86 HydrophobicContact CE3-CE2 4.27Å; W70-F86 AromaticContact CG-CD2 3.61Å; W70-F86 HydrophobicContact CG-CD2 3.61Å; W70-F86 AromaticContact CG-CE2 3.78Å; W70-F86 HydrophobicContact CG-CE2 3.78Å; W70-F86 HydrophobicContact CZ2-CB 4.42Å; W70-F86 HydrophobicContact CZ2-CD2 4.33Å; W70-F86 AromaticContact NE1-CD2 3.68Å; D84-F86 PolarHBondContact O-N 3.47Å; D84-F86 PolarHBondContact OD1-N 3.41Å |
| 87 | R | 85.8 | Confident | 91.2 | Very high | 159 Ų | 159 | 51.1 Ų | 51.1 | 60% | 0.6 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -131.3 | 58 | -175.2 | -57.4 | 179.2 | 177.5 | 175.9 | 1.1 | 111.8 | D84 | D84-R87 PolarHBondContact O-N 3.46Å; D84-R87 PolarHBondContact OD1-N 2.99Å |
| 88 | A | 85.4 | Confident | 91.5 | Very high | 36 Ų | 36 | 48 Ų | 48 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -55.3 | 144.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P45 E479 | P45-A88 HydrophobicContact CB-CB 3.59Å; P45-A88 HydrophobicContact CG-CB 3.81Å; A88-E479 WeakPolarHBondContact CA-OE1 3.32Å |
| 89 | L | 88.1 | Confident | 91.8 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 20% | 0.199 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 127.2 | 177.1 | -69.8 | 175.9 | 0 | 0 | 0 | 109.5 | Y127 Q478 E479 Y821 L824 | L89-Y127 HydrophobicContact CD1-CE1 4.2Å; L89-Y127 HydrophobicContact CD1-CE2 3.87Å; L89-Y127 VanDerWaalsContact CD1-CZ 3.5Å; L89-Y127 WeakPolarHBondContact CD1-OH 3.43Å; L89-Y127 HydrophobicContact CD2-CD2 3.92Å; L89-Y127 HydrophobicContact CD2-CE2 3.51Å; L89-Y127 HydrophobicContact CG-CE2 4.39Å; L89-Q478 HydrophobicContact CD1-CB 4.13Å; L89-E479 HydrophobicContact CB-CG 3.88Å; L89-E479 HydrophobicContact CD1-CG 3.63Å; L89-E479 HydrophobicContact CG-CG 3.82Å; L89-E479 PolarHBondContact N-OE1 3.3Å; L89-Y821 PolarHBondContact O-OH 3.21Å; L89-L824 HydrophobicContact CB-CD1 4.49Å |
| 90 | P | 88.4 | Confident | 92.2 | Very high | 76 Ų | 76 | 38.5 Ų | 38.5 | 49% | 0.494 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 135.3 | 176.5 | 29.1 | -33.3 | 0 | 0 | 0 | 110.1 | R92 | P90-R92 WeakPolarHBondContact O-CG 3.36Å; P90-R92 PolarHBondContact O-N 2.86Å |
| 91 | L | 92.7 | Very high | 92.6 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 123.3 | 170.6 | 173.3 | 63.7 | 0 | 0 | 0 | 110.3 | R43 Q93 M807 Q810 Y821 L824 | R43-L91 HydrophobicContact CB-CD2 4.45Å; L91-Q93 HydrophobicContact CD1-CG 4.42Å; L91-Q93 HydrophobicContact CD2-CG 4.32Å; L91-Q93 HydrophobicContact CG-CG 4.15Å; L91-M807 HydrophobicContact CD1-CE 4.16Å; L91-M807 HydrophobicContact CD1-CG 3.69Å; L91-M807 HydrophobicContact CD2-CE 3.67Å; L91-M807 HydrophobicContact CD2-CG 4.45Å; L91-Q810 HydrophobicContact CD1-CG 4.46Å; L91-Y821 HydrophobicContact CB-CE1 3.62Å; L91-Y821 HydrophobicContact CD2-CE1 4.35Å; L91-Y821 PolarHBondContact N-OH 3.38Å; L91-L824 HydrophobicContact CB-CD1 4.39Å; L91-L824 HydrophobicContact CD1-CD2 3.99Å |
| 92 | R | 93.8 | Very high | 93 | Very high | 91 Ų | 91 | 36.4 Ų | 36.4 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | trans | -122.3 | 107.4 | 174.6 | -58.9 | -168.9 | -173.4 | -175.6 | 9.5 | 109.9 | P90 I94 Y95 Y127 Q810 | P90-R92 WeakPolarHBondContact O-CG 3.36Å; P90-R92 PolarHBondContact O-N 2.86Å; R92-I94 HydrophobicContact CB-CD1 4.19Å; R92-I94 HydrophobicContact CB-CG1 3.97Å; R92-I94 PolarHBondContact O-N 3.36Å; R92-Y95 HydrophobicContact CB-CE2 3.98Å; R92-Y95 WeakPolarHBondContact O-CD2 3.44Å; R92-Y127 PolarHBondContact NH1-O 3.15Å; R92-Q810 PolarHBondContact O-NE2 3.21Å; R92-Q810 PolarHBondContact O-OE1 3.44Å | ||
| 93 | Q | 95.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 50.3 | -175.5 | -61.2 | 162.4 | -49.1 | 0 | 0 | 112.2 | F39 E41 L91 W111 L805 G806 | F39-Q93 HydrophobicContact CD2-CB 3.66Å; F39-Q93 HydrophobicContact CD2-CG 4.22Å; F39-Q93 HydrophobicContact CE2-CB 4.17Å; F39-Q93 HydrophobicContact CG-CB 4.43Å; E41-Q93 PolarHBondContact O-NE2 2.89Å; E41-Q93 VanDerWaalsContact O-NE2 3.1Å; L91-Q93 HydrophobicContact CD1-CG 4.42Å; L91-Q93 HydrophobicContact CD2-CG 4.32Å; L91-Q93 HydrophobicContact CG-CG 4.15Å; Q93-W111 PolarHBondContact O-NE1 3.26Å; Q93-L805 PolarHBondContact NE2-O 2.92Å; Q93-G806 WeakPolarHBondContact CG-O 3.25Å |
| 94 | I | 96 | Very high | 93.6 | Very high | 39 Ų | 39 | 35.4 Ų | 35.4 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -13.8 | -171.4 | 68.5 | 176.9 | 0 | 0 | 0 | 113.5 | R92 G110 W111 C116 | R92-I94 HydrophobicContact CB-CD1 4.19Å; R92-I94 HydrophobicContact CB-CG1 3.97Å; R92-I94 PolarHBondContact O-N 3.36Å; I94-G110 CarbonylContact O-C 3.57Å; I94-G110 WeakPolarHBondContact O-CA 3.39Å; I94-W111 VanDerWaalsContact C-CD1 3.4Å; I94-W111 VanDerWaalsContact O-CD1 3.27Å; I94-W111 PolarHBondContact O-N 3.33Å; I94-C116 HydrophobicContact CD1-CB 3.98Å |
| 95 | Y | 97.8 | Very high | 94 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | trans | -74.9 | 144.5 | -170.1 | -59.2 | -57.4 | 0 | 0 | 0 | 113 | R92 T108 C116 R117 Q810 | R92-Y95 HydrophobicContact CB-CE2 3.98Å; R92-Y95 WeakPolarHBondContact O-CD2 3.44Å; Y95-T108 HydrophobicContact CD1-CG2 4.18Å; Y95-C116 VanDerWaalsContact CD1-SG 3.54Å; Y95-R117 HydrophobicContact CD1-CB 4.22Å; Y95-R117 HydrophobicContact CE1-CB 3.77Å; Y95-Q810 HydrophobicContact CD2-CB 4.03Å; Y95-Q810 VanDerWaalsContact CD2-CD 3.44Å; Y95-Q810 HydrophobicContact CD2-CG 4.16Å | ||
| 96 | G | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -123 | -172.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | T108 R109 F809 | G96-T108 WeakPolarHBondContact O-CG2 3.38Å; G96-R109 VanDerWaalsContact CA-O 3.31Å; G96-R109 WeakPolarHBondContact CA-O 3.43Å; G96-R109 PolarHBondContact N-O 2.69Å; G96-F809 VanDerWaalsContact C-CG 3.41Å; G96-F809 VanDerWaalsContact CA-CD2 3.4Å; G96-F809 WeakPolarHBondContact O-CB 3.37Å; G96-F809 VanDerWaalsContact O-CG 3.26Å; G96-F809 WeakPolarHBondContact O-CG 3.43Å | ||
| 97 | A | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 129 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y173 Y177 A180 Q197 F809 | A97-Y173 WeakPolarHBondContact CB-OH 3.27Å; A97-Y173 PolarHBondContact N-OH 3.31Å; A97-Y177 HydrophobicContact CB-CD2 4.22Å; A97-A180 HydrophobicContact CB-CB 4Å; A97-Q197 PolarHBondContact O-NE2 3Å; A97-Q197 VanDerWaalsContact O-NE2 3.1Å; A97-F809 HydrophobicContact CB-CE1 3.94Å; A97-F809 HydrophobicContact CB-CZ 3.96Å |
| 98 | P | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 149 | 180 | 29.8 | -34.4 | 0 | 0 | 0 | 112.2 | Y177 S199 Y430 D434 | P98-Y177 HydrophobicContact CG-CD2 4.43Å; P98-Y177 HydrophobicContact CG-CE2 3.82Å; P98-S199 PolarHBondContact O-OG 3.14Å; P98-Y430 HydrophobicContact CG-CD2 4.27Å; P98-D434 HydrophobicContact CB-CB 3.73Å; P98-D434 HydrophobicContact CG-CB 3.66Å |
| 99 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.2 | 175.5 | -54.3 | 171 | 0 | 0 | 0 | 110 | T106 I107 R109 F115 Q197 S199 A214 F216 W357 | L99-T106 VanDerWaalsContact O-CA 3.24Å; L99-T106 WeakPolarHBondContact O-CA 3.24Å; L99-T106 WeakPolarHBondContact O-CB 3.46Å; L99-I107 WeakPolarHBondContact CA-O 3.5Å; L99-I107 WeakPolarHBondContact CB-O 3.44Å; L99-I107 VanDerWaalsContact CG-O 3.27Å; L99-I107 WeakPolarHBondContact CG-O 3.31Å; L99-I107 PolarHBondContact N-O 3.27Å; L99-I107 PolarHBondContact O-N 3.45Å; L99-R109 HydrophobicContact CD1-CB 4.25Å; L99-F115 HydrophobicContact CD1-CE1 3.91Å; L99-Q197 HydrophobicContact CD2-CB 4.03Å; L99-Q197 HydrophobicContact CD2-CG 4.41Å; L99-S199 VanDerWaalsContact CA-OG 3.32Å; L99-S199 WeakPolarHBondContact CA-OG 3.46Å; L99-A214 HydrophobicContact CB-CB 3.83Å; L99-A214 HydrophobicContact CD2-CB 3.86Å; L99-A214 HydrophobicContact CG-CB 4.28Å; L99-F216 HydrophobicContact CD1-CE1 4.17Å; L99-F216 HydrophobicContact CD1-CZ 3.58Å; L99-F216 HydrophobicContact CD2-CE1 4.23Å; L99-F216 HydrophobicContact CD2-CZ 4.25Å; L99-W357 HydrophobicContact CB-CH2 4.34Å |
| 100 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 113.3 | 159.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S199 | G100-S199 PolarHBondContact N-OG 2.97Å; G100-S199 VanDerWaalsContact N-OG 3.14Å |
| 101 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | trans | -77.4 | 170.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G103 G104 S209 L211 | G101-G103 PolarHBondContact O-N 3.02Å; G101-G104 PolarHBondContact O-N 3.22Å; G101-S209 CarbonylContact C-O 3.48Å; G101-S209 VanDerWaalsContact CA-O 3.29Å; G101-S209 WeakPolarHBondContact CA-O 3.3Å; G101-L211 WeakPolarHBondContact CA-O 3.42Å; G101-L211 PolarHBondContact N-O 2.92Å | ||
| 102 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 121.6 | 175.2 | -55.6 | 179.1 | 0 | 0 | 0 | 110.1 | G104 V201 S209 S210 V432 T437 W439 F472 W500 L503 | I102-G104 PolarHBondContact O-N 3.16Å; I102-G104 VanDerWaalsContact O-N 3.11Å; I102-V201 HydrophobicContact CD1-CG1 4.2Å; I102-V201 HydrophobicContact CG1-CG1 4.24Å; I102-V201 HydrophobicContact CG1-CG2 4.29Å; I102-S209 WeakPolarHBondContact CA-O 3.39Å; I102-S209 WeakPolarHBondContact CB-O 3.4Å; I102-S209 PolarHBondContact N-O 3.02Å; I102-S210 WeakPolarHBondContact O-CA 3.37Å; I102-V432 HydrophobicContact CD1-CG1 3.76Å; I102-V432 HydrophobicContact CG1-CG1 4.09Å; I102-V432 HydrophobicContact CG2-CG1 4.39Å; I102-T437 HydrophobicContact CG2-CG2 3.88Å; I102-W439 HydrophobicContact CB-CE3 4.18Å; I102-W439 HydrophobicContact CB-CZ3 4.43Å; I102-W439 HydrophobicContact CG2-CE3 4.01Å; I102-F472 HydrophobicContact CG2-CD2 4.43Å; I102-F472 HydrophobicContact CG2-CE2 3.43Å; I102-F472 VanDerWaalsContact CG2-CE2 3.43Å; I102-F472 HydrophobicContact CG2-CZ 4.07Å; I102-W500 HydrophobicContact CD1-CD2 3.94Å; I102-W500 HydrophobicContact CD1-CE3 4.4Å; I102-W500 HydrophobicContact CD1-CG 4.43Å; I102-W500 HydrophobicContact CD1-CH2 4.28Å; I102-W500 HydrophobicContact CD1-CZ2 3.81Å; I102-L503 HydrophobicContact CG2-CD1 4.41Å |
| 103 | G | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 6.1 Ų | 6.1 | 2% | 0.021 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -6.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G101 G105 R373 | G101-G103 PolarHBondContact O-N 3.02Å; G103-G105 PolarHBondContact O-N 2.88Å; G103-R373 PolarHBondContact O-NH1 3.05Å |
| 104 | G | 96.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.01 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -75.6 | -7.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G101 I102 W357 R373 | G101-G104 PolarHBondContact O-N 3.22Å; I102-G104 PolarHBondContact O-N 3.16Å; I102-G104 VanDerWaalsContact O-N 3.11Å; G104-W357 PolarHBondContact O-NE1 2.76Å; G104-R373 PolarHBondContact O-NH1 3.39Å |
| 105 | G | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.015 | C | C | . | . | trans | 83.4 | 158.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110 | G103 Q119 W357 | G103-G105 PolarHBondContact O-N 2.88Å; G105-Q119 CarbonylContact C-O 3.59Å; G105-Q119 WeakPolarHBondContact CA-O 3.3Å; G105-W357 WeakPolarHBondContact O-CZ2 3.36Å; G105-W357 PolarHBondContact O-NE1 2.54Å | ||
| 106 | T | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 1% | 0.013 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.7 | -174.9 | 57 | 0 | 0 | 0 | 0 | 113.5 | L99 Q119 A433 D434 | L99-T106 VanDerWaalsContact O-CA 3.24Å; L99-T106 WeakPolarHBondContact O-CA 3.24Å; L99-T106 WeakPolarHBondContact O-CB 3.46Å; T106-Q119 PolarHBondContact N-O 3.31Å; T106-Q119 PolarHBondContact O-N 3.12Å; T106-A433 HydrophobicContact CG2-CB 3.88Å; T106-A433 WeakPolarHBondContact CG2-O 3.24Å; T106-D434 HydrophobicContact CG2-CB 4.35Å; T106-D434 PolarHBondContact OG1-OD1 2.92Å |
| 107 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 1% | 0.013 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 115.1 | 173 | -55.3 | 171.5 | 0 | 0 | 0 | 107.8 | L99 F115 W118 L120 L355 W357 | L99-I107 WeakPolarHBondContact CA-O 3.5Å; L99-I107 WeakPolarHBondContact CB-O 3.44Å; L99-I107 VanDerWaalsContact CG-O 3.27Å; L99-I107 WeakPolarHBondContact CG-O 3.31Å; L99-I107 PolarHBondContact N-O 3.27Å; L99-I107 PolarHBondContact O-N 3.45Å; I107-F115 HydrophobicContact CG2-CD1 3.8Å; I107-W118 HydrophobicContact CB-CE3 4.35Å; I107-W118 HydrophobicContact CB-CZ3 4.49Å; I107-W118 HydrophobicContact CD1-CE3 3.94Å; I107-W118 HydrophobicContact CD1-CZ3 3.58Å; I107-W118 HydrophobicContact CG1-CE3 3.72Å; I107-W118 HydrophobicContact CG1-CZ3 3.89Å; I107-W118 HydrophobicContact CG2-CD2 4.08Å; I107-W118 HydrophobicContact CG2-CE3 3.79Å; I107-W118 HydrophobicContact CG2-CH2 4Å; I107-W118 HydrophobicContact CG2-CZ2 4.25Å; I107-W118 HydrophobicContact CG2-CZ3 3.77Å; I107-L120 HydrophobicContact CD1-CD2 4.31Å; I107-L120 HydrophobicContact CG1-CD2 3.95Å; I107-L355 HydrophobicContact CD1-CD2 3.9Å; I107-W357 HydrophobicContact CD1-CD2 4.07Å; I107-W357 HydrophobicContact CD1-CE3 3.66Å; I107-W357 HydrophobicContact CD1-CH2 4.44Å; I107-W357 HydrophobicContact CD1-CZ3 3.87Å; I107-W357 HydrophobicContact CG1-CE3 4.48Å; I107-W357 HydrophobicContact CG1-CZ3 4.44Å |
| 108 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 1% | 0.013 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.4 | 178.4 | -44 | 0 | 0 | 0 | 0 | 110.8 | Y95 G96 C116 R117 D434 | Y95-T108 HydrophobicContact CD1-CG2 4.18Å; G96-T108 WeakPolarHBondContact O-CG2 3.38Å; T108-C116 PolarHBondContact O-N 3.09Å; T108-R117 PolarHBondContact N-O 3.35Å; T108-R117 PolarHBondContact OG1-NE 3.3Å; T108-D434 PolarHBondContact OG1-OD2 2.78Å |
| 109 | R | 97.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 3.1 Ų | 3.1 | 1% | 0.008 | 1% | 0.013 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.7 | 164.7 | -168.8 | 178.1 | 179.8 | -135.5 | 0.7 | 109 | G96 L99 G113 E114 | G96-R109 VanDerWaalsContact CA-O 3.31Å; G96-R109 WeakPolarHBondContact CA-O 3.43Å; G96-R109 PolarHBondContact N-O 2.69Å; L99-R109 HydrophobicContact CD1-CB 4.25Å; R109-G113 PolarHBondContact NE-O 3.31Å; R109-G113 VanDerWaalsContact NE-O 3.11Å; R109-E114 CarbonylContact C-O 3.46Å; R109-E114 WeakPolarHBondContact CA-O 3.49Å |
| 110 | G | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 3.5 Ų | 3.5 | 1% | 0.01 | 2% | 0.015 | C | C | . | . | P | Polyproline II helix | trans | -65 | 159.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I94 R112 G113 E114 | I94-G110 CarbonylContact O-C 3.57Å; I94-G110 WeakPolarHBondContact O-CA 3.39Å; G110-R112 PolarHBondContact O-N 3.32Å; G110-R112 VanDerWaalsContact O-N 3.12Å; G110-G113 WeakPolarHBondContact O-CA 3.39Å; G110-G113 PolarHBondContact O-N 3.15Å; G110-E114 PolarHBondContact N-O 3.16Å |
| 111 | W | 97.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 5.5 Ų | 5.5 | 2% | 0.023 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11 | -179.9 | 62 | -94.7 | 0 | 0 | 0 | 113.3 | W31 I33 C34 L35 H37 F39 Q93 I94 Y173 | W31-W111 HydrophobicContact CH2-CB 4.4Å; W31-W111 HydrophobicContact CH2-CG 4.23Å; W31-W111 HydrophobicContact CZ3-CB 4.23Å; I33-W111 HydrophobicContact CD1-CD2 4.35Å; I33-W111 HydrophobicContact CD1-CE3 4.27Å; I33-W111 HydrophobicContact CD1-CH2 4.18Å; I33-W111 HydrophobicContact CD1-CZ2 4.32Å; I33-W111 HydrophobicContact CD1-CZ3 4.17Å; I33-W111 HydrophobicContact CG1-CE3 4.34Å; I33-W111 HydrophobicContact CG1-CZ3 4.21Å; I33-W111 HydrophobicContact CG2-CB 4.25Å; I33-W111 HydrophobicContact CG2-CD2 4.18Å; I33-W111 HydrophobicContact CG2-CE3 3.89Å; I33-W111 HydrophobicContact CG2-CG 4.35Å; C34-W111 VanDerWaalsContact O-CZ3 3.32Å; C34-W111 WeakPolarHBondContact O-CZ3 3.42Å; L35-W111 WeakPolarHBondContact CD1-O 3.48Å; H37-W111 HydrophobicContact CB-CH2 4.31Å; H37-W111 WeakPolarHBondContact O-CH2 3.49Å; F39-W111 HydrophobicContact CE2-CZ2 4.22Å; Q93-W111 PolarHBondContact O-NE1 3.26Å; I94-W111 VanDerWaalsContact C-CD1 3.4Å; I94-W111 VanDerWaalsContact O-CD1 3.27Å; I94-W111 PolarHBondContact O-N 3.33Å; W111-Y173 HydrophobicContact CB-CD1 3.42Å; W111-Y173 VanDerWaalsContact CB-CD1 3.42Å; W111-Y173 HydrophobicContact CB-CD2 4.17Å; W111-Y173 HydrophobicContact CB-CE1 3.87Å; W111-Y173 HydrophobicContact CB-CG 3.58Å; W111-Y173 VanDerWaalsContact O-CB 3.28Å; W111-Y173 WeakPolarHBondContact O-CB 3.39Å |
| 112 | R | 96.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 5.7 Ų | 5.7 | 18% | 0.177 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 5.6 | 170.4 | -73.5 | 174.3 | 175.5 | -141.2 | 0.5 | 113.5 | L35 H37 G110 E114 V153 | L35-R112 HydrophobicContact CG-CG 4.33Å; L35-R112 VanDerWaalsContact O-CZ 3.25Å; L35-R112 PolarHBondContact O-NE 2.52Å; L35-R112 VanDerWaalsContact O-NE 3.16Å; L35-R112 PolarHBondContact O-NH2 3.38Å; H37-R112 PolarHBondContact O-NH2 2.92Å; G110-R112 PolarHBondContact O-N 3.32Å; G110-R112 VanDerWaalsContact O-N 3.12Å; R112-E114 VanDerWaalsContact CB-CD 3.48Å; R112-E114 WeakPolarHBondContact CB-OE1 3.43Å; R112-E114 WeakPolarHBondContact CB-OE2 3.18Å; R112-V153 HydrophobicContact CB-CG2 4.17Å; R112-V153 HydrophobicContact CG-CG2 4.14Å |
| 113 | G | 95.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | S | Bend | trans | 98.8 | 1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R109 G110 | R109-G113 PolarHBondContact NE-O 3.31Å; R109-G113 VanDerWaalsContact NE-O 3.11Å; G110-G113 WeakPolarHBondContact O-CA 3.39Å; G110-G113 PolarHBondContact O-N 3.15Å |
| 114 | E | 95.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 8.1 Ų | 8.1 | 3% | 0.033 | 4% | 0.039 | C | C | . | . | trans | -86.8 | 137.4 | -173.2 | -36.9 | 90 | 149.5 | 0 | 0 | 113.3 | R109 G110 R112 C116 T129 E154 | R109-E114 CarbonylContact C-O 3.46Å; R109-E114 WeakPolarHBondContact CA-O 3.49Å; G110-E114 PolarHBondContact N-O 3.16Å; R112-E114 VanDerWaalsContact CB-CD 3.48Å; R112-E114 WeakPolarHBondContact CB-OE1 3.43Å; R112-E114 WeakPolarHBondContact CB-OE2 3.18Å; E114-C116 PolarHBondContact O-N 2.83Å; E114-T129 HydrophobicContact CB-CG2 3.59Å; E114-T129 HydrophobicContact CG-CG2 4.21Å; E114-E154 HydrophobicContact CG-CG 4.32Å | ||
| 115 | F | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 105 | 171.6 | -64.7 | -98.3 | 0 | 0 | 0 | 109.8 | L99 I107 W118 T129 V130 N133 F135 F216 F234 L355 | L99-F115 HydrophobicContact CD1-CE1 3.91Å; I107-F115 HydrophobicContact CG2-CD1 3.8Å; F115-W118 HydrophobicContact CB-CH2 4.48Å; F115-W118 HydrophobicContact CB-CZ2 3.81Å; F115-T129 WeakPolarHBondContact O-CA 3.39Å; F115-V130 PolarHBondContact O-N 2.84Å; F115-N133 HydrophobicContact CB-CB 4.05Å; F115-N133 HydrophobicContact CD2-CB 3.45Å; F115-N133 VanDerWaalsContact CD2-CB 3.45Å; F115-N133 WeakPolarHBondContact CD2-O 3.29Å; F115-N133 HydrophobicContact CE2-CB 4.09Å; F115-N133 HydrophobicContact CG-CB 3.89Å; F115-F135 HydrophobicContact CZ-CE2 4.49Å; F115-F216 HydrophobicContact CE1-CZ 4.33Å; F115-F216 HydrophobicContact CZ-CZ 4.23Å; F115-F234 HydrophobicContact CE2-CE2 4.09Å; F115-F234 AromaticContact CZ-CE2 3.79Å; F115-F234 HydrophobicContact CZ-CE2 3.79Å; F115-F234 AromaticContact CZ-CZ 3.97Å; F115-F234 HydrophobicContact CZ-CZ 3.97Å; F115-L355 HydrophobicContact CE1-CD2 4.11Å |
| 116 | C | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | -10.8 | -156.5 | 66 | 0 | 0 | 0 | 0 | 117 | I94 Y95 T108 E114 Y127 | I94-C116 HydrophobicContact CD1-CB 3.98Å; Y95-C116 VanDerWaalsContact CD1-SG 3.54Å; T108-C116 PolarHBondContact O-N 3.09Å; E114-C116 PolarHBondContact O-N 2.83Å; C116-Y127 CarbonylContact O-C 3.54Å |
| 117 | R | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 137.2 | 170.1 | 174.1 | 172.8 | 69.7 | -156 | -8.7 | 109.7 | Y95 T108 Y125 H126 Y127 D434 F809 | Y95-R117 HydrophobicContact CD1-CB 4.22Å; Y95-R117 HydrophobicContact CE1-CB 3.77Å; T108-R117 PolarHBondContact N-O 3.35Å; T108-R117 PolarHBondContact OG1-NE 3.3Å; R117-Y125 HydrophobicContact CG-CD1 3.9Å; R117-H126 CarbonylContact C-O 3.37Å; R117-H126 WeakPolarHBondContact CA-O 3.24Å; R117-Y127 HydrophobicContact CG-CD1 4.14Å; R117-Y127 HydrophobicContact CG-CE1 4.22Å; R117-D434 IonicContact CZ-OD2 3.57Å; R117-D434 IonicContact NE-OD1 2.78Å; R117-D434 IonicContact NE-OD2 3.97Å; R117-D434 PolarHBondContact NE-OD2 2.6Å; R117-D434 IonicContact NH2-OD2 3.82Å; R117-D434 PolarHBondContact NH2-OD2 3.15Å; R117-F809 PolarHBondContact NH1-O 2.87Å; R117-F809 PolarHBondContact NH2-O 2.8Å |
| 118 | W | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 121.6 | -173.2 | -55.1 | 77.2 | 0 | 0 | 0 | 109.4 | I107 F115 L120 Y125 H126 K128 V130 N133 M236 S240 | I107-W118 HydrophobicContact CB-CE3 4.35Å; I107-W118 HydrophobicContact CB-CZ3 4.49Å; I107-W118 HydrophobicContact CD1-CE3 3.94Å; I107-W118 HydrophobicContact CD1-CZ3 3.58Å; I107-W118 HydrophobicContact CG1-CE3 3.72Å; I107-W118 HydrophobicContact CG1-CZ3 3.89Å; I107-W118 HydrophobicContact CG2-CD2 4.08Å; I107-W118 HydrophobicContact CG2-CE3 3.79Å; I107-W118 HydrophobicContact CG2-CH2 4Å; I107-W118 HydrophobicContact CG2-CZ2 4.25Å; I107-W118 HydrophobicContact CG2-CZ3 3.77Å; F115-W118 HydrophobicContact CB-CH2 4.48Å; F115-W118 HydrophobicContact CB-CZ2 3.81Å; W118-L120 HydrophobicContact CE3-CD1 4.3Å; W118-Y125 CarbonylContact O-C 3.52Å; W118-Y125 WeakPolarHBondContact O-CA 3.37Å; W118-H126 HydrophobicContact CB-CB 4.28Å; W118-H126 PolarHBondContact N-O 2.92Å; W118-H126 PolarHBondContact O-N 2.79Å; W118-K128 PolarHBondContact NE1-O 3.46Å; W118-V130 HydrophobicContact CZ2-CB 4.08Å; W118-V130 HydrophobicContact CZ2-CG2 3.57Å; W118-N133 VanDerWaalsContact CH2-ND2 3.31Å; W118-N133 WeakPolarHBondContact CH2-ND2 3.38Å; W118-N133 WeakPolarHBondContact CZ2-ND2 3.33Å; W118-M236 HydrophobicContact CH2-CE 3.77Å; W118-M236 HydrophobicContact CZ3-CE 4.32Å; W118-S240 VanDerWaalsContact CD1-O 3.32Å; W118-S240 PolarHBondContact NE1-O 3.16Å |
| 119 | Q | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 61.7 | 174.9 | -170.8 | -90.4 | -42 | 0 | 0 | 108.3 | G105 T106 N121 Y125 | G105-Q119 CarbonylContact C-O 3.59Å; G105-Q119 WeakPolarHBondContact CA-O 3.3Å; T106-Q119 PolarHBondContact N-O 3.31Å; T106-Q119 PolarHBondContact O-N 3.12Å; Q119-N121 PolarHBondContact NE2-O 2.9Å; Q119-Y125 HydrophobicContact CB-CD1 3.82Å; Q119-Y125 HydrophobicContact CB-CE1 3.67Å; Q119-Y125 HydrophobicContact CG-CD1 4.11Å; Q119-Y125 HydrophobicContact CG-CE1 3.71Å; Q119-Y125 HydrophobicContact CG-CE2 4.26Å |
| 120 | L | 95.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | trans | -84.1 | -37.6 | 174.8 | -60.6 | -173.4 | 0 | 0 | 0 | 110.8 | I107 W118 Y278 L280 W357 M359 R373 | I107-L120 HydrophobicContact CD1-CD2 4.31Å; I107-L120 HydrophobicContact CG1-CD2 3.95Å; W118-L120 HydrophobicContact CE3-CD1 4.3Å; L120-Y278 HydrophobicContact CD1-CD2 4.09Å; L120-Y278 HydrophobicContact CD1-CE1 4.23Å; L120-Y278 HydrophobicContact CD1-CE2 3.56Å; L120-L280 HydrophobicContact CD1-CD2 4.33Å; L120-W357 HydrophobicContact CD2-CD2 4.34Å; L120-W357 HydrophobicContact CD2-CG 4Å; L120-M359 HydrophobicContact CB-CE 4.05Å; L120-M359 VanDerWaalsContact O-SD 3.33Å; L120-R373 PolarHBondContact O-NH2 2.88Å | ||
| 121 | N | 94.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 22.5 Ų | 22.5 | 23% | 0.225 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -80.9 | 141.4 | 174.5 | -77.8 | -54.2 | 0 | 0 | 0 | 110.9 | Q119 G123 M124 N276 | Q119-N121 PolarHBondContact NE2-O 2.9Å; N121-G123 PolarHBondContact O-N 2.84Å; N121-G123 VanDerWaalsContact O-N 3.12Å; N121-M124 HydrophobicContact CB-CB 3.96Å; N121-M124 PolarHBondContact O-N 3.5Å; N121-M124 VanDerWaalsContact O-N 3.08Å; N121-N276 WeakPolarHBondContact OD1-CB 3.39Å; N121-N276 PolarHBondContact OD1-ND2 3.19Å |
| 122 | P | 93.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 116.1 | 178.7 | -31.4 | 38.2 | 0 | 0 | 0 | 113.1 | M124 I362 F364 V438 | P122-M124 WeakPolarHBondContact O-CG 3.28Å; P122-M124 PolarHBondContact O-N 3.31Å; P122-I362 HydrophobicContact CB-CD1 4.39Å; P122-I362 HydrophobicContact CG-CB 3.87Å; P122-I362 HydrophobicContact CG-CD1 3.52Å; P122-I362 HydrophobicContact CG-CG1 4.23Å; P122-I362 HydrophobicContact CG-CG2 4.1Å; P122-F364 HydrophobicContact CB-CD1 3.74Å; P122-F364 HydrophobicContact CB-CE1 3.57Å; P122-F364 HydrophobicContact CB-CZ 4.47Å; P122-V438 HydrophobicContact CB-CG1 3.69Å; P122-V438 HydrophobicContact CG-CG1 4.43Å |
| 123 | G | 92.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 6.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | N121 G436 Y483 | N121-G123 PolarHBondContact O-N 2.84Å; N121-G123 VanDerWaalsContact O-N 3.12Å; G123-G436 PolarHBondContact N-O 3.13Å; G123-Y483 WeakPolarHBondContact CA-OH 3.44Å; G123-Y483 PolarHBondContact N-OH 3.37Å |
| 124 | M | 93 | Very high | 95.3 | Very high | 52 Ų | 52 | 20.4 Ų | 20.4 | 26% | 0.256 | 10% | 0.099 | S | C | . | . | trans | -114.9 | 133.6 | -175.3 | -62.9 | -57.3 | -82.5 | 0 | 0 | 111.6 | N121 P122 R481 P547 | N121-M124 HydrophobicContact CB-CB 3.96Å; N121-M124 PolarHBondContact O-N 3.5Å; N121-M124 VanDerWaalsContact O-N 3.08Å; P122-M124 WeakPolarHBondContact O-CG 3.28Å; P122-M124 PolarHBondContact O-N 3.31Å; M124-R481 PolarHBondContact SD-NH1 3.24Å; M124-P547 HydrophobicContact SD-CB 4.29Å; M124-P547 HydrophobicContact SD-CG 4.16Å | ||
| 125 | Y | 94.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 20.1 Ų | 20.1 | 10% | 0.098 | 10% | 0.098 | C | C | . | . | trans | -115.1 | 146.5 | -173.3 | -67.5 | -96.2 | 0 | 0 | 0 | 113.7 | R117 W118 Q119 Y127 D434 G435 G436 L475 Q478 | R117-Y125 HydrophobicContact CG-CD1 3.9Å; W118-Y125 CarbonylContact O-C 3.52Å; W118-Y125 WeakPolarHBondContact O-CA 3.37Å; Q119-Y125 HydrophobicContact CB-CD1 3.82Å; Q119-Y125 HydrophobicContact CB-CE1 3.67Å; Q119-Y125 HydrophobicContact CG-CD1 4.11Å; Q119-Y125 HydrophobicContact CG-CE1 3.71Å; Q119-Y125 HydrophobicContact CG-CE2 4.26Å; Y125-Y127 VanDerWaalsContact CB-CZ 3.43Å; Y125-Y127 WeakPolarHBondContact CB-OH 3.42Å; Y125-Y127 HydrophobicContact CG-CE1 4.46Å; Y125-Y127 AromaticContact CG-CZ 3.99Å; Y125-D434 PolarHBondContact OH-O 2.96Å; Y125-G435 VanDerWaalsContact OH-C 3.24Å; Y125-G436 WeakPolarHBondContact OH-CA 3.34Å; Y125-G436 PolarHBondContact OH-N 2.8Å; Y125-L475 HydrophobicContact CE2-CD1 3.92Å; Y125-Q478 HydrophobicContact CD1-CG 4.42Å; Y125-Q478 HydrophobicContact CD2-CG 4.3Å; Y125-Q478 HydrophobicContact CE1-CG 3.9Å; Y125-Q478 HydrophobicContact CE2-CG 3.78Å; Y125-Q478 PolarHBondContact OH-NE2 3.29Å | ||
| 126 | H | 92.7 | Very high | 95.5 | Very high | 33 Ų | 33 | 20.1 Ų | 20.1 | 15% | 0.153 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 118.5 | 163.8 | -54.3 | -42.4 | 0 | 0 | 0 | 110 | R117 W118 K128 S240 H242 | R117-H126 CarbonylContact C-O 3.37Å; R117-H126 WeakPolarHBondContact CA-O 3.24Å; W118-H126 HydrophobicContact CB-CB 4.28Å; W118-H126 PolarHBondContact N-O 2.92Å; W118-H126 PolarHBondContact O-N 2.79Å; H126-K128 VanDerWaalsContact C-N 3.3Å; H126-K128 PolarHBondContact O-N 2.96Å; H126-S240 PolarHBondContact CD2-OG 3.24Å; H126-H242 AromaticContact CD2-CG 3.96Å; H126-H242 AromaticContact CE1-CD2 3.3Å; H126-H242 PolarHBondContact CE1-CD2 2.86Å; H126-H242 AromaticContact CE1-CE1 3.73Å; H126-H242 AromaticContact CE1-CG 3.55Å; H126-H242 AromaticContact CE1-ND1 3.82Å; H126-H242 AromaticContact CE1-NE2 3.5Å; H126-H242 PolarHBondContact CE1-NE2 3.09Å; H126-H242 AromaticContact CG-CD2 3.85Å; H126-H242 AromaticContact ND1-CD2 3.32Å; H126-H242 PolarHBondContact ND1-CD2 2.84Å; H126-H242 VanDerWaalsContact ND1-CD2 3.32Å; H126-H242 AromaticContact ND1-CG 3.87Å; H126-H242 AromaticContact ND1-NE2 3.8Å; H126-H242 AromaticContact NE2-CD2 3.83Å; H126-H242 AromaticContact NE2-CG 3.6Å; H126-H242 AromaticContact NE2-ND1 3.87Å |
| 127 | Y | 93.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 20.1 Ų | 20.1 | 17% | 0.169 | 10% | 0.098 | C | C | . | . | trans | -92.5 | 23.7 | -175.4 | -57.6 | -80 | 0 | 0 | 0 | 113.2 | L89 R92 C116 R117 Y125 Q478 | L89-Y127 HydrophobicContact CD1-CE1 4.2Å; L89-Y127 HydrophobicContact CD1-CE2 3.87Å; L89-Y127 VanDerWaalsContact CD1-CZ 3.5Å; L89-Y127 WeakPolarHBondContact CD1-OH 3.43Å; L89-Y127 HydrophobicContact CD2-CD2 3.92Å; L89-Y127 HydrophobicContact CD2-CE2 3.51Å; L89-Y127 HydrophobicContact CG-CE2 4.39Å; R92-Y127 PolarHBondContact NH1-O 3.15Å; C116-Y127 CarbonylContact O-C 3.54Å; R117-Y127 HydrophobicContact CG-CD1 4.14Å; R117-Y127 HydrophobicContact CG-CE1 4.22Å; Y125-Y127 VanDerWaalsContact CB-CZ 3.43Å; Y125-Y127 WeakPolarHBondContact CB-OH 3.42Å; Y125-Y127 HydrophobicContact CG-CE1 4.46Å; Y125-Y127 AromaticContact CG-CZ 3.99Å; Y127-Q478 WeakPolarHBondContact OH-CB 3.45Å | ||
| 128 | K | 92.5 | Very high | 95.6 | Very high | 117 Ų | 117 | 20.1 Ų | 20.1 | 51% | 0.509 | 10% | 0.098 | S | C | . | . | trans | -95.1 | 129.1 | -172.8 | -164.1 | -176.6 | -177.6 | 173 | 0 | 110.8 | W118 H126 V130 G241 | W118-K128 PolarHBondContact NE1-O 3.46Å; H126-K128 VanDerWaalsContact C-N 3.3Å; H126-K128 PolarHBondContact O-N 2.96Å; K128-V130 PolarHBondContact O-N 3.46Å; K128-G241 WeakPolarHBondContact CD-O 3.49Å; K128-G241 PolarHBondContact NZ-O 3.19Å | ||
| 129 | T | 95.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 20.1 Ų | 20.1 | 23% | 0.227 | 10% | 0.098 | C | C | . | . | trans | -66.3 | 121.1 | 166.9 | -53 | 0 | 0 | 0 | 0 | 110.8 | E114 F115 I131 | E114-T129 HydrophobicContact CB-CG2 3.59Å; E114-T129 HydrophobicContact CG-CG2 4.21Å; F115-T129 WeakPolarHBondContact O-CA 3.39Å; T129-I131 HydrophobicContact CG2-CD1 3.91Å; T129-I131 PolarHBondContact O-N 2.79Å | ||
| 130 | V | 96.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 6% | 0.061 | 10% | 0.102 | C | C | . | . | trans | -93.8 | 88.3 | 174.3 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | F115 W118 K128 A132 N133 V237 S240 | F115-V130 PolarHBondContact O-N 2.84Å; W118-V130 HydrophobicContact CZ2-CB 4.08Å; W118-V130 HydrophobicContact CZ2-CG2 3.57Å; K128-V130 PolarHBondContact O-N 3.46Å; V130-A132 PolarHBondContact O-N 3.28Å; V130-A132 VanDerWaalsContact O-N 3.1Å; V130-N133 HydrophobicContact CB-CB 4.41Å; V130-N133 HydrophobicContact CG1-CB 4.42Å; V130-N133 VanDerWaalsContact CG1-CG 3.49Å; V130-N133 VanDerWaalsContact CG1-OD1 3.24Å; V130-N133 WeakPolarHBondContact CG1-OD1 3.33Å; V130-N133 WeakPolarHBondContact O-CB 3.39Å; V130-N133 PolarHBondContact O-N 2.86Å; V130-V237 HydrophobicContact CG1-CB 3.92Å; V130-V237 HydrophobicContact CG1-CG2 3.66Å; V130-S240 WeakPolarHBondContact CG2-O 3.35Å | ||
| 131 | I | 94.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 26.7 Ų | 26.7 | 21% | 0.21 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -35.6 | -172.8 | -68.5 | -63 | 0 | 0 | 0 | 113.9 | T129 N133 Q134 P156 L159 W164 | T129-I131 HydrophobicContact CG2-CD1 3.91Å; T129-I131 PolarHBondContact O-N 2.79Å; I131-N133 PolarHBondContact O-N 2.84Å; I131-Q134 VanDerWaalsContact O-CG 3.27Å; I131-Q134 WeakPolarHBondContact O-CG 3.2Å; I131-Q134 PolarHBondContact O-NE2 2.89Å; I131-P156 HydrophobicContact CG1-CB 4.44Å; I131-P156 HydrophobicContact CG2-CB 3.4Å; I131-P156 HydrophobicContact CG2-CG 3.6Å; I131-L159 HydrophobicContact CG2-CD1 4.25Å; I131-W164 HydrophobicContact CG2-CH2 4.08Å; I131-W164 HydrophobicContact CG2-CZ2 4.42Å |
| 132 | A | 96.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 7% | 0.066 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V130 Q134 L159 T235 V237 P300 | V130-A132 PolarHBondContact O-N 3.28Å; V130-A132 VanDerWaalsContact O-N 3.1Å; A132-Q134 PolarHBondContact O-N 2.84Å; A132-L159 HydrophobicContact CB-CD1 3.83Å; A132-T235 WeakPolarHBondContact O-CB 3.3Å; A132-T235 PolarHBondContact O-OG1 3.48Å; A132-V237 HydrophobicContact CB-CG2 3.69Å; A132-P300 HydrophobicContact CB-CB 3.96Å |
| 133 | N | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -85.6 | 105 | 177.1 | -63 | 7.2 | 0 | 0 | 0 | 108.7 | F115 W118 V130 I131 T235 M236 V237 | F115-N133 HydrophobicContact CB-CB 4.05Å; F115-N133 HydrophobicContact CD2-CB 3.45Å; F115-N133 VanDerWaalsContact CD2-CB 3.45Å; F115-N133 WeakPolarHBondContact CD2-O 3.29Å; F115-N133 HydrophobicContact CE2-CB 4.09Å; F115-N133 HydrophobicContact CG-CB 3.89Å; W118-N133 VanDerWaalsContact CH2-ND2 3.31Å; W118-N133 WeakPolarHBondContact CH2-ND2 3.38Å; W118-N133 WeakPolarHBondContact CZ2-ND2 3.33Å; V130-N133 HydrophobicContact CB-CB 4.41Å; V130-N133 HydrophobicContact CG1-CB 4.42Å; V130-N133 VanDerWaalsContact CG1-CG 3.49Å; V130-N133 VanDerWaalsContact CG1-OD1 3.24Å; V130-N133 WeakPolarHBondContact CG1-OD1 3.33Å; V130-N133 WeakPolarHBondContact O-CB 3.39Å; V130-N133 PolarHBondContact O-N 2.86Å; I131-N133 PolarHBondContact O-N 2.84Å; N133-T235 WeakPolarHBondContact CA-O 3.36Å; N133-M236 HydrophobicContact CB-SD 3.51Å; N133-M236 VanDerWaalsContact CB-SD 3.51Å; N133-M236 PolarHBondContact ND2-SD 2.98Å; N133-M236 WeakPolarHBondContact OD1-CA 3.35Å; N133-V237 PolarHBondContact OD1-N 2.85Å | ||
| 134 | Q | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 160.2 | -168.5 | -65.9 | -61 | -18.7 | 0 | 0 | 113.1 | I131 A132 V150 W164 F234 T235 | I131-Q134 VanDerWaalsContact O-CG 3.27Å; I131-Q134 WeakPolarHBondContact O-CG 3.2Å; I131-Q134 PolarHBondContact O-NE2 2.89Å; A132-Q134 PolarHBondContact O-N 2.84Å; Q134-V150 HydrophobicContact CB-CG1 4.14Å; Q134-V150 HydrophobicContact CG-CG1 4.02Å; Q134-W164 HydrophobicContact CG-CH2 3.58Å; Q134-W164 HydrophobicContact CG-CZ3 4.09Å; Q134-F234 WeakPolarHBondContact O-CA 3.41Å; Q134-F234 WeakPolarHBondContact O-CD2 3.5Å; Q134-T235 PolarHBondContact N-O 2.94Å; Q134-T235 PolarHBondContact N-OG1 2.99Å; Q134-T235 PolarHBondContact O-N 3.45Å; Q134-T235 PolarHBondContact O-OG1 3.1Å |
| 135 | F | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 138.2 | 158.3 | -70.2 | -85.2 | 0 | 0 | 0 | 110.4 | F115 L151 F216 W218 I232 M233 F234 F353 | F115-F135 HydrophobicContact CZ-CE2 4.49Å; F135-L151 HydrophobicContact CB-CD1 4.35Å; F135-L151 WeakPolarHBondContact O-CB 3.39Å; F135-L151 PolarHBondContact O-N 2.95Å; F135-F216 HydrophobicContact CE2-CD1 4.06Å; F135-F216 HydrophobicContact CE2-CD2 4.43Å; F135-F216 HydrophobicContact CE2-CE1 4.21Å; F135-F216 HydrophobicContact CE2-CG 4.15Å; F135-F216 HydrophobicContact CE2-CZ 4.44Å; F135-F216 HydrophobicContact CZ-CB 3.97Å; F135-F216 HydrophobicContact CZ-CD1 4.06Å; F135-F216 AromaticContact CZ-CD2 3.8Å; F135-F216 HydrophobicContact CZ-CD2 3.8Å; F135-F216 HydrophobicContact CZ-CE1 4.49Å; F135-F216 HydrophobicContact CZ-CE2 4.25Å; F135-F216 AromaticContact CZ-CG 3.68Å; F135-F216 HydrophobicContact CZ-CG 3.68Å; F135-W218 HydrophobicContact CB-CH2 4.12Å; F135-W218 HydrophobicContact CB-CZ2 3.52Å; F135-W218 AromaticContact CD1-CE2 3.81Å; F135-W218 AromaticContact CD1-CZ2 3.78Å; F135-W218 HydrophobicContact CD1-CZ2 3.78Å; F135-W218 AromaticContact CD1-NE1 3.4Å; F135-W218 AromaticContact CD2-CZ2 3.79Å; F135-W218 HydrophobicContact CD2-CZ2 3.79Å; F135-W218 HydrophobicContact CE1-CZ2 4.41Å; F135-W218 AromaticContact CE1-NE1 3.34Å; F135-W218 VanDerWaalsContact CE1-NE1 3.34Å; F135-W218 HydrophobicContact CE2-CZ2 4.42Å; F135-W218 AromaticContact CG-CE2 3.95Å; F135-W218 HydrophobicContact CG-CH2 4.45Å; F135-W218 AromaticContact CG-CZ2 3.42Å; F135-W218 HydrophobicContact CG-CZ2 3.42Å; F135-W218 VanDerWaalsContact CG-CZ2 3.42Å; F135-W218 AromaticContact CG-NE1 3.96Å; F135-W218 AromaticContact CZ-NE1 3.88Å; F135-I232 HydrophobicContact CD1-CG2 3.81Å; F135-M233 CarbonylContact C-O 3.59Å; F135-M233 VanDerWaalsContact CA-O 3.28Å; F135-M233 WeakPolarHBondContact CA-O 3.32Å; F135-F234 HydrophobicContact CD1-CB 3.88Å; F135-F234 HydrophobicContact CD1-CD2 4.18Å; F135-F234 HydrophobicContact CD1-CG 4.1Å; F135-F234 HydrophobicContact CD2-CD2 4.35Å; F135-F234 HydrophobicContact CE1-CB 3.57Å; F135-F234 AromaticContact CE1-CD1 3.92Å; F135-F234 HydrophobicContact CE1-CD1 3.92Å; F135-F234 AromaticContact CE1-CD2 3.81Å; F135-F234 HydrophobicContact CE1-CD2 3.81Å; F135-F234 HydrophobicContact CE1-CE2 4.49Å; F135-F234 AromaticContact CE1-CG 3.49Å; F135-F234 HydrophobicContact CE1-CG 3.49Å; F135-F234 VanDerWaalsContact CE1-CG 3.49Å; F135-F234 AromaticContact CE2-CD2 3.98Å; F135-F234 HydrophobicContact CE2-CD2 3.98Å; F135-F234 AromaticContact CE2-CE2 3.99Å; F135-F234 HydrophobicContact CE2-CE2 3.99Å; F135-F234 HydrophobicContact CE2-CG 4.42Å; F135-F234 HydrophobicContact CE2-CZ 4.4Å; F135-F234 HydrophobicContact CG-CD2 4.45Å; F135-F234 HydrophobicContact CZ-CB 4.28Å; F135-F234 AromaticContact CZ-CD1 3.85Å; F135-F234 HydrophobicContact CZ-CD1 3.85Å; F135-F234 AromaticContact CZ-CD2 3.69Å; F135-F234 HydrophobicContact CZ-CD2 3.69Å; F135-F234 HydrophobicContact CZ-CE1 4.05Å; F135-F234 AromaticContact CZ-CE2 3.92Å; F135-F234 HydrophobicContact CZ-CE2 3.92Å; F135-F234 AromaticContact CZ-CG 3.68Å; F135-F234 HydrophobicContact CZ-CG 3.68Å; F135-F234 HydrophobicContact CZ-CZ 4.09Å; F135-F353 HydrophobicContact CE1-CD2 4.32Å; F135-F353 HydrophobicContact CE1-CG 4.24Å |
| 136 | T | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.6 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 109 | Q148 Q149 I232 M233 W308 L311 | T136-Q148 HydrophobicContact CG2-CG 4.02Å; T136-Q149 WeakPolarHBondContact CA-O 3.47Å; T136-Q149 WeakPolarHBondContact CG2-O 3.32Å; T136-I232 CarbonylContact O-C 3.57Å; T136-I232 WeakPolarHBondContact O-CA 3.45Å; T136-M233 HydrophobicContact CG2-CE 4.32Å; T136-M233 PolarHBondContact N-O 2.95Å; T136-M233 PolarHBondContact O-N 2.79Å; T136-W308 HydrophobicContact CG2-CE3 4.4Å; T136-W308 HydrophobicContact CG2-CH2 3.98Å; T136-W308 HydrophobicContact CG2-CZ3 3.51Å; T136-L311 HydrophobicContact CG2-CD2 4.27Å |
| 137 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 141.4 | 173.6 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | L139 Y147 Q148 Q149 L151 L186 L193 V230 S231 | V137-L139 HydrophobicContact CG2-CD2 3.77Å; V137-L139 HydrophobicContact CG2-CG 4.37Å; V137-Y147 HydrophobicContact CG1-CD1 4.34Å; V137-Y147 HydrophobicContact CG1-CE1 4.06Å; V137-Q148 CarbonylContact O-C 3.57Å; V137-Q148 VanDerWaalsContact O-CA 3.24Å; V137-Q148 WeakPolarHBondContact O-CA 3.31Å; V137-Q148 WeakPolarHBondContact O-CG 3.38Å; V137-Q149 HydrophobicContact CG1-CB 4.19Å; V137-Q149 PolarHBondContact N-O 3.34Å; V137-Q149 PolarHBondContact O-N 3.32Å; V137-L151 HydrophobicContact CB-CD1 4.5Å; V137-L151 HydrophobicContact CG1-CD2 3.9Å; V137-L151 HydrophobicContact CG1-CG 4.4Å; V137-L186 HydrophobicContact CG1-CD1 4.14Å; V137-L186 HydrophobicContact CG1-CD2 4.43Å; V137-L186 HydrophobicContact CG2-CD1 4.47Å; V137-L193 HydrophobicContact CB-CD1 3.88Å; V137-L193 HydrophobicContact CG1-CD1 4.06Å; V137-L193 HydrophobicContact CG2-CD1 3.91Å; V137-V230 HydrophobicContact CG2-CG1 4.13Å; V137-S231 CarbonylContact C-O 3.55Å; V137-S231 WeakPolarHBondContact CA-O 3.2Å |
| 138 | C | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.3 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | T145 Y147 Q148 V230 S231 L311 | C138-T145 VanDerWaalsContact SG-CG2 3.56Å; C138-Y147 CarbonylContact C-O 3.59Å; C138-Y147 WeakPolarHBondContact CA-O 3.43Å; C138-Q148 HydrophobicContact CB-CG 4.08Å; C138-Q148 PolarHBondContact SG-OE1 2.81Å; C138-V230 WeakPolarHBondContact O-CA 3.25Å; C138-S231 PolarHBondContact N-O 3.22Å; C138-S231 PolarHBondContact O-N 3.16Å; C138-L311 HydrophobicContact CB-CD2 4.12Å; C138-L311 HydrophobicContact CB-CG 4.12Å |
| 139 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.7 | 174.6 | -50.6 | -178.6 | 0 | 0 | 0 | 109.3 | V137 V146 Y147 L186 Q189 V191 V230 | V137-L139 HydrophobicContact CG2-CD2 3.77Å; V137-L139 HydrophobicContact CG2-CG 4.37Å; L139-V146 HydrophobicContact CB-CG2 3.98Å; L139-V146 WeakPolarHBondContact O-CG2 3.44Å; L139-V146 PolarHBondContact O-N 2.9Å; L139-Y147 HydrophobicContact CD1-CD1 4.11Å; L139-Y147 HydrophobicContact CD1-CG 4.36Å; L139-Y147 HydrophobicContact CG-CD1 4.19Å; L139-Y147 PolarHBondContact N-O 2.74Å; L139-Y147 PolarHBondContact O-N 2.92Å; L139-L186 HydrophobicContact CD1-CD1 3.9Å; L139-L186 HydrophobicContact CD2-CD1 4.43Å; L139-L186 HydrophobicContact CG-CD1 4.41Å; L139-Q189 HydrophobicContact CD1-CB 3.82Å; L139-Q189 HydrophobicContact CD1-CG 3.95Å; L139-V191 HydrophobicContact CD1-CB 4.43Å; L139-V191 HydrophobicContact CD1-CG2 4.14Å; L139-V230 HydrophobicContact CD2-CB 4.28Å; L139-V230 HydrophobicContact CD2-CG1 3.85Å; L139-V230 HydrophobicContact CD2-CG2 3.68Å |
| 140 | R | 98 | Very high | 97.1 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.9 | -177.9 | -67.5 | 172.4 | 61 | 79 | -2.4 | 111 | G143 Q144 T145 L228 D229 I312 T313 D314 | R140-G143 VanDerWaalsContact NH2-C 3.25Å; R140-G143 PolarHBondContact NH2-O 3.39Å; R140-Q144 CarbonylContact C-O 3.32Å; R140-Q144 VanDerWaalsContact CA-O 3.23Å; R140-Q144 WeakPolarHBondContact CA-O 3.28Å; R140-T145 WeakPolarHBondContact CG-OG1 3.43Å; R140-T145 PolarHBondContact NH1-OG1 2.75Å; R140-L228 WeakPolarHBondContact O-CD2 3.09Å; R140-D229 HydrophobicContact CB-CB 4.13Å; R140-D229 PolarHBondContact N-O 2.64Å; R140-D229 PolarHBondContact O-N 3.15Å; R140-I312 PolarHBondContact NH1-O 2.76Å; R140-T313 PolarHBondContact NH1-O 3.05Å; R140-T313 PolarHBondContact NH2-O 2.79Å; R140-D314 VanDerWaalsContact NE-C 3.34Å; R140-D314 PolarHBondContact NE-O 2.84Å |
| 141 | R | 96.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 30.5 Ų | 30.5 | 47% | 0.468 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 125.2 | 176.7 | -173.7 | 179.4 | 67.5 | -177 | -0.8 | 109.2 | G143 Q144 V146 Y226 L228 | R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 2.78Å; R141-Q144 PolarHBondContact N-O 2.8Å; R141-Q144 PolarHBondContact O-N 2.75Å; R141-V146 HydrophobicContact CB-CG1 4.06Å; R141-Y226 HydrophobicContact CG-CD2 4.46Å; R141-L228 HydrophobicContact CB-CD2 4.24Å |
| 142 | G | 93 | Very high | 97.3 | Very high | 80 Ų | 80 | 28.5 Ų | 28.5 | 83% | 0.825 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 36.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q144 | G142-Q144 VanDerWaalsContact C-N 3.27Å; G142-Q144 PolarHBondContact O-N 2.98Å |
| 143 | G | 91.9 | Very high | 97.3 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 47% | 0.474 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 10.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R140 R141 | R140-G143 VanDerWaalsContact NH2-C 3.25Å; R140-G143 PolarHBondContact NH2-O 3.39Å; R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 2.78Å |
| 144 | Q | 96.3 | Very high | 97.2 | Very high | 148 Ų | 148 | 32.7 Ų | 32.7 | 69% | 0.692 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.9 | 176.5 | -65 | -173.9 | -17.2 | 0 | 0 | 111.2 | R140 R141 G142 V146 | R140-Q144 CarbonylContact C-O 3.32Å; R140-Q144 VanDerWaalsContact CA-O 3.23Å; R140-Q144 WeakPolarHBondContact CA-O 3.28Å; R141-Q144 PolarHBondContact N-O 2.8Å; R141-Q144 PolarHBondContact O-N 2.75Å; G142-Q144 VanDerWaalsContact C-N 3.27Å; G142-Q144 PolarHBondContact O-N 2.98Å; Q144-V146 PolarHBondContact O-N 3Å |
| 145 | T | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 23% | 0.233 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 122.3 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | C138 R140 Q148 I312 | C138-T145 VanDerWaalsContact SG-CG2 3.56Å; R140-T145 WeakPolarHBondContact CG-OG1 3.43Å; R140-T145 PolarHBondContact NH1-OG1 2.75Å; T145-Q148 HydrophobicContact CG2-CB 4.36Å; T145-I312 WeakPolarHBondContact CB-O 3.49Å; T145-I312 HydrophobicContact CG2-CG1 4.49Å; T145-I312 PolarHBondContact OG1-O 2.87Å |
| 146 | V | 97.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 38% | 0.382 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -21.4 | 178.9 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | L139 R141 Q144 | L139-V146 HydrophobicContact CB-CG2 3.98Å; L139-V146 WeakPolarHBondContact O-CG2 3.44Å; L139-V146 PolarHBondContact O-N 2.9Å; R141-V146 HydrophobicContact CB-CG1 4.06Å; Q144-V146 PolarHBondContact O-N 3Å |
| 147 | Y | 98.1 | Very high | 96.3 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 133.7 | -179.3 | -174.7 | -97.6 | 0 | 0 | 0 | 110.9 | V137 C138 L139 Q149 L186 Q189 | V137-Y147 HydrophobicContact CG1-CD1 4.34Å; V137-Y147 HydrophobicContact CG1-CE1 4.06Å; C138-Y147 CarbonylContact C-O 3.59Å; C138-Y147 WeakPolarHBondContact CA-O 3.43Å; L139-Y147 HydrophobicContact CD1-CD1 4.11Å; L139-Y147 HydrophobicContact CD1-CG 4.36Å; L139-Y147 HydrophobicContact CG-CD1 4.19Å; L139-Y147 PolarHBondContact N-O 2.74Å; L139-Y147 PolarHBondContact O-N 2.92Å; Y147-Q149 HydrophobicContact CD1-CB 4.29Å; Y147-Q149 HydrophobicContact CE1-CB 3.41Å; Y147-Q149 VanDerWaalsContact CE1-CB 3.41Å; Y147-Q149 HydrophobicContact CE1-CG 4.23Å; Y147-Q149 WeakPolarHBondContact OH-CB 3.36Å; Y147-Q149 WeakPolarHBondContact OH-CG 3.45Å; Y147-L186 HydrophobicContact CD1-CD1 4.25Å; Y147-L186 HydrophobicContact CE1-CB 4.47Å; Y147-L186 HydrophobicContact CE1-CD1 3.99Å; Y147-L186 HydrophobicContact CE1-CD2 4.09Å; Y147-L186 HydrophobicContact CE1-CG 4.42Å; Y147-Q189 HydrophobicContact CD1-CG 4.28Å; Y147-Q189 HydrophobicContact CD2-CG 3.8Å; Y147-Q189 HydrophobicContact CE2-CG 4.21Å; Y147-Q189 HydrophobicContact CG-CG 3.84Å |
| 148 | Q | 98.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 132.5 | 169.4 | -167.6 | 172.4 | -70.5 | 0 | 0 | 110.5 | T136 V137 C138 T145 N163 W308 I312 | T136-Q148 HydrophobicContact CG2-CG 4.02Å; V137-Q148 CarbonylContact O-C 3.57Å; V137-Q148 VanDerWaalsContact O-CA 3.24Å; V137-Q148 WeakPolarHBondContact O-CA 3.31Å; V137-Q148 WeakPolarHBondContact O-CG 3.38Å; C138-Q148 HydrophobicContact CB-CG 4.08Å; C138-Q148 PolarHBondContact SG-OE1 2.81Å; T145-Q148 HydrophobicContact CG2-CB 4.36Å; Q148-N163 PolarHBondContact O-ND2 3.49Å; Q148-W308 HydrophobicContact CB-CH2 4.28Å; Q148-W308 HydrophobicContact CB-CZ2 3.94Å; Q148-W308 HydrophobicContact CG-CH2 3.62Å; Q148-W308 HydrophobicContact CG-CZ2 3.65Å; Q148-W308 HydrophobicContact CG-CZ3 4.18Å; Q148-W308 VanDerWaalsContact NE2-CE3 3.31Å; Q148-W308 PolarHBondContact NE2-O 2.84Å; Q148-W308 VanDerWaalsContact NE2-O 3.16Å; Q148-I312 HydrophobicContact CB-CG1 4.42Å; Q148-I312 VanDerWaalsContact OE1-CG1 3.24Å |
| 149 | Q | 98 | Very high | 95.7 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 131.6 | -169.4 | 178.7 | 66.1 | 58.5 | 0 | 0 | 111.6 | T136 V137 Y147 N163 Y166 | T136-Q149 WeakPolarHBondContact CA-O 3.47Å; T136-Q149 WeakPolarHBondContact CG2-O 3.32Å; V137-Q149 HydrophobicContact CG1-CB 4.19Å; V137-Q149 PolarHBondContact N-O 3.34Å; V137-Q149 PolarHBondContact O-N 3.32Å; Y147-Q149 HydrophobicContact CD1-CB 4.29Å; Y147-Q149 HydrophobicContact CE1-CB 3.41Å; Y147-Q149 VanDerWaalsContact CE1-CB 3.41Å; Y147-Q149 HydrophobicContact CE1-CG 4.23Å; Y147-Q149 WeakPolarHBondContact OH-CB 3.36Å; Y147-Q149 WeakPolarHBondContact OH-CG 3.45Å; Q149-N163 PolarHBondContact NE2-O 3.34Å; Q149-N163 PolarHBondContact OE1-ND2 3.16Å; Q149-Y166 HydrophobicContact CG-CD2 3.84Å |
| 150 | V | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.3 | 165.7 | -173 | 0 | 0 | 0 | 0 | 108.1 | Q134 S152 W162 N163 W164 W308 | Q134-V150 HydrophobicContact CB-CG1 4.14Å; Q134-V150 HydrophobicContact CG-CG1 4.02Å; V150-S152 PolarHBondContact O-N 2.97Å; V150-W162 HydrophobicContact CG2-CB 3.77Å; V150-W162 HydrophobicContact CG2-CD2 4.39Å; V150-W162 HydrophobicContact CG2-CE3 3.75Å; V150-W162 HydrophobicContact CG2-CG 4.47Å; V150-N163 WeakPolarHBondContact CB-O 3.45Å; V150-N163 WeakPolarHBondContact CG2-O 3.04Å; V150-N163 PolarHBondContact N-O 2.86Å; V150-W164 HydrophobicContact CB-CD2 4.23Å; V150-W164 HydrophobicContact CB-CE3 4.07Å; V150-W164 HydrophobicContact CB-CZ3 4.37Å; V150-W164 HydrophobicContact CG1-CD2 4.21Å; V150-W164 HydrophobicContact CG1-CE3 3.7Å; V150-W164 HydrophobicContact CG1-CH2 3.82Å; V150-W164 HydrophobicContact CG1-CZ2 4.27Å; V150-W164 HydrophobicContact CG1-CZ3 3.5Å; V150-W164 HydrophobicContact CG2-CD2 4.16Å; V150-W164 HydrophobicContact CG2-CE3 4.46Å; V150-W164 HydrophobicContact CG2-CZ2 4.44Å; V150-W308 HydrophobicContact CG2-CH2 4.05Å; V150-W308 HydrophobicContact CG2-CZ3 3.62Å |
| 151 | L | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -82.1 | 53.2 | -175.8 | -62.2 | 177.5 | 0 | 0 | 0 | 111.8 | F135 V137 Y184 L186 L193 W218 | F135-L151 HydrophobicContact CB-CD1 4.35Å; F135-L151 WeakPolarHBondContact O-CB 3.39Å; F135-L151 PolarHBondContact O-N 2.95Å; V137-L151 HydrophobicContact CB-CD1 4.5Å; V137-L151 HydrophobicContact CG1-CD2 3.9Å; V137-L151 HydrophobicContact CG1-CG 4.4Å; L151-Y184 HydrophobicContact CB-CD1 4.41Å; L151-Y184 HydrophobicContact CB-CE1 3.85Å; L151-Y184 HydrophobicContact CB-CE2 4.24Å; L151-Y184 HydrophobicContact CD1-CD2 4.43Å; L151-Y184 HydrophobicContact CD1-CE2 4.34Å; L151-Y184 HydrophobicContact CD2-CD1 4.05Å; L151-Y184 HydrophobicContact CD2-CE1 4.35Å; L151-Y184 HydrophobicContact CD2-CG 4.15Å; L151-Y184 PolarHBondContact O-OH 3.01Å; L151-L186 HydrophobicContact CD2-CD2 4.35Å; L151-L193 HydrophobicContact CD1-CD1 3.95Å; L151-L193 HydrophobicContact CD2-CD1 4.19Å; L151-W218 HydrophobicContact CD1-CH2 3.24Å; L151-W218 HydrophobicContact CD1-CZ2 4.17Å; L151-W218 HydrophobicContact CD1-CZ3 3.48Å; L151-W218 VanDerWaalsContact CD1-CZ3 3.48Å |
| 152 | S | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -141 | 141.5 | -178 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | V150 E154 G165 Y166 | V150-S152 PolarHBondContact O-N 2.97Å; S152-E154 WeakPolarHBondContact OG-CB 3.3Å; S152-E154 PolarHBondContact OG-N 2.99Å; S152-G165 PolarHBondContact O-N 3.49Å; S152-Y166 WeakPolarHBondContact O-CB 3Å; S152-Y166 PolarHBondContact O-N 2.99Å | ||
| 153 | V | 96.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -77.4 | -12.4 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | L35 R112 Y166 | L35-V153 HydrophobicContact CB-CG1 4.22Å; L35-V153 HydrophobicContact CD2-CG1 4.29Å; R112-V153 HydrophobicContact CB-CG2 4.17Å; R112-V153 HydrophobicContact CG-CG2 4.14Å; V153-Y166 WeakPolarHBondContact CG1-O 3.3Å |
| 154 | E | 94.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | trans | -70 | 156.1 | -176.9 | -70.4 | -61.8 | 135.3 | 0 | 0 | 112.4 | E114 S152 W164 G165 | E114-E154 HydrophobicContact CG-CG 4.32Å; S152-E154 WeakPolarHBondContact OG-CB 3.3Å; S152-E154 PolarHBondContact OG-N 2.99Å; E154-W164 WeakPolarHBondContact O-CB 3.24Å; E154-G165 PolarHBondContact O-N 2.96Å | ||
| 155 | R | 94.8 | Very high | 95.8 | Very high | 202 Ų | 202 | 43.2 Ų | 43.2 | 76% | 0.762 | 23% | 0.227 | S | C | * | . | trans | -131.3 | 79.3 | 171.1 | -65.8 | -176.1 | -176.9 | -166.6 | -1.7 | 108.7 | ||||
| 156 | P | 93.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | trans | -67.4 | 168.5 | -174.7 | 28.6 | -34.9 | 0 | 0 | 0 | 111.7 | I131 T158 Q160 W164 | I131-P156 HydrophobicContact CG1-CB 4.44Å; I131-P156 HydrophobicContact CG2-CB 3.4Å; I131-P156 HydrophobicContact CG2-CG 3.6Å; P156-T158 WeakPolarHBondContact CG-O 3.48Å; P156-Q160 PolarHBondContact O-NE2 3.48Å; P156-W164 VanDerWaalsContact CD-CD2 3.47Å; P156-W164 HydrophobicContact CG-CD2 3.77Å; P156-W164 HydrophobicContact CG-CE3 4.12Å; P156-W164 HydrophobicContact CG-CG 4.26Å; P156-W164 HydrophobicContact CG-CH2 4.08Å; P156-W164 HydrophobicContact CG-CZ2 3.77Å; P156-W164 HydrophobicContact CG-CZ3 4.25Å | ||
| 157 | P | 89.3 | Confident | 95.8 | Very high | 121 Ų | 121 | 41.8 Ų | 41.8 | 79% | 0.786 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -86.5 | -12.6 | 172 | 32.8 | -35 | 0 | 0 | 0 | 113.7 | ||
| 158 | T | 89.5 | Confident | 95.7 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -104.5 | 172.4 | 172.4 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | P156 Q160 | P156-T158 WeakPolarHBondContact CG-O 3.48Å; T158-Q160 PolarHBondContact O-N 2.83Å; T158-Q160 PolarHBondContact O-NE2 2.92Å |
| 159 | L | 93.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | 58.9 | 30.6 | 178.6 | -50.1 | 173.4 | 0 | 0 | 0 | 113.1 | I131 A132 G161 W162 W164 G302 T303 C304 | I131-L159 HydrophobicContact CG2-CD1 4.25Å; A132-L159 HydrophobicContact CB-CD1 3.83Å; L159-G161 PolarHBondContact O-N 3Å; L159-G161 VanDerWaalsContact O-N 3.13Å; L159-W162 HydrophobicContact CB-CD2 4.12Å; L159-W162 HydrophobicContact CB-CE3 4.35Å; L159-W162 HydrophobicContact CB-CG 4.38Å; L159-W162 HydrophobicContact CD1-CE3 4.3Å; L159-W162 HydrophobicContact CD1-CH2 4.11Å; L159-W162 HydrophobicContact CD1-CZ3 4Å; L159-W162 HydrophobicContact CD2-CH2 4.38Å; L159-W162 HydrophobicContact CD2-CZ2 4.03Å; L159-W162 WeakPolarHBondContact O-CB 3.42Å; L159-W162 PolarHBondContact O-N 3.42Å; L159-W164 HydrophobicContact CB-CZ2 3.94Å; L159-W164 HydrophobicContact CD1-CH2 4.44Å; L159-W164 HydrophobicContact CD1-CZ2 3.77Å; L159-W164 HydrophobicContact CG-CZ2 4.49Å; L159-W164 PolarHBondContact O-NE1 2.82Å; L159-G302 PolarHBondContact N-O 2.98Å; L159-T303 CarbonylContact C-O 3.44Å; L159-T303 VanDerWaalsContact C-O 3.32Å; L159-T303 WeakPolarHBondContact CA-O 3.22Å; L159-C304 HydrophobicContact CD2-CB 3.62Å; L159-C304 WeakPolarHBondContact CD2-SG 3.38Å | ||
| 160 | Q | 94.5 | Very high | 95.6 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11.6 | -176.1 | -63.1 | -56.1 | -83.9 | 0 | 0 | 114.5 | P156 T158 W162 T303 | P156-Q160 PolarHBondContact O-NE2 3.48Å; T158-Q160 PolarHBondContact O-N 2.83Å; T158-Q160 PolarHBondContact O-NE2 2.92Å; Q160-W162 PolarHBondContact O-N 3.13Å; Q160-T303 HydrophobicContact CB-CG2 4.46Å |
| 161 | G | 95.5 | Very high | 95.6 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | L159 T303 W308 | L159-G161 PolarHBondContact O-N 3Å; L159-G161 VanDerWaalsContact O-N 3.13Å; G161-T303 WeakPolarHBondContact CA-O 3.46Å; G161-T303 PolarHBondContact N-O 3.42Å; G161-W308 VanDerWaalsContact O-CD1 3.22Å |
| 162 | W | 97.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -96.5 | 153 | -177.2 | -55.1 | 5.1 | 0 | 0 | 0 | 111 | V150 L159 Q160 W164 T235 F298 C304 L307 W308 | V150-W162 HydrophobicContact CG2-CB 3.77Å; V150-W162 HydrophobicContact CG2-CD2 4.39Å; V150-W162 HydrophobicContact CG2-CE3 3.75Å; V150-W162 HydrophobicContact CG2-CG 4.47Å; L159-W162 HydrophobicContact CB-CD2 4.12Å; L159-W162 HydrophobicContact CB-CE3 4.35Å; L159-W162 HydrophobicContact CB-CG 4.38Å; L159-W162 HydrophobicContact CD1-CE3 4.3Å; L159-W162 HydrophobicContact CD1-CH2 4.11Å; L159-W162 HydrophobicContact CD1-CZ3 4Å; L159-W162 HydrophobicContact CD2-CH2 4.38Å; L159-W162 HydrophobicContact CD2-CZ2 4.03Å; L159-W162 WeakPolarHBondContact O-CB 3.42Å; L159-W162 PolarHBondContact O-N 3.42Å; Q160-W162 PolarHBondContact O-N 3.13Å; W162-W164 HydrophobicContact CD2-CZ2 4.47Å; W162-W164 HydrophobicContact CE3-CH2 4.42Å; W162-W164 AromaticContact CE3-CZ2 3.61Å; W162-W164 HydrophobicContact CE3-CZ2 3.61Å; W162-W164 HydrophobicContact CZ3-CZ2 4.09Å; W162-W164 VanDerWaalsContact O-CD1 3.24Å; W162-W164 PolarHBondContact O-N 3.39Å; W162-T235 HydrophobicContact CH2-CG2 3.97Å; W162-F298 HydrophobicContact CZ2-CE2 4.47Å; W162-C304 HydrophobicContact CZ2-CB 4.35Å; W162-C304 PolarHBondContact NE1-O 2.93Å; W162-C304 VanDerWaalsContact NE1-O 3.08Å; W162-L307 HydrophobicContact CZ2-CD2 4.02Å; W162-W308 HydrophobicContact CB-CD2 3.93Å; W162-W308 HydrophobicContact CB-CE3 3.44Å; W162-W308 VanDerWaalsContact CB-CE3 3.44Å; W162-W308 HydrophobicContact CB-CH2 4.31Å; W162-W308 HydrophobicContact CB-CZ3 3.64Å; W162-W308 AromaticContact CD1-CD2 3.95Å; W162-W308 AromaticContact CD1-CE3 3.67Å; W162-W308 AromaticContact CD1-CG 3.94Å; W162-W308 HydrophobicContact CD2-CE3 4.02Å; W162-W308 HydrophobicContact CD2-CZ3 4.46Å; W162-W308 HydrophobicContact CG-CB 4.45Å; W162-W308 HydrophobicContact CG-CD2 4.03Å; W162-W308 AromaticContact CG-CE3 3.42Å; W162-W308 HydrophobicContact CG-CE3 3.42Å; W162-W308 VanDerWaalsContact CG-CE3 3.42Å; W162-W308 HydrophobicContact CG-CG 4.48Å; W162-W308 HydrophobicContact CG-CZ3 4Å |
| 163 | N | 97.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 39% | 0.39 | 24% | 0.24 | S | C | . | . | trans | -83.6 | 99.5 | 175.5 | -175 | 28.5 | 0 | 0 | 0 | 110.6 | Q148 Q149 V150 W308 | Q148-N163 PolarHBondContact O-ND2 3.49Å; Q149-N163 PolarHBondContact NE2-O 3.34Å; Q149-N163 PolarHBondContact OE1-ND2 3.16Å; V150-N163 WeakPolarHBondContact CB-O 3.45Å; V150-N163 WeakPolarHBondContact CG2-O 3.04Å; V150-N163 PolarHBondContact N-O 2.86Å; N163-W308 HydrophobicContact CB-CH2 3.71Å; N163-W308 HydrophobicContact CB-CZ2 3.41Å; N163-W308 VanDerWaalsContact CB-CZ2 3.41Å; N163-W308 VanDerWaalsContact N-CH2 3.29Å | ||
| 164 | W | 97.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | trans | -99 | 177.1 | -177 | -74.5 | 100.8 | 0 | 0 | 0 | 113.2 | I131 Q134 V150 E154 P156 L159 W162 | I131-W164 HydrophobicContact CG2-CH2 4.08Å; I131-W164 HydrophobicContact CG2-CZ2 4.42Å; Q134-W164 HydrophobicContact CG-CH2 3.58Å; Q134-W164 HydrophobicContact CG-CZ3 4.09Å; V150-W164 HydrophobicContact CB-CD2 4.23Å; V150-W164 HydrophobicContact CB-CE3 4.07Å; V150-W164 HydrophobicContact CB-CZ3 4.37Å; V150-W164 HydrophobicContact CG1-CD2 4.21Å; V150-W164 HydrophobicContact CG1-CE3 3.7Å; V150-W164 HydrophobicContact CG1-CH2 3.82Å; V150-W164 HydrophobicContact CG1-CZ2 4.27Å; V150-W164 HydrophobicContact CG1-CZ3 3.5Å; V150-W164 HydrophobicContact CG2-CD2 4.16Å; V150-W164 HydrophobicContact CG2-CE3 4.46Å; V150-W164 HydrophobicContact CG2-CZ2 4.44Å; E154-W164 WeakPolarHBondContact O-CB 3.24Å; P156-W164 VanDerWaalsContact CD-CD2 3.47Å; P156-W164 HydrophobicContact CG-CD2 3.77Å; P156-W164 HydrophobicContact CG-CE3 4.12Å; P156-W164 HydrophobicContact CG-CG 4.26Å; P156-W164 HydrophobicContact CG-CH2 4.08Å; P156-W164 HydrophobicContact CG-CZ2 3.77Å; P156-W164 HydrophobicContact CG-CZ3 4.25Å; L159-W164 HydrophobicContact CB-CZ2 3.94Å; L159-W164 HydrophobicContact CD1-CH2 4.44Å; L159-W164 HydrophobicContact CD1-CZ2 3.77Å; L159-W164 HydrophobicContact CG-CZ2 4.49Å; L159-W164 PolarHBondContact O-NE1 2.82Å; W162-W164 HydrophobicContact CD2-CZ2 4.47Å; W162-W164 HydrophobicContact CE3-CH2 4.42Å; W162-W164 AromaticContact CE3-CZ2 3.61Å; W162-W164 HydrophobicContact CE3-CZ2 3.61Å; W162-W164 HydrophobicContact CZ3-CZ2 4.09Å; W162-W164 VanDerWaalsContact O-CD1 3.24Å; W162-W164 PolarHBondContact O-N 3.39Å | ||
| 165 | G | 95.6 | Very high | 96 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | trans | 74.5 | 43.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S152 E154 C167 | S152-G165 PolarHBondContact O-N 3.49Å; E154-G165 PolarHBondContact O-N 2.96Å; G165-C167 PolarHBondContact O-N 3.19Å | ||
| 166 | Y | 97.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | trans | -51.1 | 138.1 | 171.1 | -177.6 | -91.3 | 0 | 0 | 0 | 110.3 | Q149 S152 V153 G168 Y170 A171 Y184 Q185 L186 | Q149-Y166 HydrophobicContact CG-CD2 3.84Å; S152-Y166 WeakPolarHBondContact O-CB 3Å; S152-Y166 PolarHBondContact O-N 2.99Å; V153-Y166 WeakPolarHBondContact CG1-O 3.3Å; Y166-G168 PolarHBondContact O-N 3.13Å; Y166-G168 VanDerWaalsContact O-N 3.11Å; Y166-Y170 PolarHBondContact OH-O 3.25Å; Y166-A171 HydrophobicContact CD1-CB 4.43Å; Y166-A171 HydrophobicContact CE1-CB 3.68Å; Y166-Y184 HydrophobicContact CD1-CD1 4.02Å; Y166-Y184 HydrophobicContact CD1-CE1 4.37Å; Y166-Y184 AromaticContact CE1-CD1 3.69Å; Y166-Y184 HydrophobicContact CE1-CD1 3.69Å; Y166-Y184 HydrophobicContact CE1-CE1 4.44Å; Y166-Y184 HydrophobicContact CE2-CD1 4.39Å; Y166-Y184 AromaticContact CZ-CD1 3.86Å; Y166-Q185 PolarHBondContact OH-N 2.95Å; Y166-Q185 PolarHBondContact OH-O 3.21Å; Y166-L186 HydrophobicContact CE2-CD2 3.95Å | ||
| 167 | C | 96.6 | Very high | 96.4 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 42% | 0.419 | 18% | 0.178 | S | C | . | . | trans | -74.2 | 106.3 | -178.9 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | G165 E169 Y170 | G165-C167 PolarHBondContact O-N 3.19Å; C167-E169 PolarHBondContact O-N 2.8Å; C167-Y170 HydrophobicContact CB-CD2 3.97Å; C167-Y170 PolarHBondContact O-N 3.13Å | ||
| 168 | G | 96.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 26 Ų | 26 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -61.3 | -13.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C34 L35 A36 Y166 Y170 A171 | C34-G168 PolarHBondContact SG-O 3.45Å; C34-G168 VanDerWaalsContact SG-O 3.35Å; L35-G168 WeakPolarHBondContact CB-O 3.43Å; L35-G168 PolarHBondContact N-O 2.98Å; A36-G168 PolarHBondContact N-O 2.97Å; Y166-G168 PolarHBondContact O-N 3.13Å; Y166-G168 VanDerWaalsContact O-N 3.11Å; G168-Y170 PolarHBondContact O-N 3.43Å; G168-A171 PolarHBondContact O-N 2.61Å |
| 169 | E | 97.1 | Very high | 97.2 | Very high | 71 Ų | 71 | 23.7 Ų | 23.7 | 33% | 0.332 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -70.8 | -19.8 | 174.9 | -63.1 | -173.3 | 175 | 0 | 0 | 112.2 | R16 Y17 A18 A36 C167 | R16-E169 IonicContact CZ-OE1 2.76Å; R16-E169 IonicContact NE-OE1 3.37Å; R16-E169 IonicContact NH2-OE1 3.03Å; R16-E169 PolarHBondContact NH2-OE1 3.05Å; R16-E169 WeakPolarHBondContact O-CB 3.31Å; Y17-E169 CarbonylContact C-O 3.58Å; Y17-E169 WeakPolarHBondContact CA-O 3.45Å; Y17-E169 VanDerWaalsContact CD2-O 3.28Å; Y17-E169 WeakPolarHBondContact CD2-O 3.41Å; A18-E169 PolarHBondContact N-O 3.1Å; A36-E169 HydrophobicContact CB-CG 3.63Å; C167-E169 PolarHBondContact O-N 2.8Å |
| 170 | Y | 97.1 | Very high | 97.5 | Very high | 81 Ų | 81 | 23.7 Ų | 23.7 | 32% | 0.318 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -100.5 | 20.8 | 175.1 | -63 | -87.3 | 0 | 0 | 0 | 112.6 | A18 Y166 C167 G168 Q185 P187 | A18-Y170 HydrophobicContact CB-CD1 4.09Å; A18-Y170 HydrophobicContact CB-CE1 3.86Å; Y166-Y170 PolarHBondContact OH-O 3.25Å; C167-Y170 HydrophobicContact CB-CD2 3.97Å; C167-Y170 PolarHBondContact O-N 3.13Å; G168-Y170 PolarHBondContact O-N 3.43Å; Y170-Q185 PolarHBondContact O-N 3.17Å; Y170-P187 HydrophobicContact CD1-CG 3.9Å; Y170-P187 HydrophobicContact CD2-CG 3.77Å; Y170-P187 HydrophobicContact CE1-CG 4.25Å; Y170-P187 HydrophobicContact CE2-CG 4.14Å; Y170-P187 HydrophobicContact CG-CG 3.63Å |
| 171 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L35 Y166 G168 V183 Y184 | L35-A171 HydrophobicContact CB-CB 4.09Å; L35-A171 HydrophobicContact CD1-CB 4.09Å; L35-A171 HydrophobicContact CD2-CB 3.79Å; L35-A171 HydrophobicContact CG-CB 4.19Å; L35-A171 PolarHBondContact N-O 3.35Å; Y166-A171 HydrophobicContact CD1-CB 4.43Å; Y166-A171 HydrophobicContact CE1-CB 3.68Å; G168-A171 PolarHBondContact O-N 2.61Å; A171-V183 CarbonylContact C-O 3.35Å; A171-V183 WeakPolarHBondContact CA-O 3.49Å; A171-V183 WeakPolarHBondContact CB-O 3.37Å; A171-Y184 HydrophobicContact CB-CD1 3.76Å; A171-Y184 HydrophobicContact CB-CE1 4.22Å; A171-Y184 HydrophobicContact CB-CG 4.32Å |
| 172 | F | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 157.7 | 168.1 | 71.8 | -94.6 | 0 | 0 | 0 | 111.4 | M14 Y17 E21 M22 V26 R32 I33 L35 H174 T182 V183 | M14-F172 HydrophobicContact CE-CB 3.67Å; M14-F172 HydrophobicContact CE-CD1 3.83Å; M14-F172 HydrophobicContact CE-CD2 4.42Å; M14-F172 HydrophobicContact CE-CG 3.72Å; M14-F172 HydrophobicContact SD-CB 3.88Å; M14-F172 HydrophobicContact SD-CG 4.36Å; Y17-F172 HydrophobicContact CD1-CD1 4.1Å; Y17-F172 HydrophobicContact CD2-CB 4.39Å; Y17-F172 HydrophobicContact CD2-CD1 4.18Å; Y17-F172 AromaticContact CE1-CD1 3.56Å; Y17-F172 HydrophobicContact CE1-CD1 3.56Å; Y17-F172 AromaticContact CE1-CE1 3.8Å; Y17-F172 HydrophobicContact CE1-CE1 3.8Å; Y17-F172 AromaticContact CE2-CD1 3.69Å; Y17-F172 HydrophobicContact CE2-CD1 3.69Å; Y17-F172 HydrophobicContact CE2-CE1 4.48Å; Y17-F172 HydrophobicContact CG-CD1 4.37Å; Y17-F172 AromaticContact CZ-CD1 3.33Å; Y17-F172 AromaticContact CZ-CE1 3.71Å; E21-F172 WeakPolarHBondContact O-CE1 3.5Å; M22-F172 WeakPolarHBondContact O-CZ 3.34Å; V26-F172 HydrophobicContact CG1-CE2 4.27Å; R32-F172 HydrophobicContact CG-CD2 3.6Å; R32-F172 HydrophobicContact CG-CE2 4.07Å; R32-F172 HydrophobicContact CG-CG 4.31Å; I33-F172 CarbonylContact O-C 3.6Å; I33-F172 VanDerWaalsContact O-CA 3.3Å; I33-F172 WeakPolarHBondContact O-CA 3.43Å; I33-F172 WeakPolarHBondContact O-CB 3.47Å; L35-F172 VanDerWaalsContact CD1-CA 3.45Å; F172-H174 HydrophobicContact CD2-CB 4.29Å; F172-H174 HydrophobicContact CE2-CB 4.07Å; F172-T182 WeakPolarHBondContact O-CA 3.35Å; F172-V183 HydrophobicContact CD1-CB 4.04Å; F172-V183 HydrophobicContact CE1-CB 3.63Å; F172-V183 HydrophobicContact CE1-CG1 3.92Å; F172-V183 HydrophobicContact CE1-CG2 3.89Å; F172-V183 HydrophobicContact CE2-CB 4.26Å; F172-V183 HydrophobicContact CE2-CG2 3.85Å; F172-V183 HydrophobicContact CZ-CB 3.76Å; F172-V183 HydrophobicContact CZ-CG1 4.32Å; F172-V183 HydrophobicContact CZ-CG2 3.46Å; F172-V183 VanDerWaalsContact CZ-CG2 3.46Å; F172-V183 PolarHBondContact N-O 2.78Å; F172-V183 VanDerWaalsContact N-O 3.1Å; F172-V183 PolarHBondContact O-N 3.34Å |
| 173 | Y | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 143.9 | 171.7 | 178.8 | -100.1 | 0 | 0 | 0 | 109.6 | W31 R32 I33 A97 W111 A175 A180 W181 F809 | W31-Y173 HydrophobicContact CE3-CD1 4.14Å; W31-Y173 HydrophobicContact CE3-CE1 4.03Å; W31-Y173 AromaticContact CZ3-CD1 3.93Å; W31-Y173 HydrophobicContact CZ3-CD1 3.93Å; W31-Y173 AromaticContact CZ3-CE1 3.87Å; W31-Y173 HydrophobicContact CZ3-CE1 3.87Å; R32-Y173 WeakPolarHBondContact CA-O 3.41Å; R32-Y173 WeakPolarHBondContact CG-O 3.23Å; I33-Y173 HydrophobicContact CG2-CD1 4.12Å; I33-Y173 PolarHBondContact N-O 3.39Å; I33-Y173 PolarHBondContact O-N 2.88Å; A97-Y173 WeakPolarHBondContact CB-OH 3.27Å; A97-Y173 PolarHBondContact N-OH 3.31Å; W111-Y173 HydrophobicContact CB-CD1 3.42Å; W111-Y173 VanDerWaalsContact CB-CD1 3.42Å; W111-Y173 HydrophobicContact CB-CD2 4.17Å; W111-Y173 HydrophobicContact CB-CE1 3.87Å; W111-Y173 HydrophobicContact CB-CG 3.58Å; W111-Y173 VanDerWaalsContact O-CB 3.28Å; W111-Y173 WeakPolarHBondContact O-CB 3.39Å; Y173-A175 HydrophobicContact CE1-CB 3.6Å; Y173-A180 HydrophobicContact CE2-CB 3.72Å; Y173-A180 WeakPolarHBondContact OH-CB 3.03Å; Y173-W181 CarbonylContact C-O 3.6Å; Y173-W181 WeakPolarHBondContact CA-O 3.32Å; Y173-W181 WeakPolarHBondContact CD2-O 3.5Å; Y173-F809 HydrophobicContact CE1-CE2 4.48Å |
| 174 | H | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.5 | 176.2 | -171.7 | 76.5 | 0 | 0 | 0 | 109.8 | V26 P27 E29 W31 R32 F172 A180 W181 | V26-H174 HydrophobicContact CG1-CB 4Å; P27-H174 PolarHBondContact O-NE2 2.76Å; E29-H174 PolarHBondContact O-CE1 3.16Å; E29-H174 PolarHBondContact O-NE2 2.94Å; W31-H174 CarbonylContact O-C 3.6Å; W31-H174 VanDerWaalsContact O-CA 3.24Å; W31-H174 WeakPolarHBondContact O-CA 3.45Å; R32-H174 HydrophobicContact CG-CB 4.34Å; R32-H174 PolarHBondContact NE-ND1 2.72Å; F172-H174 HydrophobicContact CD2-CB 4.29Å; F172-H174 HydrophobicContact CE2-CB 4.07Å; H174-A180 CarbonylContact O-C 3.6Å; H174-A180 VanDerWaalsContact O-CA 3.24Å; H174-A180 WeakPolarHBondContact O-CA 3.24Å; H174-A180 WeakPolarHBondContact O-CB 3.25Å; H174-W181 HydrophobicContact CB-CB 4.33Å; H174-W181 AromaticContact CD2-CE3 3.72Å; H174-W181 PolarHBondContact N-O 2.8Å; H174-W181 PolarHBondContact O-N 3.28Å |
| 175 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G30 W31 Y173 A180 N427 F809 | G30-A175 WeakPolarHBondContact CA-O 3.22Å; W31-A175 HydrophobicContact CE3-CB 4.45Å; W31-A175 PolarHBondContact N-O 3.47Å; W31-A175 PolarHBondContact O-N 2.82Å; Y173-A175 HydrophobicContact CE1-CB 3.6Å; A175-A180 HydrophobicContact CB-CB 4.15Å; A175-N427 PolarHBondContact O-ND2 3.11Å; A175-N427 PolarHBondContact O-OD1 3.29Å; A175-F809 HydrophobicContact CB-CE2 3.98Å; A175-F809 HydrophobicContact CB-CZ 3.57Å |
| 176 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 80.2 | 170 | -169.7 | 68.9 | 0 | 0 | 0 | 106.7 | P27 R179 W181 L412 F426 N427 | P27-L176 HydrophobicContact CB-CD2 4.32Å; P27-L176 HydrophobicContact CG-CB 4.48Å; P27-L176 HydrophobicContact CG-CD2 4.07Å; L176-R179 CarbonylContact C-O 3.55Å; L176-R179 PolarHBondContact N-O 3.37Å; L176-R179 PolarHBondContact O-N 3.13Å; L176-W181 HydrophobicContact CB-CH2 4.45Å; L176-W181 HydrophobicContact CB-CZ3 3.96Å; L176-L412 HydrophobicContact CD1-CD2 4.44Å; L176-L412 HydrophobicContact CD2-CD1 3.86Å; L176-L412 HydrophobicContact CD2-CD2 4.2Å; L176-F426 HydrophobicContact CD1-CB 3.9Å; L176-F426 HydrophobicContact CD1-CD2 3.72Å; L176-F426 HydrophobicContact CD1-CG 4.15Å; L176-F426 HydrophobicContact CG-CB 4.49Å; L176-F426 HydrophobicContact CG-CD2 4.48Å; L176-N427 WeakPolarHBondContact CA-OD1 3.45Å; L176-N427 PolarHBondContact N-OD1 3.27Å |
| 177 | Y | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 133.9 | -172.6 | -175.6 | -92.7 | 0 | 0 | 0 | 111 | A97 P98 V201 Q408 N427 L429 A433 | A97-Y177 HydrophobicContact CB-CD2 4.22Å; P98-Y177 HydrophobicContact CG-CD2 4.43Å; P98-Y177 HydrophobicContact CG-CE2 3.82Å; Y177-V201 HydrophobicContact CE1-CB 4.38Å; Y177-V201 HydrophobicContact CE1-CG1 4.09Å; Y177-V201 WeakPolarHBondContact OH-CG2 3.28Å; Y177-Q408 PolarHBondContact O-NE2 3.49Å; Y177-N427 PolarHBondContact N-OD1 2.91Å; Y177-L429 HydrophobicContact CD1-CB 3.78Å; Y177-L429 HydrophobicContact CE1-CB 4.08Å; Y177-A433 VanDerWaalsContact OH-CB 3.28Å; Y177-A433 WeakPolarHBondContact OH-CB 3.19Å |
| 178 | P | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91 | 15.5 | 16.3 | 40.6 | -43 | 0 | 0 | 0 | 116 | S199 V201 I404 | P178-S199 PolarHBondContact O-N 2.82Å; P178-V201 HydrophobicContact CB-CB 3.89Å; P178-V201 HydrophobicContact CG-CB 4.46Å; P178-V201 WeakPolarHBondContact CG-O 3.36Å; P178-I404 HydrophobicContact CG-CD1 3.64Å; P178-I404 HydrophobicContact CG-CG1 3.87Å; P178-I404 HydrophobicContact CG-CG2 4.01Å |
| 179 | R | 98.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 18.1 Ų | 18.1 | 4% | 0.038 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 152.3 | 178 | -64.2 | 177.4 | -65.2 | 170.5 | -3.4 | 111.5 | L176 W181 Q197 I198 I404 E405 Q408 | L176-R179 CarbonylContact C-O 3.55Å; L176-R179 PolarHBondContact N-O 3.37Å; L176-R179 PolarHBondContact O-N 3.13Å; R179-W181 HydrophobicContact CB-CH2 3.42Å; R179-W181 VanDerWaalsContact CB-CH2 3.42Å; R179-W181 HydrophobicContact CB-CZ2 3.97Å; R179-W181 HydrophobicContact CB-CZ3 3.81Å; R179-W181 HydrophobicContact CG-CH2 4.42Å; R179-Q197 WeakPolarHBondContact CA-O 3.49Å; R179-I198 HydrophobicContact CG-CG1 4.33Å; R179-I198 HydrophobicContact CG-CG2 4.38Å; R179-I404 HydrophobicContact CG-CD1 4.38Å; R179-I404 HydrophobicContact CG-CG2 4.46Å; R179-E405 IonicContact CZ-OE1 2.7Å; R179-E405 VanDerWaalsContact NH1-CG 3.34Å; R179-E405 IonicContact NH1-OE1 2.82Å; R179-E405 PolarHBondContact NH1-OE1 2.59Å; R179-E405 VanDerWaalsContact NH2-CG 3.34Å; R179-Q408 VanDerWaalsContact NH2-OE1 3.11Å |
| 180 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 162.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A97 Y173 H174 A175 Q197 | A97-A180 HydrophobicContact CB-CB 4Å; Y173-A180 HydrophobicContact CE2-CB 3.72Å; Y173-A180 WeakPolarHBondContact OH-CB 3.03Å; H174-A180 CarbonylContact O-C 3.6Å; H174-A180 VanDerWaalsContact O-CA 3.24Å; H174-A180 WeakPolarHBondContact O-CA 3.24Å; H174-A180 WeakPolarHBondContact O-CB 3.25Å; A175-A180 HydrophobicContact CB-CB 4.15Å; A180-Q197 HydrophobicContact CB-CG 3.61Å; A180-Q197 PolarHBondContact N-O 3.34Å; A180-Q197 VanDerWaalsContact N-O 3.1Å; A180-Q197 VanDerWaalsContact O-CG 3.25Å; A180-Q197 WeakPolarHBondContact O-CG 3.41Å; A180-Q197 PolarHBondContact O-N 3.19Å |
| 181 | W | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.2 | -177 | -60.7 | -110.2 | 0 | 0 | 0 | 109.5 | G25 V26 P27 Y173 H174 L176 R179 C195 R196 | G25-W181 PolarHBondContact O-NE1 2.8Å; V26-W181 HydrophobicContact CG1-CG 4.46Å; V26-W181 HydrophobicContact CG2-CB 3.98Å; V26-W181 HydrophobicContact CG2-CG 3.91Å; P27-W181 VanDerWaalsContact CD-CZ2 3.46Å; P27-W181 HydrophobicContact CG-CE3 4.23Å; P27-W181 HydrophobicContact CG-CH2 3.51Å; P27-W181 HydrophobicContact CG-CZ2 3.99Å; P27-W181 HydrophobicContact CG-CZ3 3.64Å; Y173-W181 CarbonylContact C-O 3.6Å; Y173-W181 WeakPolarHBondContact CA-O 3.32Å; Y173-W181 WeakPolarHBondContact CD2-O 3.5Å; H174-W181 HydrophobicContact CB-CB 4.33Å; H174-W181 AromaticContact CD2-CE3 3.72Å; H174-W181 PolarHBondContact N-O 2.8Å; H174-W181 PolarHBondContact O-N 3.28Å; L176-W181 HydrophobicContact CB-CH2 4.45Å; L176-W181 HydrophobicContact CB-CZ3 3.96Å; R179-W181 HydrophobicContact CB-CH2 3.42Å; R179-W181 VanDerWaalsContact CB-CH2 3.42Å; R179-W181 HydrophobicContact CB-CZ2 3.97Å; R179-W181 HydrophobicContact CB-CZ3 3.81Å; R179-W181 HydrophobicContact CG-CH2 4.42Å; W181-C195 CarbonylContact C-O 3.51Å; W181-C195 WeakPolarHBondContact CA-O 3.25Å; W181-R196 VanDerWaalsContact CD1-CG 3.45Å; W181-R196 HydrophobicContact CG-CG 4.47Å |
| 182 | T | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.7 | 162.8 | -42.1 | 0 | 0 | 0 | 0 | 108.8 | L35 F172 Y184 C195 | L35-T182 HydrophobicContact CD1-CG2 4.19Å; L35-T182 HydrophobicContact CD2-CG2 4.32Å; F172-T182 WeakPolarHBondContact O-CA 3.35Å; T182-Y184 HydrophobicContact CG2-CD2 4.14Å; T182-Y184 HydrophobicContact CG2-CE1 4.24Å; T182-Y184 HydrophobicContact CG2-CE2 3.36Å; T182-Y184 VanDerWaalsContact CG2-CZ 3.42Å; T182-Y184 WeakPolarHBondContact CG2-OH 3.39Å; T182-C195 PolarHBondContact N-O 3.05Å; T182-C195 PolarHBondContact O-N 2.94Å |
| 183 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.9 | -179.1 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | V26 A171 F172 T192 L193 T194 | V26-V183 HydrophobicContact CG2-CG2 3.82Å; A171-V183 CarbonylContact C-O 3.35Å; A171-V183 WeakPolarHBondContact CA-O 3.49Å; A171-V183 WeakPolarHBondContact CB-O 3.37Å; F172-V183 HydrophobicContact CD1-CB 4.04Å; F172-V183 HydrophobicContact CE1-CB 3.63Å; F172-V183 HydrophobicContact CE1-CG1 3.92Å; F172-V183 HydrophobicContact CE1-CG2 3.89Å; F172-V183 HydrophobicContact CE2-CB 4.26Å; F172-V183 HydrophobicContact CE2-CG2 3.85Å; F172-V183 HydrophobicContact CZ-CB 3.76Å; F172-V183 HydrophobicContact CZ-CG1 4.32Å; F172-V183 HydrophobicContact CZ-CG2 3.46Å; F172-V183 VanDerWaalsContact CZ-CG2 3.46Å; F172-V183 PolarHBondContact N-O 2.78Å; F172-V183 VanDerWaalsContact N-O 3.1Å; F172-V183 PolarHBondContact O-N 3.34Å; V183-T192 HydrophobicContact CG1-CG2 3.89Å; V183-L193 CarbonylContact C-O 3.55Å; V183-L193 WeakPolarHBondContact CA-O 3.35Å; V183-T194 HydrophobicContact CG2-CG2 4.01Å |
| 184 | Y | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.6 | 176.7 | -57.5 | -96.5 | 0 | 0 | 0 | 109.3 | L35 L151 Y166 A171 T182 T192 L193 W218 | L35-Y184 HydrophobicContact CD2-CE1 4.09Å; L151-Y184 HydrophobicContact CB-CD1 4.41Å; L151-Y184 HydrophobicContact CB-CE1 3.85Å; L151-Y184 HydrophobicContact CB-CE2 4.24Å; L151-Y184 HydrophobicContact CD1-CD2 4.43Å; L151-Y184 HydrophobicContact CD1-CE2 4.34Å; L151-Y184 HydrophobicContact CD2-CD1 4.05Å; L151-Y184 HydrophobicContact CD2-CE1 4.35Å; L151-Y184 HydrophobicContact CD2-CG 4.15Å; L151-Y184 PolarHBondContact O-OH 3.01Å; Y166-Y184 HydrophobicContact CD1-CD1 4.02Å; Y166-Y184 HydrophobicContact CD1-CE1 4.37Å; Y166-Y184 AromaticContact CE1-CD1 3.69Å; Y166-Y184 HydrophobicContact CE1-CD1 3.69Å; Y166-Y184 HydrophobicContact CE1-CE1 4.44Å; Y166-Y184 HydrophobicContact CE2-CD1 4.39Å; Y166-Y184 AromaticContact CZ-CD1 3.86Å; A171-Y184 HydrophobicContact CB-CD1 3.76Å; A171-Y184 HydrophobicContact CB-CE1 4.22Å; A171-Y184 HydrophobicContact CB-CG 4.32Å; T182-Y184 HydrophobicContact CG2-CD2 4.14Å; T182-Y184 HydrophobicContact CG2-CE1 4.24Å; T182-Y184 HydrophobicContact CG2-CE2 3.36Å; T182-Y184 VanDerWaalsContact CG2-CZ 3.42Å; T182-Y184 WeakPolarHBondContact CG2-OH 3.39Å; Y184-T192 WeakPolarHBondContact O-CA 3.42Å; Y184-L193 PolarHBondContact N-O 2.86Å; Y184-L193 PolarHBondContact O-N 2.85Å; Y184-W218 HydrophobicContact CD2-CH2 4.37Å; Y184-W218 HydrophobicContact CD2-CZ3 4.14Å; Y184-W218 AromaticContact CE2-CH2 3.93Å; Y184-W218 HydrophobicContact CE2-CH2 3.93Å; Y184-W218 HydrophobicContact CE2-CZ3 4.16Å |
| 185 | Q | 97.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 15.6 Ų | 15.6 | 22% | 0.215 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 111.4 | 167 | -175.3 | -170.4 | 25.2 | 0 | 0 | 109 | S19 Y166 Y170 P187 | S19-Q185 PolarHBondContact OG-OE1 3.46Å; Y166-Q185 PolarHBondContact OH-N 2.95Å; Y166-Q185 PolarHBondContact OH-O 3.21Å; Y170-Q185 PolarHBondContact O-N 3.17Å; Q185-P187 WeakPolarHBondContact O-CD 3.15Å |
| 186 | L | 96.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 105.4 | -176.9 | -56.9 | -174 | 0 | 0 | 0 | 110.4 | V137 L139 Y147 L151 Y166 G188 Q189 V191 L193 | V137-L186 HydrophobicContact CG1-CD1 4.14Å; V137-L186 HydrophobicContact CG1-CD2 4.43Å; V137-L186 HydrophobicContact CG2-CD1 4.47Å; L139-L186 HydrophobicContact CD1-CD1 3.9Å; L139-L186 HydrophobicContact CD2-CD1 4.43Å; L139-L186 HydrophobicContact CG-CD1 4.41Å; Y147-L186 HydrophobicContact CD1-CD1 4.25Å; Y147-L186 HydrophobicContact CE1-CB 4.47Å; Y147-L186 HydrophobicContact CE1-CD1 3.99Å; Y147-L186 HydrophobicContact CE1-CD2 4.09Å; Y147-L186 HydrophobicContact CE1-CG 4.42Å; L151-L186 HydrophobicContact CD2-CD2 4.35Å; Y166-L186 HydrophobicContact CE2-CD2 3.95Å; L186-G188 PolarHBondContact O-N 3.01Å; L186-Q189 HydrophobicContact CB-CB 3.9Å; L186-Q189 HydrophobicContact CB-CG 4.04Å; L186-Q189 PolarHBondContact O-N 3.24Å; L186-Q189 VanDerWaalsContact O-N 3.09Å; L186-V191 HydrophobicContact CB-CB 4.49Å; L186-V191 HydrophobicContact CD1-CB 4.12Å; L186-V191 HydrophobicContact CD1-CG1 3.96Å; L186-V191 PolarHBondContact N-O 2.88Å; L186-L193 HydrophobicContact CD1-CD1 4.07Å; L186-L193 HydrophobicContact CD1-CG 4.21Å; L186-L193 HydrophobicContact CD2-CD1 4.2Å; L186-L193 HydrophobicContact CG-CD1 4.37Å; L186-L193 HydrophobicContact CG-CG 4.37Å |
| 187 | P | 87.7 | Confident | 97.3 | Very high | 51 Ų | 51 | 17.4 Ų | 17.4 | 33% | 0.331 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 131.5 | -170.4 | -22.1 | 36.4 | 0 | 0 | 0 | 111.2 | Y170 Q185 Q189 | Y170-P187 HydrophobicContact CD1-CG 3.9Å; Y170-P187 HydrophobicContact CD2-CG 3.77Å; Y170-P187 HydrophobicContact CE1-CG 4.25Å; Y170-P187 HydrophobicContact CE2-CG 4.14Å; Y170-P187 HydrophobicContact CG-CG 3.63Å; Q185-P187 WeakPolarHBondContact O-CD 3.15Å; P187-Q189 PolarHBondContact O-N 2.98Å |
| 188 | G | 92.2 | Very high | 97.3 | Very high | 74 Ų | 74 | 17.3 Ų | 17.3 | 76% | 0.763 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -1.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L186 | L186-G188 PolarHBondContact O-N 3.01Š|
| 189 | Q | 96.2 | Very high | 97.3 | Very high | 39 Ų | 39 | 17.2 Ų | 17.2 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -11.9 | 178.3 | -53.8 | -53.3 | -55 | 0 | 0 | 113.5 | L139 Y147 L186 P187 V191 N224 | L139-Q189 HydrophobicContact CD1-CB 3.82Å; L139-Q189 HydrophobicContact CD1-CG 3.95Å; Y147-Q189 HydrophobicContact CD1-CG 4.28Å; Y147-Q189 HydrophobicContact CD2-CG 3.8Å; Y147-Q189 HydrophobicContact CE2-CG 4.21Å; Y147-Q189 HydrophobicContact CG-CG 3.84Å; L186-Q189 HydrophobicContact CB-CB 3.9Å; L186-Q189 HydrophobicContact CB-CG 4.04Å; L186-Q189 PolarHBondContact O-N 3.24Å; L186-Q189 VanDerWaalsContact O-N 3.09Å; P187-Q189 PolarHBondContact O-N 2.98Å; Q189-V191 HydrophobicContact CB-CB 4.46Å; Q189-V191 PolarHBondContact O-N 3.42Å; Q189-N224 PolarHBondContact O-ND2 2.76Å |
| 190 | N | 95.3 | Very high | 97.2 | Very high | 96 Ų | 96 | 16.7 Ų | 16.7 | 51% | 0.513 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 41.8 | -171.6 | -62 | -29.8 | 0 | 0 | 0 | 112.5 | K223 | N190-K223 HydrophobicContact CB-CB 4.25Å; N190-K223 WeakPolarHBondContact O-CB 3.47Å; N190-K223 PolarHBondContact O-N 2.95Å |
| 191 | V | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.8 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | L139 L186 Q189 L193 I220 E221 L228 | L139-V191 HydrophobicContact CD1-CB 4.43Å; L139-V191 HydrophobicContact CD1-CG2 4.14Å; L186-V191 HydrophobicContact CB-CB 4.49Å; L186-V191 HydrophobicContact CD1-CB 4.12Å; L186-V191 HydrophobicContact CD1-CG1 3.96Å; L186-V191 PolarHBondContact N-O 2.88Å; Q189-V191 HydrophobicContact CB-CB 4.46Å; Q189-V191 PolarHBondContact O-N 3.42Å; V191-L193 HydrophobicContact CG1-CD2 3.86Å; V191-L193 HydrophobicContact CG1-CG 4.38Å; V191-I220 HydrophobicContact CG1-CG2 4.15Å; V191-E221 WeakPolarHBondContact CA-O 3.49Å; V191-L228 HydrophobicContact CG2-CD1 3.52Å |
| 192 | T | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.8 | 172.7 | -45.8 | 0 | 0 | 0 | 0 | 108.3 | E21 V183 Y184 E221 K223 | E21-T192 WeakPolarHBondContact OE2-CG2 3.49Å; E21-T192 PolarHBondContact OE2-OG1 2.88Å; V183-T192 HydrophobicContact CG1-CG2 3.89Å; Y184-T192 WeakPolarHBondContact O-CA 3.42Å; T192-E221 PolarHBondContact N-O 2.92Å; T192-E221 VanDerWaalsContact N-O 3.12Å; T192-E221 PolarHBondContact O-N 2.92Å; T192-K223 PolarHBondContact OG1-NZ 3.05Å |
| 193 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.8 | 174.6 | -54.2 | 178.3 | 0 | 0 | 0 | 108.8 | V137 L151 V183 Y184 L186 V191 W218 D219 I220 | V137-L193 HydrophobicContact CB-CD1 3.88Å; V137-L193 HydrophobicContact CG1-CD1 4.06Å; V137-L193 HydrophobicContact CG2-CD1 3.91Å; L151-L193 HydrophobicContact CD1-CD1 3.95Å; L151-L193 HydrophobicContact CD2-CD1 4.19Å; V183-L193 CarbonylContact C-O 3.55Å; V183-L193 WeakPolarHBondContact CA-O 3.35Å; Y184-L193 PolarHBondContact N-O 2.86Å; Y184-L193 PolarHBondContact O-N 2.85Å; L186-L193 HydrophobicContact CD1-CD1 4.07Å; L186-L193 HydrophobicContact CD1-CG 4.21Å; L186-L193 HydrophobicContact CD2-CD1 4.2Å; L186-L193 HydrophobicContact CG-CD1 4.37Å; L186-L193 HydrophobicContact CG-CG 4.37Å; V191-L193 HydrophobicContact CG1-CD2 3.86Å; V191-L193 HydrophobicContact CG1-CG 4.38Å; L193-W218 HydrophobicContact CB-CE3 4.1Å; L193-W218 HydrophobicContact CB-CZ3 3.99Å; L193-W218 HydrophobicContact CD1-CZ3 4.29Å; L193-D219 WeakPolarHBondContact CA-O 3.33Å; L193-I220 HydrophobicContact CD2-CB 4.27Å; L193-I220 HydrophobicContact CD2-CG1 3.88Å; L193-I220 HydrophobicContact CD2-CG2 3.95Å |
| 194 | T | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 111.1 | 170.5 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | G23 Q24 V26 V183 R196 W218 D219 | G23-T194 VanDerWaalsContact CA-OG1 3.27Å; G23-T194 WeakPolarHBondContact CA-OG1 3.45Å; Q24-T194 PolarHBondContact N-OG1 3.37Å; Q24-T194 VanDerWaalsContact N-OG1 3.16Å; Q24-T194 WeakPolarHBondContact O-CG2 3.2Å; V26-T194 HydrophobicContact CG2-CG2 4.01Å; V183-T194 HydrophobicContact CG2-CG2 4.01Å; T194-R196 HydrophobicContact CG2-CG 4.27Å; T194-W218 WeakPolarHBondContact O-CA 3.33Å; T194-D219 PolarHBondContact N-O 3.23Å; T194-D219 PolarHBondContact O-N 3.2Å |
| 195 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 111.3 | 171.7 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | W181 T182 V217 W218 | W181-C195 CarbonylContact C-O 3.51Å; W181-C195 WeakPolarHBondContact CA-O 3.25Å; T182-C195 PolarHBondContact N-O 3.05Å; T182-C195 PolarHBondContact O-N 2.94Å; C195-V217 CarbonylContact C-O 3.59Å; C195-W218 HydrophobicContact CB-CD2 3.83Å; C195-W218 HydrophobicContact CB-CE3 3.75Å; C195-W218 HydrophobicContact CB-CH2 3.47Å; C195-W218 VanDerWaalsContact CB-CH2 3.47Å; C195-W218 HydrophobicContact CB-CZ2 3.52Å; C195-W218 HydrophobicContact CB-CZ3 3.59Å; C195-W218 VanDerWaalsContact SG-CE2 3.52Å; C195-W218 WeakPolarHBondContact SG-CZ2 3.39Å |
| 196 | R | 98 | Very high | 97.2 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 14% | 0.136 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.3 | 169.4 | -54.4 | -165.4 | -91.8 | 132.5 | -1.7 | 108.6 | W181 T194 I198 F216 V217 D219 E401 | W181-R196 VanDerWaalsContact CD1-CG 3.45Å; W181-R196 HydrophobicContact CG-CG 4.47Å; T194-R196 HydrophobicContact CG2-CG 4.27Å; R196-I198 HydrophobicContact CB-CD1 4.1Å; R196-F216 CarbonylContact O-C 3.46Å; R196-F216 VanDerWaalsContact O-CA 3.24Å; R196-F216 WeakPolarHBondContact O-CA 3.32Å; R196-V217 HydrophobicContact CB-CB 4.34Å; R196-V217 PolarHBondContact N-O 2.98Å; R196-V217 PolarHBondContact O-N 3.49Å; R196-D219 IonicContact CZ-OD2 2.93Å; R196-D219 IonicContact NE-OD2 2.76Å; R196-D219 PolarHBondContact NE-OD2 3.02Å; R196-D219 IonicContact NH2-OD1 3.91Å; R196-D219 PolarHBondContact NH2-OD1 3.03Å; R196-D219 IonicContact NH2-OD2 3.48Å; R196-D219 PolarHBondContact NH2-OD2 2.96Å; R196-D219 VanDerWaalsContact NH2-OD2 3.09Å; R196-E401 IonicContact CZ-OE1 3.76Å; R196-E401 VanDerWaalsContact NH1-CD 3.29Å; R196-E401 IonicContact NH1-OE1 3.49Å; R196-E401 PolarHBondContact NH1-OE1 3.04Å; R196-E401 IonicContact NH1-OE2 3.85Å; R196-E401 PolarHBondContact NH1-OE2 3.1Å |
| 197 | Q | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.7 | 169.8 | 58.8 | 171.9 | 72.6 | 0 | 0 | 109.9 | A97 L99 R179 A180 V215 F216 | A97-Q197 PolarHBondContact O-NE2 3Å; A97-Q197 VanDerWaalsContact O-NE2 3.1Å; L99-Q197 HydrophobicContact CD2-CB 4.03Å; L99-Q197 HydrophobicContact CD2-CG 4.41Å; R179-Q197 WeakPolarHBondContact CA-O 3.49Å; A180-Q197 HydrophobicContact CB-CG 3.61Å; A180-Q197 PolarHBondContact N-O 3.34Å; A180-Q197 VanDerWaalsContact N-O 3.1Å; A180-Q197 VanDerWaalsContact O-CG 3.25Å; A180-Q197 WeakPolarHBondContact O-CG 3.41Å; A180-Q197 PolarHBondContact O-N 3.19Å; Q197-V215 CarbonylContact C-O 3.59Å; Q197-V215 WeakPolarHBondContact CA-O 3.31Å; Q197-F216 HydrophobicContact CB-CD1 3.81Å; Q197-F216 HydrophobicContact CB-CE1 3.86Å |
| 198 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.2 | -175.7 | -54.1 | 96.7 | 0 | 0 | 0 | 109.5 | R179 R196 A214 V215 V217 Y397 W400 E401 I404 | R179-I198 HydrophobicContact CG-CG1 4.33Å; R179-I198 HydrophobicContact CG-CG2 4.38Å; R196-I198 HydrophobicContact CB-CD1 4.1Å; I198-A214 VanDerWaalsContact O-CA 3.3Å; I198-A214 WeakPolarHBondContact O-CA 3.46Å; I198-V215 HydrophobicContact CD1-CB 4.47Å; I198-V215 HydrophobicContact CD1-CG1 4.45Å; I198-V215 PolarHBondContact N-O 2.88Å; I198-V215 PolarHBondContact O-N 2.88Å; I198-V217 HydrophobicContact CD1-CG2 3.97Å; I198-Y397 HydrophobicContact CD1-CD2 4.49Å; I198-W400 HydrophobicContact CG2-CE3 4.49Å; I198-E401 HydrophobicContact CG1-CG 3.99Å; I198-E401 HydrophobicContact CG2-CG 4.28Å; I198-I404 HydrophobicContact CG2-CD1 4.21Å |
| 199 | S | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -102.6 | 141.6 | 166.6 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | P98 L99 G100 P178 V201 | P98-S199 PolarHBondContact O-OG 3.14Å; L99-S199 VanDerWaalsContact CA-OG 3.32Å; L99-S199 WeakPolarHBondContact CA-OG 3.46Å; G100-S199 PolarHBondContact N-OG 2.97Å; G100-S199 VanDerWaalsContact N-OG 3.14Å; P178-S199 PolarHBondContact O-N 2.82Å; S199-V201 PolarHBondContact O-N 2.99Å | ||
| 200 | P | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -80.4 | 41.8 | -173.2 | 33.7 | -37 | 0 | 0 | 0 | 113.7 | I202 D208 S209 L211 A213 W400 | P200-I202 PolarHBondContact O-N 3.23Å; P200-D208 HydrophobicContact CB-CB 4.42Å; P200-D208 WeakPolarHBondContact CB-O 3.46Å; P200-D208 VanDerWaalsContact CG-O 3.31Å; P200-D208 WeakPolarHBondContact CG-O 3.09Å; P200-D208 CarbonylContact O-C 3.57Å; P200-D208 VanDerWaalsContact O-C 3.31Å; P200-S209 WeakPolarHBondContact O-CA 3.41Å; P200-S209 PolarHBondContact O-N 2.97Å; P200-L211 HydrophobicContact CG-CB 4.08Å; P200-A213 WeakPolarHBondContact CD-O 3.43Å; P200-W400 HydrophobicContact CB-CD2 3.81Å; P200-W400 HydrophobicContact CB-CE3 3.78Å; P200-W400 HydrophobicContact CB-CG 4.45Å; P200-W400 HydrophobicContact CB-CH2 3.94Å; P200-W400 HydrophobicContact CB-CZ2 3.99Å; P200-W400 HydrophobicContact CB-CZ3 3.85Å; P200-W400 HydrophobicContact CG-CH2 4.25Å; P200-W400 HydrophobicContact CG-CZ3 4.26Å | ||
| 201 | V | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | trans | -91.8 | 102.4 | -177.3 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | I102 Y177 P178 S199 W500 | I102-V201 HydrophobicContact CD1-CG1 4.2Å; I102-V201 HydrophobicContact CG1-CG1 4.24Å; I102-V201 HydrophobicContact CG1-CG2 4.29Å; Y177-V201 HydrophobicContact CE1-CB 4.38Å; Y177-V201 HydrophobicContact CE1-CG1 4.09Å; Y177-V201 WeakPolarHBondContact OH-CG2 3.28Å; P178-V201 HydrophobicContact CB-CB 3.89Å; P178-V201 HydrophobicContact CG-CB 4.46Å; P178-V201 WeakPolarHBondContact CG-O 3.36Å; S199-V201 PolarHBondContact O-N 2.99Å; V201-W500 HydrophobicContact CG1-CH2 3.69Å; V201-W500 HydrophobicContact CG1-CZ2 3.44Å; V201-W500 VanDerWaalsContact CG1-CZ2 3.44Å | ||
| 202 | I | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 16.1 Ų | 16.1 | 6% | 0.056 | 8% | 0.076 | C | C | . | . | trans | -127.5 | 122.6 | -168.4 | -55 | 166.1 | 0 | 0 | 0 | 109 | P200 H204 D205 D208 S209 W400 I404 W500 | P200-I202 PolarHBondContact O-N 3.23Å; I202-H204 PolarHBondContact O-N 3.38Å; I202-D205 HydrophobicContact CB-CB 3.87Å; I202-D205 HydrophobicContact CG2-CB 4.06Å; I202-D205 PolarHBondContact O-N 2.86Å; I202-D208 HydrophobicContact CD1-CB 4.45Å; I202-S209 PolarHBondContact N-OG 3.2Å; I202-S209 PolarHBondContact O-OG 3.48Å; I202-W400 HydrophobicContact CD1-CB 4.06Å; I202-W400 HydrophobicContact CD1-CG 4.19Å; I202-I404 HydrophobicContact CG1-CG1 4.02Å; I202-W500 PolarHBondContact O-NE1 2.94Å | ||
| 203 | P | 98.4 | Very high | 98.4 | Very high | 15 Ų | 15 | 16.1 Ų | 16.1 | 10% | 0.097 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 140.1 | 175.3 | -28 | 37 | 0 | 0 | 0 | 112.2 | D205 W407 L499 | P203-D205 PolarHBondContact O-N 3.16Å; P203-W407 HydrophobicContact CG-CD2 3.66Å; P203-W407 HydrophobicContact CG-CE3 3.8Å; P203-W407 HydrophobicContact CG-CG 3.99Å; P203-W407 HydrophobicContact CG-CH2 4.3Å; P203-W407 HydrophobicContact CG-CZ2 4.24Å; P203-W407 HydrophobicContact CG-CZ3 4.05Å; P203-L499 CarbonylContact C-O 3.57Å; P203-L499 WeakPolarHBondContact CA-O 3.29Å; P203-L499 HydrophobicContact CB-CB 4.02Å; P203-L499 HydrophobicContact CB-CD2 3.96Å; P203-L499 HydrophobicContact CG-CB 4.24Å; P203-L499 HydrophobicContact CG-CD2 3.84Å; P203-L499 HydrophobicContact CG-CG 4.46Å |
| 204 | H | 98 | Very high | 98.4 | Very high | 114 Ų | 114 | 16.1 Ų | 16.1 | 53% | 0.528 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 1.1 | -177.4 | -50.1 | -73.3 | 0 | 0 | 0 | 116.8 | I202 Y206 L499 | I202-H204 PolarHBondContact O-N 3.38Å; H204-Y206 WeakPolarHBondContact O-CD2 3.42Å; H204-Y206 WeakPolarHBondContact O-CE2 3.41Å; H204-L499 PolarHBondContact N-O 3.06Å |
| 205 | D | 98.5 | Very high | 98.5 | Very high | 46 Ų | 46 | 16.1 Ų | 16.1 | 25% | 0.246 | 8% | 0.077 | C | C | . | . | trans | -92 | 122.2 | 166.9 | -167.5 | -53.9 | 0 | 0 | 0 | 109.2 | I202 P203 Q207 D208 S209 | I202-D205 HydrophobicContact CB-CB 3.87Å; I202-D205 HydrophobicContact CG2-CB 4.06Å; I202-D205 PolarHBondContact O-N 2.86Å; P203-D205 PolarHBondContact O-N 3.16Å; D205-Q207 PolarHBondContact OD1-N 3.31Å; D205-D208 PolarHBondContact OD1-N 3.09Å; D205-S209 WeakPolarHBondContact O-CB 3.21Å; D205-S209 PolarHBondContact O-OG 2.85Å | ||
| 206 | Y | 98.4 | Very high | 98.5 | Very high | 29 Ų | 29 | 16.1 Ų | 16.1 | 11% | 0.114 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -109.6 | 5.1 | -177.6 | -59.2 | -80.6 | 0 | 0 | 0 | 114.1 | H204 Y378 W439 Y469 W500 P501 K502 L503 | H204-Y206 WeakPolarHBondContact O-CD2 3.42Å; H204-Y206 WeakPolarHBondContact O-CE2 3.41Å; Y206-Y378 PolarHBondContact O-OH 2.94Å; Y206-W439 AromaticContact CD1-CH2 3.97Å; Y206-W439 HydrophobicContact CD1-CH2 3.97Å; Y206-W439 HydrophobicContact CD1-CZ2 4.28Å; Y206-W439 HydrophobicContact CG-CH2 4.45Å; Y206-W439 VanDerWaalsContact O-CH2 3.23Å; Y206-W439 WeakPolarHBondContact O-CH2 3.46Å; Y206-Y469 AromaticContact CD1-CD1 3.9Å; Y206-Y469 HydrophobicContact CD1-CD1 3.9Å; Y206-Y469 HydrophobicContact CD1-CE1 4.24Å; Y206-Y469 HydrophobicContact CD2-CD1 4.05Å; Y206-Y469 AromaticContact CD2-CE1 3.54Å; Y206-Y469 HydrophobicContact CD2-CE1 3.54Å; Y206-Y469 HydrophobicContact CE1-CD1 4.36Å; Y206-Y469 HydrophobicContact CE2-CD1 4.48Å; Y206-Y469 AromaticContact CE2-CE1 3.94Å; Y206-Y469 HydrophobicContact CE2-CE1 3.94Å; Y206-Y469 AromaticContact CG-CD1 3.73Å; Y206-Y469 HydrophobicContact CG-CD1 3.73Å; Y206-Y469 AromaticContact CG-CE1 3.7Å; Y206-Y469 HydrophobicContact CG-CE1 3.7Å; Y206-W500 HydrophobicContact CE1-CB 4.11Å; Y206-P501 WeakPolarHBondContact OH-CD 3.42Å; Y206-K502 HydrophobicContact CE1-CB 3.77Å; Y206-K502 HydrophobicContact CE1-CG 4.27Å; Y206-K502 HydrophobicContact CE2-CB 4.3Å; Y206-K502 HydrophobicContact CE2-CG 3.91Å; Y206-K502 WeakPolarHBondContact OH-CG 3.35Å; Y206-K502 PolarHBondContact OH-N 2.89Å; Y206-L503 HydrophobicContact CD1-CG 4.32Å; Y206-L503 HydrophobicContact CE1-CG 4.13Å |
| 207 | Q | 97.9 | Very high | 98.5 | Very high | 66 Ų | 66 | 14.4 Ų | 14.4 | 31% | 0.308 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -108 | -62.7 | 175.8 | 171.9 | 174.9 | -26.9 | 0 | 0 | 109.7 | D205 S209 S210 Y378 | D205-Q207 PolarHBondContact OD1-N 3.31Å; Q207-S209 VanDerWaalsContact C-N 3.3Å; Q207-S209 PolarHBondContact O-N 2.83Å; Q207-S210 WeakPolarHBondContact O-CB 3.38Å; Q207-S210 PolarHBondContact O-N 2.97Å; Q207-S210 PolarHBondContact O-OG 2.99Å; Q207-Y378 HydrophobicContact CB-CD1 4.48Å; Q207-Y378 HydrophobicContact CB-CD2 4.45Å; Q207-Y378 HydrophobicContact CB-CE1 3.98Å; Q207-Y378 HydrophobicContact CB-CE2 3.98Å; Q207-Y378 HydrophobicContact CG-CD1 3.83Å; Q207-Y378 HydrophobicContact CG-CD2 3.82Å; Q207-Y378 HydrophobicContact CG-CE1 3.85Å; Q207-Y378 HydrophobicContact CG-CE2 3.87Å; Q207-Y378 HydrophobicContact CG-CG 3.82Å |
| 208 | D | 98.6 | Very high | 98.5 | Very high | 14 Ų | 14 | 14.3 Ų | 14.3 | 8% | 0.075 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -65.9 | -38.1 | -175.9 | -73.1 | -4 | 0 | 0 | 0 | 110.6 | P200 I202 D205 S210 L211 Y392 W400 | P200-D208 HydrophobicContact CB-CB 4.42Å; P200-D208 WeakPolarHBondContact CB-O 3.46Å; P200-D208 VanDerWaalsContact CG-O 3.31Å; P200-D208 WeakPolarHBondContact CG-O 3.09Å; P200-D208 CarbonylContact O-C 3.57Å; P200-D208 VanDerWaalsContact O-C 3.31Å; I202-D208 HydrophobicContact CD1-CB 4.45Å; D205-D208 PolarHBondContact OD1-N 3.09Å; D208-S210 PolarHBondContact O-N 2.83Å; D208-L211 HydrophobicContact CB-CD1 4.47Å; D208-L211 WeakPolarHBondContact O-CB 3.35Å; D208-L211 WeakPolarHBondContact O-CG 3.38Å; D208-L211 PolarHBondContact O-N 3.42Å; D208-Y392 WeakPolarHBondContact OD1-CE1 3.33Å; D208-Y392 PolarHBondContact OD1-OH 3.43Å; D208-W400 VanDerWaalsContact OD2-CD1 3.31Å; D208-W400 PolarHBondContact OD2-NE1 3.09Å |
| 209 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -60.2 | -15 | 172.2 | -61.4 | 0 | 0 | 0 | 0 | 114.3 | G101 I102 P200 I202 D205 Q207 | G101-S209 CarbonylContact C-O 3.48Å; G101-S209 VanDerWaalsContact CA-O 3.29Å; G101-S209 WeakPolarHBondContact CA-O 3.3Å; I102-S209 WeakPolarHBondContact CA-O 3.39Å; I102-S209 WeakPolarHBondContact CB-O 3.4Å; I102-S209 PolarHBondContact N-O 3.02Å; P200-S209 WeakPolarHBondContact O-CA 3.41Å; P200-S209 PolarHBondContact O-N 2.97Å; I202-S209 PolarHBondContact N-OG 3.2Å; I202-S209 PolarHBondContact O-OG 3.48Å; D205-S209 WeakPolarHBondContact O-CB 3.21Å; D205-S209 PolarHBondContact O-OG 2.85Å; Q207-S209 VanDerWaalsContact C-N 3.3Å; Q207-S209 PolarHBondContact O-N 2.83Å |
| 210 | S | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -90.8 | -9.8 | 177.1 | 76.7 | 0 | 0 | 0 | 0 | 114 | I102 Q207 D208 | I102-S210 WeakPolarHBondContact O-CA 3.37Å; Q207-S210 WeakPolarHBondContact O-CB 3.38Å; Q207-S210 PolarHBondContact O-N 2.97Å; Q207-S210 PolarHBondContact O-OG 2.99Å; D208-S210 PolarHBondContact O-N 2.83Å |
| 211 | L | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | trans | -77.2 | 131.3 | -162.7 | -57.6 | -177.9 | 0 | 0 | 0 | 113.1 | G101 P200 D208 A213 F379 L389 Y392 W400 | G101-L211 WeakPolarHBondContact CA-O 3.42Å; G101-L211 PolarHBondContact N-O 2.92Å; P200-L211 HydrophobicContact CG-CB 4.08Å; D208-L211 HydrophobicContact CB-CD1 4.47Å; D208-L211 WeakPolarHBondContact O-CB 3.35Å; D208-L211 WeakPolarHBondContact O-CG 3.38Å; D208-L211 PolarHBondContact O-N 3.42Å; L211-A213 PolarHBondContact O-N 2.99Å; L211-F379 HydrophobicContact CD1-CE2 4.38Å; L211-F379 HydrophobicContact CD2-CD2 3.92Å; L211-F379 HydrophobicContact CD2-CE2 3.42Å; L211-F379 VanDerWaalsContact CD2-CE2 3.42Å; L211-F379 HydrophobicContact CD2-CZ 4.33Å; L211-L389 HydrophobicContact CD2-CD2 4.27Å; L211-Y392 HydrophobicContact CD1-CD1 3.81Å; L211-Y392 HydrophobicContact CD1-CE1 3.83Å; L211-W400 HydrophobicContact CD1-CH2 4.45Å; L211-W400 HydrophobicContact CD1-CZ2 3.97Å | ||
| 212 | P | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -82 | 60.9 | 177.2 | 36.3 | -38.5 | 0 | 0 | 0 | 111.3 | A356 W357 Y375 L389 | P212-A356 WeakPolarHBondContact O-CA 3.41Å; P212-W357 HydrophobicContact CB-CD2 4.12Å; P212-W357 HydrophobicContact CB-CG 4.03Å; P212-W357 HydrophobicContact CB-CZ2 4.25Å; P212-W357 VanDerWaalsContact CB-NE1 3.26Å; P212-W357 WeakPolarHBondContact CB-O 3.39Å; P212-W357 WeakPolarHBondContact CG-O 3.09Å; P212-W357 PolarHBondContact O-N 3.22Å; P212-Y375 HydrophobicContact CB-CE1 4.46Å; P212-Y375 HydrophobicContact CG-CD1 3.85Å; P212-Y375 HydrophobicContact CG-CD2 4.11Å; P212-Y375 HydrophobicContact CG-CE1 3.71Å; P212-Y375 HydrophobicContact CG-CE2 4.03Å; P212-Y375 HydrophobicContact CG-CG 4.03Å; P212-L389 HydrophobicContact CG-CD1 4Å | ||
| 213 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 155.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P200 L211 L355 A356 A393 | P200-A213 WeakPolarHBondContact CD-O 3.43Å; L211-A213 PolarHBondContact O-N 2.99Å; A213-L355 CarbonylContact C-O 3.57Å; A213-L355 VanDerWaalsContact CA-O 3.32Å; A213-L355 WeakPolarHBondContact CA-O 3.34Å; A213-A356 HydrophobicContact CB-CB 4.13Å; A213-A393 HydrophobicContact CB-CB 4.26Å |
| 214 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L99 I198 C354 L355 | L99-A214 HydrophobicContact CB-CB 3.83Å; L99-A214 HydrophobicContact CD2-CB 3.86Å; L99-A214 HydrophobicContact CG-CB 4.28Å; I198-A214 VanDerWaalsContact O-CA 3.3Å; I198-A214 WeakPolarHBondContact O-CA 3.46Å; A214-C354 WeakPolarHBondContact O-CA 3.07Å; A214-C354 PolarHBondContact O-SG 2.91Å; A214-L355 PolarHBondContact N-O 3.49Å; A214-L355 PolarHBondContact O-N 2.85Å |
| 215 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140.4 | 177 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | Q197 I198 V217 F353 A393 Y397 W400 | Q197-V215 CarbonylContact C-O 3.59Å; Q197-V215 WeakPolarHBondContact CA-O 3.31Å; I198-V215 HydrophobicContact CD1-CB 4.47Å; I198-V215 HydrophobicContact CD1-CG1 4.45Å; I198-V215 PolarHBondContact N-O 2.88Å; I198-V215 PolarHBondContact O-N 2.88Å; V215-V217 HydrophobicContact CG1-CG2 3.94Å; V215-F353 CarbonylContact C-O 3.48Å; V215-F353 WeakPolarHBondContact CA-O 3.49Å; V215-F353 WeakPolarHBondContact CG1-O 3.46Å; V215-A393 HydrophobicContact CG2-CB 3.89Å; V215-Y397 HydrophobicContact CB-CG 4.35Å; V215-Y397 HydrophobicContact CG1-CD1 4.01Å; V215-Y397 HydrophobicContact CG1-CD2 4.23Å; V215-Y397 HydrophobicContact CG1-CE1 4.47Å; V215-Y397 HydrophobicContact CG1-CG 3.86Å; V215-Y397 HydrophobicContact CG2-CG 4.4Å; V215-W400 HydrophobicContact CG2-CZ3 4.22Å |
| 216 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.4 | 171.1 | -53.9 | -88.3 | 0 | 0 | 0 | 109.2 | L99 F115 F135 R196 Q197 F234 F353 L355 | L99-F216 HydrophobicContact CD1-CE1 4.17Å; L99-F216 HydrophobicContact CD1-CZ 3.58Å; L99-F216 HydrophobicContact CD2-CE1 4.23Å; L99-F216 HydrophobicContact CD2-CZ 4.25Å; F115-F216 HydrophobicContact CE1-CZ 4.33Å; F115-F216 HydrophobicContact CZ-CZ 4.23Å; F135-F216 HydrophobicContact CE2-CD1 4.06Å; F135-F216 HydrophobicContact CE2-CD2 4.43Å; F135-F216 HydrophobicContact CE2-CE1 4.21Å; F135-F216 HydrophobicContact CE2-CG 4.15Å; F135-F216 HydrophobicContact CE2-CZ 4.44Å; F135-F216 HydrophobicContact CZ-CB 3.97Å; F135-F216 HydrophobicContact CZ-CD1 4.06Å; F135-F216 AromaticContact CZ-CD2 3.8Å; F135-F216 HydrophobicContact CZ-CD2 3.8Å; F135-F216 HydrophobicContact CZ-CE1 4.49Å; F135-F216 HydrophobicContact CZ-CE2 4.25Å; F135-F216 AromaticContact CZ-CG 3.68Å; F135-F216 HydrophobicContact CZ-CG 3.68Å; R196-F216 CarbonylContact O-C 3.46Å; R196-F216 VanDerWaalsContact O-CA 3.24Å; R196-F216 WeakPolarHBondContact O-CA 3.32Å; Q197-F216 HydrophobicContact CB-CD1 3.81Å; Q197-F216 HydrophobicContact CB-CE1 3.86Å; F216-F234 HydrophobicContact CD2-CE1 4.37Å; F216-F234 HydrophobicContact CE2-CE1 4.13Å; F216-F234 HydrophobicContact CE2-CZ 4.17Å; F216-F353 HydrophobicContact CB-CB 4.29Å; F216-F353 PolarHBondContact N-O 3.32Å; F216-F353 PolarHBondContact O-N 3.33Å; F216-L355 HydrophobicContact CE2-CB 3.92Å |
| 217 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.6 | 173.3 | -171 | 0 | 0 | 0 | 0 | 108.6 | C195 R196 I198 V215 L351 E352 Y397 | C195-V217 CarbonylContact C-O 3.59Å; R196-V217 HydrophobicContact CB-CB 4.34Å; R196-V217 PolarHBondContact N-O 2.98Å; R196-V217 PolarHBondContact O-N 3.49Å; I198-V217 HydrophobicContact CD1-CG2 3.97Å; V215-V217 HydrophobicContact CG1-CG2 3.94Å; V217-L351 CarbonylContact C-O 3.58Å; V217-L351 WeakPolarHBondContact CA-O 3.4Å; V217-E352 HydrophobicContact CG1-CG 4.47Å; V217-Y397 HydrophobicContact CG2-CD2 4.1Å; V217-Y397 HydrophobicContact CG2-CE2 3.47Å; V217-Y397 VanDerWaalsContact CG2-CE2 3.47Å |
| 218 | W | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 102.7 | 178.3 | -75.4 | 91.5 | 0 | 0 | 0 | 109.8 | F135 L151 Y184 L193 T194 C195 I232 S350 L351 F353 | F135-W218 HydrophobicContact CB-CH2 4.12Å; F135-W218 HydrophobicContact CB-CZ2 3.52Å; F135-W218 AromaticContact CD1-CE2 3.81Å; F135-W218 AromaticContact CD1-CZ2 3.78Å; F135-W218 HydrophobicContact CD1-CZ2 3.78Å; F135-W218 AromaticContact CD1-NE1 3.4Å; F135-W218 AromaticContact CD2-CZ2 3.79Å; F135-W218 HydrophobicContact CD2-CZ2 3.79Å; F135-W218 HydrophobicContact CE1-CZ2 4.41Å; F135-W218 AromaticContact CE1-NE1 3.34Å; F135-W218 VanDerWaalsContact CE1-NE1 3.34Å; F135-W218 HydrophobicContact CE2-CZ2 4.42Å; F135-W218 AromaticContact CG-CE2 3.95Å; F135-W218 HydrophobicContact CG-CH2 4.45Å; F135-W218 AromaticContact CG-CZ2 3.42Å; F135-W218 HydrophobicContact CG-CZ2 3.42Å; F135-W218 VanDerWaalsContact CG-CZ2 3.42Å; F135-W218 AromaticContact CG-NE1 3.96Å; F135-W218 AromaticContact CZ-NE1 3.88Å; L151-W218 HydrophobicContact CD1-CH2 3.24Å; L151-W218 HydrophobicContact CD1-CZ2 4.17Å; L151-W218 HydrophobicContact CD1-CZ3 3.48Å; L151-W218 VanDerWaalsContact CD1-CZ3 3.48Å; Y184-W218 HydrophobicContact CD2-CH2 4.37Å; Y184-W218 HydrophobicContact CD2-CZ3 4.14Å; Y184-W218 AromaticContact CE2-CH2 3.93Å; Y184-W218 HydrophobicContact CE2-CH2 3.93Å; Y184-W218 HydrophobicContact CE2-CZ3 4.16Å; L193-W218 HydrophobicContact CB-CE3 4.1Å; L193-W218 HydrophobicContact CB-CZ3 3.99Å; L193-W218 HydrophobicContact CD1-CZ3 4.29Å; T194-W218 WeakPolarHBondContact O-CA 3.33Å; C195-W218 HydrophobicContact CB-CD2 3.83Å; C195-W218 HydrophobicContact CB-CE3 3.75Å; C195-W218 HydrophobicContact CB-CH2 3.47Å; C195-W218 VanDerWaalsContact CB-CH2 3.47Å; C195-W218 HydrophobicContact CB-CZ2 3.52Å; C195-W218 HydrophobicContact CB-CZ3 3.59Å; C195-W218 VanDerWaalsContact SG-CE2 3.52Å; C195-W218 WeakPolarHBondContact SG-CZ2 3.39Å; W218-I232 HydrophobicContact CB-CD1 3.39Å; W218-I232 HydrophobicContact CD2-CD1 3.56Å; W218-I232 HydrophobicContact CD2-CG2 4.46Å; W218-I232 HydrophobicContact CE3-CD1 3.78Å; W218-I232 HydrophobicContact CG-CD1 3.4Å; W218-I232 HydrophobicContact CG-CG2 4.47Å; W218-S350 CarbonylContact O-C 3.49Å; W218-S350 WeakPolarHBondContact O-CA 3.48Å; W218-L351 HydrophobicContact CB-CB 4.31Å; W218-L351 PolarHBondContact N-O 2.91Å; W218-L351 PolarHBondContact O-N 3.32Å; W218-F353 AromaticContact CD1-CD2 3.78Å; W218-F353 AromaticContact CD1-CE2 3.91Å |
| 219 | D | 98.5 | Very high | 98.2 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127 | 170.9 | -63.6 | -57.6 | 0 | 0 | 0 | 109.4 | Q24 L193 T194 R196 L348 | Q24-D219 HydrophobicContact CB-CB 3.93Å; Q24-D219 HydrophobicContact CG-CB 4.14Å; L193-D219 WeakPolarHBondContact CA-O 3.33Å; T194-D219 PolarHBondContact N-O 3.23Å; T194-D219 PolarHBondContact O-N 3.2Å; R196-D219 IonicContact CZ-OD2 2.93Å; R196-D219 IonicContact NE-OD2 2.76Å; R196-D219 PolarHBondContact NE-OD2 3.02Å; R196-D219 IonicContact NH2-OD1 3.91Å; R196-D219 PolarHBondContact NH2-OD1 3.03Å; R196-D219 IonicContact NH2-OD2 3.48Å; R196-D219 PolarHBondContact NH2-OD2 2.96Å; R196-D219 VanDerWaalsContact NH2-OD2 3.09Å; D219-L348 HydrophobicContact CB-CD1 4.19Å |
| 220 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 106.5 | -173.9 | -56.4 | 156.1 | 0 | 0 | 0 | 108.3 | V191 L193 V230 I232 V343 L348 N349 L351 | V191-I220 HydrophobicContact CG1-CG2 4.15Å; L193-I220 HydrophobicContact CD2-CB 4.27Å; L193-I220 HydrophobicContact CD2-CG1 3.88Å; L193-I220 HydrophobicContact CD2-CG2 3.95Å; I220-V230 HydrophobicContact CD1-CB 4.17Å; I220-V230 HydrophobicContact CD1-CG1 3.75Å; I220-V230 HydrophobicContact CG1-CG1 4.37Å; I220-V230 HydrophobicContact CG2-CB 4.48Å; I220-V230 HydrophobicContact CG2-CG1 4.23Å; I220-V230 HydrophobicContact CG2-CG2 4.13Å; I220-I232 HydrophobicContact CD1-CD1 4.37Å; I220-V343 HydrophobicContact CB-CG2 4.35Å; I220-V343 HydrophobicContact CG2-CG2 3.97Å; I220-L348 WeakPolarHBondContact O-CA 3.38Å; I220-N349 PolarHBondContact N-O 2.9Å; I220-N349 PolarHBondContact O-N 3.41Å; I220-N349 VanDerWaalsContact O-N 3.1Å; I220-L351 HydrophobicContact CD1-CD1 3.95Å; I220-L351 HydrophobicContact CD1-CG 3.89Å |
| 221 | E | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 22.2 Ų | 22.2 | 16% | 0.164 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 108.5 | 176.4 | -63.8 | 169.6 | -117.7 | 0 | 0 | 109.8 | Q24 V191 T192 K223 L348 | Q24-E221 PolarHBondContact N-OE1 2.83Å; V191-E221 WeakPolarHBondContact CA-O 3.49Å; T192-E221 PolarHBondContact N-O 2.92Å; T192-E221 VanDerWaalsContact N-O 3.12Å; T192-E221 PolarHBondContact O-N 2.92Å; E221-K223 VanDerWaalsContact OE2-CE 3.32Å; E221-K223 WeakPolarHBondContact OE2-CE 3.31Å; E221-K223 IonicContact OE2-NZ 3.01Å; E221-K223 PolarHBondContact OE2-NZ 2.97Å; E221-K223 VanDerWaalsContact OE2-NZ 3.12Å; E221-L348 HydrophobicContact CB-CD1 4.25Å; E221-L348 HydrophobicContact CG-CD1 3.37Å |
| 222 | N | 97.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 110.2 | 172.5 | -179.4 | 11.8 | 0 | 0 | 0 | 110.1 | N224 Y226 V343 P344 L346 K347 | N222-N224 VanDerWaalsContact OD1-CB 3.28Å; N222-N224 WeakPolarHBondContact OD1-CB 3.23Å; N222-N224 PolarHBondContact OD1-N 3.31Å; N222-N224 PolarHBondContact OD1-ND2 2.98Å; N222-Y226 PolarHBondContact ND2-O 3.44Å; N222-V343 HydrophobicContact CB-CB 4.18Å; N222-V343 HydrophobicContact CB-CG1 3.53Å; N222-V343 PolarHBondContact ND2-O 3.02Å; N222-P344 PolarHBondContact ND2-O 2.66Å; N222-L346 CarbonylContact O-C 3.55Å; N222-L346 WeakPolarHBondContact O-CA 3.41Å; N222-L346 PolarHBondContact O-N 2.91Å; N222-L346 VanDerWaalsContact O-N 3.13Å; N222-K347 PolarHBondContact N-O 3.45Å; N222-K347 PolarHBondContact O-N 3.28Å |
| 223 | K | 96.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 22.1 Ų | 22.1 | 31% | 0.313 | 12% | 0.116 | S | C | . | . | trans | -99.3 | 7.2 | -179.7 | -63.9 | 164.3 | 178 | 157.6 | 0 | 112.7 | E21 N190 T192 E221 L346 | E21-K223 IonicContact OE1-NZ 3.14Å; E21-K223 PolarHBondContact OE1-NZ 2.93Å; E21-K223 IonicContact OE2-NZ 3.84Å; E21-K223 PolarHBondContact OE2-NZ 3.11Å; N190-K223 HydrophobicContact CB-CB 4.25Å; N190-K223 WeakPolarHBondContact O-CB 3.47Å; N190-K223 PolarHBondContact O-N 2.95Å; T192-K223 PolarHBondContact OG1-NZ 3.05Å; E221-K223 VanDerWaalsContact OE2-CE 3.32Å; E221-K223 WeakPolarHBondContact OE2-CE 3.31Å; E221-K223 IonicContact OE2-NZ 3.01Å; E221-K223 PolarHBondContact OE2-NZ 2.97Å; E221-K223 VanDerWaalsContact OE2-NZ 3.12Å; K223-L346 WeakPolarHBondContact O-CD2 3.35Å | ||
| 224 | N | 97.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -77.8 | 161.3 | 171.9 | -58.8 | -79.9 | 0 | 0 | 0 | 110.9 | Q189 N222 Y226 A345 L346 | Q189-N224 PolarHBondContact O-ND2 2.76Å; N222-N224 VanDerWaalsContact OD1-CB 3.28Å; N222-N224 WeakPolarHBondContact OD1-CB 3.23Å; N222-N224 PolarHBondContact OD1-N 3.31Å; N222-N224 PolarHBondContact OD1-ND2 2.98Å; N224-Y226 HydrophobicContact CB-CD1 4.09Å; N224-Y226 HydrophobicContact CB-CD2 3.94Å; N224-Y226 HydrophobicContact CB-CE1 3.88Å; N224-Y226 HydrophobicContact CB-CE2 3.7Å; N224-Y226 HydrophobicContact CB-CG 4.13Å; N224-Y226 PolarHBondContact O-N 3.43Å; N224-Y226 PolarHBondContact OD1-OH 3.25Å; N224-A345 CarbonylContact O-C 3.52Å; N224-A345 WeakPolarHBondContact O-CA 3.47Å; N224-L346 WeakPolarHBondContact O-CD2 3.21Å; N224-L346 PolarHBondContact O-N 2.94Å |
| 225 | D | 97.2 | Very high | 98.2 | Very high | 137 Ų | 137 | 22.1 Ų | 22.1 | 73% | 0.733 | 12% | 0.116 | S | C | * | . | S | Bend | trans | -82.6 | 4.3 | 171.2 | 63.1 | -13.8 | 0 | 0 | 0 | 113.1 | A345 | D225-A345 WeakPolarHBondContact O-CB 3.29Š|
| 226 | Y | 97.2 | Very high | 98.2 | Very high | 76 Ų | 76 | 22.1 Ų | 22.1 | 30% | 0.298 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -125.8 | 156 | 174.3 | 52.1 | -101.1 | 0 | 0 | 0 | 112.1 | R141 N222 N224 L228 | R141-Y226 HydrophobicContact CG-CD2 4.46Å; N222-Y226 PolarHBondContact ND2-O 3.44Å; N224-Y226 HydrophobicContact CB-CD1 4.09Å; N224-Y226 HydrophobicContact CB-CD2 3.94Å; N224-Y226 HydrophobicContact CB-CE1 3.88Å; N224-Y226 HydrophobicContact CB-CE2 3.7Å; N224-Y226 HydrophobicContact CB-CG 4.13Å; N224-Y226 PolarHBondContact O-N 3.43Å; N224-Y226 PolarHBondContact OD1-OH 3.25Å; Y226-L228 HydrophobicContact CD2-CD2 4.23Å; Y226-L228 HydrophobicContact CD2-CG 4.25Å; Y226-L228 HydrophobicContact CE2-CD2 3.83Å; Y226-L228 HydrophobicContact CE2-CG 4.07Å |
| 227 | A | 97.7 | Very high | 98.2 | Very high | 51 Ų | 51 | 22.3 Ų | 22.3 | 42% | 0.421 | 12% | 0.117 | S | C | . | . | trans | -72.1 | 150.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V343 | A227-V343 WeakPolarHBondContact CA-O 3.38Š| ||
| 228 | L | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.8 | 176.2 | -76.3 | 171.1 | 0 | 0 | 0 | 109.5 | R140 R141 V191 Y226 V230 V343 | R140-L228 WeakPolarHBondContact O-CD2 3.09Å; R141-L228 HydrophobicContact CB-CD2 4.24Å; V191-L228 HydrophobicContact CG2-CD1 3.52Å; Y226-L228 HydrophobicContact CD2-CD2 4.23Å; Y226-L228 HydrophobicContact CD2-CG 4.25Å; Y226-L228 HydrophobicContact CE2-CD2 3.83Å; Y226-L228 HydrophobicContact CE2-CG 4.07Å; L228-V230 HydrophobicContact CB-CG2 4.06Å; L228-V343 PolarHBondContact N-O 3.12Å; L228-V343 PolarHBondContact O-N 2.95Å |
| 229 | D | 98.2 | Very high | 97.9 | Very high | 65 Ų | 65 | 22.4 Ų | 22.4 | 35% | 0.348 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.4 | 164 | -55.9 | -43.4 | 0 | 0 | 0 | 107.6 | R140 C341 S342 | R140-D229 HydrophobicContact CB-CB 4.13Å; R140-D229 PolarHBondContact N-O 2.64Å; R140-D229 PolarHBondContact O-N 3.15Å; D229-C341 WeakPolarHBondContact CA-O 3.45Å; D229-S342 WeakPolarHBondContact OD1-CB 3.33Å; D229-S342 PolarHBondContact OD1-OG 3.2Å |
| 230 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.8 | -172.1 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | V137 C138 L139 I220 L228 S340 C341 V343 | V137-V230 HydrophobicContact CG2-CG1 4.13Å; C138-V230 WeakPolarHBondContact O-CA 3.25Å; L139-V230 HydrophobicContact CD2-CB 4.28Å; L139-V230 HydrophobicContact CD2-CG1 3.85Å; L139-V230 HydrophobicContact CD2-CG2 3.68Å; I220-V230 HydrophobicContact CD1-CB 4.17Å; I220-V230 HydrophobicContact CD1-CG1 3.75Å; I220-V230 HydrophobicContact CG1-CG1 4.37Å; I220-V230 HydrophobicContact CG2-CB 4.48Å; I220-V230 HydrophobicContact CG2-CG1 4.23Å; I220-V230 HydrophobicContact CG2-CG2 4.13Å; L228-V230 HydrophobicContact CB-CG2 4.06Å; V230-S340 CarbonylContact O-C 3.56Å; V230-S340 VanDerWaalsContact O-CA 3.31Å; V230-S340 WeakPolarHBondContact O-CA 3.3Å; V230-C341 PolarHBondContact N-O 3.4Å; V230-C341 PolarHBondContact O-N 2.9Å; V230-V343 HydrophobicContact CB-CG2 4.26Å; V230-V343 HydrophobicContact CG2-CG2 3.87Å |
| 231 | S | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.1 | 172.1 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | V137 C138 G315 V339 S340 | V137-S231 CarbonylContact C-O 3.55Å; V137-S231 WeakPolarHBondContact CA-O 3.2Å; C138-S231 PolarHBondContact N-O 3.22Å; C138-S231 PolarHBondContact O-N 3.16Å; S231-G315 VanDerWaalsContact CB-O 3.28Å; S231-G315 WeakPolarHBondContact CB-O 3.43Å; S231-G315 PolarHBondContact OG-O 2.93Å; S231-V339 WeakPolarHBondContact CA-O 3.34Å; S231-S340 VanDerWaalsContact OG-CB 3.29Å; S231-S340 WeakPolarHBondContact OG-CB 3.41Å |
| 232 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.2 | 168.7 | -64 | -179.1 | 0 | 0 | 0 | 107.9 | F135 T136 W218 I220 A338 V339 L351 F353 | F135-I232 HydrophobicContact CD1-CG2 3.81Å; T136-I232 CarbonylContact O-C 3.57Å; T136-I232 WeakPolarHBondContact O-CA 3.45Å; W218-I232 HydrophobicContact CB-CD1 3.39Å; W218-I232 HydrophobicContact CD2-CD1 3.56Å; W218-I232 HydrophobicContact CD2-CG2 4.46Å; W218-I232 HydrophobicContact CE3-CD1 3.78Å; W218-I232 HydrophobicContact CG-CD1 3.4Å; W218-I232 HydrophobicContact CG-CG2 4.47Å; I220-I232 HydrophobicContact CD1-CD1 4.37Å; I232-A338 VanDerWaalsContact O-CA 3.3Å; I232-A338 WeakPolarHBondContact O-CA 3.44Å; I232-V339 PolarHBondContact N-O 3.41Å; I232-V339 PolarHBondContact O-N 2.8Å; I232-L351 HydrophobicContact CB-CD1 3.94Å; I232-L351 HydrophobicContact CD1-CD1 4.01Å; I232-L351 HydrophobicContact CG1-CD1 3.86Å; I232-F353 HydrophobicContact CB-CE2 4.11Å; I232-F353 HydrophobicContact CB-CZ 4.02Å; I232-F353 HydrophobicContact CG2-CE2 3.93Å; I232-F353 HydrophobicContact CG2-CZ 3.94Å; I232-F353 VanDerWaalsContact O-CZ 3.28Å; I232-F353 WeakPolarHBondContact O-CZ 3.12Å |
| 233 | M | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.3 | 175.3 | 179 | -177.1 | 67.6 | 0 | 0 | 109.8 | F135 T136 T235 L307 L311 L317 A336 L337 A338 | F135-M233 CarbonylContact C-O 3.59Å; F135-M233 VanDerWaalsContact CA-O 3.28Å; F135-M233 WeakPolarHBondContact CA-O 3.32Å; T136-M233 HydrophobicContact CG2-CE 4.32Å; T136-M233 PolarHBondContact N-O 2.95Å; T136-M233 PolarHBondContact O-N 2.79Å; M233-T235 HydrophobicContact CE-CG2 3.87Å; M233-T235 HydrophobicContact CG-CG2 4.12Å; M233-T235 HydrophobicContact SD-CG2 4.04Å; M233-L307 HydrophobicContact CE-CD2 4.46Å; M233-L307 HydrophobicContact SD-CD1 4.4Å; M233-L307 HydrophobicContact SD-CD2 4.12Å; M233-L307 HydrophobicContact SD-CG 4.12Å; M233-L311 HydrophobicContact CB-CD2 3.86Å; M233-L311 HydrophobicContact CE-CD2 4.33Å; M233-L311 HydrophobicContact SD-CD2 4.23Å; M233-L317 HydrophobicContact CG-CD1 4.17Å; M233-L317 HydrophobicContact SD-CD1 4.09Å; M233-L317 HydrophobicContact SD-CD2 4.08Å; M233-A336 HydrophobicContact CG-CB 4.24Å; M233-A336 HydrophobicContact SD-CB 4.09Å; M233-L337 CarbonylContact C-O 3.56Å; M233-L337 WeakPolarHBondContact CA-O 3.41Å; M233-A338 HydrophobicContact CB-CB 4.24Å |
| 234 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.9 | 171.4 | -173.6 | -163.5 | 0 | 0 | 0 | 109.9 | F115 Q134 F135 F216 M236 I282 A336 L337 F353 L355 | F115-F234 HydrophobicContact CE2-CE2 4.09Å; F115-F234 AromaticContact CZ-CE2 3.79Å; F115-F234 HydrophobicContact CZ-CE2 3.79Å; F115-F234 AromaticContact CZ-CZ 3.97Å; F115-F234 HydrophobicContact CZ-CZ 3.97Å; Q134-F234 WeakPolarHBondContact O-CA 3.41Å; Q134-F234 WeakPolarHBondContact O-CD2 3.5Å; F135-F234 HydrophobicContact CD1-CB 3.88Å; F135-F234 HydrophobicContact CD1-CD2 4.18Å; F135-F234 HydrophobicContact CD1-CG 4.1Å; F135-F234 HydrophobicContact CD2-CD2 4.35Å; F135-F234 HydrophobicContact CE1-CB 3.57Å; F135-F234 AromaticContact CE1-CD1 3.92Å; F135-F234 HydrophobicContact CE1-CD1 3.92Å; F135-F234 AromaticContact CE1-CD2 3.81Å; F135-F234 HydrophobicContact CE1-CD2 3.81Å; F135-F234 HydrophobicContact CE1-CE2 4.49Å; F135-F234 AromaticContact CE1-CG 3.49Å; F135-F234 HydrophobicContact CE1-CG 3.49Å; F135-F234 VanDerWaalsContact CE1-CG 3.49Å; F135-F234 AromaticContact CE2-CD2 3.98Å; F135-F234 HydrophobicContact CE2-CD2 3.98Å; F135-F234 AromaticContact CE2-CE2 3.99Å; F135-F234 HydrophobicContact CE2-CE2 3.99Å; F135-F234 HydrophobicContact CE2-CG 4.42Å; F135-F234 HydrophobicContact CE2-CZ 4.4Å; F135-F234 HydrophobicContact CG-CD2 4.45Å; F135-F234 HydrophobicContact CZ-CB 4.28Å; F135-F234 AromaticContact CZ-CD1 3.85Å; F135-F234 HydrophobicContact CZ-CD1 3.85Å; F135-F234 AromaticContact CZ-CD2 3.69Å; F135-F234 HydrophobicContact CZ-CD2 3.69Å; F135-F234 HydrophobicContact CZ-CE1 4.05Å; F135-F234 AromaticContact CZ-CE2 3.92Å; F135-F234 HydrophobicContact CZ-CE2 3.92Å; F135-F234 AromaticContact CZ-CG 3.68Å; F135-F234 HydrophobicContact CZ-CG 3.68Å; F135-F234 HydrophobicContact CZ-CZ 4.09Å; F216-F234 HydrophobicContact CD2-CE1 4.37Å; F216-F234 HydrophobicContact CE2-CE1 4.13Å; F216-F234 HydrophobicContact CE2-CZ 4.17Å; F234-M236 HydrophobicContact CD2-CG 4.44Å; F234-M236 HydrophobicContact CE1-CG 4.46Å; F234-M236 HydrophobicContact CE2-CG 3.75Å; F234-M236 HydrophobicContact CE2-SD 3.84Å; F234-M236 HydrophobicContact CZ-CG 3.76Å; F234-M236 HydrophobicContact CZ-SD 3.98Å; F234-I282 HydrophobicContact CD1-CB 4.21Å; F234-I282 HydrophobicContact CD1-CG2 3.88Å; F234-I282 HydrophobicContact CE1-CB 4.36Å; F234-I282 HydrophobicContact CE1-CG2 3.64Å; F234-I282 HydrophobicContact CZ-CG2 4.16Å; F234-A336 CarbonylContact O-C 3.55Å; F234-A336 WeakPolarHBondContact O-CA 3.44Å; F234-L337 PolarHBondContact N-O 3.11Å; F234-L337 PolarHBondContact O-N 2.78Å; F234-F353 HydrophobicContact CB-CD1 3.91Å; F234-F353 HydrophobicContact CB-CE1 4.03Å; F234-F353 HydrophobicContact CD1-CB 4.41Å; F234-F353 HydrophobicContact CD1-CD1 4.26Å; F234-L355 HydrophobicContact CE1-CB 4.23Å; F234-L355 HydrophobicContact CZ-CB 4.43Å; F234-L355 HydrophobicContact CZ-CD2 4.49Å |
| 235 | T | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.3 | 177 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | A132 N133 Q134 W162 M233 F298 L307 A335 A336 | A132-T235 WeakPolarHBondContact O-CB 3.3Å; A132-T235 PolarHBondContact O-OG1 3.48Å; N133-T235 WeakPolarHBondContact CA-O 3.36Å; Q134-T235 PolarHBondContact N-O 2.94Å; Q134-T235 PolarHBondContact N-OG1 2.99Å; Q134-T235 PolarHBondContact O-N 3.45Å; Q134-T235 PolarHBondContact O-OG1 3.1Å; W162-T235 HydrophobicContact CH2-CG2 3.97Å; M233-T235 HydrophobicContact CE-CG2 3.87Å; M233-T235 HydrophobicContact CG-CG2 4.12Å; M233-T235 HydrophobicContact SD-CG2 4.04Å; T235-F298 HydrophobicContact CG2-CE1 4.44Å; T235-F298 HydrophobicContact CG2-CZ 4.33Å; T235-L307 HydrophobicContact CG2-CD2 4.25Å; T235-A335 WeakPolarHBondContact CA-O 3.22Å; T235-A336 HydrophobicContact CG2-CB 3.78Å |
| 236 | M | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 136.4 | 173.6 | -77.1 | -62.9 | -91.6 | 0 | 0 | 111.6 | W118 N133 F234 L269 I282 A334 A335 L355 | W118-M236 HydrophobicContact CH2-CE 3.77Å; W118-M236 HydrophobicContact CZ3-CE 4.32Å; N133-M236 HydrophobicContact CB-SD 3.51Å; N133-M236 VanDerWaalsContact CB-SD 3.51Å; N133-M236 PolarHBondContact ND2-SD 2.98Å; N133-M236 WeakPolarHBondContact OD1-CA 3.35Å; F234-M236 HydrophobicContact CD2-CG 4.44Å; F234-M236 HydrophobicContact CE1-CG 4.46Å; F234-M236 HydrophobicContact CE2-CG 3.75Å; F234-M236 HydrophobicContact CE2-SD 3.84Å; F234-M236 HydrophobicContact CZ-CG 3.76Å; F234-M236 HydrophobicContact CZ-SD 3.98Å; M236-L269 HydrophobicContact CB-CD2 4.34Å; M236-L269 WeakPolarHBondContact O-CD2 3.29Å; M236-I282 HydrophobicContact CB-CG2 3.94Å; M236-I282 HydrophobicContact CG-CG2 3.49Å; M236-I282 VanDerWaalsContact CG-CG2 3.49Å; M236-A334 CarbonylContact O-C 3.52Å; M236-A334 WeakPolarHBondContact O-CA 3.26Å; M236-A334 WeakPolarHBondContact O-CB 3.15Å; M236-A335 PolarHBondContact N-O 2.86Å; M236-A335 PolarHBondContact O-N 2.7Å; M236-L355 HydrophobicContact CE-CD1 3.81Å; M236-L355 HydrophobicContact CE-CD2 3.74Å; M236-L355 HydrophobicContact CE-CG 4.46Å |
| 237 | V | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 141.8 | 166.3 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | V130 A132 N133 G239 P300 A334 | V130-V237 HydrophobicContact CG1-CB 3.92Å; V130-V237 HydrophobicContact CG1-CG2 3.66Å; A132-V237 HydrophobicContact CB-CG2 3.69Å; N133-V237 PolarHBondContact OD1-N 2.85Å; V237-G239 VanDerWaalsContact C-N 3.27Å; V237-G239 PolarHBondContact O-N 3.1Å; V237-P300 HydrophobicContact CG2-CB 4.43Å; V237-P300 HydrophobicContact CG2-CG 4.36Å; V237-A334 HydrophobicContact CG2-CB 4.22Å |
| 238 | N | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -71.2 | 85.9 | 167.2 | -173.9 | -29.9 | 0 | 0 | 0 | 109.1 | W251 N252 L269 H270 H271 V333 | N238-W251 PolarHBondContact ND2-O 3.34Å; N238-N252 PolarHBondContact ND2-OD1 3.41Å; N238-L269 HydrophobicContact CB-CB 3.87Å; N238-L269 HydrophobicContact CB-CD2 3.92Å; N238-L269 HydrophobicContact CB-CG 4.48Å; N238-H270 PolarHBondContact ND2-N 3.04Å; N238-H270 PolarHBondContact ND2-O 3.4Å; N238-H270 PolarHBondContact OD1-O 3.42Å; N238-H271 PolarHBondContact O-ND1 2.99Å; N238-H271 WeakPolarHBondContact OD1-CA 3.3Å; N238-H271 WeakPolarHBondContact OD1-CB 3.36Å; N238-H271 PolarHBondContact OD1-N 2.77Å; N238-H271 PolarHBondContact OD1-ND1 2.78Å; N238-V333 HydrophobicContact CB-CG1 3.68Å; N238-V333 WeakPolarHBondContact CB-O 3.4Å; N238-V333 PolarHBondContact N-O 2.67Å |
| 239 | G | 94.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 143.8 | -171 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V237 D245 Y278 | V237-G239 VanDerWaalsContact C-N 3.27Å; V237-G239 PolarHBondContact O-N 3.1Å; G239-D245 WeakPolarHBondContact CA-OD1 3.31Å; G239-Y278 WeakPolarHBondContact CA-OH 3.49Å |
| 240 | S | 92.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 6% | 0.056 | 13% | 0.129 | C | C | . | . | trans | -115.7 | 7.9 | -173.4 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | W118 H126 V130 H242 D245 | W118-S240 VanDerWaalsContact CD1-O 3.32Å; W118-S240 PolarHBondContact NE1-O 3.16Å; H126-S240 PolarHBondContact CD2-OG 3.24Å; V130-S240 WeakPolarHBondContact CG2-O 3.35Å; S240-H242 VanDerWaalsContact C-N 3.28Å; S240-D245 PolarHBondContact N-OD1 3.2Å; S240-D245 VanDerWaalsContact N-OD1 3.14Å | ||
| 241 | G | 88.3 | Confident | 95.8 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 87.3 | -4.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K128 D245 | K128-G241 WeakPolarHBondContact CD-O 3.49Å; K128-G241 PolarHBondContact NZ-O 3.19Å; G241-D245 WeakPolarHBondContact CA-OD2 3.29Å; G241-D245 PolarHBondContact N-OD1 2.95Å; G241-D245 PolarHBondContact N-OD2 3.31Å |
| 242 | H | 90.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 26.4 Ų | 26.4 | 26% | 0.264 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -70.5 | 177.9 | -179 | -164 | -120.3 | 0 | 0 | 0 | 112 | H126 S240 D244 D245 | H126-H242 AromaticContact CD2-CG 3.96Å; H126-H242 AromaticContact CE1-CD2 3.3Å; H126-H242 PolarHBondContact CE1-CD2 2.86Å; H126-H242 AromaticContact CE1-CE1 3.73Å; H126-H242 AromaticContact CE1-CG 3.55Å; H126-H242 AromaticContact CE1-ND1 3.82Å; H126-H242 AromaticContact CE1-NE2 3.5Å; H126-H242 PolarHBondContact CE1-NE2 3.09Å; H126-H242 AromaticContact CG-CD2 3.85Å; H126-H242 AromaticContact ND1-CD2 3.32Å; H126-H242 PolarHBondContact ND1-CD2 2.84Å; H126-H242 VanDerWaalsContact ND1-CD2 3.32Å; H126-H242 AromaticContact ND1-CG 3.87Å; H126-H242 AromaticContact ND1-NE2 3.8Å; H126-H242 AromaticContact NE2-CD2 3.83Å; H126-H242 AromaticContact NE2-CG 3.6Å; H126-H242 AromaticContact NE2-ND1 3.87Å; S240-H242 VanDerWaalsContact C-N 3.28Å; H242-D244 IonicContact CE1-OD2 3.18Å; H242-D244 PolarHBondContact CE1-OD2 3.02Å; H242-D244 IonicContact CG-OD2 3.84Å; H242-D244 IonicContact ND1-OD2 2.67Å; H242-D244 PolarHBondContact ND1-OD2 2.77Å; H242-D244 PolarHBondContact O-N 2.98Å; H242-D245 PolarHBondContact N-OD1 3.08Å |
| 243 | K | 90.8 | Very high | 95.8 | Very high | 157 Ų | 157 | 29 Ų | 29 | 68% | 0.683 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -66.3 | -26.5 | 177.9 | 73.5 | -167.2 | 178.5 | -177.2 | 0 | 111.7 | D245 K246 | K243-D245 VanDerWaalsContact C-N 3.3Å; K243-D245 PolarHBondContact O-N 3.11Å; K243-K246 PolarHBondContact O-N 3.45Å |
| 244 | D | 93.2 | Very high | 95.8 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -72.9 | -22.4 | -174.8 | -53.6 | -39.3 | 0 | 0 | 0 | 112.2 | H242 K246 S247 H250 T273 | H242-D244 IonicContact CE1-OD2 3.18Å; H242-D244 PolarHBondContact CE1-OD2 3.02Å; H242-D244 IonicContact CG-OD2 3.84Å; H242-D244 IonicContact ND1-OD2 2.67Å; H242-D244 PolarHBondContact ND1-OD2 2.77Å; H242-D244 PolarHBondContact O-N 2.98Å; D244-K246 PolarHBondContact O-N 3.35Å; D244-S247 WeakPolarHBondContact O-CB 3.05Å; D244-S247 PolarHBondContact O-N 2.53Å; D244-S247 PolarHBondContact O-OG 3.42Å; D244-H250 PolarHBondContact O-NE2 2.83Å; D244-T273 HydrophobicContact CB-CG2 3.95Å |
| 245 | D | 94.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -50.2 | -18.6 | 166.8 | -59.5 | 7.2 | 0 | 0 | 0 | 114.4 | G239 S240 G241 H242 K243 H271 E331 K332 | G239-D245 WeakPolarHBondContact CA-OD1 3.31Å; S240-D245 PolarHBondContact N-OD1 3.2Å; S240-D245 VanDerWaalsContact N-OD1 3.14Å; G241-D245 WeakPolarHBondContact CA-OD2 3.29Å; G241-D245 PolarHBondContact N-OD1 2.95Å; G241-D245 PolarHBondContact N-OD2 3.31Å; H242-D245 PolarHBondContact N-OD1 3.08Å; K243-D245 VanDerWaalsContact C-N 3.3Å; K243-D245 PolarHBondContact O-N 3.11Å; D245-H271 IonicContact OD1-CE1 3.2Å; D245-E331 VanDerWaalsContact O-O 3.04Å; D245-K332 HydrophobicContact CB-CD 4.14Å; D245-K332 HydrophobicContact CB-CG 4.27Å; D245-K332 IonicContact OD2-NZ 2.73Å; D245-K332 PolarHBondContact OD2-NZ 2.82Å |
| 246 | K | 95.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 36.9 Ų | 36.9 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -111.6 | 9.3 | -179.2 | -63.3 | -176.2 | -178.4 | -179.2 | 0 | 113.1 | K243 D244 G248 G330 E331 K332 | K243-K246 PolarHBondContact O-N 3.45Å; D244-K246 PolarHBondContact O-N 3.35Å; K246-G248 PolarHBondContact O-N 3.19Å; K246-G330 PolarHBondContact O-N 3.23Å; K246-E331 WeakPolarHBondContact CA-O 3.48Å; K246-K332 HydrophobicContact CG-CG 3.95Å |
| 247 | S | 95.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -68 | -21.5 | -179.8 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | D244 H250 | D244-S247 WeakPolarHBondContact O-CB 3.05Å; D244-S247 PolarHBondContact O-N 2.53Å; D244-S247 PolarHBondContact O-OG 3.42Å; S247-H250 PolarHBondContact OG-CE1 3.35Å; S247-H250 VanDerWaalsContact OG-CE1 3.32Å; S247-H250 PolarHBondContact OG-NE2 3.3Å; S247-H250 VanDerWaalsContact OG-NE2 3.14Å |
| 248 | G | 95.7 | Very high | 95.6 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 85.7 | 164.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K246 H250 T327 | K246-G248 PolarHBondContact O-N 3.19Å; G248-H250 VanDerWaalsContact C-N 3.32Å; G248-H250 PolarHBondContact O-N 3.43Å; G248-T327 CarbonylContact C-O 3.51Å; G248-T327 WeakPolarHBondContact CA-O 3.37Å |
| 249 | G | 97.3 | Very high | 95.6 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | trans | 87.2 | -10.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | T327 | G249-T327 PolarHBondContact N-O 3.04Å; G249-T327 PolarHBondContact N-OG1 3.12Å | ||
| 250 | H | 98.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | trans | -70.9 | 145.4 | 173.7 | -43.7 | -57.1 | 0 | 0 | 0 | 111.2 | D244 S247 G248 H270 H271 C272 P326 T327 | D244-H250 PolarHBondContact O-NE2 2.83Å; S247-H250 PolarHBondContact OG-CE1 3.35Å; S247-H250 VanDerWaalsContact OG-CE1 3.32Å; S247-H250 PolarHBondContact OG-NE2 3.3Å; S247-H250 VanDerWaalsContact OG-NE2 3.14Å; G248-H250 VanDerWaalsContact C-N 3.32Å; G248-H250 PolarHBondContact O-N 3.43Å; H250-H270 WeakPolarHBondContact CA-O 3.3Å; H250-H271 AromaticContact CE1-CE1 3.58Å; H250-H271 AromaticContact CE1-ND1 3.67Å; H250-H271 AromaticContact ND1-CE1 3.98Å; H250-H271 AromaticContact ND1-CG 3.99Å; H250-H271 AromaticContact ND1-ND1 3.6Å; H250-H271 AromaticContact NE2-CE1 3.9Å; H250-C272 PolarHBondContact ND1-N 3.17Å; H250-C272 VanDerWaalsContact ND1-N 3.16Å; H250-P326 WeakPolarHBondContact O-CA 3.28Å; H250-T327 PolarHBondContact N-OG1 3.37Å; H250-T327 VanDerWaalsContact N-OG1 3.12Å; H250-T327 WeakPolarHBondContact O-CG2 3.35Å; H250-T327 PolarHBondContact O-N 3.08Å; H250-T327 PolarHBondContact O-OG1 2.88Å | ||
| 251 | W | 98.4 | Very high | 95.7 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 163.9 | -178.9 | 61.5 | -77.5 | 0 | 0 | 0 | 110.7 | N238 E253 H270 | N238-W251 PolarHBondContact ND2-O 3.34Å; W251-E253 HydrophobicContact CE3-CB 4.35Å; W251-E253 HydrophobicContact CH2-CG 4.17Å; W251-E253 WeakPolarHBondContact CH2-OE2 3.46Å; W251-E253 HydrophobicContact CZ3-CB 3.74Å; W251-E253 VanDerWaalsContact CZ3-CD 3.41Å; W251-E253 HydrophobicContact CZ3-CG 3.7Å; W251-E253 VanDerWaalsContact CZ3-OE2 3.24Å; W251-E253 WeakPolarHBondContact CZ3-OE2 3.24Å; W251-H270 HydrophobicContact CD2-CB 4.18Å; W251-H270 AromaticContact CD2-CD2 3.58Å; W251-H270 AromaticContact CE2-CD2 3.4Å; W251-H270 AromaticContact CE2-CG 3.57Å; W251-H270 AromaticContact CE3-CD2 3.64Å; W251-H270 HydrophobicContact CG-CB 4.28Å; W251-H270 AromaticContact CH2-CD2 3.35Å; W251-H270 WeakPolarHBondContact CH2-CD2 3.48Å; W251-H270 AromaticContact CH2-NE2 3.37Å; W251-H270 WeakPolarHBondContact CH2-NE2 3.49Å; W251-H270 HydrophobicContact CZ2-CB 4.16Å; W251-H270 AromaticContact CZ2-CD2 3.28Å; W251-H270 WeakPolarHBondContact CZ2-CD2 3.06Å; W251-H270 AromaticContact CZ2-CG 3.55Å; W251-H270 AromaticContact CZ2-NE2 3.65Å; W251-H270 AromaticContact CZ3-CD2 3.55Å; W251-H270 AromaticContact CZ3-NE2 3.75Å; W251-H270 PolarHBondContact N-O 3.35Å; W251-H270 AromaticContact NE1-CG 3.9Å; W251-H270 WeakPolarHBondContact O-CB 3.34Å; W251-H270 PolarHBondContact O-N 3.23Å |
| 252 | N | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.4 | -179.7 | -59.8 | -6.8 | 0 | 0 | 0 | 110.9 | N238 V267 L268 T296 S323 S324 A334 | N238-N252 PolarHBondContact ND2-OD1 3.41Å; N252-V267 HydrophobicContact CB-CG1 4.03Å; N252-L268 CarbonylContact C-O 3.55Å; N252-L268 WeakPolarHBondContact CA-O 3.42Å; N252-L268 WeakPolarHBondContact CB-O 3.49Å; N252-T296 HydrophobicContact CB-CG2 4.14Å; N252-T296 VanDerWaalsContact CB-O 3.22Å; N252-T296 WeakPolarHBondContact CB-O 3.36Å; N252-T296 PolarHBondContact ND2-O 3.41Å; N252-S323 CarbonylContact O-C 3.53Å; N252-S323 WeakPolarHBondContact O-CA 3.37Å; N252-S324 PolarHBondContact N-OG 3.21Å; N252-S324 PolarHBondContact O-N 3.08Å; N252-S324 PolarHBondContact O-OG 3.09Å; N252-A334 PolarHBondContact ND2-O 3.25Å |
| 253 | E | 98.2 | Very high | 96.4 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 146.9 | 170.6 | 62.3 | -177.5 | 178.7 | 0 | 0 | 113.3 | W251 V267 L268 H270 S323 | W251-E253 HydrophobicContact CE3-CB 4.35Å; W251-E253 HydrophobicContact CH2-CG 4.17Å; W251-E253 WeakPolarHBondContact CH2-OE2 3.46Å; W251-E253 HydrophobicContact CZ3-CB 3.74Å; W251-E253 VanDerWaalsContact CZ3-CD 3.41Å; W251-E253 HydrophobicContact CZ3-CG 3.7Å; W251-E253 VanDerWaalsContact CZ3-OE2 3.24Å; W251-E253 WeakPolarHBondContact CZ3-OE2 3.24Å; E253-V267 CarbonylContact O-C 3.17Å; E253-V267 WeakPolarHBondContact O-CA 3.28Å; E253-V267 WeakPolarHBondContact O-CG1 3.38Å; E253-L268 HydrophobicContact CG-CB 4.01Å; E253-L268 HydrophobicContact CG-CD1 4.17Å; E253-L268 HydrophobicContact CG-CG 4.39Å; E253-L268 PolarHBondContact N-O 3.41Å; E253-L268 PolarHBondContact O-N 3.29Å; E253-H270 IonicContact OE1-CE1 4Å; E253-H270 IonicContact OE1-NE2 2.69Å; E253-H270 PolarHBondContact OE1-NE2 2.98Å; E253-S323 WeakPolarHBondContact CB-OG 3.38Å; E253-S323 PolarHBondContact OE2-OG 3.36Å |
| 254 | P | 98.2 | Very high | 96.7 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 150.5 | 169.5 | 33.6 | -34.2 | 0 | 0 | 0 | 110.1 | G266 H294 G322 | P254-G266 WeakPolarHBondContact CA-O 3.42Å; P254-H294 WeakPolarHBondContact CB-NE2 3.42Å; P254-G322 VanDerWaalsContact CD-O 3.3Å; P254-G322 WeakPolarHBondContact CD-O 3.32Å |
| 255 | F | 97.9 | Very high | 96.9 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.3 | 171.6 | 80.5 | -80.8 | 0 | 0 | 0 | 110.9 | L257 V264 S265 G266 L268 C281 A283 P387 | F255-L257 HydrophobicContact CD2-CB 4.44Å; F255-L257 HydrophobicContact CE2-CB 4.47Å; F255-V264 HydrophobicContact CE2-CG1 4.25Å; F255-V264 HydrophobicContact CZ-CG1 4.19Å; F255-S265 WeakPolarHBondContact O-CA 3.31Å; F255-G266 VanDerWaalsContact CD1-C 3.45Å; F255-G266 WeakPolarHBondContact CD1-O 3.47Å; F255-G266 VanDerWaalsContact CE1-C 3.48Å; F255-G266 VanDerWaalsContact CE1-CA 3.47Å; F255-G266 PolarHBondContact N-O 2.92Å; F255-G266 PolarHBondContact O-N 3.1Å; F255-G266 VanDerWaalsContact O-N 3.15Å; F255-L268 HydrophobicContact CB-CD1 4.3Å; F255-L268 HydrophobicContact CB-CG 4.27Å; F255-L268 HydrophobicContact CD1-CD2 3.65Å; F255-L268 HydrophobicContact CD1-CG 3.74Å; F255-L268 HydrophobicContact CE1-CD2 3.89Å; F255-L268 HydrophobicContact CE1-CG 4.46Å; F255-L268 HydrophobicContact CG-CD2 4.24Å; F255-L268 HydrophobicContact CG-CG 4.2Å; F255-C281 WeakPolarHBondContact CE1-SG 3.33Å; F255-A283 HydrophobicContact CE1-CB 4.25Å; F255-A283 HydrophobicContact CZ-CB 3.78Å; F255-P387 HydrophobicContact CD2-CB 3.8Å; F255-P387 HydrophobicContact CD2-CG 4.09Å; F255-P387 HydrophobicContact CE2-CB 3.87Å; F255-P387 HydrophobicContact CE2-CG 4.45Å; F255-P387 HydrophobicContact CG-CG 4.4Å |
| 256 | H | 97.5 | Very high | 97.1 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.2 | 169.8 | 174.3 | 85.3 | 0 | 0 | 0 | 107.7 | S265 E286 | H256-S265 PolarHBondContact ND1-OG 3.01Å; H256-E286 IonicContact CE1-OE1 2.97Å; H256-E286 IonicContact CE1-OE2 3.29Å; H256-E286 PolarHBondContact CE1-OE2 2.99Å; H256-E286 IonicContact ND1-OE1 3.96Å; H256-E286 PolarHBondContact ND1-OE1 2.86Å; H256-E286 IonicContact ND1-OE2 2.72Å |
| 257 | L | 98.2 | Very high | 97.3 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 115.9 | 176.8 | 176.8 | 62.7 | 0 | 0 | 0 | 109.3 | F255 A263 V264 P387 H391 | F255-L257 HydrophobicContact CD2-CB 4.44Å; F255-L257 HydrophobicContact CE2-CB 4.47Å; L257-A263 WeakPolarHBondContact O-CA 3.37Å; L257-V264 PolarHBondContact N-O 2.92Å; L257-V264 PolarHBondContact O-N 2.83Å; L257-P387 HydrophobicContact CD2-CB 4.04Å; L257-P387 WeakPolarHBondContact CD2-O 3.49Å; L257-H391 HydrophobicContact CD2-CB 3.83Å |
| 258 | E | 97.4 | Very high | 97.5 | Very high | 137 Ų | 137 | 43.6 Ų | 43.6 | 64% | 0.64 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.1 | 168.1 | -171.1 | -179.2 | 157.8 | 0 | 0 | 109.2 | E262 A263 | E258-E262 WeakPolarHBondContact CA-O 3.5Å; E258-A263 HydrophobicContact CB-CB 4.4Å; E258-A263 HydrophobicContact CG-CB 4.39Å |
| 259 | K | 96.5 | Very high | 97.6 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138.6 | 178.9 | -178.5 | -174.7 | 174.1 | -172.3 | 0 | 109.7 | G261 E262 H391 | K259-G261 PolarHBondContact O-N 3.07Å; K259-E262 PolarHBondContact N-O 3.32Å; K259-E262 PolarHBondContact O-N 3.22Å; K259-H391 PolarHBondContact O-CE1 3.34Å; K259-H391 PolarHBondContact O-NE2 3.41Å |
| 260 | D | 94.8 | Very high | 97.7 | Very high | 138 Ų | 138 | 42.5 Ų | 42.5 | 74% | 0.738 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.3 | 178.9 | -54.6 | -39.8 | 0 | 0 | 0 | 113.9 | E262 | D260-E262 VanDerWaalsContact C-N 3.26Å; D260-E262 PolarHBondContact O-N 3.38Å |
| 261 | G | 94.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 66% | 0.66 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 7.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K259 | K259-G261 PolarHBondContact O-N 3.07Š|
| 262 | E | 96.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.4 | 179.9 | -62.9 | -63.8 | 173.5 | 0 | 0 | 110.3 | E258 K259 D260 R285 H391 T395 | E258-E262 WeakPolarHBondContact CA-O 3.5Å; K259-E262 PolarHBondContact N-O 3.32Å; K259-E262 PolarHBondContact O-N 3.22Å; D260-E262 VanDerWaalsContact C-N 3.26Å; D260-E262 PolarHBondContact O-N 3.38Å; E262-R285 IonicContact OE1-CZ 3.8Å; E262-R285 IonicContact OE1-NH2 2.72Å; E262-R285 PolarHBondContact OE1-NH2 2.85Å; E262-R285 IonicContact OE2-CZ 3.1Å; E262-R285 IonicContact OE2-NE 2.78Å; E262-R285 PolarHBondContact OE2-NE 3.34Å; E262-R285 IonicContact OE2-NH2 2.71Å; E262-R285 PolarHBondContact OE2-NH2 2.76Å; E262-H391 PolarHBondContact O-NE2 3.18Å; E262-T395 HydrophobicContact CB-CG2 3.94Å; E262-T395 HydrophobicContact CG-CG2 4.1Å |
| 263 | A | 97.3 | Very high | 97.3 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | L257 E258 E286 | L257-A263 WeakPolarHBondContact O-CA 3.37Å; E258-A263 HydrophobicContact CB-CB 4.4Å; E258-A263 HydrophobicContact CG-CB 4.39Å; A263-E286 HydrophobicContact CB-CB 4Å; A263-E286 HydrophobicContact CB-CG 4.38Å; A263-E286 PolarHBondContact O-N 3.29Å |
| 264 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.5 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 108.9 | F255 L257 A283 A284 R285 H391 L394 | F255-V264 HydrophobicContact CE2-CG1 4.25Å; F255-V264 HydrophobicContact CZ-CG1 4.19Å; L257-V264 PolarHBondContact N-O 2.92Å; L257-V264 PolarHBondContact O-N 2.83Å; V264-A283 HydrophobicContact CG1-CB 3.72Å; V264-A284 WeakPolarHBondContact CA-O 3.33Å; V264-R285 HydrophobicContact CG2-CB 4.49Å; V264-H391 HydrophobicContact CG2-CB 4.31Å; V264-L394 HydrophobicContact CB-CD1 4.41Å; V264-L394 HydrophobicContact CG1-CD1 3.67Å; V264-L394 HydrophobicContact CG2-CB 4.33Å; V264-L394 HydrophobicContact CG2-CD1 3.79Å |
| 265 | S | 98 | Very high | 96.7 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 153.6 | 178.2 | -73.2 | 0 | 0 | 0 | 0 | 111.1 | F255 H256 A283 A284 E286 | F255-S265 WeakPolarHBondContact O-CA 3.31Å; H256-S265 PolarHBondContact ND1-OG 3.01Å; S265-A283 WeakPolarHBondContact O-CA 3.26Å; S265-A284 PolarHBondContact N-O 2.93Å; S265-A284 PolarHBondContact O-N 3.03Å; S265-E286 VanDerWaalsContact CB-OE1 3.24Å; S265-E286 WeakPolarHBondContact CB-OE1 3.39Å; S265-E286 PolarHBondContact OG-OE1 2.99Å |
| 266 | G | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176 | -157.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P254 F255 I282 | P254-G266 WeakPolarHBondContact CA-O 3.42Å; F255-G266 VanDerWaalsContact CD1-C 3.45Å; F255-G266 WeakPolarHBondContact CD1-O 3.47Å; F255-G266 VanDerWaalsContact CE1-C 3.48Å; F255-G266 VanDerWaalsContact CE1-CA 3.47Å; F255-G266 PolarHBondContact N-O 2.92Å; F255-G266 PolarHBondContact O-N 3.1Å; F255-G266 VanDerWaalsContact O-N 3.15Å; G266-I282 CarbonylContact C-O 3.6Å; G266-I282 WeakPolarHBondContact CA-O 3.33Å |
| 267 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.2 | 178.8 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | N252 E253 C281 I282 H294 A335 | N252-V267 HydrophobicContact CB-CG1 4.03Å; E253-V267 CarbonylContact O-C 3.17Å; E253-V267 WeakPolarHBondContact O-CA 3.28Å; E253-V267 WeakPolarHBondContact O-CG1 3.38Å; V267-C281 WeakPolarHBondContact O-CA 3.48Å; V267-I282 HydrophobicContact CB-CG1 4.19Å; V267-I282 PolarHBondContact N-O 3.07Å; V267-I282 PolarHBondContact O-N 3.26Å; V267-I282 VanDerWaalsContact O-N 3.11Å; V267-H294 HydrophobicContact CG2-CB 3.78Å; V267-A335 HydrophobicContact CB-CB 3.93Å; V267-A335 HydrophobicContact CG1-CB 3.59Å; V267-A335 HydrophobicContact CG2-CB 4.3Å |
| 268 | L | 98.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.9 | 168.7 | -54.1 | -178 | 0 | 0 | 0 | 109 | N252 E253 F255 T279 L280 C281 P387 | N252-L268 CarbonylContact C-O 3.55Å; N252-L268 WeakPolarHBondContact CA-O 3.42Å; N252-L268 WeakPolarHBondContact CB-O 3.49Å; E253-L268 HydrophobicContact CG-CB 4.01Å; E253-L268 HydrophobicContact CG-CD1 4.17Å; E253-L268 HydrophobicContact CG-CG 4.39Å; E253-L268 PolarHBondContact N-O 3.41Å; E253-L268 PolarHBondContact O-N 3.29Å; F255-L268 HydrophobicContact CB-CD1 4.3Å; F255-L268 HydrophobicContact CB-CG 4.27Å; F255-L268 HydrophobicContact CD1-CD2 3.65Å; F255-L268 HydrophobicContact CD1-CG 3.74Å; F255-L268 HydrophobicContact CE1-CD2 3.89Å; F255-L268 HydrophobicContact CE1-CG 4.46Å; F255-L268 HydrophobicContact CG-CD2 4.24Å; F255-L268 HydrophobicContact CG-CG 4.2Å; L268-T279 HydrophobicContact CB-CG2 3.99Å; L268-T279 HydrophobicContact CD2-CG2 4.4Å; L268-L280 CarbonylContact C-O 3.5Å; L268-L280 WeakPolarHBondContact CA-O 3.48Å; L268-C281 HydrophobicContact CD2-CB 3.8Å; L268-P387 HydrophobicContact CD1-CG 4.03Å; L268-P387 HydrophobicContact CD2-CG 4.11Å |
| 269 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 99.4 | 177.9 | -52.8 | 87.7 | 0 | 0 | 0 | 108.1 | M236 N238 H271 T279 L280 I282 A335 | M236-L269 HydrophobicContact CB-CD2 4.34Å; M236-L269 WeakPolarHBondContact O-CD2 3.29Å; N238-L269 HydrophobicContact CB-CB 3.87Å; N238-L269 HydrophobicContact CB-CD2 3.92Å; N238-L269 HydrophobicContact CB-CG 4.48Å; L269-H271 PolarHBondContact O-N 3.06Å; L269-T279 WeakPolarHBondContact O-CA 3.34Å; L269-L280 HydrophobicContact CB-CB 4.18Å; L269-L280 HydrophobicContact CD1-CB 4.16Å; L269-L280 PolarHBondContact N-O 3.36Å; L269-L280 PolarHBondContact O-N 3.36Å; L269-I282 HydrophobicContact CD1-CG1 4.42Å; L269-A335 HydrophobicContact CD1-CB 4.42Å; L269-A335 HydrophobicContact CD2-CB 3.95Å; L269-A335 HydrophobicContact CG-CB 4.18Å |
| 270 | H | 98.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 12% | 0.116 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 107.1 | -176.1 | -57.7 | -78 | 0 | 0 | 0 | 110.3 | N238 H250 W251 E253 C272 T279 | N238-H270 PolarHBondContact ND2-N 3.04Å; N238-H270 PolarHBondContact ND2-O 3.4Å; N238-H270 PolarHBondContact OD1-O 3.42Å; H250-H270 WeakPolarHBondContact CA-O 3.3Å; W251-H270 HydrophobicContact CD2-CB 4.18Å; W251-H270 AromaticContact CD2-CD2 3.58Å; W251-H270 AromaticContact CE2-CD2 3.4Å; W251-H270 AromaticContact CE2-CG 3.57Å; W251-H270 AromaticContact CE3-CD2 3.64Å; W251-H270 HydrophobicContact CG-CB 4.28Å; W251-H270 AromaticContact CH2-CD2 3.35Å; W251-H270 WeakPolarHBondContact CH2-CD2 3.48Å; W251-H270 AromaticContact CH2-NE2 3.37Å; W251-H270 WeakPolarHBondContact CH2-NE2 3.49Å; W251-H270 HydrophobicContact CZ2-CB 4.16Å; W251-H270 AromaticContact CZ2-CD2 3.28Å; W251-H270 WeakPolarHBondContact CZ2-CD2 3.06Å; W251-H270 AromaticContact CZ2-CG 3.55Å; W251-H270 AromaticContact CZ2-NE2 3.65Å; W251-H270 AromaticContact CZ3-CD2 3.55Å; W251-H270 AromaticContact CZ3-NE2 3.75Å; W251-H270 PolarHBondContact N-O 3.35Å; W251-H270 AromaticContact NE1-CG 3.9Å; W251-H270 WeakPolarHBondContact O-CB 3.34Å; W251-H270 PolarHBondContact O-N 3.23Å; E253-H270 IonicContact OE1-CE1 4Å; E253-H270 IonicContact OE1-NE2 2.69Å; E253-H270 PolarHBondContact OE1-NE2 2.98Å; H270-C272 PolarHBondContact O-N 3.11Å; H270-T279 PolarHBondContact ND1-OG1 3.49Å; H270-T279 VanDerWaalsContact ND1-OG1 3.11Å |
| 271 | H | 98 | Very high | 96.9 | Very high | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 84.3 | 179.4 | -163.8 | 75.7 | 0 | 0 | 0 | 110.2 | N238 D245 H250 L269 T273 Y278 | N238-H271 PolarHBondContact O-ND1 2.99Å; N238-H271 WeakPolarHBondContact OD1-CA 3.3Å; N238-H271 WeakPolarHBondContact OD1-CB 3.36Å; N238-H271 PolarHBondContact OD1-N 2.77Å; N238-H271 PolarHBondContact OD1-ND1 2.78Å; D245-H271 IonicContact OD1-CE1 3.2Å; H250-H271 AromaticContact CE1-CE1 3.58Å; H250-H271 AromaticContact CE1-ND1 3.67Å; H250-H271 AromaticContact ND1-CE1 3.98Å; H250-H271 AromaticContact ND1-CG 3.99Å; H250-H271 AromaticContact ND1-ND1 3.6Å; H250-H271 AromaticContact NE2-CE1 3.9Å; L269-H271 PolarHBondContact O-N 3.06Å; H271-T273 VanDerWaalsContact CD2-CG2 3.49Å; H271-T273 WeakPolarHBondContact CD2-CG2 3.5Å; H271-T273 WeakPolarHBondContact NE2-CG2 3.14Å; H271-T273 PolarHBondContact O-N 3.37Å; H271-Y278 WeakPolarHBondContact CA-O 3.24Å; H271-Y278 HydrophobicContact CB-CD1 4.13Å; H271-Y278 HydrophobicContact CB-CD2 4.06Å; H271-Y278 HydrophobicContact CB-CE1 3.86Å; H271-Y278 HydrophobicContact CB-CE2 3.77Å; H271-Y278 HydrophobicContact CB-CG 4.23Å; H271-Y278 WeakPolarHBondContact CB-O 3.24Å; H271-Y278 AromaticContact CD2-CD1 3.96Å; H271-Y278 AromaticContact CD2-CE1 3.17Å; H271-Y278 WeakPolarHBondContact CD2-CE1 3.28Å; H271-Y278 AromaticContact CD2-CZ 3.43Å; H271-Y278 VanDerWaalsContact CD2-CZ 3.43Å; H271-Y278 PolarHBondContact CD2-OH 3.19Å; H271-Y278 AromaticContact CG-CE1 3.7Å; H271-Y278 AromaticContact CG-CZ 3.55Å; H271-Y278 PolarHBondContact N-O 3.32Å; H271-Y278 PolarHBondContact O-N 3.21Å |
| 272 | C | 96.5 | Very high | 97.1 | Very high | 54 Ų | 54 | 25 Ų | 25 | 37% | 0.365 | 16% | 0.161 | S | C | . | . | trans | -77.3 | 85.7 | -176.6 | -52.8 | 0 | 0 | 0 | 0 | 113 | H250 H270 | H250-C272 PolarHBondContact ND1-N 3.17Å; H250-C272 VanDerWaalsContact ND1-N 3.16Å; H270-C272 PolarHBondContact O-N 3.11Å | ||
| 273 | T | 93.6 | Very high | 97.2 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 18% | 0.184 | 15% | 0.148 | C | C | . | . | trans | -97.3 | 159.2 | 169.9 | 48.4 | 0 | 0 | 0 | 0 | 111.9 | D244 H271 T275 N276 P277 | D244-T273 HydrophobicContact CB-CG2 3.95Å; H271-T273 VanDerWaalsContact CD2-CG2 3.49Å; H271-T273 WeakPolarHBondContact CD2-CG2 3.5Å; H271-T273 WeakPolarHBondContact NE2-CG2 3.14Å; H271-T273 PolarHBondContact O-N 3.37Å; T273-T275 VanDerWaalsContact C-N 3.29Å; T273-T275 WeakPolarHBondContact CB-O 3.32Å; T273-T275 PolarHBondContact O-N 2.96Å; T273-T275 PolarHBondContact OG1-O 3.31Å; T273-N276 PolarHBondContact OG1-O 3Å; T273-P277 WeakPolarHBondContact OG1-CA 3.33Å | ||
| 274 | A | 90.6 | Very high | 97.2 | Very high | 112 Ų | 112 | 21.4 Ų | 21.4 | 93% | 0.926 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -67.2 | -31.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 275 | T | 92.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 23.4 Ų | 23.4 | 52% | 0.521 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -120.6 | 135.3 | 177.8 | -51 | 0 | 0 | 0 | 0 | 108.1 | T273 T363 | T273-T275 VanDerWaalsContact C-N 3.29Å; T273-T275 WeakPolarHBondContact CB-O 3.32Å; T273-T275 PolarHBondContact O-N 2.96Å; T273-T275 PolarHBondContact OG1-O 3.31Å; T275-T363 WeakPolarHBondContact CG2-OG1 3.5Å |
| 276 | N | 95.8 | Very high | 97 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 8% | 0.075 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 46.7 | 59.1 | 178.4 | -57 | -20.4 | 0 | 0 | 0 | 113.1 | N121 T273 M359 I362 T363 | N121-N276 WeakPolarHBondContact OD1-CB 3.39Å; N121-N276 PolarHBondContact OD1-ND2 3.19Å; T273-N276 PolarHBondContact OG1-O 3Å; N276-M359 HydrophobicContact CB-CE 4.17Å; N276-M359 HydrophobicContact CB-CG 4.41Å; N276-M359 HydrophobicContact CB-SD 3.88Å; N276-M359 WeakPolarHBondContact O-CE 3.43Å; N276-I362 WeakPolarHBondContact OD1-CA 3.42Å; N276-T363 PolarHBondContact ND2-O 3.34Å; N276-T363 PolarHBondContact OD1-N 2.9Å; N276-T363 PolarHBondContact OD1-OG1 2.76Å |
| 277 | P | 97 | Very high | 96.7 | Very high | 73 Ų | 73 | 29.1 Ų | 29.1 | 47% | 0.474 | 17% | 0.174 | S | C | . | . | trans | -62.1 | 151.7 | 172.2 | 30.2 | -35.5 | 0 | 0 | 0 | 110.2 | T273 | T273-P277 WeakPolarHBondContact OG1-CA 3.33Š| ||
| 278 | Y | 97.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 159.9 | -179.9 | 63.4 | -86.7 | 0 | 0 | 0 | 112.4 | L120 G239 H271 L280 D358 M359 | L120-Y278 HydrophobicContact CD1-CD2 4.09Å; L120-Y278 HydrophobicContact CD1-CE1 4.23Å; L120-Y278 HydrophobicContact CD1-CE2 3.56Å; G239-Y278 WeakPolarHBondContact CA-OH 3.49Å; H271-Y278 WeakPolarHBondContact CA-O 3.24Å; H271-Y278 HydrophobicContact CB-CD1 4.13Å; H271-Y278 HydrophobicContact CB-CD2 4.06Å; H271-Y278 HydrophobicContact CB-CE1 3.86Å; H271-Y278 HydrophobicContact CB-CE2 3.77Å; H271-Y278 HydrophobicContact CB-CG 4.23Å; H271-Y278 WeakPolarHBondContact CB-O 3.24Å; H271-Y278 AromaticContact CD2-CD1 3.96Å; H271-Y278 AromaticContact CD2-CE1 3.17Å; H271-Y278 WeakPolarHBondContact CD2-CE1 3.28Å; H271-Y278 AromaticContact CD2-CZ 3.43Å; H271-Y278 VanDerWaalsContact CD2-CZ 3.43Å; H271-Y278 PolarHBondContact CD2-OH 3.19Å; H271-Y278 AromaticContact CG-CE1 3.7Å; H271-Y278 AromaticContact CG-CZ 3.55Å; H271-Y278 PolarHBondContact N-O 3.32Å; H271-Y278 PolarHBondContact O-N 3.21Å; Y278-L280 HydrophobicContact CD2-CD2 3.76Å; Y278-L280 HydrophobicContact CD2-CG 3.93Å; Y278-L280 HydrophobicContact CE2-CD1 4.09Å; Y278-L280 HydrophobicContact CE2-CD2 3.6Å; Y278-L280 HydrophobicContact CE2-CG 3.62Å; Y278-D358 CarbonylContact C-O 3.31Å; Y278-D358 WeakPolarHBondContact CA-O 3.34Å; Y278-D358 VanDerWaalsContact CB-O 3.29Å; Y278-D358 WeakPolarHBondContact CB-O 3.47Å; Y278-M359 HydrophobicContact CD1-CE 3.39Å; Y278-M359 HydrophobicContact CE1-CE 4.19Å; Y278-M359 HydrophobicContact CG-CE 3.81Å |
| 279 | T | 98.6 | Very high | 96 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.6 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | L268 L269 H270 W357 D358 S386 | L268-T279 HydrophobicContact CB-CG2 3.99Å; L268-T279 HydrophobicContact CD2-CG2 4.4Å; L269-T279 WeakPolarHBondContact O-CA 3.34Å; H270-T279 PolarHBondContact ND1-OG1 3.49Å; H270-T279 VanDerWaalsContact ND1-OG1 3.11Å; T279-W357 WeakPolarHBondContact O-CA 3.34Å; T279-D358 PolarHBondContact N-O 2.83Å; T279-D358 PolarHBondContact O-N 2.85Å; T279-S386 PolarHBondContact O-OG 2.77Å |
| 280 | L | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 155.5 | 167.2 | -55.4 | 176.6 | 0 | 0 | 0 | 109.8 | L120 L268 L269 Y278 A356 W357 | L120-L280 HydrophobicContact CD1-CD2 4.33Å; L268-L280 CarbonylContact C-O 3.5Å; L268-L280 WeakPolarHBondContact CA-O 3.48Å; L269-L280 HydrophobicContact CB-CB 4.18Å; L269-L280 HydrophobicContact CD1-CB 4.16Å; L269-L280 PolarHBondContact N-O 3.36Å; L269-L280 PolarHBondContact O-N 3.36Å; Y278-L280 HydrophobicContact CD2-CD2 3.76Å; Y278-L280 HydrophobicContact CD2-CG 3.93Å; Y278-L280 HydrophobicContact CE2-CD1 4.09Å; Y278-L280 HydrophobicContact CE2-CD2 3.6Å; Y278-L280 HydrophobicContact CE2-CG 3.62Å; L280-A356 CarbonylContact C-O 3.48Å; L280-A356 WeakPolarHBondContact CA-O 3.48Å; L280-W357 HydrophobicContact CD2-CB 3.46Å; L280-W357 VanDerWaalsContact CD2-CB 3.46Å; L280-W357 HydrophobicContact CD2-CG 4.48Å |
| 281 | C | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 125.6 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110 | F255 V267 L268 L355 A356 | F255-C281 WeakPolarHBondContact CE1-SG 3.33Å; V267-C281 WeakPolarHBondContact O-CA 3.48Å; L268-C281 HydrophobicContact CD2-CB 3.8Å; C281-L355 WeakPolarHBondContact O-CA 3.14Å; C281-A356 HydrophobicContact CB-CB 4.38Å; C281-A356 PolarHBondContact N-O 3.11Å; C281-A356 PolarHBondContact O-N 2.84Å |
| 282 | I | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.4 | 162.3 | 58.2 | 178.8 | 0 | 0 | 0 | 107.8 | F234 M236 G266 V267 L269 A335 L337 C354 L355 | F234-I282 HydrophobicContact CD1-CB 4.21Å; F234-I282 HydrophobicContact CD1-CG2 3.88Å; F234-I282 HydrophobicContact CE1-CB 4.36Å; F234-I282 HydrophobicContact CE1-CG2 3.64Å; F234-I282 HydrophobicContact CZ-CG2 4.16Å; M236-I282 HydrophobicContact CB-CG2 3.94Å; M236-I282 HydrophobicContact CG-CG2 3.49Å; M236-I282 VanDerWaalsContact CG-CG2 3.49Å; G266-I282 CarbonylContact C-O 3.6Å; G266-I282 WeakPolarHBondContact CA-O 3.33Å; V267-I282 HydrophobicContact CB-CG1 4.19Å; V267-I282 PolarHBondContact N-O 3.07Å; V267-I282 PolarHBondContact O-N 3.26Å; V267-I282 VanDerWaalsContact O-N 3.11Å; L269-I282 HydrophobicContact CD1-CG1 4.42Å; I282-A335 HydrophobicContact CD1-CB 4.07Å; I282-L337 HydrophobicContact CB-CD2 4.47Å; I282-L337 HydrophobicContact CD1-CB 3.8Å; I282-L337 HydrophobicContact CG1-CB 4.13Å; I282-C354 WeakPolarHBondContact CA-O 3.2Å; I282-L355 HydrophobicContact CG2-CD1 4.22Å |
| 283 | A | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F255 V264 S265 F353 C354 L394 | F255-A283 HydrophobicContact CE1-CB 4.25Å; F255-A283 HydrophobicContact CZ-CB 3.78Å; V264-A283 HydrophobicContact CG1-CB 3.72Å; S265-A283 WeakPolarHBondContact O-CA 3.26Å; A283-F353 CarbonylContact O-C 3.58Å; A283-F353 VanDerWaalsContact O-CA 3.29Å; A283-F353 WeakPolarHBondContact O-CA 3.47Å; A283-C354 HydrophobicContact CB-CB 4.44Å; A283-C354 PolarHBondContact N-O 2.94Å; A283-C354 PolarHBondContact O-N 3Å; A283-L394 HydrophobicContact CB-CD1 4.32Å |
| 284 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | V264 S265 V292 L337 V339 E352 | V264-A284 WeakPolarHBondContact CA-O 3.33Å; S265-A284 PolarHBondContact N-O 2.93Å; S265-A284 PolarHBondContact O-N 3.03Å; A284-V292 HydrophobicContact CB-CG1 4.26Å; A284-V292 HydrophobicContact CB-CG2 4.21Å; A284-L337 HydrophobicContact CB-CD2 3.92Å; A284-V339 HydrophobicContact CB-CG2 3.33Å; A284-E352 WeakPolarHBondContact CB-O 3.38Å |
| 285 | R | 95.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.7 | 176.4 | -172.1 | 172.8 | 174.6 | -179.9 | -3.7 | 110 | E262 V264 Q287 L394 | E262-R285 IonicContact OE1-CZ 3.8Å; E262-R285 IonicContact OE1-NH2 2.72Å; E262-R285 PolarHBondContact OE1-NH2 2.85Å; E262-R285 IonicContact OE2-CZ 3.1Å; E262-R285 IonicContact OE2-NE 2.78Å; E262-R285 PolarHBondContact OE2-NE 3.34Å; E262-R285 IonicContact OE2-NH2 2.71Å; E262-R285 PolarHBondContact OE2-NH2 2.76Å; V264-R285 HydrophobicContact CG2-CB 4.49Å; R285-Q287 HydrophobicContact CG-CG 4.27Å; R285-L394 HydrophobicContact CB-CD1 4.42Å |
| 286 | E | 94.8 | Very high | 96.5 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.3 | 172.3 | -63.5 | -169.8 | 178.5 | 0 | 0 | 109.7 | H256 A263 S265 V292 | H256-E286 IonicContact CE1-OE1 2.97Å; H256-E286 IonicContact CE1-OE2 3.29Å; H256-E286 PolarHBondContact CE1-OE2 2.99Å; H256-E286 IonicContact ND1-OE1 3.96Å; H256-E286 PolarHBondContact ND1-OE1 2.86Å; H256-E286 IonicContact ND1-OE2 2.72Å; A263-E286 HydrophobicContact CB-CB 4Å; A263-E286 HydrophobicContact CB-CG 4.38Å; A263-E286 PolarHBondContact O-N 3.29Å; S265-E286 VanDerWaalsContact CB-OE1 3.24Å; S265-E286 WeakPolarHBondContact CB-OE1 3.39Å; S265-E286 PolarHBondContact OG-OE1 2.99Å; E286-V292 HydrophobicContact CG-CG2 4.24Å |
| 287 | Q | 93.2 | Very high | 96.6 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | trans | -141 | 152.5 | 179.1 | -63.6 | 176.3 | -29.4 | 0 | 0 | 108.5 | R285 D289 R290 | R285-Q287 HydrophobicContact CG-CG 4.27Å; Q287-D289 PolarHBondContact O-N 2.7Å; Q287-D289 VanDerWaalsContact O-N 3.12Å; Q287-R290 HydrophobicContact CB-CB 4.05Å; Q287-R290 HydrophobicContact CB-CG 3.76Å; Q287-R290 HydrophobicContact CG-CG 4.45Å; Q287-R290 PolarHBondContact O-N 3.27Å | ||
| 288 | A | 89.4 | Confident | 96.6 | Very high | 120 Ų | 120 | 33 Ų | 33 | 99% | 0.992 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 289 | D | 92.2 | Very high | 96.4 | Very high | 93 Ų | 93 | 35.3 Ų | 35.3 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 16.8 | 178.6 | 72.3 | -35.7 | 0 | 0 | 0 | 112.8 | Q287 | Q287-D289 PolarHBondContact O-N 2.7Å; Q287-D289 VanDerWaalsContact O-N 3.12Å |
| 290 | R | 93.9 | Very high | 96.1 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | trans | -127.7 | 147 | 178.5 | -61.7 | -64.2 | -179.7 | -93.2 | -8.2 | 110 | Q287 V339 S340 N349 S350 L351 | Q287-R290 HydrophobicContact CB-CB 4.05Å; Q287-R290 HydrophobicContact CB-CG 3.76Å; Q287-R290 HydrophobicContact CG-CG 4.45Å; Q287-R290 PolarHBondContact O-N 3.27Å; R290-V339 HydrophobicContact CB-CG1 4.37Å; R290-S340 WeakPolarHBondContact CA-O 3.47Å; R290-N349 PolarHBondContact NH1-ND2 3.46Å; R290-N349 VanDerWaalsContact NH1-ND2 3.1Å; R290-N349 PolarHBondContact NH2-ND2 2.85Å; R290-N349 PolarHBondContact NH2-OD1 2.74Å; R290-S350 PolarHBondContact NE-O 3.38Å; R290-S350 VanDerWaalsContact NE-O 3.11Å; R290-S350 PolarHBondContact NH2-O 3.33Å; R290-L351 VanDerWaalsContact CD-CD2 3.43Å; R290-L351 VanDerWaalsContact NE-CD2 3.33Å | ||
| 291 | E | 95.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 31% | 0.308 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.1 | 173.8 | 157.8 | -173.1 | -97.1 | 0 | 0 | 108.9 | R316 V339 S340 | E291-R316 VanDerWaalsContact CD-CD 3.43Å; E291-R316 VanDerWaalsContact CD-CZ 3.48Å; E291-R316 WeakPolarHBondContact OE1-CD 3.44Å; E291-R316 IonicContact OE1-CZ 3.79Å; E291-R316 IonicContact OE1-NE 3.38Å; E291-R316 PolarHBondContact OE1-NE 3.23Å; E291-R316 IonicContact OE1-NH1 2.52Å; E291-R316 PolarHBondContact OE1-NH1 3.4Å; E291-R316 IonicContact OE1-NH2 3.26Å; E291-R316 VanDerWaalsContact OE2-CD 3.31Å; E291-R316 WeakPolarHBondContact OE2-CD 3.28Å; E291-R316 VanDerWaalsContact OE2-CG 3.3Å; E291-R316 WeakPolarHBondContact OE2-CG 3.13Å; E291-R316 IonicContact OE2-NE 3.83Å; E291-V339 CarbonylContact O-C 3.49Å; E291-V339 WeakPolarHBondContact O-CA 3.37Å; E291-S340 VanDerWaalsContact CB-OG 3.27Å; E291-S340 WeakPolarHBondContact CB-OG 3.32Å; E291-S340 PolarHBondContact N-O 2.91Å; E291-S340 VanDerWaalsContact N-O 3.16Å; E291-S340 PolarHBondContact O-N 2.88Å; E291-S340 PolarHBondContact O-OG 2.84Å; E291-S340 PolarHBondContact OE2-OG 3.14Å |
| 292 | V | 97.8 | Very high | 95.2 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.1 | -179.6 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | A284 E286 L337 V339 | A284-V292 HydrophobicContact CB-CG1 4.26Å; A284-V292 HydrophobicContact CB-CG2 4.21Å; E286-V292 HydrophobicContact CG-CG2 4.24Å; V292-L337 HydrophobicContact CG1-CD1 3.61Å; V292-V339 HydrophobicContact CG2-CG1 4.44Å; V292-V339 HydrophobicContact CG2-CG2 4.4Å |
| 293 | S | 98.2 | Very high | 94.9 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.7 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | L317 L337 A338 | S293-L317 WeakPolarHBondContact CB-O 3.43Å; S293-L317 PolarHBondContact OG-N 3.49Å; S293-L337 WeakPolarHBondContact O-CD1 3.49Å; S293-A338 PolarHBondContact N-O 3.47Å; S293-A338 PolarHBondContact O-N 3.4Å; S293-A338 VanDerWaalsContact O-O 3.11Å |
| 294 | H | 98.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 169.7 | -175.3 | 61.3 | -89.7 | 0 | 0 | 0 | 110.9 | P254 V267 T296 L317 S319 A336 L337 | P254-H294 WeakPolarHBondContact CB-NE2 3.42Å; V267-H294 HydrophobicContact CG2-CB 3.78Å; H294-T296 PolarHBondContact CD2-OG1 2.86Å; H294-L317 VanDerWaalsContact O-CB 3.31Å; H294-L317 WeakPolarHBondContact O-CB 3.28Å; H294-S319 PolarHBondContact CD2-OG 3.33Å; H294-S319 VanDerWaalsContact O-CB 3.28Å; H294-S319 WeakPolarHBondContact O-CB 3.46Å; H294-A336 CarbonylContact C-O 3.58Å; H294-A336 WeakPolarHBondContact CA-O 3.22Å; H294-A336 WeakPolarHBondContact CB-O 3.24Å; H294-L337 HydrophobicContact CB-CD1 4.25Å |
| 295 | Q | 98.2 | Very high | 94.4 | Very high | 34 Ų | 34 | 49.5 Ų | 49.5 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 110.5 | 160.6 | 175 | 63.9 | -65.7 | 0 | 0 | 106.8 | A297 F298 L307 D318 S319 P320 A335 A336 | Q295-A297 VanDerWaalsContact C-N 3.28Å; Q295-A297 PolarHBondContact O-N 2.93Å; Q295-F298 HydrophobicContact CG-CB 4.39Å; Q295-F298 HydrophobicContact CG-CD1 4.49Å; Q295-L307 HydrophobicContact CB-CD1 3.8Å; Q295-L307 HydrophobicContact CG-CD1 4.02Å; Q295-D318 PolarHBondContact NE2-O 2.96Å; Q295-D318 PolarHBondContact OE1-O 2.63Å; Q295-S319 PolarHBondContact OE1-OG 3.1Å; Q295-P320 VanDerWaalsContact OE1-CD 3.29Å; Q295-A335 WeakPolarHBondContact O-CA 3.13Å; Q295-A336 HydrophobicContact CB-CB 4.16Å; Q295-A336 PolarHBondContact N-O 2.67Å; Q295-A336 PolarHBondContact O-N 3.22Å |
| 296 | T | 98.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | -42.9 | -172.3 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | N252 H294 S319 | N252-T296 HydrophobicContact CB-CG2 4.14Å; N252-T296 VanDerWaalsContact CB-O 3.22Å; N252-T296 WeakPolarHBondContact CB-O 3.36Å; N252-T296 PolarHBondContact ND2-O 3.41Å; H294-T296 PolarHBondContact CD2-OG1 2.86Å; T296-S319 PolarHBondContact N-OG 3.44Å; T296-S319 PolarHBondContact OG1-OG 2.87Å |
| 297 | A | 97.2 | Very high | 94.5 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 131.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q295 V333 A334 | Q295-A297 VanDerWaalsContact C-N 3.28Å; Q295-A297 PolarHBondContact O-N 2.93Å; A297-V333 HydrophobicContact CB-CG2 3.66Å; A297-A334 CarbonylContact C-O 3.58Å; A297-A334 VanDerWaalsContact CA-O 3.3Å; A297-A334 WeakPolarHBondContact CA-O 3.42Å |
| 298 | F | 96 | Very high | 94.7 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.7 | 162.9 | 74 | -82 | 0 | 0 | 0 | 110.4 | W162 T235 Q295 P300 L307 A334 A336 | W162-F298 HydrophobicContact CZ2-CE2 4.47Å; T235-F298 HydrophobicContact CG2-CE1 4.44Å; T235-F298 HydrophobicContact CG2-CZ 4.33Å; Q295-F298 HydrophobicContact CG-CB 4.39Å; Q295-F298 HydrophobicContact CG-CD1 4.49Å; F298-P300 HydrophobicContact CE2-CB 4.39Å; F298-P300 WeakPolarHBondContact O-CD 3.19Å; F298-L307 HydrophobicContact CD1-CD2 3.97Å; F298-L307 HydrophobicContact CD2-CD2 4.31Å; F298-L307 HydrophobicContact CE1-CD2 3.75Å; F298-L307 HydrophobicContact CE2-CD2 4.12Å; F298-L307 HydrophobicContact CG-CD2 4.24Å; F298-L307 HydrophobicContact CZ-CD2 3.83Å; F298-A334 HydrophobicContact CD1-CB 4.01Å; F298-A334 WeakPolarHBondContact CD1-O 3.28Å; F298-A334 HydrophobicContact CD2-CB 4.46Å; F298-A334 HydrophobicContact CE1-CB 3.51Å; F298-A334 HydrophobicContact CE2-CB 4.01Å; F298-A334 HydrophobicContact CG-CB 4.46Å; F298-A334 HydrophobicContact CZ-CB 3.51Å; F298-A334 PolarHBondContact N-O 3.39Å; F298-A334 PolarHBondContact O-N 2.89Å; F298-A336 HydrophobicContact CE1-CB 4.28Å |
| 299 | S | 94.2 | Very high | 95 | Very high | 62 Ų | 62 | 42.7 Ų | 42.7 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | trans | -81 | 124.1 | 172.1 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | K301 C304 | S299-K301 PolarHBondContact O-N 3.38Å; S299-K301 VanDerWaalsContact O-N 3.14Å; S299-K301 PolarHBondContact OG-N 2.88Å; S299-C304 PolarHBondContact O-SG 3.27Å | ||
| 300 | P | 93 | Very high | 95.3 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | trans | -77 | 10.4 | 175.1 | 32.8 | -35.7 | 0 | 0 | 0 | 112.8 | A132 V237 F298 K332 A334 | A132-P300 HydrophobicContact CB-CB 3.96Å; V237-P300 HydrophobicContact CG2-CB 4.43Å; V237-P300 HydrophobicContact CG2-CG 4.36Å; F298-P300 HydrophobicContact CE2-CB 4.39Å; F298-P300 WeakPolarHBondContact O-CD 3.19Å; P300-K332 HydrophobicContact CG-CB 3.96Å; P300-A334 HydrophobicContact CB-CB 4.3Å; P300-A334 HydrophobicContact CG-CB 4.3Å | ||
| 301 | K | 89.1 | Confident | 95.5 | Very high | 113 Ų | 113 | 38.2 Ų | 38.2 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89.8 | 145.1 | 175.3 | -64.6 | -179.2 | -177.3 | 171.5 | 0 | 110.3 | S299 G330 | S299-K301 PolarHBondContact O-N 3.38Å; S299-K301 VanDerWaalsContact O-N 3.14Å; S299-K301 PolarHBondContact OG-N 2.88Å; K301-G330 PolarHBondContact NZ-O 3.44Å |
| 302 | G | 89.3 | Confident | 95.5 | Very high | 46 Ų | 46 | 38.2 Ų | 38.2 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 85.4 | -151.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L159 | L159-G302 PolarHBondContact N-O 2.98Š|
| 303 | T | 90.7 | Very high | 95.5 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | trans | -82.5 | -26.7 | -174.9 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | L159 Q160 G161 S305 | L159-T303 CarbonylContact C-O 3.44Å; L159-T303 VanDerWaalsContact C-O 3.32Å; L159-T303 WeakPolarHBondContact CA-O 3.22Å; Q160-T303 HydrophobicContact CB-CG2 4.46Å; G161-T303 WeakPolarHBondContact CA-O 3.46Å; G161-T303 PolarHBondContact N-O 3.42Å; T303-S305 WeakPolarHBondContact CB-OG 3.41Å; T303-S305 PolarHBondContact O-N 3.12Å; T303-S305 PolarHBondContact OG1-N 3.15Å; T303-S305 PolarHBondContact OG1-OG 3.1Å | ||
| 304 | C | 93.6 | Very high | 95.4 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | trans | 51.4 | 33.8 | -173.9 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | L159 W162 S299 G306 W308 | L159-C304 HydrophobicContact CD2-CB 3.62Å; L159-C304 WeakPolarHBondContact CD2-SG 3.38Å; W162-C304 HydrophobicContact CZ2-CB 4.35Å; W162-C304 PolarHBondContact NE1-O 2.93Å; W162-C304 VanDerWaalsContact NE1-O 3.08Å; S299-C304 PolarHBondContact O-SG 3.27Å; C304-G306 PolarHBondContact O-N 3.11Å; C304-W308 PolarHBondContact O-N 3.43Å | ||
| 305 | S | 94.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 179.5 | -54.3 | 0 | 0 | 0 | 0 | 113.1 | T303 W308 S309 | T303-S305 WeakPolarHBondContact CB-OG 3.41Å; T303-S305 PolarHBondContact O-N 3.12Å; T303-S305 PolarHBondContact OG1-N 3.15Å; T303-S305 PolarHBondContact OG1-OG 3.1Å; S305-W308 PolarHBondContact O-N 3.05Å; S305-S309 WeakPolarHBondContact O-CB 3.27Å; S305-S309 PolarHBondContact O-N 3.13Å; S305-S309 PolarHBondContact O-OG 2.72Å; S305-S309 VanDerWaalsContact O-OG 3.09Å |
| 306 | G | 95.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.3 | -55.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C304 W308 S309 D310 | C304-G306 PolarHBondContact O-N 3.11Å; G306-W308 VanDerWaalsContact C-N 3.26Å; G306-W308 PolarHBondContact O-N 2.9Å; G306-S309 PolarHBondContact O-N 2.95Å; G306-D310 WeakPolarHBondContact O-CB 3.27Å; G306-D310 PolarHBondContact O-N 3.33Å |
| 307 | L | 96.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 177.6 | -175.8 | 69.2 | 0 | 0 | 0 | 112.5 | W162 M233 T235 Q295 F298 L311 L317 A336 | W162-L307 HydrophobicContact CZ2-CD2 4.02Å; M233-L307 HydrophobicContact CE-CD2 4.46Å; M233-L307 HydrophobicContact SD-CD1 4.4Å; M233-L307 HydrophobicContact SD-CD2 4.12Å; M233-L307 HydrophobicContact SD-CG 4.12Å; T235-L307 HydrophobicContact CG2-CD2 4.25Å; Q295-L307 HydrophobicContact CB-CD1 3.8Å; Q295-L307 HydrophobicContact CG-CD1 4.02Å; F298-L307 HydrophobicContact CD1-CD2 3.97Å; F298-L307 HydrophobicContact CD2-CD2 4.31Å; F298-L307 HydrophobicContact CE1-CD2 3.75Å; F298-L307 HydrophobicContact CE2-CD2 4.12Å; F298-L307 HydrophobicContact CG-CD2 4.24Å; F298-L307 HydrophobicContact CZ-CD2 3.83Å; L307-L311 PolarHBondContact O-N 3.43Å; L307-L317 HydrophobicContact CD1-CD1 4.39Å; L307-L317 HydrophobicContact CD1-CD2 3.7Å; L307-A336 HydrophobicContact CD1-CB 4.08Å; L307-A336 HydrophobicContact CD2-CB 4.02Å |
| 308 | W | 97.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.3 | -44.9 | 179 | -175.9 | -95.9 | 0 | 0 | 0 | 112.7 | T136 Q148 V150 G161 W162 N163 C304 S305 G306 D310 I312 | T136-W308 HydrophobicContact CG2-CE3 4.4Å; T136-W308 HydrophobicContact CG2-CH2 3.98Å; T136-W308 HydrophobicContact CG2-CZ3 3.51Å; Q148-W308 HydrophobicContact CB-CH2 4.28Å; Q148-W308 HydrophobicContact CB-CZ2 3.94Å; Q148-W308 HydrophobicContact CG-CH2 3.62Å; Q148-W308 HydrophobicContact CG-CZ2 3.65Å; Q148-W308 HydrophobicContact CG-CZ3 4.18Å; Q148-W308 VanDerWaalsContact NE2-CE3 3.31Å; Q148-W308 PolarHBondContact NE2-O 2.84Å; Q148-W308 VanDerWaalsContact NE2-O 3.16Å; V150-W308 HydrophobicContact CG2-CH2 4.05Å; V150-W308 HydrophobicContact CG2-CZ3 3.62Å; G161-W308 VanDerWaalsContact O-CD1 3.22Å; W162-W308 HydrophobicContact CB-CD2 3.93Å; W162-W308 HydrophobicContact CB-CE3 3.44Å; W162-W308 VanDerWaalsContact CB-CE3 3.44Å; W162-W308 HydrophobicContact CB-CH2 4.31Å; W162-W308 HydrophobicContact CB-CZ3 3.64Å; W162-W308 AromaticContact CD1-CD2 3.95Å; W162-W308 AromaticContact CD1-CE3 3.67Å; W162-W308 AromaticContact CD1-CG 3.94Å; W162-W308 HydrophobicContact CD2-CE3 4.02Å; W162-W308 HydrophobicContact CD2-CZ3 4.46Å; W162-W308 HydrophobicContact CG-CB 4.45Å; W162-W308 HydrophobicContact CG-CD2 4.03Å; W162-W308 AromaticContact CG-CE3 3.42Å; W162-W308 HydrophobicContact CG-CE3 3.42Å; W162-W308 VanDerWaalsContact CG-CE3 3.42Å; W162-W308 HydrophobicContact CG-CG 4.48Å; W162-W308 HydrophobicContact CG-CZ3 4Å; N163-W308 HydrophobicContact CB-CH2 3.71Å; N163-W308 HydrophobicContact CB-CZ2 3.41Å; N163-W308 VanDerWaalsContact CB-CZ2 3.41Å; N163-W308 VanDerWaalsContact N-CH2 3.29Å; C304-W308 PolarHBondContact O-N 3.43Å; S305-W308 PolarHBondContact O-N 3.05Å; G306-W308 VanDerWaalsContact C-N 3.26Å; G306-W308 PolarHBondContact O-N 2.9Å; W308-D310 VanDerWaalsContact C-N 3.35Å; W308-I312 WeakPolarHBondContact O-CG1 3.39Å; W308-I312 PolarHBondContact O-N 3.32Å |
| 309 | S | 97.1 | Very high | 95 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 43% | 0.427 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.7 | -32.5 | 178.7 | -66 | 0 | 0 | 0 | 0 | 112.7 | S305 G306 I312 T313 | S305-S309 WeakPolarHBondContact O-CB 3.27Å; S305-S309 PolarHBondContact O-N 3.13Å; S305-S309 PolarHBondContact O-OG 2.72Å; S305-S309 VanDerWaalsContact O-OG 3.09Å; G306-S309 PolarHBondContact O-N 2.95Å; S309-I312 PolarHBondContact O-N 2.99Å; S309-T313 PolarHBondContact O-N 3.39Å; S309-T313 VanDerWaalsContact O-N 3.1Å; S309-T313 PolarHBondContact O-OG1 2.72Å |
| 310 | D | 97.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.2 | -58 | 173.7 | -170.5 | 25.7 | 0 | 0 | 0 | 110.3 | G306 W308 I312 T313 L317 D318 | G306-D310 WeakPolarHBondContact O-CB 3.27Å; G306-D310 PolarHBondContact O-N 3.33Å; W308-D310 VanDerWaalsContact C-N 3.35Å; D310-I312 VanDerWaalsContact C-N 3.26Å; D310-I312 PolarHBondContact O-N 3.33Å; D310-I312 VanDerWaalsContact O-N 3.16Å; D310-T313 VanDerWaalsContact O-CB 3.32Å; D310-T313 WeakPolarHBondContact O-CB 3.44Å; D310-T313 PolarHBondContact O-N 3.14Å; D310-L317 WeakPolarHBondContact OD2-CA 3.4Å; D310-D318 PolarHBondContact OD2-N 2.83Å |
| 311 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.7 | -33.7 | 176.7 | -168.1 | 70.3 | 0 | 0 | 0 | 113.6 | T136 C138 M233 L307 T313 G315 R316 L317 A338 | T136-L311 HydrophobicContact CG2-CD2 4.27Å; C138-L311 HydrophobicContact CB-CD2 4.12Å; C138-L311 HydrophobicContact CB-CG 4.12Å; M233-L311 HydrophobicContact CB-CD2 3.86Å; M233-L311 HydrophobicContact CE-CD2 4.33Å; M233-L311 HydrophobicContact SD-CD2 4.23Å; L307-L311 PolarHBondContact O-N 3.43Å; L311-T313 VanDerWaalsContact C-N 3.28Å; L311-T313 PolarHBondContact O-N 2.9Å; L311-G315 WeakPolarHBondContact O-CA 3.22Å; L311-G315 PolarHBondContact O-N 3.21Å; L311-R316 WeakPolarHBondContact CA-O 3.44Å; L311-L317 HydrophobicContact CB-CD2 4.12Å; L311-L317 HydrophobicContact CD1-CD2 4.17Å; L311-L317 HydrophobicContact CD1-CG 4.5Å; L311-A338 HydrophobicContact CD1-CB 4.09Å |
| 312 | I | 96.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 175.5 | -76.8 | 177.6 | 0 | 0 | 0 | 111.5 | R140 T145 Q148 W308 S309 D310 | R140-I312 PolarHBondContact NH1-O 2.76Å; T145-I312 WeakPolarHBondContact CB-O 3.49Å; T145-I312 HydrophobicContact CG2-CG1 4.49Å; T145-I312 PolarHBondContact OG1-O 2.87Å; Q148-I312 HydrophobicContact CB-CG1 4.42Å; Q148-I312 VanDerWaalsContact OE1-CG1 3.24Å; W308-I312 WeakPolarHBondContact O-CG1 3.39Å; W308-I312 PolarHBondContact O-N 3.32Å; S309-I312 PolarHBondContact O-N 2.99Å; D310-I312 VanDerWaalsContact C-N 3.26Å; D310-I312 PolarHBondContact O-N 3.33Å; D310-I312 VanDerWaalsContact O-N 3.16Å |
| 313 | T | 96.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 54.4 Ų | 54.4 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.4 | -54.1 | -168.8 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | R140 S309 D310 L311 | R140-T313 PolarHBondContact NH1-O 3.05Å; R140-T313 PolarHBondContact NH2-O 2.79Å; S309-T313 PolarHBondContact O-N 3.39Å; S309-T313 VanDerWaalsContact O-N 3.1Å; S309-T313 PolarHBondContact O-OG1 2.72Å; D310-T313 VanDerWaalsContact O-CB 3.32Å; D310-T313 WeakPolarHBondContact O-CB 3.44Å; D310-T313 PolarHBondContact O-N 3.14Å; L311-T313 VanDerWaalsContact C-N 3.28Å; L311-T313 PolarHBondContact O-N 2.9Å |
| 314 | D | 96.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -133.3 | -2.9 | -174.1 | 66.4 | -1.4 | 0 | 0 | 0 | 114.7 | R140 R316 | R140-D314 VanDerWaalsContact NE-C 3.34Å; R140-D314 PolarHBondContact NE-O 2.84Å; D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 WeakPolarHBondContact OD1-CA 3.29Å; D314-R316 WeakPolarHBondContact OD1-CB 3.36Å; D314-R316 PolarHBondContact OD1-N 3.22Å |
| 315 | G | 96 | Very high | 95.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 83.9 | 7.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S231 L311 | S231-G315 VanDerWaalsContact CB-O 3.28Å; S231-G315 WeakPolarHBondContact CB-O 3.43Å; S231-G315 PolarHBondContact OG-O 2.93Å; L311-G315 WeakPolarHBondContact O-CA 3.22Å; L311-G315 PolarHBondContact O-N 3.21Å |
| 316 | R | 96.8 | Very high | 95.7 | Very high | 97 Ų | 97 | 57.9 Ų | 57.9 | 37% | 0.366 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -119.3 | 172.6 | -179.3 | -55.4 | 176.9 | 58 | 150.8 | 1.7 | 110.3 | E291 L311 D314 | E291-R316 VanDerWaalsContact CD-CD 3.43Å; E291-R316 VanDerWaalsContact CD-CZ 3.48Å; E291-R316 WeakPolarHBondContact OE1-CD 3.44Å; E291-R316 IonicContact OE1-CZ 3.79Å; E291-R316 IonicContact OE1-NE 3.38Å; E291-R316 PolarHBondContact OE1-NE 3.23Å; E291-R316 IonicContact OE1-NH1 2.52Å; E291-R316 PolarHBondContact OE1-NH1 3.4Å; E291-R316 IonicContact OE1-NH2 3.26Å; E291-R316 VanDerWaalsContact OE2-CD 3.31Å; E291-R316 WeakPolarHBondContact OE2-CD 3.28Å; E291-R316 VanDerWaalsContact OE2-CG 3.3Å; E291-R316 WeakPolarHBondContact OE2-CG 3.13Å; E291-R316 IonicContact OE2-NE 3.83Å; L311-R316 WeakPolarHBondContact CA-O 3.44Å; D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 WeakPolarHBondContact OD1-CA 3.29Å; D314-R316 WeakPolarHBondContact OD1-CB 3.36Å; D314-R316 PolarHBondContact OD1-N 3.22Å |
| 317 | L | 97.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | trans | -118.3 | 133.2 | 173.2 | -61.7 | 178.6 | 0 | 0 | 0 | 110.5 | M233 S293 H294 L307 D310 L311 A336 A338 | M233-L317 HydrophobicContact CG-CD1 4.17Å; M233-L317 HydrophobicContact SD-CD1 4.09Å; M233-L317 HydrophobicContact SD-CD2 4.08Å; S293-L317 WeakPolarHBondContact CB-O 3.43Å; S293-L317 PolarHBondContact OG-N 3.49Å; H294-L317 VanDerWaalsContact O-CB 3.31Å; H294-L317 WeakPolarHBondContact O-CB 3.28Å; L307-L317 HydrophobicContact CD1-CD1 4.39Å; L307-L317 HydrophobicContact CD1-CD2 3.7Å; D310-L317 WeakPolarHBondContact OD2-CA 3.4Å; L311-L317 HydrophobicContact CB-CD2 4.12Å; L311-L317 HydrophobicContact CD1-CD2 4.17Å; L311-L317 HydrophobicContact CD1-CG 4.5Å; L317-A336 HydrophobicContact CD1-CB 3.69Å; L317-A338 HydrophobicContact CD1-CB 3.75Å; L317-A338 HydrophobicContact CG-CB 3.79Å | ||
| 318 | D | 95.2 | Very high | 95.9 | Very high | 110 Ų | 110 | 62.1 Ų | 62.1 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | trans | -92.7 | 128.3 | 172.8 | -78 | -23.2 | 0 | 0 | 0 | 110.5 | Q295 D310 | Q295-D318 PolarHBondContact NE2-O 2.96Å; Q295-D318 PolarHBondContact OE1-O 2.63Å; D310-D318 PolarHBondContact OD2-N 2.83Å | ||
| 319 | S | 93.7 | Very high | 95.8 | Very high | 37 Ų | 37 | 69.8 Ų | 69.8 | 26% | 0.259 | 40% | 0.401 | S | S | . | . | trans | -125.4 | 140.7 | 178.9 | -164.9 | 0 | 0 | 0 | 0 | 112.6 | H294 Q295 T296 | H294-S319 PolarHBondContact CD2-OG 3.33Å; H294-S319 VanDerWaalsContact O-CB 3.28Å; H294-S319 WeakPolarHBondContact O-CB 3.46Å; Q295-S319 PolarHBondContact OE1-OG 3.1Å; T296-S319 PolarHBondContact N-OG 3.44Å; T296-S319 PolarHBondContact OG1-OG 2.87Å | ||
| 320 | P | 89.3 | Confident | 95.7 | Very high | 93 Ų | 93 | 68.3 Ų | 68.3 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | trans | -56.8 | 148.8 | 161.8 | -21 | 33.1 | 0 | 0 | 0 | 111.8 | Q295 | Q295-P320 VanDerWaalsContact OE1-CD 3.29Š| ||
| 321 | T | 88.5 | Confident | 95.6 | Very high | 146 Ų | 146 | 71.1 Ų | 71.1 | 90% | 0.896 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -71.9 | 132.7 | 176.5 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 322 | G | 92.8 | Very high | 95.5 | Very high | 38 Ų | 38 | 72.9 Ų | 72.9 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 85.7 | -168.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.6 | P254 | P254-G322 VanDerWaalsContact CD-O 3.3Å; P254-G322 WeakPolarHBondContact CD-O 3.32Å |
| 323 | S | 97.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 70.4 Ų | 70.4 | 47% | 0.469 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 149.5 | -172.9 | -36.4 | 0 | 0 | 0 | 0 | 112.5 | N252 E253 | N252-S323 CarbonylContact O-C 3.53Å; N252-S323 WeakPolarHBondContact O-CA 3.37Å; E253-S323 WeakPolarHBondContact CB-OG 3.38Å; E253-S323 PolarHBondContact OE2-OG 3.36Å |
| 324 | S | 97.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 12% | 0.119 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 152 | 172.3 | 77.3 | 0 | 0 | 0 | 0 | 111 | N252 | N252-S324 PolarHBondContact N-OG 3.21Å; N252-S324 PolarHBondContact O-N 3.08Å; N252-S324 PolarHBondContact O-OG 3.09Å |
| 325 | P | 96.5 | Very high | 95.7 | Very high | 108 Ų | 108 | 62.7 Ų | 62.7 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 152.5 | 168 | 28.4 | -34.7 | 0 | 0 | 0 | 110.8 | T327 | P325-T327 PolarHBondContact O-N 3.5Š|
| 326 | P | 97.8 | Very high | 95.9 | Very high | 86 Ų | 86 | 62.6 Ų | 62.6 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 136.6 | 170.3 | -23.9 | 34.2 | 0 | 0 | 0 | 112.5 | H250 | H250-P326 WeakPolarHBondContact O-CA 3.28Š|
| 327 | T | 97.9 | Very high | 95.9 | Very high | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 143.8 | 177.9 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | G248 G249 H250 P325 V333 | G248-T327 CarbonylContact C-O 3.51Å; G248-T327 WeakPolarHBondContact CA-O 3.37Å; G249-T327 PolarHBondContact N-O 3.04Å; G249-T327 PolarHBondContact N-OG1 3.12Å; H250-T327 PolarHBondContact N-OG1 3.37Å; H250-T327 VanDerWaalsContact N-OG1 3.12Å; H250-T327 WeakPolarHBondContact O-CG2 3.35Å; H250-T327 PolarHBondContact O-N 3.08Å; H250-T327 PolarHBondContact O-OG1 2.88Å; P325-T327 PolarHBondContact O-N 3.5Å; T327-V333 HydrophobicContact CG2-CB 3.66Å; T327-V333 HydrophobicContact CG2-CG1 3.63Å |
| 328 | Q | 97.1 | Very high | 96 | Very high | 141 Ų | 141 | 57.6 Ų | 57.6 | 66% | 0.659 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 158.5 | 168.1 | -58.5 | -173.4 | 1.7 | 0 | 0 | 110.9 | G330 E331 | Q328-G330 PolarHBondContact O-N 3.39Å; Q328-E331 HydrophobicContact CB-CG 4.17Å; Q328-E331 WeakPolarHBondContact CB-OE2 3.27Å; Q328-E331 PolarHBondContact N-OE2 2.91Å; Q328-E331 VanDerWaalsContact N-OE2 3.08Å; Q328-E331 WeakPolarHBondContact O-CB 3.24Å; Q328-E331 PolarHBondContact O-N 3.05Å |
| 329 | K | 96.2 | Very high | 96.2 | Very high | 184 Ų | 184 | 52.5 Ų | 52.5 | 80% | 0.8 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 129.7 | 174 | -173.4 | 176.7 | -177.6 | 175.2 | 0 | 110.5 | ||
| 330 | G | 95.2 | Very high | 96.4 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -11.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K246 K301 Q328 | K246-G330 PolarHBondContact O-N 3.23Å; K301-G330 PolarHBondContact NZ-O 3.44Å; Q328-G330 PolarHBondContact O-N 3.39Å |
| 331 | E | 95.2 | Very high | 96.7 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | trans | -89.5 | 161.1 | 175.4 | -59 | -171.7 | 144.1 | 0 | 0 | 111.6 | D245 K246 Q328 | D245-E331 VanDerWaalsContact O-O 3.04Å; K246-E331 WeakPolarHBondContact CA-O 3.48Å; Q328-E331 HydrophobicContact CB-CG 4.17Å; Q328-E331 WeakPolarHBondContact CB-OE2 3.27Å; Q328-E331 PolarHBondContact N-OE2 2.91Å; Q328-E331 VanDerWaalsContact N-OE2 3.08Å; Q328-E331 WeakPolarHBondContact O-CB 3.24Å; Q328-E331 PolarHBondContact O-N 3.05Å | ||
| 332 | K | 96.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | trans | -131.8 | 149.8 | 171.8 | -66.3 | -165.4 | 173 | -146.4 | 0 | 107.1 | D245 K246 P300 | D245-K332 HydrophobicContact CB-CD 4.14Å; D245-K332 HydrophobicContact CB-CG 4.27Å; D245-K332 IonicContact OD2-NZ 2.73Å; D245-K332 PolarHBondContact OD2-NZ 2.82Å; K246-K332 HydrophobicContact CG-CG 3.95Å; P300-K332 HydrophobicContact CG-CB 3.96Å | ||
| 333 | V | 97.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 9% | 0.085 | 24% | 0.235 | C | C | . | . | trans | -127.1 | 147.7 | 173.9 | 66.4 | 0 | 0 | 0 | 0 | 109.7 | N238 A297 T327 | N238-V333 HydrophobicContact CB-CG1 3.68Å; N238-V333 WeakPolarHBondContact CB-O 3.4Å; N238-V333 PolarHBondContact N-O 2.67Å; A297-V333 HydrophobicContact CB-CG2 3.66Å; T327-V333 HydrophobicContact CG2-CB 3.66Å; T327-V333 HydrophobicContact CG2-CG1 3.63Å | ||
| 334 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 159.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | M236 V237 N252 A297 F298 P300 | M236-A334 CarbonylContact O-C 3.52Å; M236-A334 WeakPolarHBondContact O-CA 3.26Å; M236-A334 WeakPolarHBondContact O-CB 3.15Å; V237-A334 HydrophobicContact CG2-CB 4.22Å; N252-A334 PolarHBondContact ND2-O 3.25Å; A297-A334 CarbonylContact C-O 3.58Å; A297-A334 VanDerWaalsContact CA-O 3.3Å; A297-A334 WeakPolarHBondContact CA-O 3.42Å; F298-A334 HydrophobicContact CD1-CB 4.01Å; F298-A334 WeakPolarHBondContact CD1-O 3.28Å; F298-A334 HydrophobicContact CD2-CB 4.46Å; F298-A334 HydrophobicContact CE1-CB 3.51Å; F298-A334 HydrophobicContact CE2-CB 4.01Å; F298-A334 HydrophobicContact CG-CB 4.46Å; F298-A334 HydrophobicContact CZ-CB 3.51Å; F298-A334 PolarHBondContact N-O 3.39Å; F298-A334 PolarHBondContact O-N 2.89Å; P300-A334 HydrophobicContact CB-CB 4.3Å; P300-A334 HydrophobicContact CG-CB 4.3Å |
| 335 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 159.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T235 M236 V267 L269 I282 Q295 | T235-A335 WeakPolarHBondContact CA-O 3.22Å; M236-A335 PolarHBondContact N-O 2.86Å; M236-A335 PolarHBondContact O-N 2.7Å; V267-A335 HydrophobicContact CB-CB 3.93Å; V267-A335 HydrophobicContact CG1-CB 3.59Å; V267-A335 HydrophobicContact CG2-CB 4.3Å; L269-A335 HydrophobicContact CD1-CB 4.42Å; L269-A335 HydrophobicContact CD2-CB 3.95Å; L269-A335 HydrophobicContact CG-CB 4.18Å; I282-A335 HydrophobicContact CD1-CB 4.07Å; Q295-A335 WeakPolarHBondContact O-CA 3.13Å |
| 336 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | M233 F234 T235 H294 Q295 F298 L307 L317 | M233-A336 HydrophobicContact CG-CB 4.24Å; M233-A336 HydrophobicContact SD-CB 4.09Å; F234-A336 CarbonylContact O-C 3.55Å; F234-A336 WeakPolarHBondContact O-CA 3.44Å; T235-A336 HydrophobicContact CG2-CB 3.78Å; H294-A336 CarbonylContact C-O 3.58Å; H294-A336 WeakPolarHBondContact CA-O 3.22Å; H294-A336 WeakPolarHBondContact CB-O 3.24Å; Q295-A336 HydrophobicContact CB-CB 4.16Å; Q295-A336 PolarHBondContact N-O 2.67Å; Q295-A336 PolarHBondContact O-N 3.22Å; F298-A336 HydrophobicContact CE1-CB 4.28Å; L307-A336 HydrophobicContact CD1-CB 4.08Å; L307-A336 HydrophobicContact CD2-CB 4.02Å; L317-A336 HydrophobicContact CD1-CB 3.69Å |
| 337 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.8 | 174.4 | 179.1 | 68.9 | 0 | 0 | 0 | 107.9 | M233 F234 I282 A284 V292 S293 H294 F353 | M233-L337 CarbonylContact C-O 3.56Å; M233-L337 WeakPolarHBondContact CA-O 3.41Å; F234-L337 PolarHBondContact N-O 3.11Å; F234-L337 PolarHBondContact O-N 2.78Å; I282-L337 HydrophobicContact CB-CD2 4.47Å; I282-L337 HydrophobicContact CD1-CB 3.8Å; I282-L337 HydrophobicContact CG1-CB 4.13Å; A284-L337 HydrophobicContact CB-CD2 3.92Å; V292-L337 HydrophobicContact CG1-CD1 3.61Å; S293-L337 WeakPolarHBondContact O-CD1 3.49Å; H294-L337 HydrophobicContact CB-CD1 4.25Å; L337-F353 HydrophobicContact CD2-CD1 4.02Å; L337-F353 HydrophobicContact CD2-CE1 4.35Å; L337-F353 HydrophobicContact CG-CE1 4.36Å |
| 338 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I232 M233 S293 L311 L317 | I232-A338 VanDerWaalsContact O-CA 3.3Å; I232-A338 WeakPolarHBondContact O-CA 3.44Å; M233-A338 HydrophobicContact CB-CB 4.24Å; S293-A338 PolarHBondContact N-O 3.47Å; S293-A338 PolarHBondContact O-N 3.4Å; S293-A338 VanDerWaalsContact O-O 3.11Å; L311-A338 HydrophobicContact CD1-CB 4.09Å; L317-A338 HydrophobicContact CD1-CB 3.75Å; L317-A338 HydrophobicContact CG-CB 3.79Å |
| 339 | V | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131 | 172.6 | -170.5 | 0 | 0 | 0 | 0 | 107.9 | S231 I232 A284 R290 E291 V292 L351 F353 | S231-V339 WeakPolarHBondContact CA-O 3.34Å; I232-V339 PolarHBondContact N-O 3.41Å; I232-V339 PolarHBondContact O-N 2.8Å; A284-V339 HydrophobicContact CB-CG2 3.33Å; R290-V339 HydrophobicContact CB-CG1 4.37Å; E291-V339 CarbonylContact O-C 3.49Å; E291-V339 WeakPolarHBondContact O-CA 3.37Å; V292-V339 HydrophobicContact CG2-CG1 4.44Å; V292-V339 HydrophobicContact CG2-CG2 4.4Å; V339-L351 HydrophobicContact CB-CD1 4.35Å; V339-L351 HydrophobicContact CB-CD2 4.4Å; V339-L351 HydrophobicContact CG1-CD2 3.75Å; V339-L351 VanDerWaalsContact O-CD1 3.26Å; V339-L351 WeakPolarHBondContact O-CD1 3.43Å; V339-F353 HydrophobicContact CB-CE1 4.26Å; V339-F353 HydrophobicContact CB-CE2 4.38Å; V339-F353 HydrophobicContact CB-CZ 3.74Å; V339-F353 HydrophobicContact CG2-CD1 4.26Å; V339-F353 HydrophobicContact CG2-CE1 3.52Å; V339-F353 HydrophobicContact CG2-CE2 4.25Å; V339-F353 HydrophobicContact CG2-CZ 3.49Å; V339-F353 VanDerWaalsContact CG2-CZ 3.49Å |
| 340 | S | 97.8 | Very high | 97.5 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.2 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | V230 S231 R290 E291 | V230-S340 CarbonylContact O-C 3.56Å; V230-S340 VanDerWaalsContact O-CA 3.31Å; V230-S340 WeakPolarHBondContact O-CA 3.3Å; S231-S340 VanDerWaalsContact OG-CB 3.29Å; S231-S340 WeakPolarHBondContact OG-CB 3.41Å; R290-S340 WeakPolarHBondContact CA-O 3.47Å; E291-S340 VanDerWaalsContact CB-OG 3.27Å; E291-S340 WeakPolarHBondContact CB-OG 3.32Å; E291-S340 PolarHBondContact N-O 2.91Å; E291-S340 VanDerWaalsContact N-O 3.16Å; E291-S340 PolarHBondContact O-N 2.88Å; E291-S340 PolarHBondContact O-OG 2.84Å; E291-S340 PolarHBondContact OE2-OG 3.14Å |
| 341 | C | 97.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 158.1 | 171.2 | 67.3 | 0 | 0 | 0 | 0 | 111.3 | D229 V230 L351 | D229-C341 WeakPolarHBondContact CA-O 3.45Å; V230-C341 PolarHBondContact N-O 3.4Å; V230-C341 PolarHBondContact O-N 2.9Å; C341-L351 HydrophobicContact CB-CD2 3.73Å |
| 342 | S | 97.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 30.2 Ų | 30.2 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.4 | 165.5 | -155.2 | 0 | 0 | 0 | 0 | 110.2 | D229 N349 | D229-S342 WeakPolarHBondContact OD1-CB 3.33Å; D229-S342 PolarHBondContact OD1-OG 3.2Å; S342-N349 PolarHBondContact O-ND2 2.9Å |
| 343 | V | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 105.8 | 178.5 | -167.4 | 0 | 0 | 0 | 0 | 108.2 | I220 N222 A227 L228 V230 N349 | I220-V343 HydrophobicContact CB-CG2 4.35Å; I220-V343 HydrophobicContact CG2-CG2 3.97Å; N222-V343 HydrophobicContact CB-CB 4.18Å; N222-V343 HydrophobicContact CB-CG1 3.53Å; N222-V343 PolarHBondContact ND2-O 3.02Å; A227-V343 WeakPolarHBondContact CA-O 3.38Å; L228-V343 PolarHBondContact N-O 3.12Å; L228-V343 PolarHBondContact O-N 2.95Å; V230-V343 HydrophobicContact CB-CG2 4.26Å; V230-V343 HydrophobicContact CG2-CG2 3.87Å; V343-N349 HydrophobicContact CB-CB 4.42Å; V343-N349 HydrophobicContact CG1-CB 4.15Å; V343-N349 HydrophobicContact CG2-CB 3.87Å |
| 344 | P | 98 | Very high | 97.9 | Very high | 66 Ų | 66 | 27.9 Ų | 27.9 | 43% | 0.429 | 16% | 0.158 | S | C | . | . | trans | -59.2 | 160.7 | -179.1 | -22.9 | 32.5 | 0 | 0 | 0 | 112.9 | N222 L346 K347 | N222-P344 PolarHBondContact ND2-O 2.66Å; P344-L346 PolarHBondContact O-N 3.34Å; P344-K347 HydrophobicContact CB-CB 4.04Å; P344-K347 HydrophobicContact CB-CG 3.9Å; P344-K347 HydrophobicContact CG-CB 4.41Å; P344-K347 HydrophobicContact CG-CG 4.47Å; P344-K347 PolarHBondContact O-N 3.47Å | ||
| 345 | A | 97.8 | Very high | 98 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 28% | 0.281 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N224 D225 K347 | N224-A345 CarbonylContact O-C 3.52Å; N224-A345 WeakPolarHBondContact O-CA 3.47Å; D225-A345 WeakPolarHBondContact O-CB 3.29Å; A345-K347 WeakPolarHBondContact O-CG 3.19Å; A345-K347 PolarHBondContact O-N 3.18Å |
| 346 | L | 97.7 | Very high | 98 | Very high | 124 Ų | 124 | 27.9 Ų | 27.9 | 65% | 0.649 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 29.1 | 177.9 | -52.4 | 175.1 | 0 | 0 | 0 | 114.1 | N222 K223 N224 P344 | N222-L346 CarbonylContact O-C 3.55Å; N222-L346 WeakPolarHBondContact O-CA 3.41Å; N222-L346 PolarHBondContact O-N 2.91Å; N222-L346 VanDerWaalsContact O-N 3.13Å; K223-L346 WeakPolarHBondContact O-CD2 3.35Å; N224-L346 WeakPolarHBondContact O-CD2 3.21Å; N224-L346 PolarHBondContact O-N 2.94Å; P344-L346 PolarHBondContact O-N 3.34Å |
| 347 | K | 97.8 | Very high | 98 | Very high | 133 Ų | 133 | 28 Ų | 28 | 58% | 0.578 | 16% | 0.159 | S | C | * | . | trans | -125.9 | 168.3 | -179.3 | -65.7 | -61.6 | -178.6 | -178.7 | 0 | 112.3 | N222 P344 A345 | N222-K347 PolarHBondContact N-O 3.45Å; N222-K347 PolarHBondContact O-N 3.28Å; P344-K347 HydrophobicContact CB-CB 4.04Å; P344-K347 HydrophobicContact CB-CG 3.9Å; P344-K347 HydrophobicContact CG-CB 4.41Å; P344-K347 HydrophobicContact CG-CG 4.47Å; P344-K347 PolarHBondContact O-N 3.47Å; A345-K347 WeakPolarHBondContact O-CG 3.19Å; A345-K347 PolarHBondContact O-N 3.18Å | ||
| 348 | L | 96.6 | Very high | 98 | Very high | 72 Ų | 72 | 28 Ų | 28 | 38% | 0.377 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.7 | 174.2 | -174.8 | 86 | 0 | 0 | 0 | 109.3 | Q24 D219 I220 E221 | Q24-L348 HydrophobicContact CB-CD1 4.48Å; Q24-L348 HydrophobicContact CG-CD1 4.39Å; Q24-L348 HydrophobicContact CG-CD2 4.17Å; D219-L348 HydrophobicContact CB-CD1 4.19Å; I220-L348 WeakPolarHBondContact O-CA 3.38Å; E221-L348 HydrophobicContact CB-CD1 4.25Å; E221-L348 HydrophobicContact CG-CD1 3.37Å |
| 349 | N | 96.8 | Very high | 98 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 166.7 | 160.7 | -145.3 | -7.4 | 0 | 0 | 0 | 110.8 | I220 R290 S342 V343 | I220-N349 PolarHBondContact N-O 2.9Å; I220-N349 PolarHBondContact O-N 3.41Å; I220-N349 VanDerWaalsContact O-N 3.1Å; R290-N349 PolarHBondContact NH1-ND2 3.46Å; R290-N349 VanDerWaalsContact NH1-ND2 3.1Å; R290-N349 PolarHBondContact NH2-ND2 2.85Å; R290-N349 PolarHBondContact NH2-OD1 2.74Å; S342-N349 PolarHBondContact O-ND2 2.9Å; V343-N349 HydrophobicContact CB-CB 4.42Å; V343-N349 HydrophobicContact CG1-CB 4.15Å; V343-N349 HydrophobicContact CG2-CB 3.87Å |
| 350 | S | 96.9 | Very high | 97.9 | Very high | 31 Ų | 31 | 28.3 Ų | 28.3 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.1 | -176.9 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | W218 R290 | W218-S350 CarbonylContact O-C 3.49Å; W218-S350 WeakPolarHBondContact O-CA 3.48Å; R290-S350 PolarHBondContact NE-O 3.38Å; R290-S350 VanDerWaalsContact NE-O 3.11Å; R290-S350 PolarHBondContact NH2-O 3.33Å |
| 351 | L | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 141.2 | 173.2 | -56.9 | -179.4 | 0 | 0 | 0 | 110.6 | V217 W218 I220 I232 R290 V339 C341 F353 | V217-L351 CarbonylContact C-O 3.58Å; V217-L351 WeakPolarHBondContact CA-O 3.4Å; W218-L351 HydrophobicContact CB-CB 4.31Å; W218-L351 PolarHBondContact N-O 2.91Å; W218-L351 PolarHBondContact O-N 3.32Å; I220-L351 HydrophobicContact CD1-CD1 3.95Å; I220-L351 HydrophobicContact CD1-CG 3.89Å; I232-L351 HydrophobicContact CB-CD1 3.94Å; I232-L351 HydrophobicContact CD1-CD1 4.01Å; I232-L351 HydrophobicContact CG1-CD1 3.86Å; R290-L351 VanDerWaalsContact CD-CD2 3.43Å; R290-L351 VanDerWaalsContact NE-CD2 3.33Å; V339-L351 HydrophobicContact CB-CD1 4.35Å; V339-L351 HydrophobicContact CB-CD2 4.4Å; V339-L351 HydrophobicContact CG1-CD2 3.75Å; V339-L351 VanDerWaalsContact O-CD1 3.26Å; V339-L351 WeakPolarHBondContact O-CD1 3.43Å; C341-L351 HydrophobicContact CB-CD2 3.73Å; L351-F353 HydrophobicContact CB-CE2 3.97Å |
| 352 | E | 97.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127 | -175.2 | -58.7 | 175.3 | 174.1 | 0 | 0 | 110.3 | V217 A284 L394 Y397 K398 | V217-E352 HydrophobicContact CG1-CG 4.47Å; A284-E352 WeakPolarHBondContact CB-O 3.38Å; E352-L394 HydrophobicContact CB-CD2 3.99Å; E352-Y397 HydrophobicContact CG-CE1 4.29Å; E352-Y397 PolarHBondContact OE1-OH 3.38Å; E352-K398 IonicContact OE1-NZ 3.69Å |
| 353 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 151.5 | 175.2 | -62.4 | -101.4 | 0 | 0 | 0 | 110.4 | F135 V215 F216 W218 I232 F234 A283 L337 V339 L351 | F135-F353 HydrophobicContact CE1-CD2 4.32Å; F135-F353 HydrophobicContact CE1-CG 4.24Å; V215-F353 CarbonylContact C-O 3.48Å; V215-F353 WeakPolarHBondContact CA-O 3.49Å; V215-F353 WeakPolarHBondContact CG1-O 3.46Å; F216-F353 HydrophobicContact CB-CB 4.29Å; F216-F353 PolarHBondContact N-O 3.32Å; F216-F353 PolarHBondContact O-N 3.33Å; W218-F353 AromaticContact CD1-CD2 3.78Å; W218-F353 AromaticContact CD1-CE2 3.91Å; I232-F353 HydrophobicContact CB-CE2 4.11Å; I232-F353 HydrophobicContact CB-CZ 4.02Å; I232-F353 HydrophobicContact CG2-CE2 3.93Å; I232-F353 HydrophobicContact CG2-CZ 3.94Å; I232-F353 VanDerWaalsContact O-CZ 3.28Å; I232-F353 WeakPolarHBondContact O-CZ 3.12Å; F234-F353 HydrophobicContact CB-CD1 3.91Å; F234-F353 HydrophobicContact CB-CE1 4.03Å; F234-F353 HydrophobicContact CD1-CB 4.41Å; F234-F353 HydrophobicContact CD1-CD1 4.26Å; A283-F353 CarbonylContact O-C 3.58Å; A283-F353 VanDerWaalsContact O-CA 3.29Å; A283-F353 WeakPolarHBondContact O-CA 3.47Å; L337-F353 HydrophobicContact CD2-CD1 4.02Å; L337-F353 HydrophobicContact CD2-CE1 4.35Å; L337-F353 HydrophobicContact CG-CE1 4.36Å; V339-F353 HydrophobicContact CB-CE1 4.26Å; V339-F353 HydrophobicContact CB-CE2 4.38Å; V339-F353 HydrophobicContact CB-CZ 3.74Å; V339-F353 HydrophobicContact CG2-CD1 4.26Å; V339-F353 HydrophobicContact CG2-CE1 3.52Å; V339-F353 HydrophobicContact CG2-CE2 4.25Å; V339-F353 HydrophobicContact CG2-CZ 3.49Å; V339-F353 VanDerWaalsContact CG2-CZ 3.49Å; L351-F353 HydrophobicContact CB-CE2 3.97Å |
| 354 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.6 | 170.5 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | A214 I282 A283 L394 | A214-C354 WeakPolarHBondContact O-CA 3.07Å; A214-C354 PolarHBondContact O-SG 2.91Å; I282-C354 WeakPolarHBondContact CA-O 3.2Å; A283-C354 HydrophobicContact CB-CB 4.44Å; A283-C354 PolarHBondContact N-O 2.94Å; A283-C354 PolarHBondContact O-N 3Å; C354-L394 HydrophobicContact CB-CD1 3.98Å; C354-L394 HydrophobicContact CB-CD2 4Å; C354-L394 HydrophobicContact CB-CG 3.76Å |
| 355 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.7 | 161 | 175.4 | 61.1 | 0 | 0 | 0 | 108 | I107 F115 A213 A214 F216 F234 M236 C281 I282 W357 | I107-L355 HydrophobicContact CD1-CD2 3.9Å; F115-L355 HydrophobicContact CE1-CD2 4.11Å; A213-L355 CarbonylContact C-O 3.57Å; A213-L355 VanDerWaalsContact CA-O 3.32Å; A213-L355 WeakPolarHBondContact CA-O 3.34Å; A214-L355 PolarHBondContact N-O 3.49Å; A214-L355 PolarHBondContact O-N 2.85Å; F216-L355 HydrophobicContact CE2-CB 3.92Å; F234-L355 HydrophobicContact CE1-CB 4.23Å; F234-L355 HydrophobicContact CZ-CB 4.43Å; F234-L355 HydrophobicContact CZ-CD2 4.49Å; M236-L355 HydrophobicContact CE-CD1 3.81Å; M236-L355 HydrophobicContact CE-CD2 3.74Å; M236-L355 HydrophobicContact CE-CG 4.46Å; C281-L355 WeakPolarHBondContact O-CA 3.14Å; I282-L355 HydrophobicContact CG2-CD1 4.22Å; L355-W357 HydrophobicContact CD2-CZ3 4.33Å; L355-W357 HydrophobicContact CG-CE3 4.11Å; L355-W357 HydrophobicContact CG-CZ3 4.05Å |
| 356 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 154.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | P212 A213 L280 C281 L389 | P212-A356 WeakPolarHBondContact O-CA 3.41Å; A213-A356 HydrophobicContact CB-CB 4.13Å; L280-A356 CarbonylContact C-O 3.48Å; L280-A356 WeakPolarHBondContact CA-O 3.48Å; C281-A356 HydrophobicContact CB-CB 4.38Å; C281-A356 PolarHBondContact N-O 3.11Å; C281-A356 PolarHBondContact O-N 2.84Å; A356-L389 HydrophobicContact CB-CB 4.13Å |
| 357 | W | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 124 | 175.5 | 54.2 | 92.4 | 0 | 0 | 0 | 111.7 | L99 G104 G105 I107 L120 P212 T279 L280 L355 | L99-W357 HydrophobicContact CB-CH2 4.34Å; G104-W357 PolarHBondContact O-NE1 2.76Å; G105-W357 WeakPolarHBondContact O-CZ2 3.36Å; G105-W357 PolarHBondContact O-NE1 2.54Å; I107-W357 HydrophobicContact CD1-CD2 4.07Å; I107-W357 HydrophobicContact CD1-CE3 3.66Å; I107-W357 HydrophobicContact CD1-CH2 4.44Å; I107-W357 HydrophobicContact CD1-CZ3 3.87Å; I107-W357 HydrophobicContact CG1-CE3 4.48Å; I107-W357 HydrophobicContact CG1-CZ3 4.44Å; L120-W357 HydrophobicContact CD2-CD2 4.34Å; L120-W357 HydrophobicContact CD2-CG 4Å; P212-W357 HydrophobicContact CB-CD2 4.12Å; P212-W357 HydrophobicContact CB-CG 4.03Å; P212-W357 HydrophobicContact CB-CZ2 4.25Å; P212-W357 VanDerWaalsContact CB-NE1 3.26Å; P212-W357 WeakPolarHBondContact CB-O 3.39Å; P212-W357 WeakPolarHBondContact CG-O 3.09Å; P212-W357 PolarHBondContact O-N 3.22Å; T279-W357 WeakPolarHBondContact O-CA 3.34Å; L280-W357 HydrophobicContact CD2-CB 3.46Å; L280-W357 VanDerWaalsContact CD2-CB 3.46Å; L280-W357 HydrophobicContact CD2-CG 4.48Å; L355-W357 HydrophobicContact CD2-CZ3 4.33Å; L355-W357 HydrophobicContact CG-CE3 4.11Å; L355-W357 HydrophobicContact CG-CZ3 4.05Å |
| 358 | D | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 111 | -177.8 | -170.6 | 27.6 | 0 | 0 | 0 | 110.9 | Y278 T279 P360 Y375 G383 D384 A385 S386 L389 | Y278-D358 CarbonylContact C-O 3.31Å; Y278-D358 WeakPolarHBondContact CA-O 3.34Å; Y278-D358 VanDerWaalsContact CB-O 3.29Å; Y278-D358 WeakPolarHBondContact CB-O 3.47Å; T279-D358 PolarHBondContact N-O 2.83Å; T279-D358 PolarHBondContact O-N 2.85Å; D358-P360 VanDerWaalsContact OD1-CD 3.29Å; D358-P360 WeakPolarHBondContact OD1-CD 3.19Å; D358-Y375 WeakPolarHBondContact CA-OH 3.47Å; D358-Y375 VanDerWaalsContact OD1-CE2 3.31Å; D358-Y375 WeakPolarHBondContact OD1-CE2 3.37Å; D358-Y375 PolarHBondContact OD1-OH 2.81Å; D358-G383 WeakPolarHBondContact OD2-CA 3.16Å; D358-D384 PolarHBondContact OD2-N 3.03Å; D358-A385 WeakPolarHBondContact OD2-CB 3.46Å; D358-A385 PolarHBondContact OD2-N 3.12Å; D358-S386 VanDerWaalsContact CB-OG 3.25Å; D358-S386 WeakPolarHBondContact CB-OG 3.36Å; D358-L389 HydrophobicContact CB-CD1 4.34Å |
| 359 | M | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | trans | -139 | 67.4 | 174.1 | -171.8 | -167.6 | -76 | 0 | 0 | 109.4 | L120 N276 Y278 I362 R373 Y375 | L120-M359 HydrophobicContact CB-CE 4.05Å; L120-M359 VanDerWaalsContact O-SD 3.33Å; N276-M359 HydrophobicContact CB-CE 4.17Å; N276-M359 HydrophobicContact CB-CG 4.41Å; N276-M359 HydrophobicContact CB-SD 3.88Å; N276-M359 WeakPolarHBondContact O-CE 3.43Å; Y278-M359 HydrophobicContact CD1-CE 3.39Å; Y278-M359 HydrophobicContact CE1-CE 4.19Å; Y278-M359 HydrophobicContact CG-CE 3.81Å; M359-I362 HydrophobicContact CG-CG2 3.91Å; M359-I362 HydrophobicContact SD-CG2 3.79Å; M359-R373 WeakPolarHBondContact O-CD 3.38Å; M359-R373 PolarHBondContact O-NE 3.29Å; M359-R373 VanDerWaalsContact O-NE 3.13Å; M359-R373 PolarHBondContact SD-NH2 3.43Å; M359-R373 VanDerWaalsContact SD-NH2 3.36Å; M359-Y375 PolarHBondContact N-OH 3.13Å | ||
| 360 | P | 97.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | trans | -77.2 | -32.4 | -166.1 | 28 | -29.9 | 0 | 0 | 0 | 111.2 | D358 Y372 R373 Y375 A376 | D358-P360 VanDerWaalsContact OD1-CD 3.29Å; D358-P360 WeakPolarHBondContact OD1-CD 3.19Å; P360-Y372 CarbonylContact O-C 3.49Å; P360-Y372 WeakPolarHBondContact O-CA 3.16Å; P360-R373 PolarHBondContact O-N 3.01Å; P360-Y375 VanDerWaalsContact CA-OH 3.25Å; P360-Y375 WeakPolarHBondContact CA-OH 3.41Å; P360-Y375 HydrophobicContact CB-CE2 4.31Å; P360-Y375 WeakPolarHBondContact CD-OH 3.47Å; P360-A376 HydrophobicContact CB-CB 3.79Å | ||
| 361 | R | 97.4 | Very high | 96.8 | Very high | 121 Ų | 121 | 30.7 Ų | 30.7 | 46% | 0.457 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126 | 176 | -66.3 | 170.2 | 62.8 | 171.8 | 7 | 109.4 | E370 Y372 D381 | R361-E370 HydrophobicContact CB-CG 4.48Å; R361-E370 IonicContact CZ-OE1 2.8Å; R361-E370 IonicContact CZ-OE2 3.84Å; R361-E370 IonicContact NE-OE1 3.12Å; R361-E370 PolarHBondContact NE-OE1 2.82Å; R361-E370 IonicContact NE-OE2 3.68Å; R361-E370 PolarHBondContact NE-OE2 3.01Å; R361-E370 VanDerWaalsContact NH2-CD 3.3Å; R361-E370 IonicContact NH2-OE1 2.59Å; R361-E370 PolarHBondContact NH2-OE1 2.99Å; R361-E370 VanDerWaalsContact NH2-OE1 3.13Å; R361-E370 IonicContact NH2-OE2 2.7Å; R361-E370 PolarHBondContact NH2-OE2 2.82Å; R361-Y372 HydrophobicContact CG-CD1 3.86Å; R361-Y372 HydrophobicContact CG-CE1 3.56Å; R361-D381 VanDerWaalsContact CD-O 3.24Å; R361-D381 WeakPolarHBondContact CD-O 3.32Å |
| 362 | I | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 150 | -179.9 | 57.7 | 165.9 | 0 | 0 | 0 | 111.3 | P122 N276 M359 H371 R373 T440 | P122-I362 HydrophobicContact CB-CD1 4.39Å; P122-I362 HydrophobicContact CG-CB 3.87Å; P122-I362 HydrophobicContact CG-CD1 3.52Å; P122-I362 HydrophobicContact CG-CG1 4.23Å; P122-I362 HydrophobicContact CG-CG2 4.1Å; N276-I362 WeakPolarHBondContact OD1-CA 3.42Å; M359-I362 HydrophobicContact CG-CG2 3.91Å; M359-I362 HydrophobicContact SD-CG2 3.79Å; I362-H371 HydrophobicContact CD1-CB 4.38Å; I362-H371 HydrophobicContact CG1-CB 3.98Å; I362-H371 WeakPolarHBondContact CG1-O 3.25Å; I362-H371 PolarHBondContact N-O 2.77Å; I362-H371 PolarHBondContact O-N 3.49Å; I362-R373 HydrophobicContact CD1-CG 4.14Å; I362-R373 HydrophobicContact CG1-CG 4.4Å; I362-R373 HydrophobicContact CG2-CG 4.25Å; I362-T440 HydrophobicContact CD1-CG2 4.18Å |
| 363 | T | 97.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 34 Ų | 34 | 18% | 0.184 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149 | 161.9 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | T275 N276 R369 | T275-T363 WeakPolarHBondContact CG2-OG1 3.5Å; N276-T363 PolarHBondContact ND2-O 3.34Å; N276-T363 PolarHBondContact OD1-N 2.9Å; N276-T363 PolarHBondContact OD1-OG1 2.76Å; T363-R369 WeakPolarHBondContact CG2-O 3.32Å |
| 364 | F | 96.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | trans | -79.6 | 178.3 | 166.7 | -64.4 | -78.8 | 0 | 0 | 0 | 110.6 | P122 S366 G367 H371 V438 Y483 D549 P551 W552 | P122-F364 HydrophobicContact CB-CD1 3.74Å; P122-F364 HydrophobicContact CB-CE1 3.57Å; P122-F364 HydrophobicContact CB-CZ 4.47Å; F364-S366 PolarHBondContact O-N 3.3Å; F364-S366 VanDerWaalsContact O-N 3.16Å; F364-G367 PolarHBondContact O-N 2.82Å; F364-H371 AromaticContact CD2-CD2 3.7Å; F364-H371 AromaticContact CD2-NE2 3.59Å; F364-H371 AromaticContact CE2-CD2 3.6Å; F364-H371 AromaticContact CE2-NE2 3.55Å; F364-V438 HydrophobicContact CE1-CG1 4.06Å; F364-V438 HydrophobicContact CE1-CG2 4.5Å; F364-V438 HydrophobicContact CZ-CG1 4.25Å; F364-V438 HydrophobicContact CZ-CG2 4.21Å; F364-Y483 HydrophobicContact CE1-CE2 4.07Å; F364-D549 WeakPolarHBondContact CB-O 3.4Å; F364-P551 HydrophobicContact CD1-CG 3.8Å; F364-P551 HydrophobicContact CD2-CG 4.34Å; F364-P551 HydrophobicContact CE1-CG 3.76Å; F364-P551 HydrophobicContact CE2-CG 4.31Å; F364-P551 VanDerWaalsContact CG-CD 3.48Å; F364-P551 HydrophobicContact CG-CG 4.09Å; F364-P551 HydrophobicContact CZ-CB 4.44Å; F364-P551 HydrophobicContact CZ-CG 4.03Å; F364-W552 HydrophobicContact CE2-CE3 4.49Å; F364-W552 AromaticContact CE2-CZ3 3.87Å; F364-W552 HydrophobicContact CE2-CZ3 3.87Å; F364-W552 HydrophobicContact CZ-CH2 4.44Å; F364-W552 AromaticContact CZ-CZ3 3.91Å; F364-W552 HydrophobicContact CZ-CZ3 3.91Å | ||
| 365 | G | 93.8 | Very high | 96.7 | Very high | 45 Ų | 45 | 34.2 Ų | 34.2 | 46% | 0.464 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G367 P547 D548 | G365-G367 VanDerWaalsContact C-N 3.3Å; G365-P547 PolarHBondContact N-O 3.33Å; G365-D548 CarbonylContact C-O 3.13Å; G365-D548 VanDerWaalsContact C-O 3.3Å |
| 366 | S | 93.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -32.9 | 169.5 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | F364 E368 D548 D549 E550 | F364-S366 PolarHBondContact O-N 3.3Å; F364-S366 VanDerWaalsContact O-N 3.16Å; S366-E368 PolarHBondContact O-N 3.24Å; S366-E368 PolarHBondContact OG-N 3Å; S366-E368 VanDerWaalsContact OG-N 3.07Å; S366-D548 PolarHBondContact N-O 2.94Å; S366-D549 WeakPolarHBondContact CB-O 3.47Å; S366-D549 PolarHBondContact N-O 3.39Å; S366-D549 VanDerWaalsContact N-O 3.16Å; S366-D549 PolarHBondContact OG-O 3.35Å; S366-E550 PolarHBondContact OG-OE2 2.86Å |
| 367 | G | 93.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 52% | 0.515 | 20% | 0.199 | S | C | . | . | trans | 63.2 | 16.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F364 G365 | F364-G367 PolarHBondContact O-N 2.82Å; G365-G367 VanDerWaalsContact C-N 3.3Å | ||
| 368 | E | 93.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 21% | 0.213 | S | C | . | . | trans | -80 | -35.6 | -171.8 | -75.9 | 168.6 | -152.9 | 0 | 0 | 113.1 | S366 R554 | S366-E368 PolarHBondContact O-N 3.24Å; S366-E368 PolarHBondContact OG-N 3Å; S366-E368 VanDerWaalsContact OG-N 3.07Å; E368-R554 VanDerWaalsContact CD-NH2 3.27Å; E368-R554 IonicContact OE1-CZ 2.74Å; E368-R554 IonicContact OE1-NH1 3.21Å; E368-R554 IonicContact OE1-NH2 3.48Å; E368-R554 PolarHBondContact OE1-NH2 3.49Å; E368-R554 IonicContact OE2-CZ 2.69Å; E368-R554 IonicContact OE2-NH2 3.88Å; E368-R554 PolarHBondContact OE2-NH2 3.08Å | ||
| 369 | R | 93.4 | Very high | 96.6 | Very high | 138 Ų | 138 | 44.9 Ų | 44.9 | 52% | 0.521 | 22% | 0.221 | S | C | . | . | trans | -133.4 | 147.6 | 178 | -59.8 | -162.1 | -167.5 | 176.8 | 5.1 | 112.3 | T363 E550 | T363-R369 WeakPolarHBondContact CG2-O 3.32Å; R369-E550 PolarHBondContact N-OE2 2.96Å | ||
| 370 | E | 95.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 137 | 167.8 | -177.2 | 170.3 | 84.5 | 0 | 0 | 109.8 | R361 Y372 | R361-E370 HydrophobicContact CB-CG 4.48Å; R361-E370 IonicContact CZ-OE1 2.8Å; R361-E370 IonicContact CZ-OE2 3.84Å; R361-E370 IonicContact NE-OE1 3.12Å; R361-E370 PolarHBondContact NE-OE1 2.82Å; R361-E370 IonicContact NE-OE2 3.68Å; R361-E370 PolarHBondContact NE-OE2 3.01Å; R361-E370 VanDerWaalsContact NH2-CD 3.3Å; R361-E370 IonicContact NH2-OE1 2.59Å; R361-E370 PolarHBondContact NH2-OE1 2.99Å; R361-E370 VanDerWaalsContact NH2-OE1 3.13Å; R361-E370 IonicContact NH2-OE2 2.7Å; R361-E370 PolarHBondContact NH2-OE2 2.82Å; E370-Y372 HydrophobicContact CG-CE2 4.28Å; E370-Y372 VanDerWaalsContact OE1-CZ 3.32Å; E370-Y372 PolarHBondContact OE1-OH 3.24Å |
| 371 | H | 96.8 | Very high | 96.4 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 153.3 | 173.9 | -55.5 | -101.5 | 0 | 0 | 0 | 109.5 | I362 F364 T440 E550 | I362-H371 HydrophobicContact CD1-CB 4.38Å; I362-H371 HydrophobicContact CG1-CB 3.98Å; I362-H371 WeakPolarHBondContact CG1-O 3.25Å; I362-H371 PolarHBondContact N-O 2.77Å; I362-H371 PolarHBondContact O-N 3.49Å; F364-H371 AromaticContact CD2-CD2 3.7Å; F364-H371 AromaticContact CD2-NE2 3.59Å; F364-H371 AromaticContact CE2-CD2 3.6Å; F364-H371 AromaticContact CE2-NE2 3.55Å; H371-T440 HydrophobicContact CB-CG2 3.91Å; H371-E550 IonicContact CD2-OE1 3.22Å; H371-E550 IonicContact CE1-OE1 3.24Å; H371-E550 PolarHBondContact CE1-OE1 2.64Å; H371-E550 IonicContact NE2-OE1 3.91Å; H371-E550 PolarHBondContact NE2-OE1 2.79Å |
| 372 | Y | 97.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 30% | 0.302 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.9 | 178.5 | -63.4 | -96.5 | 0 | 0 | 0 | 108.8 | P360 R361 E370 D381 T440 E441 | P360-Y372 CarbonylContact O-C 3.49Å; P360-Y372 WeakPolarHBondContact O-CA 3.16Å; R361-Y372 HydrophobicContact CG-CD1 3.86Å; R361-Y372 HydrophobicContact CG-CE1 3.56Å; E370-Y372 HydrophobicContact CG-CE2 4.28Å; E370-Y372 VanDerWaalsContact OE1-CZ 3.32Å; E370-Y372 PolarHBondContact OE1-OH 3.24Å; Y372-D381 HydrophobicContact CD1-CB 3.7Å; Y372-D381 HydrophobicContact CE1-CB 3.76Å; Y372-T440 CarbonylContact O-C 3.54Å; Y372-T440 WeakPolarHBondContact O-CA 3.29Å; Y372-T440 WeakPolarHBondContact O-CB 3.18Å; Y372-E441 PolarHBondContact O-N 3.05Å |
| 373 | R | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 148.7 | 175.1 | -70.1 | -175.9 | -171.2 | -118 | 7.9 | 110.5 | G103 G104 L120 M359 P360 I362 Y375 A376 W439 | G103-R373 PolarHBondContact O-NH1 3.05Å; G104-R373 PolarHBondContact O-NH1 3.39Å; L120-R373 PolarHBondContact O-NH2 2.88Å; M359-R373 WeakPolarHBondContact O-CD 3.38Å; M359-R373 PolarHBondContact O-NE 3.29Å; M359-R373 VanDerWaalsContact O-NE 3.13Å; M359-R373 PolarHBondContact SD-NH2 3.43Å; M359-R373 VanDerWaalsContact SD-NH2 3.36Å; P360-R373 PolarHBondContact O-N 3.01Å; I362-R373 HydrophobicContact CD1-CG 4.14Å; I362-R373 HydrophobicContact CG1-CG 4.4Å; I362-R373 HydrophobicContact CG2-CG 4.25Å; R373-Y375 VanDerWaalsContact C-N 3.28Å; R373-Y375 HydrophobicContact CB-CD1 3.8Å; R373-Y375 HydrophobicContact CB-CE1 3.74Å; R373-Y375 HydrophobicContact CG-CE1 4.41Å; R373-Y375 PolarHBondContact O-N 3.44Å; R373-Y375 VanDerWaalsContact O-N 3.15Å; R373-A376 WeakPolarHBondContact O-CB 3.45Å; R373-A376 PolarHBondContact O-N 3.44Å; R373-W439 CarbonylContact C-O 3.54Å; R373-W439 WeakPolarHBondContact CA-O 3.41Å |
| 374 | R | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -45.5 | -176.1 | 177.5 | 59.3 | 172.7 | -165.7 | -4.1 | 113.8 | A376 R377 Y378 W439 E441 E468 | R374-A376 PolarHBondContact O-N 2.97Å; R374-A376 VanDerWaalsContact O-N 3.09Å; R374-R377 VanDerWaalsContact O-CB 3.29Å; R374-R377 WeakPolarHBondContact O-CB 3.49Å; R374-R377 PolarHBondContact O-N 2.94Å; R374-R377 VanDerWaalsContact O-N 3.08Å; R374-Y378 HydrophobicContact CG-CE2 4.38Å; R374-Y378 PolarHBondContact NE-OH 3.4Å; R374-Y378 PolarHBondContact NH2-OH 2.84Å; R374-W439 HydrophobicContact CB-CB 4.15Å; R374-W439 HydrophobicContact CB-CD2 3.62Å; R374-W439 HydrophobicContact CB-CE3 4.16Å; R374-W439 HydrophobicContact CB-CG 3.61Å; R374-W439 HydrophobicContact CG-CD2 3.66Å; R374-W439 VanDerWaalsContact CG-CE2 3.44Å; R374-W439 HydrophobicContact CG-CE3 4.07Å; R374-W439 HydrophobicContact CG-CG 4.14Å; R374-W439 HydrophobicContact CG-CH2 4.09Å; R374-W439 HydrophobicContact CG-CZ2 3.67Å; R374-W439 HydrophobicContact CG-CZ3 4.27Å; R374-W439 PolarHBondContact N-O 3.3Å; R374-E441 WeakPolarHBondContact CD-OE1 3.43Å; R374-E441 IonicContact CZ-OE1 3.32Å; R374-E441 IonicContact NE-OE1 3.3Å; R374-E441 IonicContact NH1-OE1 3.34Å; R374-E441 PolarHBondContact NH1-OE1 2.74Å; R374-E468 VanDerWaalsContact CZ-O 3.31Å; R374-E468 PolarHBondContact NH1-O 3.24Å; R374-E468 PolarHBondContact NH2-O 3.47Å |
| 375 | Y | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.5 | -175.4 | 79.9 | -92.5 | 0 | 0 | 0 | 113.2 | P212 D358 M359 P360 R373 R377 Y378 F379 L389 | P212-Y375 HydrophobicContact CB-CE1 4.46Å; P212-Y375 HydrophobicContact CG-CD1 3.85Å; P212-Y375 HydrophobicContact CG-CD2 4.11Å; P212-Y375 HydrophobicContact CG-CE1 3.71Å; P212-Y375 HydrophobicContact CG-CE2 4.03Å; P212-Y375 HydrophobicContact CG-CG 4.03Å; D358-Y375 WeakPolarHBondContact CA-OH 3.47Å; D358-Y375 VanDerWaalsContact OD1-CE2 3.31Å; D358-Y375 WeakPolarHBondContact OD1-CE2 3.37Å; D358-Y375 PolarHBondContact OD1-OH 2.81Å; M359-Y375 PolarHBondContact N-OH 3.13Å; P360-Y375 VanDerWaalsContact CA-OH 3.25Å; P360-Y375 WeakPolarHBondContact CA-OH 3.41Å; P360-Y375 HydrophobicContact CB-CE2 4.31Å; P360-Y375 WeakPolarHBondContact CD-OH 3.47Å; R373-Y375 VanDerWaalsContact C-N 3.28Å; R373-Y375 HydrophobicContact CB-CD1 3.8Å; R373-Y375 HydrophobicContact CB-CE1 3.74Å; R373-Y375 HydrophobicContact CG-CE1 4.41Å; R373-Y375 PolarHBondContact O-N 3.44Å; R373-Y375 VanDerWaalsContact O-N 3.15Å; Y375-R377 PolarHBondContact O-N 2.69Å; Y375-Y378 PolarHBondContact O-N 2.95Å; Y375-F379 HydrophobicContact CD2-CB 4.35Å; Y375-F379 PolarHBondContact O-N 2.85Å; Y375-F379 VanDerWaalsContact O-N 3.13Å; Y375-L389 HydrophobicContact CD2-CD1 4.5Å; Y375-L389 HydrophobicContact CD2-CD2 4.4Å; Y375-L389 HydrophobicContact CE2-CD1 4.16Å |
| 376 | A | 97.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -25.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P360 R373 R374 Y378 G380 D381 | P360-A376 HydrophobicContact CB-CB 3.79Å; R373-A376 WeakPolarHBondContact O-CB 3.45Å; R373-A376 PolarHBondContact O-N 3.44Å; R374-A376 PolarHBondContact O-N 2.97Å; R374-A376 VanDerWaalsContact O-N 3.09Å; A376-Y378 PolarHBondContact O-N 3.12Å; A376-G380 VanDerWaalsContact CA-O 3.3Å; A376-G380 WeakPolarHBondContact CA-O 3.24Å; A376-G380 WeakPolarHBondContact CB-O 3.17Å; A376-G380 CarbonylContact O-C 3.48Å; A376-G380 VanDerWaalsContact O-CA 3.26Å; A376-G380 WeakPolarHBondContact O-CA 3.22Å; A376-G380 PolarHBondContact O-N 3.4Å; A376-D381 HydrophobicContact CB-CB 4.41Å |
| 377 | R | 97.1 | Very high | 96.8 | Very high | 104 Ų | 104 | 53.4 Ų | 53.4 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.6 | -33.3 | 171.3 | -179.5 | 178.8 | -76.1 | -161.1 | 1.5 | 112.7 | R374 Y375 E441 K467 E468 | R374-R377 VanDerWaalsContact O-CB 3.29Å; R374-R377 WeakPolarHBondContact O-CB 3.49Å; R374-R377 PolarHBondContact O-N 2.94Å; R374-R377 VanDerWaalsContact O-N 3.08Å; Y375-R377 PolarHBondContact O-N 2.69Å; R377-E441 IonicContact CZ-OE1 3.33Å; R377-E441 IonicContact CZ-OE2 3.12Å; R377-E441 VanDerWaalsContact NE-CD 3.31Å; R377-E441 IonicContact NE-OE1 2.7Å; R377-E441 PolarHBondContact NE-OE1 3.21Å; R377-E441 IonicContact NE-OE2 3.09Å; R377-E441 PolarHBondContact NE-OE2 2.82Å; R377-E441 IonicContact NH2-OE1 2.99Å; R377-E441 PolarHBondContact NH2-OE1 3.31Å; R377-E441 IonicContact NH2-OE2 2.83Å; R377-E441 PolarHBondContact NH2-OE2 3.38Å; R377-K467 PolarHBondContact NH2-O 2.77Å; R377-K467 VanDerWaalsContact NH2-O 3.1Å; R377-E468 PolarHBondContact NH1-O 3.24Å; R377-E468 PolarHBondContact NH2-O 3.14Å |
| 378 | Y | 97.9 | Very high | 97 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 29% | 0.29 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -101.7 | -29 | -173.5 | -46.8 | -74.1 | 0 | 0 | 0 | 112.9 | Y206 Q207 R374 Y375 A376 | Y206-Y378 PolarHBondContact O-OH 2.94Å; Q207-Y378 HydrophobicContact CB-CD1 4.48Å; Q207-Y378 HydrophobicContact CB-CD2 4.45Å; Q207-Y378 HydrophobicContact CB-CE1 3.98Å; Q207-Y378 HydrophobicContact CB-CE2 3.98Å; Q207-Y378 HydrophobicContact CG-CD1 3.83Å; Q207-Y378 HydrophobicContact CG-CD2 3.82Å; Q207-Y378 HydrophobicContact CG-CE1 3.85Å; Q207-Y378 HydrophobicContact CG-CE2 3.87Å; Q207-Y378 HydrophobicContact CG-CG 3.82Å; R374-Y378 HydrophobicContact CG-CE2 4.38Å; R374-Y378 PolarHBondContact NE-OH 3.4Å; R374-Y378 PolarHBondContact NH2-OH 2.84Å; Y375-Y378 PolarHBondContact O-N 2.95Å; A376-Y378 PolarHBondContact O-N 3.12Å |
| 379 | F | 97.9 | Very high | 97.3 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 17% | 0.167 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -117.4 | -3.9 | -173.1 | -70.6 | -91.1 | 0 | 0 | 0 | 114.7 | L211 Y375 A385 L389 Y392 | L211-F379 HydrophobicContact CD1-CE2 4.38Å; L211-F379 HydrophobicContact CD2-CD2 3.92Å; L211-F379 HydrophobicContact CD2-CE2 3.42Å; L211-F379 VanDerWaalsContact CD2-CE2 3.42Å; L211-F379 HydrophobicContact CD2-CZ 4.33Å; Y375-F379 HydrophobicContact CD2-CB 4.35Å; Y375-F379 PolarHBondContact O-N 2.85Å; Y375-F379 VanDerWaalsContact O-N 3.13Å; F379-A385 HydrophobicContact CB-CB 3.88Å; F379-L389 HydrophobicContact CB-CD2 4.38Å; F379-L389 HydrophobicContact CD1-CD2 3.73Å; F379-L389 HydrophobicContact CD1-CG 3.87Å; F379-L389 HydrophobicContact CD2-CD2 3.67Å; F379-L389 HydrophobicContact CE1-CD2 3.87Å; F379-L389 HydrophobicContact CE1-CG 4.24Å; F379-L389 HydrophobicContact CE2-CD2 3.85Å; F379-L389 HydrophobicContact CG-CD2 3.64Å; F379-L389 HydrophobicContact CG-CG 4.06Å; F379-L389 HydrophobicContact CZ-CD2 3.94Å; F379-Y392 HydrophobicContact CE1-CG 4.28Å; F379-Y392 AromaticContact CZ-CD1 3.98Å; F379-Y392 HydrophobicContact CZ-CD1 3.98Å; F379-Y392 HydrophobicContact CZ-CD2 4.22Å; F379-Y392 AromaticContact CZ-CG 3.75Å; F379-Y392 HydrophobicContact CZ-CG 3.75Å |
| 380 | G | 97.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | trans | 92.9 | 170.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A376 | A376-G380 VanDerWaalsContact CA-O 3.3Å; A376-G380 WeakPolarHBondContact CA-O 3.24Å; A376-G380 WeakPolarHBondContact CB-O 3.17Å; A376-G380 CarbonylContact O-C 3.48Å; A376-G380 VanDerWaalsContact O-CA 3.26Å; A376-G380 WeakPolarHBondContact O-CA 3.22Å; A376-G380 PolarHBondContact O-N 3.4Å | ||
| 381 | D | 95.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -117 | 8.3 | -169.5 | 62 | -5.4 | 0 | 0 | 0 | 114.2 | R361 Y372 A376 | R361-D381 VanDerWaalsContact CD-O 3.24Å; R361-D381 WeakPolarHBondContact CD-O 3.32Å; Y372-D381 HydrophobicContact CD1-CB 3.7Å; Y372-D381 HydrophobicContact CE1-CB 3.76Å; A376-D381 HydrophobicContact CB-CB 4.41Å |
| 382 | K | 96.7 | Very high | 97.8 | Very high | 165 Ų | 165 | 39.8 Ų | 39.8 | 72% | 0.717 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -84.7 | -14.2 | -171.5 | -67 | -179.7 | -177.8 | 174.2 | 0 | 114.9 | D384 | K382-D384 WeakPolarHBondContact CB-OD1 3.32Š|
| 383 | G | 95.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 81.9 | 18.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D358 | D358-G383 WeakPolarHBondContact OD2-CA 3.16Š|
| 384 | D | 97.3 | Very high | 97.8 | Very high | 103 Ų | 103 | 36.1 Ų | 36.1 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | trans | -117.2 | 14.3 | 179.3 | 62.6 | -1.1 | 0 | 0 | 0 | 113.5 | D358 K382 S386 P387 | D358-D384 PolarHBondContact OD2-N 3.03Å; K382-D384 WeakPolarHBondContact CB-OD1 3.32Å; D384-S386 PolarHBondContact O-N 2.87Å; D384-P387 WeakPolarHBondContact O-CD 3.47Å | ||
| 385 | A | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | trans | -80.4 | -14.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D358 F379 S388 L389 | D358-A385 WeakPolarHBondContact OD2-CB 3.46Å; D358-A385 PolarHBondContact OD2-N 3.12Å; F379-A385 HydrophobicContact CB-CB 3.88Å; A385-S388 CarbonylContact O-C 3.28Å; A385-S388 WeakPolarHBondContact O-CA 3.26Å; A385-S388 PolarHBondContact O-N 2.94Å; A385-L389 HydrophobicContact CB-CD1 4Å; A385-L389 HydrophobicContact CB-CG 4.24Å; A385-L389 PolarHBondContact O-N 3.19Å | ||
| 386 | S | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.5 | -41.7 | -174.1 | -70.2 | 0 | 0 | 0 | 0 | 115.5 | T279 D358 D384 S390 | T279-S386 PolarHBondContact O-OG 2.77Å; D358-S386 VanDerWaalsContact CB-OG 3.25Å; D358-S386 WeakPolarHBondContact CB-OG 3.36Å; D384-S386 PolarHBondContact O-N 2.87Å; S386-S390 WeakPolarHBondContact O-CB 3.39Å; S386-S390 PolarHBondContact O-N 3.16Å; S386-S390 PolarHBondContact O-OG 3.19Å |
| 387 | P | 98.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 16% | 0.156 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 171.4 | -25.8 | 35.9 | 0 | 0 | 0 | 113.3 | F255 L257 L268 D384 S390 H391 | F255-P387 HydrophobicContact CD2-CB 3.8Å; F255-P387 HydrophobicContact CD2-CG 4.09Å; F255-P387 HydrophobicContact CE2-CB 3.87Å; F255-P387 HydrophobicContact CE2-CG 4.45Å; F255-P387 HydrophobicContact CG-CG 4.4Å; L257-P387 HydrophobicContact CD2-CB 4.04Å; L257-P387 WeakPolarHBondContact CD2-O 3.49Å; L268-P387 HydrophobicContact CD1-CG 4.03Å; L268-P387 HydrophobicContact CD2-CG 4.11Å; D384-P387 WeakPolarHBondContact O-CD 3.47Å; P387-S390 PolarHBondContact O-N 3.19Å; P387-S390 PolarHBondContact O-OG 2.97Å; P387-H391 WeakPolarHBondContact O-CB 3.49Å; P387-H391 PolarHBondContact O-N 3.46Å |
| 388 | S | 98.5 | Very high | 97.9 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.4 | -37.8 | -179.8 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | A385 Y392 | A385-S388 CarbonylContact O-C 3.28Å; A385-S388 WeakPolarHBondContact O-CA 3.26Å; A385-S388 PolarHBondContact O-N 2.94Å; S388-Y392 VanDerWaalsContact O-CB 3.31Å; S388-Y392 WeakPolarHBondContact O-CB 3.46Å; S388-Y392 PolarHBondContact O-N 3.02Å |
| 389 | L | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 174.6 | -77.8 | 167.2 | 0 | 0 | 0 | 111.3 | L211 P212 A356 D358 Y375 F379 A385 Y392 A393 | L211-L389 HydrophobicContact CD2-CD2 4.27Å; P212-L389 HydrophobicContact CG-CD1 4Å; A356-L389 HydrophobicContact CB-CB 4.13Å; D358-L389 HydrophobicContact CB-CD1 4.34Å; Y375-L389 HydrophobicContact CD2-CD1 4.5Å; Y375-L389 HydrophobicContact CD2-CD2 4.4Å; Y375-L389 HydrophobicContact CE2-CD1 4.16Å; F379-L389 HydrophobicContact CB-CD2 4.38Å; F379-L389 HydrophobicContact CD1-CD2 3.73Å; F379-L389 HydrophobicContact CD1-CG 3.87Å; F379-L389 HydrophobicContact CD2-CD2 3.67Å; F379-L389 HydrophobicContact CE1-CD2 3.87Å; F379-L389 HydrophobicContact CE1-CG 4.24Å; F379-L389 HydrophobicContact CE2-CD2 3.85Å; F379-L389 HydrophobicContact CG-CD2 3.64Å; F379-L389 HydrophobicContact CG-CG 4.06Å; F379-L389 HydrophobicContact CZ-CD2 3.94Å; A385-L389 HydrophobicContact CB-CD1 4Å; A385-L389 HydrophobicContact CB-CG 4.24Å; A385-L389 PolarHBondContact O-N 3.19Å; L389-Y392 PolarHBondContact O-N 3.44Å; L389-A393 WeakPolarHBondContact O-CB 3.15Å; L389-A393 PolarHBondContact O-N 3.14Å |
| 390 | S | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.3 | -39.6 | 178.9 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | S386 P387 A393 L394 | S386-S390 WeakPolarHBondContact O-CB 3.39Å; S386-S390 PolarHBondContact O-N 3.16Å; S386-S390 PolarHBondContact O-OG 3.19Å; P387-S390 PolarHBondContact O-N 3.19Å; P387-S390 PolarHBondContact O-OG 2.97Å; S390-A393 PolarHBondContact O-N 2.85Å; S390-L394 WeakPolarHBondContact O-CB 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.46Å; S390-L394 PolarHBondContact O-N 3Å |
| 391 | H | 98.8 | Very high | 98 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 170.9 | 177.8 | -82.3 | 0 | 0 | 0 | 111.9 | L257 K259 E262 V264 P387 A393 L394 T395 | L257-H391 HydrophobicContact CD2-CB 3.83Å; K259-H391 PolarHBondContact O-CE1 3.34Å; K259-H391 PolarHBondContact O-NE2 3.41Å; E262-H391 PolarHBondContact O-NE2 3.18Å; V264-H391 HydrophobicContact CG2-CB 4.31Å; P387-H391 WeakPolarHBondContact O-CB 3.49Å; P387-H391 PolarHBondContact O-N 3.46Å; H391-A393 PolarHBondContact O-N 3.16Å; H391-L394 PolarHBondContact O-N 3.09Å; H391-T395 WeakPolarHBondContact O-CB 3.49Å; H391-T395 WeakPolarHBondContact O-CG2 3.49Å; H391-T395 PolarHBondContact O-N 3.09Å; H391-T395 VanDerWaalsContact O-N 3.08Å; H391-T395 PolarHBondContact O-OG1 3.24Å |
| 392 | Y | 98.7 | Very high | 98.1 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 18% | 0.184 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 178.2 | -169.8 | -95.4 | 0 | 0 | 0 | 111.5 | D208 L211 F379 S388 L389 L394 T395 H396 W400 | D208-Y392 WeakPolarHBondContact OD1-CE1 3.33Å; D208-Y392 PolarHBondContact OD1-OH 3.43Å; L211-Y392 HydrophobicContact CD1-CD1 3.81Å; L211-Y392 HydrophobicContact CD1-CE1 3.83Å; F379-Y392 HydrophobicContact CE1-CG 4.28Å; F379-Y392 AromaticContact CZ-CD1 3.98Å; F379-Y392 HydrophobicContact CZ-CD1 3.98Å; F379-Y392 HydrophobicContact CZ-CD2 4.22Å; F379-Y392 AromaticContact CZ-CG 3.75Å; F379-Y392 HydrophobicContact CZ-CG 3.75Å; S388-Y392 VanDerWaalsContact O-CB 3.31Å; S388-Y392 WeakPolarHBondContact O-CB 3.46Å; S388-Y392 PolarHBondContact O-N 3.02Å; L389-Y392 PolarHBondContact O-N 3.44Å; Y392-L394 PolarHBondContact O-N 3.03Å; Y392-T395 PolarHBondContact O-N 3Å; Y392-T395 PolarHBondContact O-OG1 3.3Å; Y392-T395 VanDerWaalsContact O-OG1 3.07Å; Y392-H396 HydrophobicContact CD1-CB 4.48Å; Y392-H396 AromaticContact CD2-CE1 3.6Å; Y392-H396 AromaticContact CD2-ND1 3.66Å; Y392-H396 HydrophobicContact CE1-CB 4.23Å; Y392-H396 AromaticContact CE2-CD2 3.79Å; Y392-H396 AromaticContact CE2-CE1 3.5Å; Y392-H396 VanDerWaalsContact CE2-CE1 3.5Å; Y392-H396 WeakPolarHBondContact CE2-CE1 3.28Å; Y392-H396 AromaticContact CE2-CG 3.93Å; Y392-H396 AromaticContact CE2-ND1 3.74Å; Y392-H396 AromaticContact CE2-NE2 3.53Å; Y392-H396 AromaticContact CG-ND1 3.95Å; Y392-H396 AromaticContact CZ-CD2 3.72Å; Y392-H396 AromaticContact CZ-CG 3.84Å; Y392-H396 AromaticContact CZ-NE2 3.96Å; Y392-H396 VanDerWaalsContact O-CB 3.29Å; Y392-H396 WeakPolarHBondContact O-CB 3.46Å; Y392-H396 PolarHBondContact O-N 3.18Å; Y392-H396 PolarHBondContact O-ND1 3.12Å; Y392-W400 HydrophobicContact CD1-CZ2 4.08Å; Y392-W400 HydrophobicContact CE1-CZ2 4.09Å |
| 393 | A | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A213 V215 L389 S390 H391 T395 H396 Y397 W400 | A213-A393 HydrophobicContact CB-CB 4.26Å; V215-A393 HydrophobicContact CG2-CB 3.89Å; L389-A393 WeakPolarHBondContact O-CB 3.15Å; L389-A393 PolarHBondContact O-N 3.14Å; S390-A393 PolarHBondContact O-N 2.85Å; H391-A393 PolarHBondContact O-N 3.16Å; A393-T395 VanDerWaalsContact C-N 3.25Å; A393-T395 PolarHBondContact O-N 2.83Å; A393-H396 PolarHBondContact O-N 3.43Å; A393-Y397 WeakPolarHBondContact O-CB 3.31Å; A393-Y397 PolarHBondContact O-N 3.24Å; A393-W400 VanDerWaalsContact CA-CH2 3.47Å; A393-W400 HydrophobicContact CB-CH2 3.58Å; A393-W400 HydrophobicContact CB-CZ3 4.04Å |
| 394 | L | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.6 | -22.6 | -178.9 | -72.7 | 166.8 | 0 | 0 | 0 | 113.6 | V264 A283 R285 E352 C354 S390 H391 Y392 | V264-L394 HydrophobicContact CB-CD1 4.41Å; V264-L394 HydrophobicContact CG1-CD1 3.67Å; V264-L394 HydrophobicContact CG2-CB 4.33Å; V264-L394 HydrophobicContact CG2-CD1 3.79Å; A283-L394 HydrophobicContact CB-CD1 4.32Å; R285-L394 HydrophobicContact CB-CD1 4.42Å; E352-L394 HydrophobicContact CB-CD2 3.99Å; C354-L394 HydrophobicContact CB-CD1 3.98Å; C354-L394 HydrophobicContact CB-CD2 4Å; C354-L394 HydrophobicContact CB-CG 3.76Å; S390-L394 WeakPolarHBondContact O-CB 3.32Å; S390-L394 WeakPolarHBondContact O-CG 3.46Å; S390-L394 PolarHBondContact O-N 3Å; H391-L394 PolarHBondContact O-N 3.09Å; Y392-L394 PolarHBondContact O-N 3.03Å |
| 395 | T | 97.9 | Very high | 98.4 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -93.4 | -20.6 | 177.9 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | E262 H391 Y392 A393 | E262-T395 HydrophobicContact CB-CG2 3.94Å; E262-T395 HydrophobicContact CG-CG2 4.1Å; H391-T395 WeakPolarHBondContact O-CB 3.49Å; H391-T395 WeakPolarHBondContact O-CG2 3.49Å; H391-T395 PolarHBondContact O-N 3.09Å; H391-T395 VanDerWaalsContact O-N 3.08Å; H391-T395 PolarHBondContact O-OG1 3.24Å; Y392-T395 PolarHBondContact O-N 3Å; Y392-T395 PolarHBondContact O-OG1 3.3Å; Y392-T395 VanDerWaalsContact O-OG1 3.07Å; A393-T395 VanDerWaalsContact C-N 3.25Å; A393-T395 PolarHBondContact O-N 2.83Å |
| 396 | H | 98 | Very high | 98.4 | Very high | 69 Ų | 69 | 37.7 Ų | 37.7 | 32% | 0.319 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -113.7 | -13.4 | -173.9 | -65.4 | 70.2 | 0 | 0 | 0 | 115 | Y392 A393 K398 Q399 W400 | Y392-H396 HydrophobicContact CD1-CB 4.48Å; Y392-H396 AromaticContact CD2-CE1 3.6Å; Y392-H396 AromaticContact CD2-ND1 3.66Å; Y392-H396 HydrophobicContact CE1-CB 4.23Å; Y392-H396 AromaticContact CE2-CD2 3.79Å; Y392-H396 AromaticContact CE2-CE1 3.5Å; Y392-H396 VanDerWaalsContact CE2-CE1 3.5Å; Y392-H396 WeakPolarHBondContact CE2-CE1 3.28Å; Y392-H396 AromaticContact CE2-CG 3.93Å; Y392-H396 AromaticContact CE2-ND1 3.74Å; Y392-H396 AromaticContact CE2-NE2 3.53Å; Y392-H396 AromaticContact CG-ND1 3.95Å; Y392-H396 AromaticContact CZ-CD2 3.72Å; Y392-H396 AromaticContact CZ-CG 3.84Å; Y392-H396 AromaticContact CZ-NE2 3.96Å; Y392-H396 VanDerWaalsContact O-CB 3.29Å; Y392-H396 WeakPolarHBondContact O-CB 3.46Å; Y392-H396 PolarHBondContact O-N 3.18Å; Y392-H396 PolarHBondContact O-ND1 3.12Å; A393-H396 PolarHBondContact O-N 3.43Å; H396-K398 PolarHBondContact O-N 3.44Å; H396-Q399 WeakPolarHBondContact O-CA 3.21Å; H396-Q399 WeakPolarHBondContact O-CB 3.48Å; H396-Q399 PolarHBondContact O-N 3.4Å; H396-W400 HydrophobicContact CB-CZ2 4.42Å; H396-W400 PolarHBondContact O-N 3.35Å; H396-W400 VanDerWaalsContact O-N 3.15Å |
| 397 | Y | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.5 | -30.5 | -174 | 81.8 | -90.2 | 0 | 0 | 0 | 114.7 | I198 V215 V217 E352 A393 Q399 W400 E401 | I198-Y397 HydrophobicContact CD1-CD2 4.49Å; V215-Y397 HydrophobicContact CB-CG 4.35Å; V215-Y397 HydrophobicContact CG1-CD1 4.01Å; V215-Y397 HydrophobicContact CG1-CD2 4.23Å; V215-Y397 HydrophobicContact CG1-CE1 4.47Å; V215-Y397 HydrophobicContact CG1-CG 3.86Å; V215-Y397 HydrophobicContact CG2-CG 4.4Å; V217-Y397 HydrophobicContact CG2-CD2 4.1Å; V217-Y397 HydrophobicContact CG2-CE2 3.47Å; V217-Y397 VanDerWaalsContact CG2-CE2 3.47Å; E352-Y397 HydrophobicContact CG-CE1 4.29Å; E352-Y397 PolarHBondContact OE1-OH 3.38Å; A393-Y397 WeakPolarHBondContact O-CB 3.31Å; A393-Y397 PolarHBondContact O-N 3.24Å; Y397-Q399 VanDerWaalsContact C-N 3.28Å; Y397-Q399 PolarHBondContact O-N 3.01Å; Y397-W400 WeakPolarHBondContact O-CA 3.31Å; Y397-W400 WeakPolarHBondContact O-CB 3.43Å; Y397-W400 PolarHBondContact O-N 3.29Å; Y397-W400 VanDerWaalsContact O-N 3.14Å; Y397-E401 HydrophobicContact CD2-CG 4.48Å; Y397-E401 PolarHBondContact O-N 3.47Å |
| 398 | K | 98.1 | Very high | 98.4 | Very high | 119 Ų | 119 | 38.8 Ų | 38.8 | 52% | 0.517 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 176.4 | -65.6 | -177.6 | -177.1 | 173.2 | 0 | 111.6 | E352 H396 K402 | E352-K398 IonicContact OE1-NZ 3.69Å; H396-K398 PolarHBondContact O-N 3.44Å; K398-K402 WeakPolarHBondContact O-CB 3.47Å; K398-K402 PolarHBondContact O-N 3.43Å |
| 399 | Q | 98.5 | Very high | 98.3 | Very high | 100 Ų | 100 | 41.9 Ų | 41.9 | 47% | 0.467 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71.2 | -36.1 | 173 | -178.3 | 56.4 | 37.1 | 0 | 0 | 110.9 | H396 Y397 K402 S403 | H396-Q399 WeakPolarHBondContact O-CA 3.21Å; H396-Q399 WeakPolarHBondContact O-CB 3.48Å; H396-Q399 PolarHBondContact O-N 3.4Å; Y397-Q399 VanDerWaalsContact C-N 3.28Å; Y397-Q399 PolarHBondContact O-N 3.01Å; Q399-K402 PolarHBondContact O-N 3.11Å; Q399-S403 PolarHBondContact NE2-OG 2.94Å; Q399-S403 WeakPolarHBondContact O-CB 3.25Å; Q399-S403 PolarHBondContact O-N 3.32Å; Q399-S403 PolarHBondContact O-OG 3Å |
| 400 | W | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -51 | 171.2 | -54.7 | -21.3 | 0 | 0 | 0 | 111 | I198 P200 I202 D208 L211 V215 Y392 A393 H396 Y397 K402 S403 I404 | I198-W400 HydrophobicContact CG2-CE3 4.49Å; P200-W400 HydrophobicContact CB-CD2 3.81Å; P200-W400 HydrophobicContact CB-CE3 3.78Å; P200-W400 HydrophobicContact CB-CG 4.45Å; P200-W400 HydrophobicContact CB-CH2 3.94Å; P200-W400 HydrophobicContact CB-CZ2 3.99Å; P200-W400 HydrophobicContact CB-CZ3 3.85Å; P200-W400 HydrophobicContact CG-CH2 4.25Å; P200-W400 HydrophobicContact CG-CZ3 4.26Å; I202-W400 HydrophobicContact CD1-CB 4.06Å; I202-W400 HydrophobicContact CD1-CG 4.19Å; D208-W400 VanDerWaalsContact OD2-CD1 3.31Å; D208-W400 PolarHBondContact OD2-NE1 3.09Å; L211-W400 HydrophobicContact CD1-CH2 4.45Å; L211-W400 HydrophobicContact CD1-CZ2 3.97Å; V215-W400 HydrophobicContact CG2-CZ3 4.22Å; Y392-W400 HydrophobicContact CD1-CZ2 4.08Å; Y392-W400 HydrophobicContact CE1-CZ2 4.09Å; A393-W400 VanDerWaalsContact CA-CH2 3.47Å; A393-W400 HydrophobicContact CB-CH2 3.58Å; A393-W400 HydrophobicContact CB-CZ3 4.04Å; H396-W400 HydrophobicContact CB-CZ2 4.42Å; H396-W400 PolarHBondContact O-N 3.35Å; H396-W400 VanDerWaalsContact O-N 3.15Å; Y397-W400 WeakPolarHBondContact O-CA 3.31Å; Y397-W400 WeakPolarHBondContact O-CB 3.43Å; Y397-W400 PolarHBondContact O-N 3.29Å; Y397-W400 VanDerWaalsContact O-N 3.14Å; W400-K402 VanDerWaalsContact C-N 3.33Å; W400-K402 PolarHBondContact O-N 3.27Å; W400-S403 PolarHBondContact O-N 3.04Å; W400-S403 VanDerWaalsContact O-N 3.16Å; W400-I404 HydrophobicContact CB-CD1 4.37Å; W400-I404 WeakPolarHBondContact O-CB 3.25Å; W400-I404 WeakPolarHBondContact O-CD1 3.31Å; W400-I404 WeakPolarHBondContact O-CG1 3.41Å; W400-I404 PolarHBondContact O-N 2.72Å |
| 401 | E | 98.1 | Very high | 98.2 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.5 | -46.7 | 178 | -74.8 | -167.6 | 113.2 | 0 | 0 | 111.7 | R196 I198 Y397 S403 I404 E405 | R196-E401 IonicContact CZ-OE1 3.76Å; R196-E401 VanDerWaalsContact NH1-CD 3.29Å; R196-E401 IonicContact NH1-OE1 3.49Å; R196-E401 PolarHBondContact NH1-OE1 3.04Å; R196-E401 IonicContact NH1-OE2 3.85Å; R196-E401 PolarHBondContact NH1-OE2 3.1Å; I198-E401 HydrophobicContact CG1-CG 3.99Å; I198-E401 HydrophobicContact CG2-CG 4.28Å; Y397-E401 HydrophobicContact CD2-CG 4.48Å; Y397-E401 PolarHBondContact O-N 3.47Å; E401-S403 PolarHBondContact O-N 3.02Å; E401-I404 PolarHBondContact O-N 3.24Å; E401-E405 WeakPolarHBondContact O-CB 3.35Å; E401-E405 VanDerWaalsContact O-CG 3.31Å; E401-E405 WeakPolarHBondContact O-CG 3.17Å; E401-E405 PolarHBondContact O-N 3.32Å |
| 402 | K | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 46% | 0.457 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 176.4 | 179.6 | 179.9 | 170.8 | -173.9 | 0 | 111.5 | K398 Q399 W400 I404 E405 E406 | K398-K402 WeakPolarHBondContact O-CB 3.47Å; K398-K402 PolarHBondContact O-N 3.43Å; Q399-K402 PolarHBondContact O-N 3.11Å; W400-K402 VanDerWaalsContact C-N 3.33Å; W400-K402 PolarHBondContact O-N 3.27Å; K402-I404 VanDerWaalsContact C-N 3.33Å; K402-I404 PolarHBondContact O-N 3.4Å; K402-E405 PolarHBondContact O-N 2.9Å; K402-E406 WeakPolarHBondContact CE-OE1 3.38Å; K402-E406 HydrophobicContact CG-CG 4.49Å; K402-E406 WeakPolarHBondContact CG-OE1 3.46Å; K402-E406 IonicContact NZ-OE1 3.97Å; K402-E406 WeakPolarHBondContact O-CB 2.97Å; K402-E406 VanDerWaalsContact O-CG 3.27Å; K402-E406 WeakPolarHBondContact O-CG 3.45Å; K402-E406 PolarHBondContact O-N 3.22Å |
| 403 | S | 98.6 | Very high | 98 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | -179.8 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | Q399 W400 E401 E405 E406 W407 | Q399-S403 PolarHBondContact NE2-OG 2.94Å; Q399-S403 WeakPolarHBondContact O-CB 3.25Å; Q399-S403 PolarHBondContact O-N 3.32Å; Q399-S403 PolarHBondContact O-OG 3Å; W400-S403 PolarHBondContact O-N 3.04Å; W400-S403 VanDerWaalsContact O-N 3.16Å; E401-S403 PolarHBondContact O-N 3.02Å; S403-E405 PolarHBondContact O-N 2.99Å; S403-E406 PolarHBondContact O-N 2.83Å; S403-W407 PolarHBondContact O-N 3.09Å; S403-W407 VanDerWaalsContact O-N 3.15Å |
| 404 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 175.9 | -68.8 | 159.5 | 0 | 0 | 0 | 110.8 | P178 R179 I198 I202 W400 E401 K402 W407 Q408 | P178-I404 HydrophobicContact CG-CD1 3.64Å; P178-I404 HydrophobicContact CG-CG1 3.87Å; P178-I404 HydrophobicContact CG-CG2 4.01Å; R179-I404 HydrophobicContact CG-CD1 4.38Å; R179-I404 HydrophobicContact CG-CG2 4.46Å; I198-I404 HydrophobicContact CG2-CD1 4.21Å; I202-I404 HydrophobicContact CG1-CG1 4.02Å; W400-I404 HydrophobicContact CB-CD1 4.37Å; W400-I404 WeakPolarHBondContact O-CB 3.25Å; W400-I404 WeakPolarHBondContact O-CD1 3.31Å; W400-I404 WeakPolarHBondContact O-CG1 3.41Å; W400-I404 PolarHBondContact O-N 2.72Å; E401-I404 PolarHBondContact O-N 3.24Å; K402-I404 VanDerWaalsContact C-N 3.33Å; K402-I404 PolarHBondContact O-N 3.4Å; I404-W407 PolarHBondContact O-NE1 2.92Å; I404-Q408 HydrophobicContact CG2-CG 4.48Å; I404-Q408 WeakPolarHBondContact O-CB 3.41Å; I404-Q408 VanDerWaalsContact O-CG 3.24Å; I404-Q408 WeakPolarHBondContact O-CG 3.26Å; I404-Q408 PolarHBondContact O-N 3.48Å; I404-Q408 VanDerWaalsContact O-N 3.16Å |
| 405 | E | 97.9 | Very high | 97.7 | Very high | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 178.3 | -73.9 | 175.9 | -178.1 | 0 | 0 | 112.4 | R179 E401 K402 S403 Q408 R409 | R179-E405 IonicContact CZ-OE1 2.7Å; R179-E405 VanDerWaalsContact NH1-CG 3.34Å; R179-E405 IonicContact NH1-OE1 2.82Å; R179-E405 PolarHBondContact NH1-OE1 2.59Å; R179-E405 VanDerWaalsContact NH2-CG 3.34Å; E401-E405 WeakPolarHBondContact O-CB 3.35Å; E401-E405 VanDerWaalsContact O-CG 3.31Å; E401-E405 WeakPolarHBondContact O-CG 3.17Å; E401-E405 PolarHBondContact O-N 3.32Å; K402-E405 PolarHBondContact O-N 2.9Å; S403-E405 PolarHBondContact O-N 2.99Å; E405-Q408 PolarHBondContact O-N 2.96Å; E405-R409 WeakPolarHBondContact O-CB 3.26Å; E405-R409 PolarHBondContact O-N 2.65Å |
| 406 | E | 98.1 | Very high | 97.5 | Very high | 94 Ų | 94 | 61.4 Ų | 61.4 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 180 | -78.5 | 172 | 176.4 | 0 | 0 | 112.1 | K402 S403 P410 | K402-E406 WeakPolarHBondContact CE-OE1 3.38Å; K402-E406 HydrophobicContact CG-CG 4.49Å; K402-E406 WeakPolarHBondContact CG-OE1 3.46Å; K402-E406 IonicContact NZ-OE1 3.97Å; K402-E406 WeakPolarHBondContact O-CB 2.97Å; K402-E406 VanDerWaalsContact O-CG 3.27Å; K402-E406 WeakPolarHBondContact O-CG 3.45Å; K402-E406 PolarHBondContact O-N 3.22Å; S403-E406 PolarHBondContact O-N 2.83Å; E406-P410 WeakPolarHBondContact O-CD 3.46Å |
| 407 | W | 97.5 | Very high | 97.3 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.1 | -31.8 | 179.8 | 81.8 | -99.7 | 0 | 0 | 0 | 113.1 | P203 S403 I404 P410 F426 L429 L499 W833 | P203-W407 HydrophobicContact CG-CD2 3.66Å; P203-W407 HydrophobicContact CG-CE3 3.8Å; P203-W407 HydrophobicContact CG-CG 3.99Å; P203-W407 HydrophobicContact CG-CH2 4.3Å; P203-W407 HydrophobicContact CG-CZ2 4.24Å; P203-W407 HydrophobicContact CG-CZ3 4.05Å; S403-W407 PolarHBondContact O-N 3.09Å; S403-W407 VanDerWaalsContact O-N 3.15Å; I404-W407 PolarHBondContact O-NE1 2.92Å; W407-P410 WeakPolarHBondContact O-CD 3.48Å; W407-F426 AromaticContact CE3-CE1 3.97Å; W407-F426 HydrophobicContact CE3-CE1 3.97Å; W407-F426 AromaticContact CH2-CD1 3.37Å; W407-F426 HydrophobicContact CH2-CD1 3.37Å; W407-F426 AromaticContact CH2-CE1 3.45Å; W407-F426 HydrophobicContact CH2-CE1 3.45Å; W407-F426 VanDerWaalsContact CH2-CE1 3.45Å; W407-F426 HydrophobicContact CZ2-CD1 4.1Å; W407-F426 HydrophobicContact CZ2-CE1 4.22Å; W407-F426 AromaticContact CZ3-CD1 3.75Å; W407-F426 HydrophobicContact CZ3-CD1 3.75Å; W407-F426 AromaticContact CZ3-CE1 3.32Å; W407-F426 HydrophobicContact CZ3-CE1 3.32Å; W407-L429 HydrophobicContact CH2-CD1 3.7Å; W407-L429 HydrophobicContact CZ3-CD1 4.45Å; W407-L499 HydrophobicContact CZ3-CD2 4.25Å; W407-W833 HydrophobicContact CH2-CZ2 4.42Å; W407-W833 AromaticContact CZ3-CH2 3.81Å; W407-W833 HydrophobicContact CZ3-CH2 3.81Å; W407-W833 HydrophobicContact CZ3-CZ2 4.03Å |
| 408 | Q | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.1 | -32 | 177.6 | -67.8 | -177.6 | -31.5 | 0 | 0 | 112.4 | Y177 R179 I404 E405 I411 L412 F426 | Y177-Q408 PolarHBondContact O-NE2 3.49Å; R179-Q408 VanDerWaalsContact NH2-OE1 3.11Å; I404-Q408 HydrophobicContact CG2-CG 4.48Å; I404-Q408 WeakPolarHBondContact O-CB 3.41Å; I404-Q408 VanDerWaalsContact O-CG 3.24Å; I404-Q408 WeakPolarHBondContact O-CG 3.26Å; I404-Q408 PolarHBondContact O-N 3.48Å; I404-Q408 VanDerWaalsContact O-N 3.16Å; E405-Q408 PolarHBondContact O-N 2.96Å; Q408-I411 PolarHBondContact O-N 2.91Å; Q408-L412 HydrophobicContact CB-CD1 3.71Å; Q408-L412 HydrophobicContact CB-CG 4.17Å; Q408-L412 WeakPolarHBondContact O-CG 3.2Å; Q408-L412 PolarHBondContact O-N 3.2Å; Q408-F426 HydrophobicContact CB-CE1 4.14Å; Q408-F426 HydrophobicContact CB-CE2 4.41Å; Q408-F426 HydrophobicContact CB-CZ 3.86Å; Q408-F426 HydrophobicContact CG-CD1 4.04Å; Q408-F426 HydrophobicContact CG-CE1 3.65Å; Q408-F426 HydrophobicContact CG-CE2 4.49Å; Q408-F426 HydrophobicContact CG-CZ 3.89Å |
| 409 | R | 97.9 | Very high | 97 | Very high | 112 Ų | 112 | 56.5 Ų | 56.5 | 42% | 0.423 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.5 | -46.7 | -169.8 | 178.7 | -172.1 | -46.1 | -125.6 | -2.8 | 114.9 | E405 I411 L412 Q413 | E405-R409 WeakPolarHBondContact O-CB 3.26Å; E405-R409 PolarHBondContact O-N 2.65Å; R409-I411 VanDerWaalsContact C-N 3.3Å; R409-I411 PolarHBondContact O-N 2.84Å; R409-L412 PolarHBondContact O-N 3.41Å; R409-Q413 HydrophobicContact CG-CG 3.95Å; R409-Q413 VanDerWaalsContact O-CB 3.32Å; R409-Q413 WeakPolarHBondContact O-CB 3.39Å; R409-Q413 WeakPolarHBondContact O-CG 3.41Å; R409-Q413 PolarHBondContact O-N 2.69Å |
| 410 | P | 97.4 | Very high | 96.9 | Very high | 89 Ų | 89 | 52.4 Ų | 52.4 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57 | -43.7 | -177.8 | -25.9 | 35.7 | 0 | 0 | 0 | 112.6 | E406 W407 D414 | E406-P410 WeakPolarHBondContact O-CD 3.46Å; W407-P410 WeakPolarHBondContact O-CD 3.48Å; P410-D414 PolarHBondContact O-N 3.21Å |
| 411 | I | 97.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.3 | -43.2 | 179.1 | -64.9 | 160.8 | 0 | 0 | 0 | 110.7 | Q408 R409 Q413 D414 L417 K422 L425 F426 W833 Q836 | Q408-I411 PolarHBondContact O-N 2.91Å; R409-I411 VanDerWaalsContact C-N 3.3Å; R409-I411 PolarHBondContact O-N 2.84Å; I411-Q413 VanDerWaalsContact C-N 3.3Å; I411-Q413 PolarHBondContact O-N 3.34Å; I411-D414 PolarHBondContact O-N 3.35Å; I411-L417 HydrophobicContact CG2-CD1 3.93Å; I411-K422 HydrophobicContact CG2-CG 4.41Å; I411-K422 VanDerWaalsContact O-CE 3.25Å; I411-K422 WeakPolarHBondContact O-CE 3.45Å; I411-L425 HydrophobicContact CD1-CD2 3.86Å; I411-L425 HydrophobicContact CG2-CD2 3.97Å; I411-F426 HydrophobicContact CB-CE2 4.33Å; I411-F426 HydrophobicContact CB-CZ 3.94Å; I411-F426 HydrophobicContact CD1-CE1 4.33Å; I411-F426 HydrophobicContact CD1-CZ 3.94Å; I411-F426 HydrophobicContact CG2-CE2 3.98Å; I411-F426 HydrophobicContact CG2-CZ 4Å; I411-W833 HydrophobicContact CD1-CH2 4.44Å; I411-Q836 HydrophobicContact CD1-CG 4.37Å |
| 412 | L | 97.4 | Very high | 96.8 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -35.3 | -179.1 | -67.9 | 179.3 | 0 | 0 | 0 | 112.7 | E29 L176 Q408 R409 K422 F426 | E29-L412 HydrophobicContact CB-CD2 3.85Å; E29-L412 HydrophobicContact CG-CD2 4.15Å; L176-L412 HydrophobicContact CD1-CD2 4.44Å; L176-L412 HydrophobicContact CD2-CD1 3.86Å; L176-L412 HydrophobicContact CD2-CD2 4.2Å; Q408-L412 HydrophobicContact CB-CD1 3.71Å; Q408-L412 HydrophobicContact CB-CG 4.17Å; Q408-L412 WeakPolarHBondContact O-CG 3.2Å; Q408-L412 PolarHBondContact O-N 3.2Å; R409-L412 PolarHBondContact O-N 3.41Å; L412-K422 HydrophobicContact CD2-CB 4.2Å; L412-K422 HydrophobicContact CD2-CD 4.35Å; L412-K422 PolarHBondContact O-NZ 3.11Å; L412-F426 HydrophobicContact CD2-CD2 4.07Å; L412-F426 HydrophobicContact CD2-CE2 3.56Å; L412-F426 HydrophobicContact CG-CE2 3.88Å; L412-F426 HydrophobicContact CG-CZ 4.46Å |
| 413 | Q | 96.3 | Very high | 96.8 | Very high | 135 Ų | 135 | 46.7 Ų | 46.7 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -83.1 | -14.8 | 180 | -68.9 | -175.4 | -21 | 0 | 0 | 113.6 | R409 I411 S415 | R409-Q413 HydrophobicContact CG-CG 3.95Å; R409-Q413 VanDerWaalsContact O-CB 3.32Å; R409-Q413 WeakPolarHBondContact O-CB 3.39Å; R409-Q413 WeakPolarHBondContact O-CG 3.41Å; R409-Q413 PolarHBondContact O-N 2.69Å; I411-Q413 VanDerWaalsContact C-N 3.3Å; I411-Q413 PolarHBondContact O-N 3.34Å; Q413-S415 PolarHBondContact O-N 2.9Å |
| 414 | D | 95.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | trans | -67.1 | 106.8 | 174.7 | -171.1 | -18 | 0 | 0 | 0 | 110.2 | P410 I411 S416 L417 K422 | P410-D414 PolarHBondContact O-N 3.21Å; I411-D414 PolarHBondContact O-N 3.35Å; D414-S416 VanDerWaalsContact CG-OG 3.25Å; D414-S416 PolarHBondContact O-N 2.99Å; D414-S416 WeakPolarHBondContact OD1-CA 3.48Å; D414-S416 VanDerWaalsContact OD1-CB 3.22Å; D414-S416 WeakPolarHBondContact OD1-CB 3.31Å; D414-S416 PolarHBondContact OD1-N 2.78Å; D414-S416 PolarHBondContact OD1-OG 3.23Å; D414-S416 PolarHBondContact OD2-OG 3.38Å; D414-L417 HydrophobicContact CB-CD1 3.98Å; D414-L417 HydrophobicContact CB-CG 4.06Å; D414-L417 PolarHBondContact O-N 3.17Å; D414-K422 VanDerWaalsContact O-CE 3.27Å; D414-K422 WeakPolarHBondContact O-CE 3.45Å; D414-K422 PolarHBondContact O-NZ 3.25Å | ||
| 415 | S | 94.4 | Very high | 96.8 | Very high | 120 Ų | 120 | 45.4 Ų | 45.4 | 84% | 0.839 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -13.6 | 179.7 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | Q413 L417 | Q413-S415 PolarHBondContact O-N 2.9Å; S415-L417 VanDerWaalsContact C-N 3.27Å |
| 416 | S | 93 | Very high | 96.8 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 49% | 0.49 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.4 | 174.6 | 77.6 | 0 | 0 | 0 | 0 | 112.2 | D414 | D414-S416 VanDerWaalsContact CG-OG 3.25Å; D414-S416 PolarHBondContact O-N 2.99Å; D414-S416 WeakPolarHBondContact OD1-CA 3.48Å; D414-S416 VanDerWaalsContact OD1-CB 3.22Å; D414-S416 WeakPolarHBondContact OD1-CB 3.31Å; D414-S416 PolarHBondContact OD1-N 2.78Å; D414-S416 PolarHBondContact OD1-OG 3.23Å; D414-S416 PolarHBondContact OD2-OG 3.38Å |
| 417 | L | 95.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -89.2 | 130.5 | 179.2 | -60.7 | -179.1 | 0 | 0 | 0 | 111.4 | I411 D414 S415 Y421 K422 M791 L839 | I411-L417 HydrophobicContact CG2-CD1 3.93Å; D414-L417 HydrophobicContact CB-CD1 3.98Å; D414-L417 HydrophobicContact CB-CG 4.06Å; D414-L417 PolarHBondContact O-N 3.17Å; S415-L417 VanDerWaalsContact C-N 3.27Å; L417-Y421 HydrophobicContact CB-CD1 4.28Å; L417-Y421 HydrophobicContact CD1-CD1 4.25Å; L417-Y421 HydrophobicContact CD1-CE1 4.1Å; L417-Y421 HydrophobicContact CD2-CD1 4.15Å; L417-Y421 HydrophobicContact CD2-CE1 4.18Å; L417-Y421 HydrophobicContact CG-CD1 4.47Å; L417-K422 HydrophobicContact CB-CG 4.44Å; L417-K422 VanDerWaalsContact O-CE 3.24Å; L417-K422 WeakPolarHBondContact O-CE 3.44Å; L417-K422 PolarHBondContact O-NZ 3.28Å; L417-M791 HydrophobicContact CD2-CE 4.18Å; L417-L839 HydrophobicContact CD2-CD1 3.86Å |
| 418 | P | 95.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | trans | -73.5 | 150.4 | -179.3 | 29.6 | -34 | 0 | 0 | 0 | 112.2 | M1 W420 Y421 K422 M791 | M1-P418 HydrophobicContact SD-CB 4.5Å; M1-P418 HydrophobicContact SD-CG 4.43Å; P418-W420 VanDerWaalsContact C-N 3.29Å; P418-W420 HydrophobicContact CB-CG 4.48Å; P418-W420 HydrophobicContact CG-CD2 4.49Å; P418-W420 HydrophobicContact CG-CG 4.5Å; P418-W420 HydrophobicContact CG-CZ2 4.11Å; P418-W420 VanDerWaalsContact CG-NE1 3.3Å; P418-W420 PolarHBondContact O-N 3.27Å; P418-Y421 WeakPolarHBondContact O-CB 3.33Å; P418-Y421 PolarHBondContact O-N 2.95Å; P418-K422 PolarHBondContact O-N 3.4Å; P418-M791 HydrophobicContact CG-SD 4.47Å | ||
| 419 | P | 94.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 35 Ų | 35 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -53.4 | -39.1 | 179.3 | -32.7 | 38.4 | 0 | 0 | 0 | 115.2 | E29 Y421 K422 S423 | E29-P419 WeakPolarHBondContact OE2-CA 3.35Å; E29-P419 WeakPolarHBondContact OE2-CB 3.27Å; P419-Y421 VanDerWaalsContact C-N 3.27Å; P419-Y421 PolarHBondContact O-N 3.1Å; P419-K422 PolarHBondContact O-N 2.79Å; P419-S423 PolarHBondContact O-N 3.47Å |
| 420 | W | 95.3 | Very high | 97 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -38.1 | 179.9 | 75 | -106.4 | 0 | 0 | 0 | 111.4 | P418 S423 A424 M791 A794 E795 Y798 M835 | P418-W420 VanDerWaalsContact C-N 3.29Å; P418-W420 HydrophobicContact CB-CG 4.48Å; P418-W420 HydrophobicContact CG-CD2 4.49Å; P418-W420 HydrophobicContact CG-CG 4.5Å; P418-W420 HydrophobicContact CG-CZ2 4.11Å; P418-W420 VanDerWaalsContact CG-NE1 3.3Å; P418-W420 PolarHBondContact O-N 3.27Å; W420-S423 WeakPolarHBondContact O-CB 3.44Å; W420-S423 PolarHBondContact O-N 2.95Å; W420-A424 WeakPolarHBondContact O-CB 3.4Å; W420-A424 PolarHBondContact O-N 2.92Å; W420-M791 HydrophobicContact CH2-SD 4.27Å; W420-M791 HydrophobicContact CZ2-CB 4.47Å; W420-M791 WeakPolarHBondContact CZ2-O 3.34Å; W420-M791 HydrophobicContact CZ2-SD 3.9Å; W420-A794 HydrophobicContact CH2-CB 3.6Å; W420-A794 HydrophobicContact CZ3-CB 4.09Å; W420-E795 HydrophobicContact CD2-CB 4.05Å; W420-E795 HydrophobicContact CD2-CG 4.02Å; W420-E795 HydrophobicContact CG-CG 4.09Å; W420-E795 HydrophobicContact CH2-CB 4.25Å; W420-E795 HydrophobicContact CZ2-CB 3.67Å; W420-E795 HydrophobicContact CZ2-CG 4.42Å; W420-Y798 HydrophobicContact CB-CD1 3.7Å; W420-Y798 HydrophobicContact CB-CE1 3.67Å; W420-Y798 HydrophobicContact CE3-CD1 4.1Å; W420-Y798 AromaticContact CE3-CG 3.99Å; W420-Y798 HydrophobicContact CE3-CG 3.99Å; W420-Y798 HydrophobicContact CG-CD1 4.43Å; W420-M835 HydrophobicContact CH2-CE 4.42Å |
| 421 | Y | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.3 | -45 | -178.5 | 172.9 | -109.4 | 0 | 0 | 0 | 110.6 | L417 P418 P419 S423 A424 L425 V832 M835 Q836 L839 | L417-Y421 HydrophobicContact CB-CD1 4.28Å; L417-Y421 HydrophobicContact CD1-CD1 4.25Å; L417-Y421 HydrophobicContact CD1-CE1 4.1Å; L417-Y421 HydrophobicContact CD2-CD1 4.15Å; L417-Y421 HydrophobicContact CD2-CE1 4.18Å; L417-Y421 HydrophobicContact CG-CD1 4.47Å; P418-Y421 WeakPolarHBondContact O-CB 3.33Å; P418-Y421 PolarHBondContact O-N 2.95Å; P419-Y421 VanDerWaalsContact C-N 3.27Å; P419-Y421 PolarHBondContact O-N 3.1Å; Y421-S423 VanDerWaalsContact C-N 3.26Å; Y421-S423 PolarHBondContact O-N 3.38Å; Y421-A424 PolarHBondContact O-N 3.17Å; Y421-L425 HydrophobicContact CE1-CD2 4.24Å; Y421-L425 WeakPolarHBondContact O-CB 3.37Å; Y421-L425 PolarHBondContact O-N 2.99Å; Y421-V832 HydrophobicContact CE2-CG2 4.05Å; Y421-M835 HydrophobicContact CD2-CE 4.01Å; Y421-M835 HydrophobicContact CE2-CB 4.05Å; Y421-M835 HydrophobicContact CE2-CE 3.81Å; Y421-M835 HydrophobicContact CE2-SD 4.12Å; Y421-Q836 VanDerWaalsContact OH-CA 3.31Å; Y421-Q836 WeakPolarHBondContact OH-CA 3.33Å; Y421-Q836 WeakPolarHBondContact OH-CB 3.42Å; Y421-Q836 PolarHBondContact OH-N 3.01Å; Y421-Q836 VanDerWaalsContact OH-N 3.16Å; Y421-Q836 PolarHBondContact OH-OE1 3.48Å; Y421-L839 HydrophobicContact CE1-CD1 3.85Å |
| 422 | K | 97.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.7 | -44 | 174.6 | -63 | 173.2 | -178.2 | -179.6 | 0 | 110.8 | E29 I411 L412 D414 L417 P418 P419 F426 | E29-K422 HydrophobicContact CB-CD 4.47Å; E29-K422 HydrophobicContact CG-CD 3.93Å; I411-K422 HydrophobicContact CG2-CG 4.41Å; I411-K422 VanDerWaalsContact O-CE 3.25Å; I411-K422 WeakPolarHBondContact O-CE 3.45Å; L412-K422 HydrophobicContact CD2-CB 4.2Å; L412-K422 HydrophobicContact CD2-CD 4.35Å; L412-K422 PolarHBondContact O-NZ 3.11Å; D414-K422 VanDerWaalsContact O-CE 3.27Å; D414-K422 WeakPolarHBondContact O-CE 3.45Å; D414-K422 PolarHBondContact O-NZ 3.25Å; L417-K422 HydrophobicContact CB-CG 4.44Å; L417-K422 VanDerWaalsContact O-CE 3.24Å; L417-K422 WeakPolarHBondContact O-CE 3.44Å; L417-K422 PolarHBondContact O-NZ 3.28Å; P418-K422 PolarHBondContact O-N 3.4Å; P419-K422 PolarHBondContact O-N 2.79Å; K422-F426 WeakPolarHBondContact O-CD2 3.31Å; K422-F426 PolarHBondContact O-N 3.48Å |
| 423 | S | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -51 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | W31 P419 W420 Y421 N427 Y798 | W31-S423 PolarHBondContact N-OG 3.43Å; P419-S423 PolarHBondContact O-N 3.47Å; W420-S423 WeakPolarHBondContact O-CB 3.44Å; W420-S423 PolarHBondContact O-N 2.95Å; Y421-S423 VanDerWaalsContact C-N 3.26Å; Y421-S423 PolarHBondContact O-N 3.38Å; S423-N427 WeakPolarHBondContact O-CB 3.48Å; S423-N427 PolarHBondContact O-N 3.01Å; S423-N427 PolarHBondContact O-ND2 2.93Å; S423-N427 PolarHBondContact OG-ND2 3.41Å; S423-Y798 WeakPolarHBondContact CB-OH 3.27Å; S423-Y798 PolarHBondContact OG-OH 3.19Å |
| 424 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.5 | -50.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | W420 Y421 F426 N427 E428 Y798 V832 | W420-A424 WeakPolarHBondContact O-CB 3.4Å; W420-A424 PolarHBondContact O-N 2.92Å; Y421-A424 PolarHBondContact O-N 3.17Å; A424-F426 VanDerWaalsContact C-N 3.35Å; A424-F426 PolarHBondContact O-N 3.44Å; A424-N427 PolarHBondContact O-N 3.38Å; A424-E428 WeakPolarHBondContact O-CB 3.45Å; A424-E428 VanDerWaalsContact O-CG 3.25Å; A424-E428 WeakPolarHBondContact O-CG 3.37Å; A424-E428 PolarHBondContact O-N 3.46Å; A424-Y798 HydrophobicContact CB-CD2 3.52Å; A424-Y798 HydrophobicContact CB-CE2 3.98Å; A424-Y798 HydrophobicContact CB-CG 4.24Å; A424-V832 HydrophobicContact CB-CG2 4.37Å |
| 425 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | -174.5 | -176.7 | 70.2 | 0 | 0 | 0 | 112.3 | I411 Y421 V832 W833 Q836 | I411-L425 HydrophobicContact CD1-CD2 3.86Å; I411-L425 HydrophobicContact CG2-CD2 3.97Å; Y421-L425 HydrophobicContact CE1-CD2 4.24Å; Y421-L425 WeakPolarHBondContact O-CB 3.37Å; Y421-L425 PolarHBondContact O-N 2.99Å; L425-V832 HydrophobicContact CB-CG2 4.38Å; L425-V832 HydrophobicContact CD1-CG1 4.24Å; L425-V832 HydrophobicContact CD1-CG2 4.15Å; L425-W833 HydrophobicContact CD1-CD2 3.78Å; L425-W833 HydrophobicContact CD1-CE3 4.35Å; L425-W833 HydrophobicContact CD1-CG 3.96Å; L425-W833 HydrophobicContact CD1-CH2 4.49Å; L425-W833 HydrophobicContact CD1-CZ2 3.98Å; L425-W833 HydrophobicContact CD2-CH2 4.36Å; L425-W833 HydrophobicContact CD2-CZ2 4.27Å; L425-W833 HydrophobicContact CG-CH2 4.34Å; L425-W833 HydrophobicContact CG-CZ2 3.79Å; L425-W833 PolarHBondContact O-NE1 2.85Å; L425-Q836 HydrophobicContact CD1-CB 3.99Å; L425-Q836 HydrophobicContact CD2-CB 4.36Å; L425-Q836 HydrophobicContact CD2-CG 4.29Å |
| 426 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -80.1 | -43.1 | -179.3 | -66.8 | -58.4 | 0 | 0 | 0 | 112.3 | L176 W407 Q408 I411 L412 K422 A424 E428 L429 | L176-F426 HydrophobicContact CD1-CB 3.9Å; L176-F426 HydrophobicContact CD1-CD2 3.72Å; L176-F426 HydrophobicContact CD1-CG 4.15Å; L176-F426 HydrophobicContact CG-CB 4.49Å; L176-F426 HydrophobicContact CG-CD2 4.48Å; W407-F426 AromaticContact CE3-CE1 3.97Å; W407-F426 HydrophobicContact CE3-CE1 3.97Å; W407-F426 AromaticContact CH2-CD1 3.37Å; W407-F426 HydrophobicContact CH2-CD1 3.37Å; W407-F426 AromaticContact CH2-CE1 3.45Å; W407-F426 HydrophobicContact CH2-CE1 3.45Å; W407-F426 VanDerWaalsContact CH2-CE1 3.45Å; W407-F426 HydrophobicContact CZ2-CD1 4.1Å; W407-F426 HydrophobicContact CZ2-CE1 4.22Å; W407-F426 AromaticContact CZ3-CD1 3.75Å; W407-F426 HydrophobicContact CZ3-CD1 3.75Å; W407-F426 AromaticContact CZ3-CE1 3.32Å; W407-F426 HydrophobicContact CZ3-CE1 3.32Å; Q408-F426 HydrophobicContact CB-CE1 4.14Å; Q408-F426 HydrophobicContact CB-CE2 4.41Å; Q408-F426 HydrophobicContact CB-CZ 3.86Å; Q408-F426 HydrophobicContact CG-CD1 4.04Å; Q408-F426 HydrophobicContact CG-CE1 3.65Å; Q408-F426 HydrophobicContact CG-CE2 4.49Å; Q408-F426 HydrophobicContact CG-CZ 3.89Å; I411-F426 HydrophobicContact CB-CE2 4.33Å; I411-F426 HydrophobicContact CB-CZ 3.94Å; I411-F426 HydrophobicContact CD1-CE1 4.33Å; I411-F426 HydrophobicContact CD1-CZ 3.94Å; I411-F426 HydrophobicContact CG2-CE2 3.98Å; I411-F426 HydrophobicContact CG2-CZ 4Å; L412-F426 HydrophobicContact CD2-CD2 4.07Å; L412-F426 HydrophobicContact CD2-CE2 3.56Å; L412-F426 HydrophobicContact CG-CE2 3.88Å; L412-F426 HydrophobicContact CG-CZ 4.46Å; K422-F426 WeakPolarHBondContact O-CD2 3.31Å; K422-F426 PolarHBondContact O-N 3.48Å; A424-F426 VanDerWaalsContact C-N 3.35Å; A424-F426 PolarHBondContact O-N 3.44Å; F426-E428 PolarHBondContact O-N 2.85Å; F426-L429 WeakPolarHBondContact O-CB 3.37Å; F426-L429 PolarHBondContact O-N 3.14Å |
| 427 | N | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -73.5 | -28.2 | -173.7 | -70.6 | -49.5 | 0 | 0 | 0 | 113.6 | A175 L176 Y177 S423 A424 L429 Y430 W802 F809 | A175-N427 PolarHBondContact O-ND2 3.11Å; A175-N427 PolarHBondContact O-OD1 3.29Å; L176-N427 WeakPolarHBondContact CA-OD1 3.45Å; L176-N427 PolarHBondContact N-OD1 3.27Å; Y177-N427 PolarHBondContact N-OD1 2.91Å; S423-N427 WeakPolarHBondContact O-CB 3.48Å; S423-N427 PolarHBondContact O-N 3.01Å; S423-N427 PolarHBondContact O-ND2 2.93Å; S423-N427 PolarHBondContact OG-ND2 3.41Å; A424-N427 PolarHBondContact O-N 3.38Å; N427-L429 PolarHBondContact O-N 3.23Å; N427-Y430 WeakPolarHBondContact O-CB 3.44Å; N427-Y430 VanDerWaalsContact O-CD1 3.25Å; N427-Y430 WeakPolarHBondContact O-CD1 3.43Å; N427-Y430 PolarHBondContact O-N 3.38Å; N427-W802 HydrophobicContact CB-CH2 3.37Å; N427-W802 HydrophobicContact CB-CZ2 4.01Å; N427-W802 HydrophobicContact CB-CZ3 3.76Å; N427-F809 HydrophobicContact CB-CE1 4.18Å; N427-F809 HydrophobicContact CB-CZ 4.23Å |
| 428 | E | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 5.2 Ų | 5.2 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.6 | 173.7 | -69.3 | -64.3 | 168.5 | 0 | 0 | 112.8 | A424 F426 Y430 F431 W802 T811 L830 V832 | A424-E428 WeakPolarHBondContact O-CB 3.45Å; A424-E428 VanDerWaalsContact O-CG 3.25Å; A424-E428 WeakPolarHBondContact O-CG 3.37Å; A424-E428 PolarHBondContact O-N 3.46Å; F426-E428 PolarHBondContact O-N 2.85Å; E428-Y430 WeakPolarHBondContact O-CD1 3.27Å; E428-Y430 PolarHBondContact O-N 3.37Å; E428-F431 PolarHBondContact O-N 2.94Å; E428-W802 HydrophobicContact CG-CZ2 4.44Å; E428-W802 PolarHBondContact OE1-NE1 3.2Å; E428-T811 VanDerWaalsContact CD-OG1 3.31Å; E428-T811 WeakPolarHBondContact OE1-CG2 3.42Å; E428-T811 PolarHBondContact OE1-OG1 3.18Å; E428-T811 WeakPolarHBondContact OE2-CB 3.49Å; E428-T811 PolarHBondContact OE2-OG1 3.43Å; E428-L830 VanDerWaalsContact O-CD2 3.26Å; E428-L830 WeakPolarHBondContact O-CD2 3.39Å; E428-V832 HydrophobicContact CB-CG1 3.96Å; E428-V832 HydrophobicContact CG-CG1 4.24Å |
| 429 | L | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 4.4 Ų | 4.4 | 1% | 0.01 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.7 | 174.9 | -71.6 | 174.9 | 0 | 0 | 0 | 113.9 | Y177 W407 F426 N427 F431 V432 A495 L499 W500 L830 W833 | Y177-L429 HydrophobicContact CD1-CB 3.78Å; Y177-L429 HydrophobicContact CE1-CB 4.08Å; W407-L429 HydrophobicContact CH2-CD1 3.7Å; W407-L429 HydrophobicContact CZ3-CD1 4.45Å; F426-L429 WeakPolarHBondContact O-CB 3.37Å; F426-L429 PolarHBondContact O-N 3.14Å; N427-L429 PolarHBondContact O-N 3.23Å; L429-F431 PolarHBondContact O-N 3.25Å; L429-V432 HydrophobicContact CD2-CG2 4.26Å; L429-V432 WeakPolarHBondContact O-CB 3.45Å; L429-V432 PolarHBondContact O-N 2.65Å; L429-A495 HydrophobicContact CD2-CB 3.86Å; L429-L499 HydrophobicContact CD1-CD1 3.71Å; L429-L499 HydrophobicContact CD2-CD1 3.67Å; L429-L499 HydrophobicContact CG-CD1 4.34Å; L429-W500 HydrophobicContact CD2-CZ3 4.34Å; L429-L830 HydrophobicContact CD2-CD2 4.22Å; L429-W833 HydrophobicContact CD1-CZ2 3.67Å; L429-W833 HydrophobicContact CD2-CZ2 4.48Å; L429-W833 VanDerWaalsContact CD2-NE1 3.28Å; L429-W833 HydrophobicContact CG-CZ2 4.28Å |
| 430 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -49.5 | -34.2 | 174.6 | 88.8 | -82.5 | 0 | 0 | 0 | 112.1 | P98 N427 E428 V432 A433 D434 F809 Q810 T811 A825 | P98-Y430 HydrophobicContact CG-CD2 4.27Å; N427-Y430 WeakPolarHBondContact O-CB 3.44Å; N427-Y430 VanDerWaalsContact O-CD1 3.25Å; N427-Y430 WeakPolarHBondContact O-CD1 3.43Å; N427-Y430 PolarHBondContact O-N 3.38Å; E428-Y430 WeakPolarHBondContact O-CD1 3.27Å; E428-Y430 PolarHBondContact O-N 3.37Å; Y430-V432 VanDerWaalsContact C-N 3.26Å; Y430-V432 PolarHBondContact O-N 3.35Å; Y430-A433 PolarHBondContact O-N 3.23Å; Y430-D434 HydrophobicContact CD2-CB 4.08Å; Y430-D434 WeakPolarHBondContact O-CB 3.4Å; Y430-D434 PolarHBondContact O-N 2.96Å; Y430-F809 HydrophobicContact CD1-CD1 4.08Å; Y430-F809 HydrophobicContact CD2-CB 4.2Å; Y430-F809 HydrophobicContact CD2-CD1 4.16Å; Y430-F809 HydrophobicContact CE2-CB 4.32Å; Y430-F809 WeakPolarHBondContact CE2-O 3.5Å; Y430-F809 HydrophobicContact CG-CB 4.44Å; Y430-F809 AromaticContact CG-CD1 3.68Å; Y430-F809 HydrophobicContact CG-CD1 3.68Å; Y430-F809 PolarHBondContact OH-O 3.03Å; Y430-Q810 WeakPolarHBondContact OH-CA 3.43Å; Y430-Q810 PolarHBondContact OH-N 3.23Å; Y430-T811 PolarHBondContact OH-N 2.76Å; Y430-A825 WeakPolarHBondContact OH-CA 3.09Å |
| 431 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -69.6 | -21.6 | -175.6 | -162.1 | -95.3 | 0 | 0 | 0 | 113.2 | E428 L429 A433 G435 Y474 L475 A825 M827 L830 | E428-F431 PolarHBondContact O-N 2.94Å; L429-F431 PolarHBondContact O-N 3.25Å; F431-A433 PolarHBondContact O-N 2.66Å; F431-G435 VanDerWaalsContact CZ-CA 3.5Å; F431-G435 WeakPolarHBondContact O-CA 3.42Å; F431-G435 PolarHBondContact O-N 3.36Å; F431-Y474 HydrophobicContact CD1-CD2 4.2Å; F431-Y474 AromaticContact CE1-CD2 3.95Å; F431-Y474 HydrophobicContact CE1-CD2 3.95Å; F431-Y474 HydrophobicContact CE1-CE2 4.46Å; F431-L475 VanDerWaalsContact CE1-O 3.26Å; F431-L475 WeakPolarHBondContact CE1-O 3.34Å; F431-L475 WeakPolarHBondContact CZ-O 3.18Å; F431-A825 HydrophobicContact CE2-CB 4.23Å; F431-A825 WeakPolarHBondContact CE2-O 3.48Å; F431-M827 HydrophobicContact CD1-CB 3.85Å; F431-M827 HydrophobicContact CE1-CB 3.35Å; F431-M827 HydrophobicContact CZ-CB 4.18Å; F431-L830 HydrophobicContact CB-CD1 4.42Å; F431-L830 HydrophobicContact CB-CD2 4.41Å; F431-L830 HydrophobicContact CB-CG 4.44Å; F431-L830 HydrophobicContact CD1-CD1 4.12Å |
| 432 | V | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 3.8 Ų | 3.8 | 1% | 0.012 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -63.7 | -33 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 111 | I102 L429 Y430 T437 L496 W500 L830 | I102-V432 HydrophobicContact CD1-CG1 3.76Å; I102-V432 HydrophobicContact CG1-CG1 4.09Å; I102-V432 HydrophobicContact CG2-CG1 4.39Å; L429-V432 HydrophobicContact CD2-CG2 4.26Å; L429-V432 WeakPolarHBondContact O-CB 3.45Å; L429-V432 PolarHBondContact O-N 2.65Å; Y430-V432 VanDerWaalsContact C-N 3.26Å; Y430-V432 PolarHBondContact O-N 3.35Å; V432-T437 WeakPolarHBondContact O-CB 3.4Å; V432-T437 WeakPolarHBondContact O-CG2 3.25Å; V432-T437 PolarHBondContact O-OG1 2.98Å; V432-L496 HydrophobicContact CG1-CD2 3.94Å; V432-L496 HydrophobicContact CG2-CD2 4.38Å; V432-W500 HydrophobicContact CB-CZ3 4.34Å; V432-W500 HydrophobicContact CG1-CE3 4.17Å; V432-W500 HydrophobicContact CG1-CH2 4.48Å; V432-W500 HydrophobicContact CG1-CZ3 3.93Å; V432-W500 HydrophobicContact CG2-CZ3 4.12Å; V432-L830 HydrophobicContact CG2-CD1 4.12Å; V432-L830 HydrophobicContact CG2-CD2 4Å |
| 433 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -94.3 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T106 Y177 Y430 F431 G435 T437 | T106-A433 HydrophobicContact CG2-CB 3.88Å; T106-A433 WeakPolarHBondContact CG2-O 3.24Å; Y177-A433 VanDerWaalsContact OH-CB 3.28Å; Y177-A433 WeakPolarHBondContact OH-CB 3.19Å; Y430-A433 PolarHBondContact O-N 3.23Å; F431-A433 PolarHBondContact O-N 2.66Å; A433-G435 VanDerWaalsContact C-N 3.34Å; A433-T437 PolarHBondContact O-OG1 2.86Å |
| 434 | D | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -97 | 18.9 | -172.4 | -165.4 | 20.3 | 0 | 0 | 0 | 112.9 | P98 T106 T108 R117 Y125 Y430 G436 Q478 | P98-D434 HydrophobicContact CB-CB 3.73Å; P98-D434 HydrophobicContact CG-CB 3.66Å; T106-D434 HydrophobicContact CG2-CB 4.35Å; T106-D434 PolarHBondContact OG1-OD1 2.92Å; T108-D434 PolarHBondContact OG1-OD2 2.78Å; R117-D434 IonicContact CZ-OD2 3.57Å; R117-D434 IonicContact NE-OD1 2.78Å; R117-D434 IonicContact NE-OD2 3.97Å; R117-D434 PolarHBondContact NE-OD2 2.6Å; R117-D434 IonicContact NH2-OD2 3.82Å; R117-D434 PolarHBondContact NH2-OD2 3.15Å; Y125-D434 PolarHBondContact OH-O 2.96Å; Y430-D434 HydrophobicContact CD2-CB 4.08Å; Y430-D434 WeakPolarHBondContact O-CB 3.4Å; Y430-D434 PolarHBondContact O-N 2.96Å; D434-G436 VanDerWaalsContact C-N 3.26Å; D434-G436 PolarHBondContact O-N 2.82Å; D434-Q478 PolarHBondContact O-NE2 3.02Å |
| 435 | G | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 26.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y125 F431 A433 T437 L475 | Y125-G435 VanDerWaalsContact OH-C 3.24Å; F431-G435 VanDerWaalsContact CZ-CA 3.5Å; F431-G435 WeakPolarHBondContact O-CA 3.42Å; F431-G435 PolarHBondContact O-N 3.36Å; A433-G435 VanDerWaalsContact C-N 3.34Å; G435-T437 PolarHBondContact O-N 3.38Å; G435-L475 VanDerWaalsContact O-CB 3.29Å; G435-L475 WeakPolarHBondContact O-CB 3.39Å; G435-L475 PolarHBondContact O-N 3.13Å |
| 436 | G | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 19.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G123 Y125 D434 Y483 | G123-G436 PolarHBondContact N-O 3.13Å; Y125-G436 WeakPolarHBondContact OH-CA 3.34Å; Y125-G436 PolarHBondContact OH-N 2.8Å; D434-G436 VanDerWaalsContact C-N 3.26Å; D434-G436 PolarHBondContact O-N 2.82Å; G436-Y483 WeakPolarHBondContact O-CE1 3.43Å; G436-Y483 PolarHBondContact O-OH 3.4Å |
| 437 | T | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -60.3 | 137 | -165.6 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | I102 V432 A433 G435 F472 A473 | I102-T437 HydrophobicContact CG2-CG2 3.88Å; V432-T437 WeakPolarHBondContact O-CB 3.4Å; V432-T437 WeakPolarHBondContact O-CG2 3.25Å; V432-T437 PolarHBondContact O-OG1 2.98Å; A433-T437 PolarHBondContact O-OG1 2.86Å; G435-T437 PolarHBondContact O-N 3.38Å; T437-F472 HydrophobicContact CG2-CD2 4.27Å; T437-F472 HydrophobicContact CG2-CE2 3.3Å; T437-F472 HydrophobicContact CG2-CZ 3.55Å; T437-A473 CarbonylContact C-O 3.47Å; T437-A473 WeakPolarHBondContact CA-O 3.27Å | ||
| 438 | V | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.4 | 168.7 | -65.6 | 0 | 0 | 0 | 0 | 108.9 | P122 F364 A473 Y483 W552 | P122-V438 HydrophobicContact CB-CG1 3.69Å; P122-V438 HydrophobicContact CG-CG1 4.43Å; F364-V438 HydrophobicContact CE1-CG1 4.06Å; F364-V438 HydrophobicContact CE1-CG2 4.5Å; F364-V438 HydrophobicContact CZ-CG1 4.25Å; F364-V438 HydrophobicContact CZ-CG2 4.21Å; V438-A473 HydrophobicContact CG2-CB 3.67Å; V438-A473 PolarHBondContact N-O 3Å; V438-A473 PolarHBondContact O-N 3.39Å; V438-Y483 WeakPolarHBondContact CG1-OH 3.5Å; V438-Y483 HydrophobicContact CG2-CE1 3.95Å; V438-W552 HydrophobicContact CG2-CH2 3.98Å; V438-W552 HydrophobicContact CG2-CZ2 4.45Å |
| 439 | W | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 110.3 | 174.6 | -174.4 | 2.5 | 0 | 0 | 0 | 107.2 | I102 Y206 R373 R374 Y469 R471 F472 L503 | I102-W439 HydrophobicContact CB-CE3 4.18Å; I102-W439 HydrophobicContact CB-CZ3 4.43Å; I102-W439 HydrophobicContact CG2-CE3 4.01Å; Y206-W439 AromaticContact CD1-CH2 3.97Å; Y206-W439 HydrophobicContact CD1-CH2 3.97Å; Y206-W439 HydrophobicContact CD1-CZ2 4.28Å; Y206-W439 HydrophobicContact CG-CH2 4.45Å; Y206-W439 VanDerWaalsContact O-CH2 3.23Å; Y206-W439 WeakPolarHBondContact O-CH2 3.46Å; R373-W439 CarbonylContact C-O 3.54Å; R373-W439 WeakPolarHBondContact CA-O 3.41Å; R374-W439 HydrophobicContact CB-CB 4.15Å; R374-W439 HydrophobicContact CB-CD2 3.62Å; R374-W439 HydrophobicContact CB-CE3 4.16Å; R374-W439 HydrophobicContact CB-CG 3.61Å; R374-W439 HydrophobicContact CG-CD2 3.66Å; R374-W439 VanDerWaalsContact CG-CE2 3.44Å; R374-W439 HydrophobicContact CG-CE3 4.07Å; R374-W439 HydrophobicContact CG-CG 4.14Å; R374-W439 HydrophobicContact CG-CH2 4.09Å; R374-W439 HydrophobicContact CG-CZ2 3.67Å; R374-W439 HydrophobicContact CG-CZ3 4.27Å; R374-W439 PolarHBondContact N-O 3.3Å; W439-Y469 PolarHBondContact NE1-O 2.96Å; W439-R471 WeakPolarHBondContact CA-O 3.24Å; W439-F472 HydrophobicContact CB-CD2 4.17Å; W439-F472 HydrophobicContact CG-CD2 4.23Å; W439-L503 HydrophobicContact CD2-CD2 4.14Å; W439-L503 HydrophobicContact CE3-CD1 4.42Å; W439-L503 HydrophobicContact CH2-CD1 4.35Å; W439-L503 HydrophobicContact CH2-CD2 4.16Å; W439-L503 HydrophobicContact CZ2-CD2 3.57Å; W439-L503 HydrophobicContact CZ3-CD1 4.29Å |
| 440 | T | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 149.9 | -169.6 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | I362 H371 Y372 G470 R471 W552 | I362-T440 HydrophobicContact CD1-CG2 4.18Å; H371-T440 HydrophobicContact CB-CG2 3.91Å; Y372-T440 CarbonylContact O-C 3.54Å; Y372-T440 WeakPolarHBondContact O-CA 3.29Å; Y372-T440 WeakPolarHBondContact O-CB 3.18Å; T440-G470 CarbonylContact O-C 3.52Å; T440-G470 WeakPolarHBondContact O-CA 3.43Å; T440-R471 PolarHBondContact N-O 3.29Å; T440-R471 PolarHBondContact O-N 3.46Å; T440-W552 HydrophobicContact CG2-CH2 4.31Å |
| 441 | E | 96.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 30.3 Ų | 30.3 | 20% | 0.201 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 145.3 | 167.8 | -69.4 | -65.6 | 109.6 | 0 | 0 | 110.5 | Y372 R374 R377 | Y372-E441 PolarHBondContact O-N 3.05Å; R374-E441 WeakPolarHBondContact CD-OE1 3.43Å; R374-E441 IonicContact CZ-OE1 3.32Å; R374-E441 IonicContact NE-OE1 3.3Å; R374-E441 IonicContact NH1-OE1 3.34Å; R374-E441 PolarHBondContact NH1-OE1 2.74Å; R377-E441 IonicContact CZ-OE1 3.33Å; R377-E441 IonicContact CZ-OE2 3.12Å; R377-E441 VanDerWaalsContact NE-CD 3.31Å; R377-E441 IonicContact NE-OE1 2.7Å; R377-E441 PolarHBondContact NE-OE1 3.21Å; R377-E441 IonicContact NE-OE2 3.09Å; R377-E441 PolarHBondContact NE-OE2 2.82Å; R377-E441 IonicContact NH2-OE1 2.99Å; R377-E441 PolarHBondContact NH2-OE1 3.31Å; R377-E441 IonicContact NH2-OE2 2.83Å; R377-E441 PolarHBondContact NH2-OE2 3.38Å |
| 442 | L | 93.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -83.8 | 123.5 | 171.7 | -171.5 | 70.3 | 0 | 0 | 0 | 108.5 | A446 I448 Q462 V466 K467 R471 | L442-A446 HydrophobicContact CD1-CB 3.46Å; L442-A446 VanDerWaalsContact CD1-CB 3.46Å; L442-A446 HydrophobicContact CG-CB 3.77Å; L442-I448 HydrophobicContact CD1-CG2 3.97Å; L442-Q462 HydrophobicContact CD2-CB 4Å; L442-Q462 HydrophobicContact CD2-CG 3.93Å; L442-V466 HydrophobicContact CD1-CG1 4.34Å; L442-V466 HydrophobicContact CD2-CG1 4.16Å; L442-K467 HydrophobicContact CD2-CB 4.31Å; L442-R471 HydrophobicContact CD1-CG 3.88Å |
| 443 | S | 87.3 | Confident | 93.1 | Very high | 60 Ų | 60 | 35.5 Ų | 35.5 | 42% | 0.42 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -65.9 | 151.4 | 177.1 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | D445 A446 | S443-D445 WeakPolarHBondContact CB-OD1 3.17Å; S443-D445 PolarHBondContact O-N 3.14Å; S443-D445 PolarHBondContact OG-OD1 2.85Å; S443-A446 VanDerWaalsContact O-CB 3.25Å; S443-A446 WeakPolarHBondContact O-CB 3.43Å; S443-A446 PolarHBondContact O-N 3.32Å; S443-A446 PolarHBondContact OG-N 3.12Å |
| 444 | E | 84.4 | Confident | 92.5 | Very high | 188 Ų | 188 | 38.1 Ų | 38.1 | 88% | 0.879 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.6 | -177.1 | -66.1 | -168.9 | 158.6 | 0 | 0 | 113.7 | Q462 | E444-Q462 PolarHBondContact O-NE2 3.16Š|
| 445 | D | 86.6 | Confident | 92 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1.8 | 178.5 | 66.6 | -35.4 | 0 | 0 | 0 | 113.3 | S443 | S443-D445 WeakPolarHBondContact CB-OD1 3.17Å; S443-D445 PolarHBondContact O-N 3.14Å; S443-D445 PolarHBondContact OG-OD1 2.85Å |
| 446 | A | 89.8 | Confident | 91.5 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | trans | -64.3 | 144.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L442 S443 Q462 | L442-A446 HydrophobicContact CD1-CB 3.46Å; L442-A446 VanDerWaalsContact CD1-CB 3.46Å; L442-A446 HydrophobicContact CG-CB 3.77Å; S443-A446 VanDerWaalsContact O-CB 3.25Å; S443-A446 WeakPolarHBondContact O-CB 3.43Å; S443-A446 PolarHBondContact O-N 3.32Å; S443-A446 PolarHBondContact OG-N 3.12Å; A446-Q462 WeakPolarHBondContact O-CG 3.48Å; A446-Q462 PolarHBondContact O-NE2 3.47Å | ||
| 447 | D | 92.4 | Very high | 90.8 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | trans | -131 | 110 | 170.4 | -172.7 | -12.8 | 0 | 0 | 0 | 109.1 | S449 R453 A461 | D447-S449 VanDerWaalsContact OD1-CB 3.29Å; D447-S449 WeakPolarHBondContact OD1-CB 3.33Å; D447-S449 PolarHBondContact OD1-N 3.08Å; D447-S449 PolarHBondContact OD1-OG 3.33Å; D447-R453 IonicContact OD1-CZ 3.53Å; D447-R453 IonicContact OD1-NH1 2.9Å; D447-R453 PolarHBondContact OD1-NH1 3.43Å; D447-R453 IonicContact OD2-CZ 2.74Å; D447-R453 IonicContact OD2-NH1 3.47Å; D447-R453 PolarHBondContact OD2-NH1 3.47Å; D447-R453 IonicContact OD2-NH2 2.84Å; D447-R453 PolarHBondContact OD2-NH2 2.86Å; D447-A461 WeakPolarHBondContact CA-O 3.11Å | ||
| 448 | I | 93.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | trans | -99.4 | 2.1 | 177.8 | 74.2 | 169.8 | 0 | 0 | 0 | 112.5 | L442 G450 A461 P463 V466 G513 | L442-I448 HydrophobicContact CD1-CG2 3.97Å; I448-G450 PolarHBondContact O-N 3.49Å; I448-A461 PolarHBondContact N-O 3.47Å; I448-P463 HydrophobicContact CD1-CG 3.9Å; I448-P463 HydrophobicContact CG1-CG 4.19Å; I448-V466 HydrophobicContact CD1-CB 3.98Å; I448-V466 HydrophobicContact CD1-CG1 3.96Å; I448-V466 HydrophobicContact CD1-CG2 3.7Å; I448-G513 WeakPolarHBondContact O-CA 3.47Å | ||
| 449 | S | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -71.9 | -12.2 | -176.4 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | D447 G451 V452 R453 L459 V516 | D447-S449 VanDerWaalsContact OD1-CB 3.29Å; D447-S449 WeakPolarHBondContact OD1-CB 3.33Å; D447-S449 PolarHBondContact OD1-N 3.08Å; D447-S449 PolarHBondContact OD1-OG 3.33Å; S449-G451 VanDerWaalsContact C-N 3.25Å; S449-G451 PolarHBondContact O-N 2.83Å; S449-G451 PolarHBondContact OG-N 2.89Å; S449-V452 WeakPolarHBondContact CB-O 3.42Å; S449-R453 PolarHBondContact OG-NH1 2.88Å; S449-L459 WeakPolarHBondContact CB-O 3.31Å; S449-V516 VanDerWaalsContact O-CG2 3.27Å; S449-V516 WeakPolarHBondContact O-CG2 3.2Å |
| 450 | G | 86.8 | Confident | 89.9 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 17.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I448 G513 Q517 | I448-G450 PolarHBondContact O-N 3.49Å; G450-G513 VanDerWaalsContact CA-O 3.26Å; G450-G513 WeakPolarHBondContact CA-O 3.42Å; G450-Q517 WeakPolarHBondContact O-CG 3.45Å |
| 451 | G | 87.8 | Confident | 89.6 | Confident | 64 Ų | 64 | 56 Ų | 56 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | 3.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S449 | S449-G451 VanDerWaalsContact C-N 3.25Å; S449-G451 PolarHBondContact O-N 2.83Å; S449-G451 PolarHBondContact OG-N 2.89Å |
| 452 | V | 89.4 | Confident | 89.4 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | trans | -114.1 | 121 | 171.9 | -172 | 0 | 0 | 0 | 0 | 108.5 | S449 D456 G458 L459 V516 | S449-V452 WeakPolarHBondContact CB-O 3.42Å; V452-D456 HydrophobicContact CG1-CB 3.94Å; V452-G458 WeakPolarHBondContact O-CA 3.49Å; V452-L459 PolarHBondContact O-N 3.13Å; V452-L459 VanDerWaalsContact O-N 3.1Å; V452-V516 HydrophobicContact CB-CB 4.36Å; V452-V516 HydrophobicContact CB-CG2 4.13Å; V452-V516 HydrophobicContact CG2-CB 3.91Å; V452-V516 HydrophobicContact CG2-CG2 3.99Å | ||
| 453 | R | 91 | Very high | 89.4 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | trans | -86.3 | 164.2 | -177.4 | -62.9 | -64.7 | -174.3 | -140.3 | -1.4 | 112.1 | D447 S449 E455 D456 G457 G458 | D447-R453 IonicContact OD1-CZ 3.53Å; D447-R453 IonicContact OD1-NH1 2.9Å; D447-R453 PolarHBondContact OD1-NH1 3.43Å; D447-R453 IonicContact OD2-CZ 2.74Å; D447-R453 IonicContact OD2-NH1 3.47Å; D447-R453 PolarHBondContact OD2-NH1 3.47Å; D447-R453 IonicContact OD2-NH2 2.84Å; D447-R453 PolarHBondContact OD2-NH2 2.86Å; S449-R453 PolarHBondContact OG-NH1 2.88Å; R453-E455 HydrophobicContact CB-CG 4.1Å; R453-E455 WeakPolarHBondContact CB-OE1 3.36Å; R453-E455 VanDerWaalsContact CB-OE2 3.27Å; R453-E455 WeakPolarHBondContact CB-OE2 3.46Å; R453-E455 PolarHBondContact O-N 2.86Å; R453-D456 CarbonylContact O-C 3.48Å; R453-D456 PolarHBondContact O-N 3.38Å; R453-G457 PolarHBondContact O-N 2.63Å; R453-G458 WeakPolarHBondContact O-CA 3.48Å; R453-G458 PolarHBondContact O-N 2.68Å | ||
| 454 | S | 86.8 | Confident | 89.8 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -56 | -37.2 | -179.1 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | D456 G457 G458 P460 | S454-D456 PolarHBondContact O-N 3.05Å; S454-G457 PolarHBondContact O-N 3.18Å; S454-G458 WeakPolarHBondContact CA-O 3.34Å; S454-P460 VanDerWaalsContact OG-CD 3.31Å; S454-P460 WeakPolarHBondContact OG-CD 3.44Å |
| 455 | E | 86.4 | Confident | 90.4 | Very high | 150 Ų | 150 | 48 Ų | 48 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -61.1 | -25.8 | 175.4 | 56.4 | -92.2 | -147.4 | 0 | 0 | 113.8 | R453 | R453-E455 HydrophobicContact CB-CG 4.1Å; R453-E455 WeakPolarHBondContact CB-OE1 3.36Å; R453-E455 VanDerWaalsContact CB-OE2 3.27Å; R453-E455 WeakPolarHBondContact CB-OE2 3.46Å; R453-E455 PolarHBondContact O-N 2.86Å |
| 456 | D | 87.1 | Confident | 90.9 | Very high | 124 Ų | 124 | 41.4 Ų | 41.4 | 66% | 0.663 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -105.2 | 16.8 | -180 | -61 | -46.9 | 0 | 0 | 0 | 112.3 | V452 R453 S454 | V452-D456 HydrophobicContact CG1-CB 3.94Å; R453-D456 CarbonylContact O-C 3.48Å; R453-D456 PolarHBondContact O-N 3.38Å; S454-D456 PolarHBondContact O-N 3.05Å |
| 457 | G | 83.4 | Confident | 91.1 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 32% | 0.32 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 21.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R453 S454 P595 | R453-G457 PolarHBondContact O-N 2.63Å; S454-G457 PolarHBondContact O-N 3.18Å; G457-P595 WeakPolarHBondContact O-CB 3.06Å; G457-P595 WeakPolarHBondContact O-CG 3.04Å |
| 458 | G | 89.9 | Confident | 91.3 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -106 | -147.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V452 R453 S454 | V452-G458 WeakPolarHBondContact O-CA 3.49Å; R453-G458 WeakPolarHBondContact O-CA 3.48Å; R453-G458 PolarHBondContact O-N 2.68Å; S454-G458 WeakPolarHBondContact CA-O 3.34Å |
| 459 | L | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -114.4 | 160.9 | -175.8 | -64.3 | 174.9 | 0 | 0 | 0 | 112.1 | S449 V452 Y509 A512 G513 D592 I596 | S449-L459 WeakPolarHBondContact CB-O 3.31Å; V452-L459 PolarHBondContact O-N 3.13Å; V452-L459 VanDerWaalsContact O-N 3.1Å; L459-Y509 HydrophobicContact CD1-CD1 4.38Å; L459-Y509 HydrophobicContact CD2-CD1 4.22Å; L459-Y509 HydrophobicContact CD2-CE1 4.29Å; L459-A512 HydrophobicContact CD1-CB 3.68Å; L459-G513 VanDerWaalsContact CD1-N 3.33Å; L459-D592 HydrophobicContact CD2-CB 4.03Å; L459-D592 WeakPolarHBondContact CD2-O 3.33Å; L459-I596 HydrophobicContact CD2-CG1 4.33Å | ||
| 460 | P | 91.9 | Very high | 91.8 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | trans | -58 | 147.5 | 163.6 | -20.8 | 32.6 | 0 | 0 | 0 | 111.1 | S454 Q462 P463 | S454-P460 VanDerWaalsContact OG-CD 3.31Å; S454-P460 WeakPolarHBondContact OG-CD 3.44Å; P460-Q462 VanDerWaalsContact C-N 3.27Å; P460-Q462 PolarHBondContact O-N 3.48Å; P460-P463 HydrophobicContact CB-CG 4.31Å; P460-P463 WeakPolarHBondContact O-CD 3.25Å | ||
| 461 | A | 91.5 | Very high | 92.3 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -56 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D447 I448 | D447-A461 WeakPolarHBondContact CA-O 3.11Å; I448-A461 PolarHBondContact N-O 3.47Å |
| 462 | Q | 92.6 | Very high | 92.8 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -135.2 | 86.4 | 179.2 | -62.8 | 177.1 | 16.9 | 0 | 0 | 107.5 | L442 E444 A446 P460 A464 | L442-Q462 HydrophobicContact CD2-CB 4Å; L442-Q462 HydrophobicContact CD2-CG 3.93Å; E444-Q462 PolarHBondContact O-NE2 3.16Å; A446-Q462 WeakPolarHBondContact O-CG 3.48Å; A446-Q462 PolarHBondContact O-NE2 3.47Å; P460-Q462 VanDerWaalsContact C-N 3.27Å; P460-Q462 PolarHBondContact O-N 3.48Å; Q462-A464 PolarHBondContact O-N 2.88Å |
| 463 | P | 94.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | trans | -53.1 | 136.2 | 174.5 | -25.1 | 35.9 | 0 | 0 | 0 | 109.9 | I448 P460 L465 V466 K467 Y509 | I448-P463 HydrophobicContact CD1-CG 3.9Å; I448-P463 HydrophobicContact CG1-CG 4.19Å; P460-P463 HydrophobicContact CB-CG 4.31Å; P460-P463 WeakPolarHBondContact O-CD 3.25Å; P463-L465 PolarHBondContact O-N 3.46Å; P463-L465 VanDerWaalsContact O-N 3.11Å; P463-V466 HydrophobicContact CB-CG2 4.27Å; P463-V466 HydrophobicContact CG-CG2 4.49Å; P463-V466 PolarHBondContact O-N 3.44Å; P463-K467 PolarHBondContact O-N 2.83Å; P463-Y509 HydrophobicContact CB-CD1 3.85Å; P463-Y509 HydrophobicContact CB-CD2 4.36Å; P463-Y509 HydrophobicContact CB-CE1 3.83Å; P463-Y509 HydrophobicContact CB-CE2 4.34Å; P463-Y509 HydrophobicContact CB-CG 4.13Å; P463-Y509 HydrophobicContact CG-CD1 3.59Å; P463-Y509 HydrophobicContact CG-CE1 3.94Å; P463-Y509 HydrophobicContact CG-CG 4.06Å | ||
| 464 | A | 94.8 | Very high | 93.6 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 65% | 0.653 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -53.9 | -38.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q462 K467 E468 | Q462-A464 PolarHBondContact O-N 2.88Å; A464-K467 PolarHBondContact O-N 2.53Å; A464-E468 WeakPolarHBondContact O-CB 3.2Å; A464-E468 PolarHBondContact O-N 3.42Å |
| 465 | L | 96.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 175.8 | -176.5 | 146.3 | 0 | 0 | 0 | 112.3 | P463 K467 E468 Y469 K502 L505 Y509 | P463-L465 PolarHBondContact O-N 3.46Å; P463-L465 VanDerWaalsContact O-N 3.11Å; L465-K467 VanDerWaalsContact C-N 3.34Å; L465-E468 PolarHBondContact O-N 2.75Å; L465-Y469 HydrophobicContact CG-CD2 4.19Å; L465-Y469 WeakPolarHBondContact O-CB 3.38Å; L465-Y469 VanDerWaalsContact O-CD2 3.31Å; L465-Y469 WeakPolarHBondContact O-CD2 3.34Å; L465-Y469 PolarHBondContact O-N 2.94Å; L465-K502 HydrophobicContact CD1-CD 3.92Å; L465-K502 WeakPolarHBondContact CD2-O 3.25Å; L465-L505 HydrophobicContact CD1-CB 3.67Å; L465-L505 HydrophobicContact CD1-CD1 3.58Å; L465-L505 HydrophobicContact CD1-CG 4.28Å; L465-L505 HydrophobicContact CD2-CB 3.88Å; L465-L505 HydrophobicContact CG-CB 4.47Å; L465-Y509 HydrophobicContact CB-CE2 4.34Å; L465-Y509 HydrophobicContact CD2-CD2 4.24Å; L465-Y509 HydrophobicContact CD2-CE2 4.47Å |
| 466 | V | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -34 | -179.8 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | L442 I448 P463 G470 R471 Y509 | L442-V466 HydrophobicContact CD1-CG1 4.34Å; L442-V466 HydrophobicContact CD2-CG1 4.16Å; I448-V466 HydrophobicContact CD1-CB 3.98Å; I448-V466 HydrophobicContact CD1-CG1 3.96Å; I448-V466 HydrophobicContact CD1-CG2 3.7Å; P463-V466 HydrophobicContact CB-CG2 4.27Å; P463-V466 HydrophobicContact CG-CG2 4.49Å; P463-V466 PolarHBondContact O-N 3.44Å; V466-G470 WeakPolarHBondContact O-CA 3.44Å; V466-G470 PolarHBondContact O-N 2.84Å; V466-R471 HydrophobicContact CG1-CG 4Å; V466-Y509 HydrophobicContact CG2-CD2 4.11Å; V466-Y509 HydrophobicContact CG2-CG 4.12Å |
| 467 | K | 95.7 | Very high | 95.2 | Very high | 123 Ų | 123 | 26.7 Ų | 26.7 | 54% | 0.535 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 173.2 | -173.2 | 173.1 | -176.4 | 166.3 | 0 | 112 | R377 L442 P463 A464 L465 | R377-K467 PolarHBondContact NH2-O 2.77Å; R377-K467 VanDerWaalsContact NH2-O 3.1Å; L442-K467 HydrophobicContact CD2-CB 4.31Å; P463-K467 PolarHBondContact O-N 2.83Å; A464-K467 PolarHBondContact O-N 2.53Å; L465-K467 VanDerWaalsContact C-N 3.34Å |
| 468 | E | 96.6 | Very high | 95.6 | Very high | 101 Ų | 101 | 25.6 Ų | 25.6 | 47% | 0.472 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -72.9 | -44.9 | 179.7 | -172.6 | -179.5 | 162.3 | 0 | 0 | 111.7 | R374 R377 A464 L465 | R374-E468 VanDerWaalsContact CZ-O 3.31Å; R374-E468 PolarHBondContact NH1-O 3.24Å; R374-E468 PolarHBondContact NH2-O 3.47Å; R377-E468 PolarHBondContact NH1-O 3.24Å; R377-E468 PolarHBondContact NH2-O 3.14Å; A464-E468 WeakPolarHBondContact O-CB 3.2Å; A464-E468 PolarHBondContact O-N 3.42Å; L465-E468 PolarHBondContact O-N 2.75Å |
| 469 | Y | 97.7 | Very high | 95.7 | Very high | 35 Ų | 35 | 26.8 Ų | 26.8 | 14% | 0.137 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -103.5 | -4.6 | -170.9 | -65 | -82.3 | 0 | 0 | 0 | 114.5 | Y206 W439 L465 K502 | Y206-Y469 AromaticContact CD1-CD1 3.9Å; Y206-Y469 HydrophobicContact CD1-CD1 3.9Å; Y206-Y469 HydrophobicContact CD1-CE1 4.24Å; Y206-Y469 HydrophobicContact CD2-CD1 4.05Å; Y206-Y469 AromaticContact CD2-CE1 3.54Å; Y206-Y469 HydrophobicContact CD2-CE1 3.54Å; Y206-Y469 HydrophobicContact CE1-CD1 4.36Å; Y206-Y469 HydrophobicContact CE2-CD1 4.48Å; Y206-Y469 AromaticContact CE2-CE1 3.94Å; Y206-Y469 HydrophobicContact CE2-CE1 3.94Å; Y206-Y469 AromaticContact CG-CD1 3.73Å; Y206-Y469 HydrophobicContact CG-CD1 3.73Å; Y206-Y469 AromaticContact CG-CE1 3.7Å; Y206-Y469 HydrophobicContact CG-CE1 3.7Å; W439-Y469 PolarHBondContact NE1-O 2.96Å; L465-Y469 HydrophobicContact CG-CD2 4.19Å; L465-Y469 WeakPolarHBondContact O-CB 3.38Å; L465-Y469 VanDerWaalsContact O-CD2 3.31Å; L465-Y469 WeakPolarHBondContact O-CD2 3.34Å; L465-Y469 PolarHBondContact O-N 2.94Å; Y469-K502 HydrophobicContact CD1-CB 3.66Å; Y469-K502 HydrophobicContact CD1-CG 4.1Å; Y469-K502 HydrophobicContact CD2-CB 3.72Å; Y469-K502 HydrophobicContact CD2-CD 4.25Å; Y469-K502 HydrophobicContact CD2-CG 4.03Å; Y469-K502 HydrophobicContact CE1-CB 3.92Å; Y469-K502 HydrophobicContact CE1-CG 3.81Å; Y469-K502 HydrophobicContact CE2-CB 4.01Å; Y469-K502 HydrophobicContact CE2-CD 3.86Å; Y469-K502 HydrophobicContact CE2-CG 3.77Å; Y469-K502 HydrophobicContact CG-CB 3.56Å; Y469-K502 HydrophobicContact CG-CG 4.22Å |
| 470 | G | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | 75.9 | 179 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T440 V466 S506 | T440-G470 CarbonylContact O-C 3.52Å; T440-G470 WeakPolarHBondContact O-CA 3.43Å; V466-G470 WeakPolarHBondContact O-CA 3.44Å; V466-G470 PolarHBondContact O-N 2.84Å; G470-S506 PolarHBondContact O-OG 3.1Å | ||
| 471 | R | 97.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 27.4 Ų | 27.4 | 16% | 0.155 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 144.4 | 177.5 | -54.9 | -176.3 | 78.5 | 179.5 | 16.6 | 110.5 | W439 T440 L442 V466 D510 W552 | W439-R471 WeakPolarHBondContact CA-O 3.24Å; T440-R471 PolarHBondContact N-O 3.29Å; T440-R471 PolarHBondContact O-N 3.46Å; L442-R471 HydrophobicContact CD1-CG 3.88Å; V466-R471 HydrophobicContact CG1-CG 4Å; R471-D510 IonicContact CZ-OD1 3.43Å; R471-D510 VanDerWaalsContact CZ-OD1 3.29Å; R471-D510 IonicContact CZ-OD2 2.77Å; R471-D510 IonicContact NE-OD1 3.66Å; R471-D510 PolarHBondContact NE-OD1 2.9Å; R471-D510 IonicContact NE-OD2 3.77Å; R471-D510 PolarHBondContact NE-OD2 2.67Å; R471-D510 IonicContact NH2-OD1 3.7Å; R471-D510 PolarHBondContact NH2-OD1 3.43Å; R471-D510 IonicContact NH2-OD2 3.26Å; R471-W552 HydrophobicContact CB-CH2 4.23Å; R471-W552 HydrophobicContact CB-CZ2 3.68Å; R471-W552 VanDerWaalsContact NH1-CB 3.28Å; R471-W552 VanDerWaalsContact NH1-CG 3.29Å; R471-W552 VanDerWaalsContact NH2-CB 3.25Å |
| 472 | F | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132 | -173.4 | -174.1 | -101.9 | 0 | 0 | 0 | 111.5 | I102 T437 W439 Y474 N484 L496 L503 V507 | I102-F472 HydrophobicContact CG2-CD2 4.43Å; I102-F472 HydrophobicContact CG2-CE2 3.43Å; I102-F472 VanDerWaalsContact CG2-CE2 3.43Å; I102-F472 HydrophobicContact CG2-CZ 4.07Å; T437-F472 HydrophobicContact CG2-CD2 4.27Å; T437-F472 HydrophobicContact CG2-CE2 3.3Å; T437-F472 HydrophobicContact CG2-CZ 3.55Å; W439-F472 HydrophobicContact CB-CD2 4.17Å; W439-F472 HydrophobicContact CG-CD2 4.23Å; F472-Y474 HydrophobicContact CD1-CD1 4.07Å; F472-Y474 HydrophobicContact CD1-CE1 4.43Å; F472-Y474 AromaticContact CE1-CD1 3.35Å; F472-Y474 HydrophobicContact CE1-CD1 3.35Å; F472-Y474 AromaticContact CE1-CE1 3.77Å; F472-Y474 HydrophobicContact CE1-CE1 3.77Å; F472-Y474 HydrophobicContact CE1-CG 4.24Å; F472-Y474 HydrophobicContact CZ-CD1 4.08Å; F472-N484 PolarHBondContact O-ND2 3.24Å; F472-N484 VanDerWaalsContact O-ND2 3.08Å; F472-L496 HydrophobicContact CD1-CD1 4.3Å; F472-L496 HydrophobicContact CE1-CD1 3.74Å; F472-L496 HydrophobicContact CE1-CD2 4.19Å; F472-L496 HydrophobicContact CZ-CD2 4.4Å; F472-L503 HydrophobicContact CB-CD2 4.32Å; F472-L503 HydrophobicContact CD1-CB 4.39Å; F472-L503 HydrophobicContact CD2-CD1 3.95Å; F472-L503 HydrophobicContact CD2-CD2 4.23Å; F472-L503 HydrophobicContact CD2-CG 4.46Å; F472-L503 HydrophobicContact CE2-CD1 3.98Å; F472-L503 HydrophobicContact CG-CB 4.21Å; F472-L503 HydrophobicContact CG-CD1 4.46Å; F472-L503 HydrophobicContact CG-CD2 4.4Å; F472-L503 HydrophobicContact CZ-CD1 4.49Å; F472-V507 HydrophobicContact CB-CG2 4.15Å; F472-V507 HydrophobicContact CD1-CG2 3.69Å; F472-V507 HydrophobicContact CG-CG2 4.41Å |
| 473 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | T437 V438 Y483 N484 I544 W552 | T437-A473 CarbonylContact C-O 3.47Å; T437-A473 WeakPolarHBondContact CA-O 3.27Å; V438-A473 HydrophobicContact CG2-CB 3.67Å; V438-A473 PolarHBondContact N-O 3Å; V438-A473 PolarHBondContact O-N 3.39Å; A473-Y483 HydrophobicContact CB-CD1 3.6Å; A473-Y483 HydrophobicContact CB-CE1 4.22Å; A473-Y483 HydrophobicContact CB-CG 4.01Å; A473-N484 VanDerWaalsContact CA-OD1 3.29Å; A473-N484 WeakPolarHBondContact CA-OD1 3.44Å; A473-I544 HydrophobicContact CB-CD1 3.66Å; A473-W552 HydrophobicContact CB-CZ2 3.92Å |
| 474 | Y | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -144.2 | 151.1 | 173.6 | 63.4 | -68.5 | 0 | 0 | 0 | 109.5 | F431 F472 N484 H489 L496 M827 L830 | F431-Y474 HydrophobicContact CD1-CD2 4.2Å; F431-Y474 AromaticContact CE1-CD2 3.95Å; F431-Y474 HydrophobicContact CE1-CD2 3.95Å; F431-Y474 HydrophobicContact CE1-CE2 4.46Å; F472-Y474 HydrophobicContact CD1-CD1 4.07Å; F472-Y474 HydrophobicContact CD1-CE1 4.43Å; F472-Y474 AromaticContact CE1-CD1 3.35Å; F472-Y474 HydrophobicContact CE1-CD1 3.35Å; F472-Y474 AromaticContact CE1-CE1 3.77Å; F472-Y474 HydrophobicContact CE1-CE1 3.77Å; F472-Y474 HydrophobicContact CE1-CG 4.24Å; F472-Y474 HydrophobicContact CZ-CD1 4.08Å; Y474-N484 WeakPolarHBondContact CD1-OD1 3.37Å; Y474-N484 PolarHBondContact N-OD1 2.83Å; Y474-N484 PolarHBondContact O-N 3.39Å; Y474-N484 PolarHBondContact O-OD1 3.38Å; Y474-H489 AromaticContact CE1-CE1 3.98Å; Y474-H489 AromaticContact CE1-ND1 3.78Å; Y474-H489 AromaticContact CZ-ND1 3.6Å; Y474-H489 PolarHBondContact OH-CE1 3.13Å; Y474-H489 VanDerWaalsContact OH-CE1 3.28Å; Y474-H489 PolarHBondContact OH-ND1 3.31Å; Y474-L496 HydrophobicContact CD1-CD1 4.49Å; Y474-L496 HydrophobicContact CE1-CD1 3.6Å; Y474-M827 HydrophobicContact CD1-CE 4.5Å; Y474-M827 HydrophobicContact CD2-CB 4.38Å; Y474-M827 HydrophobicContact CD2-CE 3.53Å; Y474-M827 HydrophobicContact CE1-CE 4.09Å; Y474-M827 HydrophobicContact CE2-CB 3.96Å; Y474-M827 HydrophobicContact CE2-CE 3.06Å; Y474-M827 HydrophobicContact CG-CE 4.25Å; Y474-L830 HydrophobicContact CE2-CD1 4.16Å | ||
| 475 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -72.5 | 155.1 | -173.1 | -61 | 175 | 0 | 0 | 0 | 111.3 | Y125 F431 G435 G477 M482 Y483 P547 | Y125-L475 HydrophobicContact CE2-CD1 3.92Å; F431-L475 VanDerWaalsContact CE1-O 3.26Å; F431-L475 WeakPolarHBondContact CE1-O 3.34Å; F431-L475 WeakPolarHBondContact CZ-O 3.18Å; G435-L475 VanDerWaalsContact O-CB 3.29Å; G435-L475 WeakPolarHBondContact O-CB 3.39Å; G435-L475 PolarHBondContact O-N 3.13Å; L475-G477 VanDerWaalsContact C-N 3.32Å; L475-M482 CarbonylContact C-O 3.57Å; L475-M482 VanDerWaalsContact CA-O 3.27Å; L475-M482 WeakPolarHBondContact CA-O 3.38Å; L475-Y483 HydrophobicContact CD2-CD1 3.71Å; L475-Y483 HydrophobicContact CD2-CD2 4.04Å; L475-Y483 HydrophobicContact CD2-CE1 3.67Å; L475-Y483 HydrophobicContact CD2-CE2 4.01Å; L475-Y483 HydrophobicContact CD2-CG 3.91Å; L475-Y483 HydrophobicContact CG-CD1 4.26Å; L475-Y483 HydrophobicContact CG-CE1 4.01Å; L475-P547 HydrophobicContact CD2-CG 4.27Å |
| 476 | E | 98.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 19 Ų | 19 | 6% | 0.056 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -58.5 | -45.3 | 166.2 | -165.4 | -174.5 | 139.3 | 0 | 0 | 111.8 | Y480 M482 T485 V488 Y826 M827 | E476-Y480 VanDerWaalsContact OE1-CD2 3.24Å; E476-Y480 WeakPolarHBondContact OE1-CD2 3.36Å; E476-M482 PolarHBondContact N-O 2.89Å; E476-M482 WeakPolarHBondContact OE2-CE 3.27Å; E476-T485 WeakPolarHBondContact CB-OG1 3.35Å; E476-T485 HydrophobicContact CG-CG2 4.18Å; E476-T485 WeakPolarHBondContact OE2-CB 3.28Å; E476-T485 VanDerWaalsContact OE2-CG2 3.24Å; E476-T485 WeakPolarHBondContact OE2-CG2 3.34Å; E476-T485 PolarHBondContact OE2-OG1 3.43Å; E476-V488 HydrophobicContact CG-CB 4.37Å; E476-V488 HydrophobicContact CG-CG1 4.47Å; E476-V488 HydrophobicContact CG-CG2 4Å; E476-Y826 HydrophobicContact CG-CE1 4.36Å; E476-Y826 HydrophobicContact CG-CE2 3.7Å; E476-Y826 WeakPolarHBondContact CG-OH 3.1Å; E476-Y826 CarbonylContact O-C 3.58Å; E476-Y826 WeakPolarHBondContact O-CA 3.5Å; E476-Y826 WeakPolarHBondContact O-CD2 3.25Å; E476-Y826 PolarHBondContact OE1-OH 3.23Å; E476-M827 HydrophobicContact CB-SD 4.38Å; E476-M827 HydrophobicContact CG-SD 4.31Å; E476-M827 PolarHBondContact O-N 2.84Å |
| 477 | G | 96 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | B | Isolated β-bridge | trans | -167.8 | -179.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | L475 E479 Y480 A825 | L475-G477 VanDerWaalsContact C-N 3.32Å; G477-E479 VanDerWaalsContact C-N 3.32Å; G477-Y480 PolarHBondContact N-O 3.47Å; G477-Y480 VanDerWaalsContact N-O 3.12Å; G477-Y480 CarbonylContact O-C 3.59Å; G477-A825 CarbonylContact C-O 3.41Å; G477-A825 WeakPolarHBondContact CA-O 3.48Å |
| 478 | Q | 92.8 | Very high | 97 | Very high | 8 Ų | 8 | 13.4 Ų | 13.4 | 4% | 0.037 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -74.5 | -23.2 | 178.8 | -75.4 | -176.2 | 10.5 | 0 | 0 | 113.4 | L89 Y125 Y127 D434 L824 A825 | L89-Q478 HydrophobicContact CD1-CB 4.13Å; Y125-Q478 HydrophobicContact CD1-CG 4.42Å; Y125-Q478 HydrophobicContact CD2-CG 4.3Å; Y125-Q478 HydrophobicContact CE1-CG 3.9Å; Y125-Q478 HydrophobicContact CE2-CG 3.78Å; Y125-Q478 PolarHBondContact OH-NE2 3.29Å; Y127-Q478 WeakPolarHBondContact OH-CB 3.45Å; D434-Q478 PolarHBondContact O-NE2 3.02Å; Q478-L824 PolarHBondContact N-O 2.66Å; Q478-A825 HydrophobicContact CB-CB 4.03Å; Q478-A825 HydrophobicContact CG-CB 3.61Å; Q478-A825 PolarHBondContact N-O 3Å |
| 479 | E | 91 | Very high | 97.1 | Very high | 26 Ų | 26 | 8.6 Ų | 8.6 | 12% | 0.121 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -94.2 | -25.8 | 173.2 | -63.8 | -171.1 | 93.8 | 0 | 0 | 112.6 | A88 L89 G477 S823 L824 | A88-E479 WeakPolarHBondContact CA-OE1 3.32Å; L89-E479 HydrophobicContact CB-CG 3.88Å; L89-E479 HydrophobicContact CD1-CG 3.63Å; L89-E479 HydrophobicContact CG-CG 3.82Å; L89-E479 PolarHBondContact N-OE1 3.3Å; G477-E479 VanDerWaalsContact C-N 3.32Å; E479-S823 WeakPolarHBondContact OE2-CA 3.44Å; E479-S823 PolarHBondContact OE2-N 2.95Å; E479-L824 PolarHBondContact OE2-N 3.11Å |
| 480 | Y | 93.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 7 Ų | 7 | 12% | 0.122 | 3% | 0.029 | C | C | . | . | B | Isolated β-bridge | trans | -112.3 | 89.4 | -175.8 | -63.3 | -1.9 | 0 | 0 | 0 | 108.4 | F82 I83 E476 G477 M482 R822 S823 Y826 | F82-Y480 CarbonylContact O-C 3.5Å; F82-Y480 WeakPolarHBondContact O-CA 3.36Å; I83-Y480 HydrophobicContact CB-CD1 4.34Å; I83-Y480 HydrophobicContact CD1-CD1 4.21Å; I83-Y480 HydrophobicContact CD1-CE1 4.48Å; I83-Y480 HydrophobicContact CD1-CG 4.36Å; I83-Y480 HydrophobicContact CG1-CD1 3.68Å; I83-Y480 HydrophobicContact CG1-CE1 4.24Å; I83-Y480 HydrophobicContact CG1-CG 4.06Å; I83-Y480 HydrophobicContact CG2-CD1 4.03Å; I83-Y480 HydrophobicContact CG2-CE1 3.88Å; E476-Y480 VanDerWaalsContact OE1-CD2 3.24Å; E476-Y480 WeakPolarHBondContact OE1-CD2 3.36Å; G477-Y480 PolarHBondContact N-O 3.47Å; G477-Y480 VanDerWaalsContact N-O 3.12Å; G477-Y480 CarbonylContact O-C 3.59Å; Y480-M482 VanDerWaalsContact C-N 3.27Å; Y480-M482 HydrophobicContact CG-CE 4.41Å; Y480-M482 PolarHBondContact O-N 2.99Å; Y480-R822 VanDerWaalsContact OH-CD 3.28Å; Y480-R822 WeakPolarHBondContact OH-CD 3.4Å; Y480-R822 WeakPolarHBondContact OH-CG 3.41Å; Y480-R822 PolarHBondContact OH-NH1 2.83Å; Y480-S823 VanDerWaalsContact CD2-OG 3.24Å; Y480-S823 WeakPolarHBondContact CD2-OG 3.21Å; Y480-S823 VanDerWaalsContact CE2-CB 3.48Å; Y480-S823 WeakPolarHBondContact CE2-OG 3.4Å; Y480-S823 VanDerWaalsContact CG-OG 3.29Å; Y480-S823 VanDerWaalsContact CZ-CB 3.5Å; Y480-Y826 AromaticContact CD2-CE2 3.43Å; Y480-Y826 HydrophobicContact CD2-CE2 3.43Å; Y480-Y826 VanDerWaalsContact CD2-CE2 3.43Å; Y480-Y826 AromaticContact CD2-CZ 3.98Å; Y480-Y826 AromaticContact CE2-CE2 4Å; Y480-Y826 HydrophobicContact CE2-CE2 4Å; Y480-Y826 HydrophobicContact CG-CE2 4.16Å |
| 481 | R | 94.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 7 Ų | 7 | 8% | 0.083 | 3% | 0.029 | C | C | . | . | trans | -87.4 | 61.9 | -167.1 | -57.4 | -175.3 | -55.2 | 122.5 | 22.7 | 111.6 | A80 P81 F82 M124 D546 P547 D548 | A80-R481 PolarHBondContact O-NH2 3.46Å; P81-R481 PolarHBondContact O-NE 3.24Å; P81-R481 PolarHBondContact O-NH2 3.46Å; F82-R481 PolarHBondContact O-N 2.99Å; M124-R481 PolarHBondContact SD-NH1 3.24Å; R481-D546 IonicContact CZ-OD1 2.73Å; R481-D546 IonicContact NH1-OD1 3.68Å; R481-D546 IonicContact NH2-OD1 3.35Å; R481-D546 PolarHBondContact NH2-OD1 3.39Å; R481-D546 IonicContact NH2-OD2 3.47Å; R481-D546 PolarHBondContact NH2-OD2 3.42Å; R481-P547 HydrophobicContact CB-CG 4.1Å; R481-P547 WeakPolarHBondContact O-CD 3.5Å; R481-D548 IonicContact CZ-OD2 3.68Å; R481-D548 IonicContact NH1-OD2 3.35Å; R481-D548 PolarHBondContact NH1-OD2 3.44Å; R481-D548 IonicContact NH2-OD2 2.79Å | ||
| 482 | M | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.022 | C | C | . | . | trans | -122.2 | 131 | 176.1 | -68.5 | 154.7 | -70.7 | 0 | 0 | 108.5 | F82 I83 L475 E476 Y480 T485 D543 A557 Y558 | F82-M482 HydrophobicContact CB-CG 4.24Å; F82-M482 HydrophobicContact CD2-CE 4.07Å; F82-M482 HydrophobicContact CD2-CG 4.32Å; F82-M482 HydrophobicContact CD2-SD 3.64Å; F82-M482 HydrophobicContact CE2-SD 4.31Å; I83-M482 HydrophobicContact CD1-CE 3.98Å; I83-M482 HydrophobicContact CG1-CE 3.9Å; L475-M482 CarbonylContact C-O 3.57Å; L475-M482 VanDerWaalsContact CA-O 3.27Å; L475-M482 WeakPolarHBondContact CA-O 3.38Å; E476-M482 PolarHBondContact N-O 2.89Å; E476-M482 WeakPolarHBondContact OE2-CE 3.27Å; Y480-M482 VanDerWaalsContact C-N 3.27Å; Y480-M482 HydrophobicContact CG-CE 4.41Å; Y480-M482 PolarHBondContact O-N 2.99Å; M482-T485 VanDerWaalsContact CB-OG1 3.28Å; M482-T485 WeakPolarHBondContact CB-OG1 3.48Å; M482-D543 HydrophobicContact CB-CB 3.81Å; M482-D543 HydrophobicContact CG-CB 4.45Å; M482-A557 HydrophobicContact CG-CB 4.14Å; M482-Y558 HydrophobicContact SD-CD2 3.97Å; M482-Y558 HydrophobicContact SD-CG 4.38Å | ||
| 483 | Y | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.022 | C | C | . | . | B | Isolated β-bridge | trans | -81.9 | 136.8 | -179.9 | -82.1 | -67.2 | 0 | 0 | 0 | 111.7 | G123 F364 G436 V438 A473 L475 T485 D543 I544 G545 P547 P551 | G123-Y483 WeakPolarHBondContact CA-OH 3.44Å; G123-Y483 PolarHBondContact N-OH 3.37Å; F364-Y483 HydrophobicContact CE1-CE2 4.07Å; G436-Y483 WeakPolarHBondContact O-CE1 3.43Å; G436-Y483 PolarHBondContact O-OH 3.4Å; V438-Y483 WeakPolarHBondContact CG1-OH 3.5Å; V438-Y483 HydrophobicContact CG2-CE1 3.95Å; A473-Y483 HydrophobicContact CB-CD1 3.6Å; A473-Y483 HydrophobicContact CB-CE1 4.22Å; A473-Y483 HydrophobicContact CB-CG 4.01Å; L475-Y483 HydrophobicContact CD2-CD1 3.71Å; L475-Y483 HydrophobicContact CD2-CD2 4.04Å; L475-Y483 HydrophobicContact CD2-CE1 3.67Å; L475-Y483 HydrophobicContact CD2-CE2 4.01Å; L475-Y483 HydrophobicContact CD2-CG 3.91Å; L475-Y483 HydrophobicContact CG-CD1 4.26Å; L475-Y483 HydrophobicContact CG-CE1 4.01Å; Y483-T485 PolarHBondContact O-N 2.77Å; Y483-D543 WeakPolarHBondContact O-CB 3.46Å; Y483-I544 VanDerWaalsContact O-CG1 3.26Å; Y483-I544 WeakPolarHBondContact O-CG1 3.39Å; Y483-I544 PolarHBondContact O-N 3.37Å; Y483-G545 PolarHBondContact N-O 3.13Å; Y483-P547 HydrophobicContact CE2-CB 3.82Å; Y483-P547 HydrophobicContact CE2-CG 4.35Å; Y483-P551 HydrophobicContact CD2-CB 3.9Å; Y483-P551 HydrophobicContact CD2-CG 3.56Å; Y483-P551 HydrophobicContact CE2-CB 4.33Å; Y483-P551 HydrophobicContact CE2-CG 3.63Å |
| 484 | N | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.022 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 45.9 | 178.3 | -59.1 | -14.8 | 0 | 0 | 0 | 112.4 | F472 A473 Y474 Y486 I544 | F472-N484 PolarHBondContact O-ND2 3.24Å; F472-N484 VanDerWaalsContact O-ND2 3.08Å; A473-N484 VanDerWaalsContact CA-OD1 3.29Å; A473-N484 WeakPolarHBondContact CA-OD1 3.44Å; Y474-N484 WeakPolarHBondContact CD1-OD1 3.37Å; Y474-N484 PolarHBondContact N-OD1 2.83Å; Y474-N484 PolarHBondContact O-N 3.39Å; Y474-N484 PolarHBondContact O-OD1 3.38Å; N484-Y486 WeakPolarHBondContact O-CA 3.13Å; N484-Y486 PolarHBondContact O-N 2.69Å; N484-I544 HydrophobicContact CB-CD1 4.29Å; N484-I544 HydrophobicContact CB-CG1 4.09Å; N484-I544 WeakPolarHBondContact ND2-CD1 3.44Å |
| 485 | T | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.022 | C | C | . | . | trans | -53.9 | 111.4 | 173.9 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | E476 M482 Y483 D487 V488 H489 H542 | E476-T485 WeakPolarHBondContact CB-OG1 3.35Å; E476-T485 HydrophobicContact CG-CG2 4.18Å; E476-T485 WeakPolarHBondContact OE2-CB 3.28Å; E476-T485 VanDerWaalsContact OE2-CG2 3.24Å; E476-T485 WeakPolarHBondContact OE2-CG2 3.34Å; E476-T485 PolarHBondContact OE2-OG1 3.43Å; M482-T485 VanDerWaalsContact CB-OG1 3.28Å; M482-T485 WeakPolarHBondContact CB-OG1 3.48Å; Y483-T485 PolarHBondContact O-N 2.77Å; T485-D487 WeakPolarHBondContact CG2-OD1 3.32Å; T485-V488 HydrophobicContact CG2-CB 4.39Å; T485-V488 HydrophobicContact CG2-CG2 3.77Å; T485-V488 PolarHBondContact O-N 3Å; T485-H489 WeakPolarHBondContact O-CB 3.23Å; T485-H489 PolarHBondContact O-N 2.96Å; T485-H542 CarbonylContact C-O 3.56Å; T485-H542 VanDerWaalsContact CA-O 3.25Å; T485-H542 WeakPolarHBondContact CA-O 3.48Å; T485-H542 WeakPolarHBondContact CG2-CE1 3.47Å; T485-H542 WeakPolarHBondContact CG2-NE2 3.17Å | ||
| 486 | Y | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -80.8 | -33.7 | -151.7 | -164.1 | -101.3 | 0 | 0 | 0 | 112.3 | N484 V488 H489 F490 Q508 I511 V540 H542 L569 F573 Q576 | N484-Y486 WeakPolarHBondContact O-CA 3.13Å; N484-Y486 PolarHBondContact O-N 2.69Å; Y486-V488 PolarHBondContact O-N 3.48Å; Y486-H489 PolarHBondContact O-N 2.94Å; Y486-F490 PolarHBondContact O-N 2.94Å; Y486-F490 VanDerWaalsContact O-N 3.14Å; Y486-Q508 PolarHBondContact OH-NE2 3.08Å; Y486-Q508 PolarHBondContact OH-OE1 3.1Å; Y486-I511 HydrophobicContact CD2-CB 4.44Å; Y486-I511 HydrophobicContact CD2-CD1 3.74Å; Y486-I511 HydrophobicContact CD2-CG1 3.71Å; Y486-I511 HydrophobicContact CD2-CG2 4.07Å; Y486-I511 HydrophobicContact CE1-CG2 4.5Å; Y486-I511 HydrophobicContact CE2-CB 4.08Å; Y486-I511 HydrophobicContact CE2-CD1 4.22Å; Y486-I511 HydrophobicContact CE2-CG1 3.67Å; Y486-I511 HydrophobicContact CE2-CG2 3.79Å; Y486-I511 HydrophobicContact CG-CD1 4.45Å; Y486-V540 HydrophobicContact CD1-CG1 3.43Å; Y486-V540 VanDerWaalsContact CD1-CG1 3.43Å; Y486-V540 HydrophobicContact CE1-CG1 3.86Å; Y486-V540 HydrophobicContact CG-CG1 3.9Å; Y486-H542 PolarHBondContact N-O 2.74Å; Y486-L569 HydrophobicContact CD1-CD2 4.49Å; Y486-F573 HydrophobicContact CE1-CB 3.69Å; Y486-F573 HydrophobicContact CE1-CD2 4.23Å; Y486-F573 HydrophobicContact CE1-CG 4.49Å; Y486-F573 AromaticContact CZ-CD2 3.89Å; Y486-F573 WeakPolarHBondContact OH-CA 3.31Å; Y486-F573 VanDerWaalsContact OH-CD2 3.29Å; Y486-F573 WeakPolarHBondContact OH-CD2 3.32Å; Y486-Q576 PolarHBondContact OH-NE2 3.45Å |
| 487 | D | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 4.8 Ų | 4.8 | 2% | 0.021 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -65.8 | -26.7 | 172.9 | 62.9 | -69.9 | 0 | 0 | 0 | 112.4 | T485 H542 L569 K572 T624 | T485-D487 WeakPolarHBondContact CG2-OD1 3.32Å; D487-H542 IonicContact OD1-CD2 2.73Å; D487-H542 PolarHBondContact OD1-CD2 3.24Å; D487-H542 IonicContact OD1-NE2 3.75Å; D487-H542 PolarHBondContact OD1-NE2 3.34Å; D487-L569 HydrophobicContact CB-CD2 3.74Å; D487-K572 HydrophobicContact CB-CD 4.15Å; D487-K572 PolarHBondContact O-NZ 3.1Å; D487-T624 WeakPolarHBondContact OD2-CB 3.46Å; D487-T624 PolarHBondContact OD2-OG1 3.37Å |
| 488 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.006 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -86.9 | -38.8 | 174.2 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | E476 T485 Y486 F490 Y491 A492 Y826 M827 R828 | E476-V488 HydrophobicContact CG-CB 4.37Å; E476-V488 HydrophobicContact CG-CG1 4.47Å; E476-V488 HydrophobicContact CG-CG2 4Å; T485-V488 HydrophobicContact CG2-CB 4.39Å; T485-V488 HydrophobicContact CG2-CG2 3.77Å; T485-V488 PolarHBondContact O-N 3Å; Y486-V488 PolarHBondContact O-N 3.48Å; V488-F490 PolarHBondContact O-N 3.43Å; V488-F490 VanDerWaalsContact O-N 3.17Å; V488-Y491 PolarHBondContact O-N 3.44Å; V488-A492 PolarHBondContact O-N 3.37Å; V488-Y826 HydrophobicContact CG1-CD1 4.38Å; V488-Y826 HydrophobicContact CG1-CE1 3.67Å; V488-M827 HydrophobicContact CB-CG 4.06Å; V488-M827 HydrophobicContact CB-SD 3.67Å; V488-M827 HydrophobicContact CG1-CG 3.3Å; V488-M827 HydrophobicContact CG1-SD 3.64Å; V488-R828 HydrophobicContact CG1-CB 3.69Å; V488-R828 HydrophobicContact CG1-CG 3.87Å |
| 489 | H | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -54.1 | -33.4 | 174.2 | -175.6 | 72 | 0 | 0 | 0 | 112 | Y474 T485 Y486 Y491 A492 S493 Q576 | Y474-H489 AromaticContact CE1-CE1 3.98Å; Y474-H489 AromaticContact CE1-ND1 3.78Å; Y474-H489 AromaticContact CZ-ND1 3.6Å; Y474-H489 PolarHBondContact OH-CE1 3.13Å; Y474-H489 VanDerWaalsContact OH-CE1 3.28Å; Y474-H489 PolarHBondContact OH-ND1 3.31Å; T485-H489 WeakPolarHBondContact O-CB 3.23Å; T485-H489 PolarHBondContact O-N 2.96Å; Y486-H489 PolarHBondContact O-N 2.94Å; H489-Y491 PolarHBondContact O-N 3.26Å; H489-Y491 VanDerWaalsContact O-N 3.12Å; H489-A492 PolarHBondContact O-N 2.79Å; H489-S493 WeakPolarHBondContact NE2-CB 3.39Å; H489-S493 WeakPolarHBondContact O-CA 3.25Å; H489-S493 WeakPolarHBondContact O-CB 3.46Å; H489-S493 PolarHBondContact O-N 2.93Å; H489-S493 PolarHBondContact O-OG 3.32Å; H489-S493 VanDerWaalsContact O-OG 3.05Å; H489-Q576 PolarHBondContact CD2-OE1 2.7Å; H489-Q576 VanDerWaalsContact CD2-OE1 3.27Å |
| 490 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -45.3 | -42.3 | 171.6 | 175.9 | -102 | 0 | 0 | 0 | 114.2 | Y486 V488 S493 K572 L575 Q576 W707 F708 | Y486-F490 PolarHBondContact O-N 2.94Å; Y486-F490 VanDerWaalsContact O-N 3.14Å; V488-F490 PolarHBondContact O-N 3.43Å; V488-F490 VanDerWaalsContact O-N 3.17Å; F490-S493 PolarHBondContact O-OG 2.93Å; F490-K572 HydrophobicContact CB-CB 4.3Å; F490-K572 HydrophobicContact CB-CD 3.78Å; F490-K572 HydrophobicContact CB-CG 4.07Å; F490-K572 HydrophobicContact CD1-CD 4.4Å; F490-K572 HydrophobicContact CD1-CG 4.41Å; F490-K572 HydrophobicContact CD2-CB 3.75Å; F490-K572 HydrophobicContact CD2-CD 4.17Å; F490-K572 HydrophobicContact CD2-CG 3.52Å; F490-K572 HydrophobicContact CE2-CB 4.38Å; F490-K572 HydrophobicContact CE2-CG 3.94Å; F490-K572 HydrophobicContact CG-CB 4.25Å; F490-K572 HydrophobicContact CG-CD 3.88Å; F490-K572 HydrophobicContact CG-CG 3.75Å; F490-L575 HydrophobicContact CE2-CB 4.34Å; F490-L575 HydrophobicContact CE2-CD1 4.12Å; F490-Q576 HydrophobicContact CD2-CG 4.11Å; F490-W707 HydrophobicContact CD1-CZ3 4.23Å; F490-W707 HydrophobicContact CE1-CE3 4.12Å; F490-W707 AromaticContact CE1-CZ3 3.6Å; F490-W707 HydrophobicContact CE1-CZ3 3.6Å; F490-W707 HydrophobicContact CZ-CZ3 4.31Å; F490-F708 AromaticContact CD2-CD2 3.99Å; F490-F708 HydrophobicContact CD2-CD2 3.99Å; F490-F708 AromaticContact CD2-CE2 3.58Å; F490-F708 HydrophobicContact CD2-CE2 3.58Å; F490-F708 HydrophobicContact CD2-CZ 4.05Å; F490-F708 AromaticContact CE1-CD2 3.97Å; F490-F708 HydrophobicContact CE1-CD2 3.97Å; F490-F708 HydrophobicContact CE1-CE2 4.27Å; F490-F708 HydrophobicContact CE2-CB 4.38Å; F490-F708 HydrophobicContact CE2-CD1 4.27Å; F490-F708 AromaticContact CE2-CD2 3.13Å; F490-F708 HydrophobicContact CE2-CD2 3.13Å; F490-F708 HydrophobicContact CE2-CE1 4.32Å; F490-F708 AromaticContact CE2-CE2 3.2Å; F490-F708 HydrophobicContact CE2-CE2 3.2Å; F490-F708 AromaticContact CE2-CG 3.67Å; F490-F708 HydrophobicContact CE2-CG 3.67Å; F490-F708 AromaticContact CE2-CZ 3.82Å; F490-F708 HydrophobicContact CE2-CZ 3.82Å; F490-F708 HydrophobicContact CG-CE2 4.28Å; F490-F708 HydrophobicContact CZ-CB 4.12Å; F490-F708 AromaticContact CZ-CD2 3.12Å; F490-F708 HydrophobicContact CZ-CD2 3.12Å; F490-F708 AromaticContact CZ-CE2 3.6Å; F490-F708 HydrophobicContact CZ-CE2 3.6Å; F490-F708 AromaticContact CZ-CG 3.78Å; F490-F708 HydrophobicContact CZ-CG 3.78Å |
| 491 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -84.1 | -38.6 | 178.3 | -58.5 | -97.2 | 0 | 0 | 0 | 111.5 | V488 H489 F494 Y636 D701 W707 V773 R828 S831 | V488-Y491 PolarHBondContact O-N 3.44Å; H489-Y491 PolarHBondContact O-N 3.26Å; H489-Y491 VanDerWaalsContact O-N 3.12Å; Y491-F494 WeakPolarHBondContact O-CD2 3.4Å; Y491-Y636 PolarHBondContact OH-OH 2.9Å; Y491-D701 PolarHBondContact OH-OD2 2.78Å; Y491-W707 AromaticContact CD1-CH2 3.87Å; Y491-W707 HydrophobicContact CD1-CH2 3.87Å; Y491-W707 AromaticContact CD1-CZ3 3.71Å; Y491-W707 HydrophobicContact CD1-CZ3 3.71Å; Y491-W707 HydrophobicContact CE1-CH2 4.48Å; Y491-W707 AromaticContact CE1-CZ3 3.87Å; Y491-W707 HydrophobicContact CE1-CZ3 3.87Å; Y491-V773 HydrophobicContact CE1-CG2 4.06Å; Y491-R828 VanDerWaalsContact CB-CG 3.49Å; Y491-R828 HydrophobicContact CD1-CG 4.45Å; Y491-R828 HydrophobicContact CD2-CG 3.87Å; Y491-R828 HydrophobicContact CG-CG 3.7Å; Y491-S831 VanDerWaalsContact O-CA 3.25Å; Y491-S831 WeakPolarHBondContact O-CA 3.2Å; Y491-S831 VanDerWaalsContact O-CB 3.23Å; Y491-S831 WeakPolarHBondContact O-CB 3.46Å |
| 492 | A | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -75.4 | -25.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V488 H489 F494 A495 M827 L830 | V488-A492 PolarHBondContact O-N 3.37Å; H489-A492 PolarHBondContact O-N 2.79Å; A492-F494 PolarHBondContact O-N 3.33Å; A492-F494 VanDerWaalsContact O-N 3.11Å; A492-A495 PolarHBondContact O-N 3.13Å; A492-M827 HydrophobicContact CB-CB 4.26Å; A492-M827 HydrophobicContact CB-CG 4.08Å; A492-M827 VanDerWaalsContact CB-O 3.25Å; A492-M827 WeakPolarHBondContact CB-O 3.49Å; A492-L830 HydrophobicContact CB-CB 4Å; A492-L830 HydrophobicContact CB-CD1 4.16Å |
| 493 | S | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -68.1 | -15.3 | -166.3 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | H489 F490 A495 L496 I497 Q576 R579 | H489-S493 WeakPolarHBondContact NE2-CB 3.39Å; H489-S493 WeakPolarHBondContact O-CA 3.25Å; H489-S493 WeakPolarHBondContact O-CB 3.46Å; H489-S493 PolarHBondContact O-N 2.93Å; H489-S493 PolarHBondContact O-OG 3.32Å; H489-S493 VanDerWaalsContact O-OG 3.05Å; F490-S493 PolarHBondContact O-OG 2.93Å; S493-A495 VanDerWaalsContact C-N 3.31Å; S493-A495 PolarHBondContact O-N 3.43Å; S493-L496 PolarHBondContact O-N 2.91Å; S493-I497 WeakPolarHBondContact O-CG2 3.25Å; S493-I497 PolarHBondContact O-N 3.01Å; S493-Q576 PolarHBondContact OG-OE1 2.82Å; S493-R579 VanDerWaalsContact OG-CZ 3.3Å; S493-R579 PolarHBondContact OG-NH1 2.81Å; S493-R579 PolarHBondContact OG-NH2 2.94Å |
| 494 | F | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 0% | 0.004 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -56.1 | -43.6 | 172.9 | -72.3 | -91.8 | 0 | 0 | 0 | 112.4 | Y491 A492 L496 M498 W707 F708 A711 W833 A834 L837 | Y491-F494 WeakPolarHBondContact O-CD2 3.4Å; A492-F494 PolarHBondContact O-N 3.33Å; A492-F494 VanDerWaalsContact O-N 3.11Å; F494-L496 VanDerWaalsContact C-N 3.33Å; F494-L496 PolarHBondContact O-N 3.24Å; F494-M498 VanDerWaalsContact O-CB 3.28Å; F494-M498 WeakPolarHBondContact O-CB 3.5Å; F494-M498 WeakPolarHBondContact O-CG 3.35Å; F494-M498 PolarHBondContact O-N 2.96Å; F494-M498 VanDerWaalsContact O-N 3.09Å; F494-W707 HydrophobicContact CD2-CH2 4.44Å; F494-W707 HydrophobicContact CD2-CZ2 4.2Å; F494-W707 HydrophobicContact CE1-CZ2 4.48Å; F494-W707 AromaticContact CE2-CH2 3.59Å; F494-W707 HydrophobicContact CE2-CH2 3.59Å; F494-W707 AromaticContact CE2-CZ2 3.34Å; F494-W707 HydrophobicContact CE2-CZ2 3.34Å; F494-W707 HydrophobicContact CZ-CH2 4.13Å; F494-W707 AromaticContact CZ-CZ2 3.51Å; F494-W707 HydrophobicContact CZ-CZ2 3.51Å; F494-F708 HydrophobicContact CE2-CD2 4.41Å; F494-F708 AromaticContact CE2-CE2 3.78Å; F494-F708 HydrophobicContact CE2-CE2 3.78Å; F494-F708 HydrophobicContact CZ-CD2 4.13Å; F494-F708 AromaticContact CZ-CE2 3.74Å; F494-F708 HydrophobicContact CZ-CE2 3.74Å; F494-F708 HydrophobicContact CZ-CZ 4.37Å; F494-A711 HydrophobicContact CE1-CB 3.74Å; F494-A711 HydrophobicContact CZ-CB 3.94Å; F494-W833 HydrophobicContact CB-CB 4.03Å; F494-A834 HydrophobicContact CB-CB 4.3Å; F494-A834 HydrophobicContact CD1-CB 3.7Å; F494-A834 HydrophobicContact CD2-CB 3.85Å; F494-A834 HydrophobicContact CE1-CB 3.89Å; F494-A834 HydrophobicContact CE2-CB 4.04Å; F494-A834 HydrophobicContact CG-CB 3.67Å; F494-A834 HydrophobicContact CZ-CB 4.06Å; F494-L837 HydrophobicContact CD1-CD2 3.84Å; F494-L837 HydrophobicContact CE1-CD2 3.71Å |
| 495 | A | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L429 A492 S493 L499 L830 W833 | L429-A495 HydrophobicContact CD2-CB 3.86Å; A492-A495 PolarHBondContact O-N 3.13Å; S493-A495 VanDerWaalsContact C-N 3.31Å; S493-A495 PolarHBondContact O-N 3.43Å; A495-L499 VanDerWaalsContact O-CB 3.27Å; A495-L499 WeakPolarHBondContact O-CB 3.48Å; A495-L499 WeakPolarHBondContact O-CG 3.4Å; A495-L499 PolarHBondContact O-N 3.2Å; A495-L499 VanDerWaalsContact O-N 3.12Å; A495-L830 HydrophobicContact CB-CB 4.09Å; A495-L830 HydrophobicContact CB-CD2 4.12Å; A495-W833 HydrophobicContact CB-CB 4.18Å; A495-W833 HydrophobicContact CB-CG 3.92Å |
| 496 | L | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.005 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -71.4 | -47.8 | -179.8 | -66.4 | -179.2 | 0 | 0 | 0 | 112.3 | V432 F472 Y474 S493 F494 M498 L499 W500 A504 | V432-L496 HydrophobicContact CG1-CD2 3.94Å; V432-L496 HydrophobicContact CG2-CD2 4.38Å; F472-L496 HydrophobicContact CD1-CD1 4.3Å; F472-L496 HydrophobicContact CE1-CD1 3.74Å; F472-L496 HydrophobicContact CE1-CD2 4.19Å; F472-L496 HydrophobicContact CZ-CD2 4.4Å; Y474-L496 HydrophobicContact CD1-CD1 4.49Å; Y474-L496 HydrophobicContact CE1-CD1 3.6Å; S493-L496 PolarHBondContact O-N 2.91Å; F494-L496 VanDerWaalsContact C-N 3.33Å; F494-L496 PolarHBondContact O-N 3.24Å; L496-M498 VanDerWaalsContact C-N 3.26Å; L496-M498 PolarHBondContact O-N 3.46Å; L496-L499 PolarHBondContact O-N 3.21Å; L496-W500 HydrophobicContact CD2-CE3 4.13Å; L496-W500 CarbonylContact O-C 3.14Å; L496-W500 VanDerWaalsContact O-CA 3.28Å; L496-W500 WeakPolarHBondContact O-CA 3.47Å; L496-W500 PolarHBondContact O-N 3.39Å; L496-A504 HydrophobicContact CB-CB 3.91Å |
| 497 | I | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 7.1 Ų | 7.1 | 3% | 0.026 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -66.2 | -32.1 | -176.7 | -167.2 | 63.2 | 0 | 0 | 0 | 111.9 | S493 P501 A504 L505 D580 L583 T584 | S493-I497 WeakPolarHBondContact O-CG2 3.25Å; S493-I497 PolarHBondContact O-N 3.01Å; I497-P501 HydrophobicContact CD1-CB 4.2Å; I497-P501 WeakPolarHBondContact O-CB 3.31Å; I497-A504 HydrophobicContact CB-CB 4.05Å; I497-A504 HydrophobicContact CD1-CB 3.85Å; I497-L505 HydrophobicContact CD1-CD2 4.38Å; I497-D580 HydrophobicContact CD1-CB 3.75Å; I497-D580 HydrophobicContact CG1-CB 4.26Å; I497-D580 WeakPolarHBondContact CG1-OD1 3.42Å; I497-L583 HydrophobicContact CB-CD1 4.5Å; I497-L583 HydrophobicContact CG1-CB 4.28Å; I497-L583 HydrophobicContact CG1-CD1 3.91Å; I497-L583 HydrophobicContact CG2-CD1 3.72Å; I497-T584 HydrophobicContact CD1-CG2 3.8Å |
| 498 | M | 98.7 | Very high | 98.6 | Very high | 38 Ų | 38 | 7 Ų | 7 | 19% | 0.187 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -77.3 | -37.5 | 178.2 | -67.4 | 176.2 | 70.6 | 0 | 0 | 112.8 | F494 L496 W833 Q836 L837 | F494-M498 VanDerWaalsContact O-CB 3.28Å; F494-M498 WeakPolarHBondContact O-CB 3.5Å; F494-M498 WeakPolarHBondContact O-CG 3.35Å; F494-M498 PolarHBondContact O-N 2.96Å; F494-M498 VanDerWaalsContact O-N 3.09Å; L496-M498 VanDerWaalsContact C-N 3.26Å; L496-M498 PolarHBondContact O-N 3.46Å; M498-W833 HydrophobicContact CB-CE3 4.34Å; M498-W833 HydrophobicContact CE-CE3 3.87Å; M498-W833 HydrophobicContact CE-CZ3 4.21Å; M498-W833 HydrophobicContact SD-CB 4.33Å; M498-W833 HydrophobicContact SD-CE3 3.99Å; M498-W833 VanDerWaalsContact SD-O 3.41Å; M498-Q836 HydrophobicContact CE-CB 4.3Å; M498-Q836 HydrophobicContact CE-CG 4.24Å; M498-L837 HydrophobicContact CE-CB 4.11Å; M498-L837 HydrophobicContact CE-CD1 4.47Å; M498-L837 HydrophobicContact SD-CB 3.87Å; M498-L837 HydrophobicContact SD-CD1 4.5Å |
| 499 | L | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 7.3 Ų | 7.3 | 6% | 0.058 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -109.1 | -33.9 | -169.7 | -57.5 | 175.7 | 0 | 0 | 0 | 114.2 | P203 H204 W407 L429 A495 L496 P501 W833 | P203-L499 CarbonylContact C-O 3.57Å; P203-L499 WeakPolarHBondContact CA-O 3.29Å; P203-L499 HydrophobicContact CB-CB 4.02Å; P203-L499 HydrophobicContact CB-CD2 3.96Å; P203-L499 HydrophobicContact CG-CB 4.24Å; P203-L499 HydrophobicContact CG-CD2 3.84Å; P203-L499 HydrophobicContact CG-CG 4.46Å; H204-L499 PolarHBondContact N-O 3.06Å; W407-L499 HydrophobicContact CZ3-CD2 4.25Å; L429-L499 HydrophobicContact CD1-CD1 3.71Å; L429-L499 HydrophobicContact CD2-CD1 3.67Å; L429-L499 HydrophobicContact CG-CD1 4.34Å; A495-L499 VanDerWaalsContact O-CB 3.27Å; A495-L499 WeakPolarHBondContact O-CB 3.48Å; A495-L499 WeakPolarHBondContact O-CG 3.4Å; A495-L499 PolarHBondContact O-N 3.2Å; A495-L499 VanDerWaalsContact O-N 3.12Å; L496-L499 PolarHBondContact O-N 3.21Å; L499-P501 VanDerWaalsContact C-CD 3.48Å; L499-W833 HydrophobicContact CD1-CD2 4.11Å; L499-W833 HydrophobicContact CD1-CE3 4.23Å; L499-W833 HydrophobicContact CD1-CH2 3.88Å; L499-W833 HydrophobicContact CD1-CZ2 3.71Å; L499-W833 HydrophobicContact CD1-CZ3 4.12Å; L499-W833 HydrophobicContact CD2-CE3 4.32Å; L499-W833 HydrophobicContact CD2-CH2 3.72Å; L499-W833 HydrophobicContact CD2-CZ2 4.41Å; L499-W833 HydrophobicContact CD2-CZ3 3.65Å; L499-W833 HydrophobicContact CG-CE3 4.24Å; L499-W833 HydrophobicContact CG-CH2 4.21Å; L499-W833 HydrophobicContact CG-CZ3 4.05Å |
| 500 | W | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 0% | 0.004 | 4% | 0.036 | C | C | . | . | trans | -132.9 | 60.8 | 177.7 | -61.1 | -78.7 | 0 | 0 | 0 | 110.9 | I102 V201 I202 Y206 L429 V432 L496 K502 L503 A504 | I102-W500 HydrophobicContact CD1-CD2 3.94Å; I102-W500 HydrophobicContact CD1-CE3 4.4Å; I102-W500 HydrophobicContact CD1-CG 4.43Å; I102-W500 HydrophobicContact CD1-CH2 4.28Å; I102-W500 HydrophobicContact CD1-CZ2 3.81Å; V201-W500 HydrophobicContact CG1-CH2 3.69Å; V201-W500 HydrophobicContact CG1-CZ2 3.44Å; V201-W500 VanDerWaalsContact CG1-CZ2 3.44Å; I202-W500 PolarHBondContact O-NE1 2.94Å; Y206-W500 HydrophobicContact CE1-CB 4.11Å; L429-W500 HydrophobicContact CD2-CZ3 4.34Å; V432-W500 HydrophobicContact CB-CZ3 4.34Å; V432-W500 HydrophobicContact CG1-CE3 4.17Å; V432-W500 HydrophobicContact CG1-CH2 4.48Å; V432-W500 HydrophobicContact CG1-CZ3 3.93Å; V432-W500 HydrophobicContact CG2-CZ3 4.12Å; L496-W500 HydrophobicContact CD2-CE3 4.13Å; L496-W500 CarbonylContact O-C 3.14Å; L496-W500 VanDerWaalsContact O-CA 3.28Å; L496-W500 WeakPolarHBondContact O-CA 3.47Å; L496-W500 PolarHBondContact O-N 3.39Å; W500-K502 PolarHBondContact O-N 2.98Å; W500-L503 HydrophobicContact CB-CB 4.22Å; W500-L503 HydrophobicContact CB-CD1 3.95Å; W500-L503 HydrophobicContact CB-CG 4.12Å; W500-L503 HydrophobicContact CG-CD1 4.31Å; W500-L503 WeakPolarHBondContact O-CB 3.21Å; W500-L503 PolarHBondContact O-N 3.36Å; W500-A504 PolarHBondContact O-N 3.09Å | ||
| 501 | P | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 7.3 Ų | 7.3 | 12% | 0.123 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -54.4 | -34.6 | -172.3 | 17 | -31.6 | 0 | 0 | 0 | 113.8 | Y206 I497 L499 L503 A504 L505 T584 | Y206-P501 WeakPolarHBondContact OH-CD 3.42Å; I497-P501 HydrophobicContact CD1-CB 4.2Å; I497-P501 WeakPolarHBondContact O-CB 3.31Å; L499-P501 VanDerWaalsContact C-CD 3.48Å; P501-L503 VanDerWaalsContact C-N 3.3Å; P501-L503 PolarHBondContact O-N 2.92Å; P501-A504 PolarHBondContact O-N 2.69Å; P501-L505 WeakPolarHBondContact O-CG 3.46Å; P501-L505 PolarHBondContact O-N 3.01Å; P501-T584 HydrophobicContact CB-CG2 4.04Å |
| 502 | K | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 7.3 Ų | 7.3 | 29% | 0.287 | 4% | 0.036 | S | C | . | . | H | α-helix | trans | -65.7 | -29.8 | 177 | -53.3 | -61.2 | -178.4 | -175.5 | 0 | 113.5 | Y206 L465 Y469 W500 S506 | Y206-K502 HydrophobicContact CE1-CB 3.77Å; Y206-K502 HydrophobicContact CE1-CG 4.27Å; Y206-K502 HydrophobicContact CE2-CB 4.3Å; Y206-K502 HydrophobicContact CE2-CG 3.91Å; Y206-K502 WeakPolarHBondContact OH-CG 3.35Å; Y206-K502 PolarHBondContact OH-N 2.89Å; L465-K502 HydrophobicContact CD1-CD 3.92Å; L465-K502 WeakPolarHBondContact CD2-O 3.25Å; Y469-K502 HydrophobicContact CD1-CB 3.66Å; Y469-K502 HydrophobicContact CD1-CG 4.1Å; Y469-K502 HydrophobicContact CD2-CB 3.72Å; Y469-K502 HydrophobicContact CD2-CD 4.25Å; Y469-K502 HydrophobicContact CD2-CG 4.03Å; Y469-K502 HydrophobicContact CE1-CB 3.92Å; Y469-K502 HydrophobicContact CE1-CG 3.81Å; Y469-K502 HydrophobicContact CE2-CB 4.01Å; Y469-K502 HydrophobicContact CE2-CD 3.86Å; Y469-K502 HydrophobicContact CE2-CG 3.77Å; Y469-K502 HydrophobicContact CG-CB 3.56Å; Y469-K502 HydrophobicContact CG-CG 4.22Å; W500-K502 PolarHBondContact O-N 2.98Å; K502-S506 WeakPolarHBondContact O-CB 3.4Å; K502-S506 PolarHBondContact O-N 2.85Å; K502-S506 VanDerWaalsContact O-N 3.12Å |
| 503 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -74.8 | -41.6 | 171.8 | -61 | -176.7 | 0 | 0 | 0 | 111.4 | I102 Y206 W439 F472 W500 P501 L505 S506 V507 | I102-L503 HydrophobicContact CG2-CD1 4.41Å; Y206-L503 HydrophobicContact CD1-CG 4.32Å; Y206-L503 HydrophobicContact CE1-CG 4.13Å; W439-L503 HydrophobicContact CD2-CD2 4.14Å; W439-L503 HydrophobicContact CE3-CD1 4.42Å; W439-L503 HydrophobicContact CH2-CD1 4.35Å; W439-L503 HydrophobicContact CH2-CD2 4.16Å; W439-L503 HydrophobicContact CZ2-CD2 3.57Å; W439-L503 HydrophobicContact CZ3-CD1 4.29Å; F472-L503 HydrophobicContact CB-CD2 4.32Å; F472-L503 HydrophobicContact CD1-CB 4.39Å; F472-L503 HydrophobicContact CD2-CD1 3.95Å; F472-L503 HydrophobicContact CD2-CD2 4.23Å; F472-L503 HydrophobicContact CD2-CG 4.46Å; F472-L503 HydrophobicContact CE2-CD1 3.98Å; F472-L503 HydrophobicContact CG-CB 4.21Å; F472-L503 HydrophobicContact CG-CD1 4.46Å; F472-L503 HydrophobicContact CG-CD2 4.4Å; F472-L503 HydrophobicContact CZ-CD1 4.49Å; W500-L503 HydrophobicContact CB-CB 4.22Å; W500-L503 HydrophobicContact CB-CD1 3.95Å; W500-L503 HydrophobicContact CB-CG 4.12Å; W500-L503 HydrophobicContact CG-CD1 4.31Å; W500-L503 WeakPolarHBondContact O-CB 3.21Å; W500-L503 PolarHBondContact O-N 3.36Å; P501-L503 VanDerWaalsContact C-N 3.3Å; P501-L503 PolarHBondContact O-N 2.92Å; L503-L505 PolarHBondContact O-N 2.78Å; L503-S506 WeakPolarHBondContact O-CB 3.45Å; L503-S506 PolarHBondContact O-N 3.16Å; L503-S506 VanDerWaalsContact O-N 3.17Å; L503-V507 PolarHBondContact O-N 3.16Å |
| 504 | A | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.008 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L496 I497 W500 P501 S506 V507 Q508 | L496-A504 HydrophobicContact CB-CB 3.91Å; I497-A504 HydrophobicContact CB-CB 4.05Å; I497-A504 HydrophobicContact CD1-CB 3.85Å; W500-A504 PolarHBondContact O-N 3.09Å; P501-A504 PolarHBondContact O-N 2.69Å; A504-S506 VanDerWaalsContact C-N 3.3Å; A504-S506 PolarHBondContact O-N 3.04Å; A504-V507 WeakPolarHBondContact O-CB 3.46Å; A504-V507 PolarHBondContact O-N 3.34Å; A504-Q508 WeakPolarHBondContact O-CG 3.37Å; A504-Q508 PolarHBondContact O-N 3.4Å; A504-Q508 VanDerWaalsContact O-N 3.11Å |
| 505 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64.1 | -34.4 | 177 | -63.4 | -177.4 | 0 | 0 | 0 | 112.2 | L465 I497 P501 L503 Q508 Y509 D580 T584 Y589 | L465-L505 HydrophobicContact CD1-CB 3.67Å; L465-L505 HydrophobicContact CD1-CD1 3.58Å; L465-L505 HydrophobicContact CD1-CG 4.28Å; L465-L505 HydrophobicContact CD2-CB 3.88Å; L465-L505 HydrophobicContact CG-CB 4.47Å; I497-L505 HydrophobicContact CD1-CD2 4.38Å; P501-L505 WeakPolarHBondContact O-CG 3.46Å; P501-L505 PolarHBondContact O-N 3.01Å; L503-L505 PolarHBondContact O-N 2.78Å; L505-Q508 PolarHBondContact O-N 3.49Å; L505-Y509 VanDerWaalsContact O-CD2 3.25Å; L505-Y509 WeakPolarHBondContact O-CD2 3.46Å; L505-Y509 PolarHBondContact O-N 3Å; L505-D580 HydrophobicContact CD2-CB 3.87Å; L505-T584 HydrophobicContact CD1-CG2 4.22Å; L505-Y589 HydrophobicContact CD2-CD1 4.1Å; L505-Y589 HydrophobicContact CD2-CD2 3.89Å; L505-Y589 HydrophobicContact CD2-CE1 3.92Å; L505-Y589 HydrophobicContact CD2-CE2 3.69Å; L505-Y589 HydrophobicContact CD2-CG 4.08Å |
| 506 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62 | -46 | 175 | -178.6 | 0 | 0 | 0 | 0 | 112 | G470 K502 L503 A504 Q508 Y509 D510 | G470-S506 PolarHBondContact O-OG 3.1Å; K502-S506 WeakPolarHBondContact O-CB 3.4Å; K502-S506 PolarHBondContact O-N 2.85Å; K502-S506 VanDerWaalsContact O-N 3.12Å; L503-S506 WeakPolarHBondContact O-CB 3.45Å; L503-S506 PolarHBondContact O-N 3.16Å; L503-S506 VanDerWaalsContact O-N 3.17Å; A504-S506 VanDerWaalsContact C-N 3.3Å; A504-S506 PolarHBondContact O-N 3.04Å; S506-Q508 VanDerWaalsContact C-N 3.27Å; S506-Q508 PolarHBondContact O-N 2.89Å; S506-Y509 PolarHBondContact O-N 2.86Å; S506-D510 PolarHBondContact O-N 3.37Å |
| 507 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56.2 | -44 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | F472 L503 A504 Y509 D510 I511 | F472-V507 HydrophobicContact CB-CG2 4.15Å; F472-V507 HydrophobicContact CD1-CG2 3.69Å; F472-V507 HydrophobicContact CG-CG2 4.41Å; L503-V507 PolarHBondContact O-N 3.16Å; A504-V507 WeakPolarHBondContact O-CB 3.46Å; A504-V507 PolarHBondContact O-N 3.34Å; V507-Y509 PolarHBondContact O-N 3.49Å; V507-D510 PolarHBondContact O-N 3.31Å; V507-I511 HydrophobicContact CG1-CG1 4.25Å; V507-I511 VanDerWaalsContact O-CG1 3.31Å; V507-I511 WeakPolarHBondContact O-CG1 3.32Å; V507-I511 PolarHBondContact O-N 3.46Å |
| 508 | Q | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | -178.9 | -66.6 | -70.2 | 71.5 | 0 | 0 | 113 | Y486 A504 L505 S506 I511 A512 Q576 D580 Y589 | Y486-Q508 PolarHBondContact OH-NE2 3.08Å; Y486-Q508 PolarHBondContact OH-OE1 3.1Å; A504-Q508 WeakPolarHBondContact O-CG 3.37Å; A504-Q508 PolarHBondContact O-N 3.4Å; A504-Q508 VanDerWaalsContact O-N 3.11Å; L505-Q508 PolarHBondContact O-N 3.49Å; S506-Q508 VanDerWaalsContact C-N 3.27Å; S506-Q508 PolarHBondContact O-N 2.89Å; Q508-I511 PolarHBondContact O-N 3.32Å; Q508-A512 WeakPolarHBondContact O-CB 3.12Å; Q508-A512 PolarHBondContact O-N 3.04Å; Q508-Q576 VanDerWaalsContact NE2-CB 3.34Å; Q508-D580 WeakPolarHBondContact CG-OD2 3.46Å; Q508-Y589 HydrophobicContact CB-CE2 3.94Å; Q508-Y589 VanDerWaalsContact CB-OH 3.27Å; Q508-Y589 WeakPolarHBondContact CB-OH 3.49Å; Q508-Y589 WeakPolarHBondContact CG-OH 3.36Å |
| 509 | Y | 98.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 173 | -85.4 | -70.7 | 0 | 0 | 0 | 112.1 | L459 P463 L465 V466 L505 S506 V507 A512 G513 Y589 D592 M593 | L459-Y509 HydrophobicContact CD1-CD1 4.38Å; L459-Y509 HydrophobicContact CD2-CD1 4.22Å; L459-Y509 HydrophobicContact CD2-CE1 4.29Å; P463-Y509 HydrophobicContact CB-CD1 3.85Å; P463-Y509 HydrophobicContact CB-CD2 4.36Å; P463-Y509 HydrophobicContact CB-CE1 3.83Å; P463-Y509 HydrophobicContact CB-CE2 4.34Å; P463-Y509 HydrophobicContact CB-CG 4.13Å; P463-Y509 HydrophobicContact CG-CD1 3.59Å; P463-Y509 HydrophobicContact CG-CE1 3.94Å; P463-Y509 HydrophobicContact CG-CG 4.06Å; L465-Y509 HydrophobicContact CB-CE2 4.34Å; L465-Y509 HydrophobicContact CD2-CD2 4.24Å; L465-Y509 HydrophobicContact CD2-CE2 4.47Å; V466-Y509 HydrophobicContact CG2-CD2 4.11Å; V466-Y509 HydrophobicContact CG2-CG 4.12Å; L505-Y509 VanDerWaalsContact O-CD2 3.25Å; L505-Y509 WeakPolarHBondContact O-CD2 3.46Å; L505-Y509 PolarHBondContact O-N 3Å; S506-Y509 PolarHBondContact O-N 2.86Å; V507-Y509 PolarHBondContact O-N 3.49Å; Y509-A512 PolarHBondContact O-N 3.08Å; Y509-G513 PolarHBondContact O-N 3.28Å; Y509-Y589 HydrophobicContact CD2-CD2 4.36Å; Y509-Y589 AromaticContact CE2-CD2 3.72Å; Y509-Y589 HydrophobicContact CE2-CD2 3.72Å; Y509-Y589 HydrophobicContact CE2-CE2 4.36Å; Y509-Y589 AromaticContact CZ-CD2 3.92Å; Y509-D592 HydrophobicContact CE1-CB 3.88Å; Y509-D592 WeakPolarHBondContact CE1-OD2 3.1Å; Y509-D592 PolarHBondContact OH-OD2 2.8Å; Y509-M593 HydrophobicContact CD1-CE 3.34Å; Y509-M593 HydrophobicContact CD2-CE 4.15Å; Y509-M593 HydrophobicContact CE1-CE 3.62Å; Y509-M593 HydrophobicContact CE2-CE 4.37Å; Y509-M593 HydrophobicContact CG-CE 3.64Å |
| 510 | D | 96.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.5 | -50.1 | 174.9 | -90 | -28.9 | 0 | 0 | 0 | 110.6 | R471 S506 V507 A512 G513 T514 W552 | R471-D510 IonicContact CZ-OD1 3.43Å; R471-D510 VanDerWaalsContact CZ-OD1 3.29Å; R471-D510 IonicContact CZ-OD2 2.77Å; R471-D510 IonicContact NE-OD1 3.66Å; R471-D510 PolarHBondContact NE-OD1 2.9Å; R471-D510 IonicContact NE-OD2 3.77Å; R471-D510 PolarHBondContact NE-OD2 2.67Å; R471-D510 IonicContact NH2-OD1 3.7Å; R471-D510 PolarHBondContact NH2-OD1 3.43Å; R471-D510 IonicContact NH2-OD2 3.26Å; S506-D510 PolarHBondContact O-N 3.37Å; V507-D510 PolarHBondContact O-N 3.31Å; D510-A512 PolarHBondContact O-N 3.42Å; D510-G513 PolarHBondContact O-N 3.47Å; D510-T514 WeakPolarHBondContact O-CG2 3.24Å; D510-T514 PolarHBondContact O-N 2.63Å; D510-T514 VanDerWaalsContact O-N 3.13Å; D510-W552 PolarHBondContact OD2-NE1 3.47Å |
| 511 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 179.2 | -65.3 | -71.1 | 0 | 0 | 0 | 111.1 | Y486 V507 Q508 G513 T514 V515 V540 P541 I544 F573 | Y486-I511 HydrophobicContact CD2-CB 4.44Å; Y486-I511 HydrophobicContact CD2-CD1 3.74Å; Y486-I511 HydrophobicContact CD2-CG1 3.71Å; Y486-I511 HydrophobicContact CD2-CG2 4.07Å; Y486-I511 HydrophobicContact CE1-CG2 4.5Å; Y486-I511 HydrophobicContact CE2-CB 4.08Å; Y486-I511 HydrophobicContact CE2-CD1 4.22Å; Y486-I511 HydrophobicContact CE2-CG1 3.67Å; Y486-I511 HydrophobicContact CE2-CG2 3.79Å; Y486-I511 HydrophobicContact CG-CD1 4.45Å; V507-I511 HydrophobicContact CG1-CG1 4.25Å; V507-I511 VanDerWaalsContact O-CG1 3.31Å; V507-I511 WeakPolarHBondContact O-CG1 3.32Å; V507-I511 PolarHBondContact O-N 3.46Å; Q508-I511 PolarHBondContact O-N 3.32Å; I511-G513 VanDerWaalsContact C-N 3.25Å; I511-G513 PolarHBondContact O-N 2.78Å; I511-T514 WeakPolarHBondContact O-CA 3.28Å; I511-T514 PolarHBondContact O-N 3.26Å; I511-T514 PolarHBondContact O-OG1 3.24Å; I511-V515 PolarHBondContact O-N 3.12Å; I511-V515 VanDerWaalsContact O-N 3.08Å; I511-V540 HydrophobicContact CG2-CG1 3.9Å; I511-P541 HydrophobicContact CD1-CG 4.38Å; I511-I544 HydrophobicContact CD1-CG2 3.58Å; I511-F573 HydrophobicContact CG2-CD2 3.78Å; I511-F573 HydrophobicContact CG2-CE2 4Å |
| 512 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.4 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L459 Q508 Y509 D510 T514 V515 F573 M593 I596 | L459-A512 HydrophobicContact CD1-CB 3.68Å; Q508-A512 WeakPolarHBondContact O-CB 3.12Å; Q508-A512 PolarHBondContact O-N 3.04Å; Y509-A512 PolarHBondContact O-N 3.08Å; D510-A512 PolarHBondContact O-N 3.42Å; A512-T514 VanDerWaalsContact C-N 3.3Å; A512-T514 PolarHBondContact O-N 3.11Å; A512-V515 WeakPolarHBondContact O-CB 3.34Å; A512-V515 PolarHBondContact O-N 3.33Å; A512-F573 HydrophobicContact CB-CE2 3.96Å; A512-F573 HydrophobicContact CB-CZ 3.76Å; A512-M593 HydrophobicContact CB-CE 3.88Å; A512-M593 HydrophobicContact CB-SD 3.53Å; A512-M593 VanDerWaalsContact CB-SD 3.53Å; A512-I596 HydrophobicContact CB-CG1 4.38Å; A512-I596 HydrophobicContact CB-CG2 4.17Å |
| 513 | G | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -35.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I448 G450 L459 Y509 D510 I511 V516 Q517 | I448-G513 WeakPolarHBondContact O-CA 3.47Å; G450-G513 VanDerWaalsContact CA-O 3.26Å; G450-G513 WeakPolarHBondContact CA-O 3.42Å; L459-G513 VanDerWaalsContact CD1-N 3.33Å; Y509-G513 PolarHBondContact O-N 3.28Å; D510-G513 PolarHBondContact O-N 3.47Å; I511-G513 VanDerWaalsContact C-N 3.25Å; I511-G513 PolarHBondContact O-N 2.78Å; G513-V516 WeakPolarHBondContact O-CG2 3.49Å; G513-Q517 WeakPolarHBondContact O-CG 3.26Å; G513-Q517 PolarHBondContact O-NE2 2.99Å; G513-Q517 VanDerWaalsContact O-NE2 3.08Å |
| 514 | T | 96.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.1 | -24.6 | 176.8 | 66.9 | 0 | 0 | 0 | 0 | 113.8 | D510 I511 A512 V516 Q517 K535 P541 L555 | D510-T514 WeakPolarHBondContact O-CG2 3.24Å; D510-T514 PolarHBondContact O-N 2.63Å; D510-T514 VanDerWaalsContact O-N 3.13Å; I511-T514 WeakPolarHBondContact O-CA 3.28Å; I511-T514 PolarHBondContact O-N 3.26Å; I511-T514 PolarHBondContact O-OG1 3.24Å; A512-T514 VanDerWaalsContact C-N 3.3Å; A512-T514 PolarHBondContact O-N 3.11Å; T514-V516 VanDerWaalsContact C-N 3.32Å; T514-V516 PolarHBondContact O-N 3.35Å; T514-Q517 WeakPolarHBondContact O-CB 3.17Å; T514-Q517 PolarHBondContact O-N 2.99Å; T514-K535 WeakPolarHBondContact O-CE 3.31Å; T514-K535 PolarHBondContact O-NZ 3.21Å; T514-P541 WeakPolarHBondContact OG1-CD 3.36Å; T514-P541 WeakPolarHBondContact OG1-CG 3.41Å; T514-L555 HydrophobicContact CG2-CD1 3.6Å; T514-L555 HydrophobicContact CG2-CD2 3.72Å; T514-L555 HydrophobicContact CG2-CG 4.31Å |
| 515 | V | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | -180 | 167.2 | 0 | 0 | 0 | 0 | 111 | I511 A512 Q517 K535 N538 V540 I596 V600 | I511-V515 PolarHBondContact O-N 3.12Å; I511-V515 VanDerWaalsContact O-N 3.08Å; A512-V515 WeakPolarHBondContact O-CB 3.34Å; A512-V515 PolarHBondContact O-N 3.33Å; V515-Q517 VanDerWaalsContact C-N 3.27Å; V515-Q517 PolarHBondContact O-N 3.24Å; V515-K535 PolarHBondContact O-NZ 3.18Å; V515-N538 WeakPolarHBondContact O-CA 3.48Å; V515-N538 PolarHBondContact O-N 2.86Å; V515-V540 HydrophobicContact CG2-CB 4.36Å; V515-V540 HydrophobicContact CG2-CG2 3.59Å; V515-I596 HydrophobicContact CB-CG2 3.87Å; V515-I596 HydrophobicContact CG1-CG2 3.79Å; V515-I596 HydrophobicContact CG2-CG2 4.09Å; V515-V600 HydrophobicContact CG1-CG1 3.45Å; V515-V600 VanDerWaalsContact CG1-CG1 3.45Å; V515-V600 HydrophobicContact CG2-CG1 4.21Å |
| 516 | V | 93.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 31 Ų | 31 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.3 | -176.2 | -63 | 0 | 0 | 0 | 0 | 113.8 | S449 V452 G513 T514 I596 | S449-V516 VanDerWaalsContact O-CG2 3.27Å; S449-V516 WeakPolarHBondContact O-CG2 3.2Å; V452-V516 HydrophobicContact CB-CB 4.36Å; V452-V516 HydrophobicContact CB-CG2 4.13Å; V452-V516 HydrophobicContact CG2-CB 3.91Å; V452-V516 HydrophobicContact CG2-CG2 3.99Å; G513-V516 WeakPolarHBondContact O-CG2 3.49Å; T514-V516 VanDerWaalsContact C-N 3.32Å; T514-V516 PolarHBondContact O-N 3.35Å; V516-I596 HydrophobicContact CG1-CD1 3.64Å |
| 517 | Q | 93 | Very high | 95.9 | Very high | 55 Ų | 55 | 33.4 Ų | 33.4 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | trans | -79.9 | 156.2 | 175 | -64.1 | 174.1 | 35.5 | 0 | 0 | 111.9 | G450 G513 T514 V515 K535 | G450-Q517 WeakPolarHBondContact O-CG 3.45Å; G513-Q517 WeakPolarHBondContact O-CG 3.26Å; G513-Q517 PolarHBondContact O-NE2 2.99Å; G513-Q517 VanDerWaalsContact O-NE2 3.08Å; T514-Q517 WeakPolarHBondContact O-CB 3.17Å; T514-Q517 PolarHBondContact O-N 2.99Å; V515-Q517 VanDerWaalsContact C-N 3.27Å; V515-Q517 PolarHBondContact O-N 3.24Å; Q517-K535 PolarHBondContact O-NZ 2.85Å | ||
| 518 | Q | 94.4 | Very high | 95.6 | Very high | 133 Ų | 133 | 37 Ų | 37 | 62% | 0.621 | 19% | 0.193 | S | C | * | . | trans | -135.6 | 148 | 169.6 | 65.4 | -177.9 | 5.2 | 0 | 0 | 110.5 | K535 K537 | Q518-K535 CarbonylContact C-O 3.5Å; Q518-K535 WeakPolarHBondContact CA-O 3.17Å; Q518-K537 HydrophobicContact CB-CB 4.17Å | ||
| 519 | D | 95.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 31% | 0.305 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 103.2 | 167.1 | -177.6 | -7.2 | 0 | 0 | 0 | 107.7 | T521 P533 V534 K535 | D519-T521 PolarHBondContact O-N 2.82Å; D519-T521 WeakPolarHBondContact OD1-CB 3.42Å; D519-T521 PolarHBondContact OD1-N 3.27Å; D519-T521 PolarHBondContact OD1-OG1 3.05Å; D519-P533 WeakPolarHBondContact O-CB 3Å; D519-V534 HydrophobicContact CB-CB 4Å; D519-V534 HydrophobicContact CB-CG1 4.27Å; D519-V534 PolarHBondContact O-N 3.24Å; D519-K535 HydrophobicContact CB-CB 3.95Å; D519-K535 PolarHBondContact N-O 2.79Å; D519-K535 PolarHBondContact O-N 3.47Å |
| 520 | P | 96.3 | Very high | 95.2 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 62% | 0.617 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 2.6 | -177.9 | 34.2 | -36.3 | 0 | 0 | 0 | 113 | E522 | P520-E522 PolarHBondContact O-N 2.77Å |
| 521 | T | 96.7 | Very high | 95.2 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 121.4 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 109.6 | D519 P533 V534 | D519-T521 PolarHBondContact O-N 2.82Å; D519-T521 WeakPolarHBondContact OD1-CB 3.42Å; D519-T521 PolarHBondContact OD1-N 3.27Å; D519-T521 PolarHBondContact OD1-OG1 3.05Å; T521-P533 CarbonylContact O-C 3.6Å; T521-V534 VanDerWaalsContact O-CG2 3.3Å; T521-V534 WeakPolarHBondContact O-CG2 3.49Å; T521-V534 PolarHBondContact O-N 3.05Å |
| 522 | E | 96 | Very high | 95.1 | Very high | 106 Ų | 106 | 54.3 Ų | 54.3 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 132 | 179.6 | -71 | -72.6 | 126.6 | 0 | 0 | 111.2 | P520 Y531 S532 P533 | P520-E522 PolarHBondContact O-N 2.77Å; E522-Y531 HydrophobicContact CB-CD1 4.28Å; E522-Y531 VanDerWaalsContact OE2-CB 3.29Å; E522-Y531 WeakPolarHBondContact OE2-CB 3.39Å; E522-S532 WeakPolarHBondContact CA-O 3.29Å; E522-S532 PolarHBondContact OE2-N 3.34Å; E522-P533 WeakPolarHBondContact OE1-CD 3.25Å |
| 523 | R | 94.6 | Very high | 95 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 13% | 0.125 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.7 | 175.3 | 64.5 | 173.3 | -179.7 | 172.5 | 9.8 | 111.9 | H525 Y531 S532 V534 N556 Y558 | R523-H525 PolarHBondContact NE-CE1 2.8Å; R523-Y531 VanDerWaalsContact O-CA 3.27Å; R523-Y531 WeakPolarHBondContact O-CA 3.34Å; R523-S532 WeakPolarHBondContact CG-O 3.36Å; R523-S532 PolarHBondContact N-O 2.85Å; R523-S532 PolarHBondContact O-N 3.37Å; R523-S532 VanDerWaalsContact O-N 3.14Å; R523-V534 HydrophobicContact CB-CG2 4.2Å; R523-V534 HydrophobicContact CG-CG2 4.03Å; R523-N556 PolarHBondContact NH1-O 3.28Å; R523-Y558 PolarHBondContact NH1-O 3.38Å; R523-Y558 PolarHBondContact NH2-O 3.2Å; R523-Y558 VanDerWaalsContact NH2-O 3.09Å |
| 524 | L | 95.5 | Very high | 95 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 29% | 0.293 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 122 | 175.9 | 179.5 | 69.2 | 0 | 0 | 0 | 110.7 | G529 Y531 | L524-G529 VanDerWaalsContact CD1-C 3.45Å; L524-G529 VanDerWaalsContact CD1-O 3.29Å; L524-G529 WeakPolarHBondContact CD1-O 3.36Å; L524-Y531 HydrophobicContact CB-CD1 4.36Å; L524-Y531 HydrophobicContact CB-CE1 3.89Å; L524-Y531 HydrophobicContact CB-CE2 4.24Å; L524-Y531 HydrophobicContact CD1-CD2 4.04Å; L524-Y531 HydrophobicContact CD1-CE2 3.69Å |
| 525 | H | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -87.6 | 131.1 | 171.1 | -65.7 | -83.7 | 0 | 0 | 0 | 111.2 | R523 G529 R530 L559 H561 D562 | R523-H525 PolarHBondContact NE-CE1 2.8Å; H525-G529 WeakPolarHBondContact O-CA 3.19Å; H525-G529 PolarHBondContact O-N 2.73Å; H525-R530 PolarHBondContact N-O 2.91Å; H525-L559 WeakPolarHBondContact CA-O 3.37Å; H525-H561 PolarHBondContact CE1-O 3.13Å; H525-H561 PolarHBondContact ND1-O 2.96Å; H525-D562 VanDerWaalsContact CE1-CA 3.43Å; H525-D562 WeakPolarHBondContact CE1-CA 3.29Å; H525-D562 WeakPolarHBondContact ND1-CA 3.47Å; H525-D562 PolarHBondContact ND1-N 3.02Å | ||
| 526 | L | 94.6 | Very high | 95 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -29.3 | -166.5 | -56.6 | -177.1 | 0 | 0 | 0 | 113.3 | L62 R65 Y66 W69 L559 I560 | L62-L526 HydrophobicContact CD1-CB 3.64Å; L62-L526 WeakPolarHBondContact CD1-O 3.34Å; R65-L526 HydrophobicContact CB-CD2 4.03Å; R65-L526 PolarHBondContact NE-O 3.37Å; R65-L526 PolarHBondContact NH2-O 3.46Å; R65-L526 VanDerWaalsContact NH2-O 3.1Å; Y66-L526 HydrophobicContact CD2-CD1 3.8Å; W69-L526 HydrophobicContact CB-CD1 4.2Å; W69-L526 HydrophobicContact CB-CD2 4.06Å; W69-L526 HydrophobicContact CD2-CD1 4.14Å; W69-L526 HydrophobicContact CE3-CD1 4.27Å; W69-L526 HydrophobicContact CG-CD1 4.1Å; W69-L526 HydrophobicContact CG-CD2 4.4Å; L526-L559 HydrophobicContact CD1-CD1 3.33Å; L526-L559 HydrophobicContact CD2-CD1 4.13Å; L526-L559 HydrophobicContact CG-CD1 3.41Å; L526-L559 VanDerWaalsContact CG-CD1 3.41Å; L526-L559 PolarHBondContact N-O 2.9Å; L526-I560 HydrophobicContact CB-CD1 4.47Å; L526-I560 HydrophobicContact CD1-CD1 4.03Å; L526-I560 PolarHBondContact N-O 2.96Å |
| 527 | M | 91.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 64 Ų | 64 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -54.7 | -178.6 | -176 | 59.8 | 79.7 | 0 | 0 | 111.6 | L62 R65 I560 H561 | L62-M527 HydrophobicContact CB-SD 4.46Å; L62-M527 HydrophobicContact CD2-CE 3.86Å; L62-M527 HydrophobicContact CD2-SD 4.06Å; R65-M527 PolarHBondContact NH2-O 2.76Å; M527-I560 HydrophobicContact CB-CG2 4.27Å; M527-I560 WeakPolarHBondContact CB-O 3.35Å; M527-I560 HydrophobicContact CE-CG2 4.24Å; M527-I560 PolarHBondContact N-O 3.27Å; M527-H561 WeakPolarHBondContact CE-NE2 3.2Å |
| 528 | N | 91 | Very high | 95.2 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -15.7 | -175 | 65 | 16.1 | 0 | 0 | 0 | 113.9 | R530 | N528-R530 VanDerWaalsContact C-N 3.33Å; N528-R530 HydrophobicContact CB-CG 4.39Å; N528-R530 WeakPolarHBondContact OD1-CB 3.29Å; N528-R530 PolarHBondContact OD1-N 3.47Å |
| 529 | G | 93.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | trans | 73.4 | 18.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L524 H525 | L524-G529 VanDerWaalsContact CD1-C 3.45Å; L524-G529 VanDerWaalsContact CD1-O 3.29Å; L524-G529 WeakPolarHBondContact CD1-O 3.36Å; H525-G529 WeakPolarHBondContact O-CA 3.19Å; H525-G529 PolarHBondContact O-N 2.73Å | ||
| 530 | R | 94.6 | Very high | 95.5 | Very high | 178 Ų | 178 | 55 Ų | 55 | 67% | 0.672 | 28% | 0.28 | S | S | * | . | trans | -92.2 | 154.1 | 177.2 | -63.4 | -176.2 | 178.3 | 177.4 | -0.1 | 111.2 | H525 N528 | H525-R530 PolarHBondContact N-O 2.91Å; N528-R530 VanDerWaalsContact C-N 3.33Å; N528-R530 HydrophobicContact CB-CG 4.39Å; N528-R530 WeakPolarHBondContact OD1-CB 3.29Å; N528-R530 PolarHBondContact OD1-N 3.47Å | ||
| 531 | Y | 96.3 | Very high | 95.6 | Very high | 146 Ų | 146 | 50.5 Ų | 50.5 | 57% | 0.573 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.8 | 169.5 | -75.2 | -99.7 | 0 | 0 | 0 | 109.6 | E522 R523 L524 | E522-Y531 HydrophobicContact CB-CD1 4.28Å; E522-Y531 VanDerWaalsContact OE2-CB 3.29Å; E522-Y531 WeakPolarHBondContact OE2-CB 3.39Å; R523-Y531 VanDerWaalsContact O-CA 3.27Å; R523-Y531 WeakPolarHBondContact O-CA 3.34Å; L524-Y531 HydrophobicContact CB-CD1 4.36Å; L524-Y531 HydrophobicContact CB-CE1 3.89Å; L524-Y531 HydrophobicContact CB-CE2 4.24Å; L524-Y531 HydrophobicContact CD1-CD2 4.04Å; L524-Y531 HydrophobicContact CD1-CE2 3.69Å |
| 532 | S | 95.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 162.4 | 176 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | E522 R523 | E522-S532 WeakPolarHBondContact CA-O 3.29Å; E522-S532 PolarHBondContact OE2-N 3.34Å; R523-S532 WeakPolarHBondContact CG-O 3.36Å; R523-S532 PolarHBondContact N-O 2.85Å; R523-S532 PolarHBondContact O-N 3.37Å; R523-S532 VanDerWaalsContact O-N 3.14Å |
| 533 | P | 96.8 | Very high | 95.8 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 146.5 | 176.1 | -28.1 | 37.1 | 0 | 0 | 0 | 112.7 | D519 T521 E522 K535 | D519-P533 WeakPolarHBondContact O-CB 3Å; T521-P533 CarbonylContact O-C 3.6Å; E522-P533 WeakPolarHBondContact OE1-CD 3.25Å; P533-K535 VanDerWaalsContact C-N 3.29Å; P533-K535 PolarHBondContact O-N 3.23Å |
| 534 | V | 96 | Very high | 95.9 | Very high | 23 Ų | 23 | 40 Ų | 40 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | -40.8 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | D519 T521 R523 N556 | D519-V534 HydrophobicContact CB-CB 4Å; D519-V534 HydrophobicContact CB-CG1 4.27Å; D519-V534 PolarHBondContact O-N 3.24Å; T521-V534 VanDerWaalsContact O-CG2 3.3Å; T521-V534 WeakPolarHBondContact O-CG2 3.49Å; T521-V534 PolarHBondContact O-N 3.05Å; R523-V534 HydrophobicContact CB-CG2 4.2Å; R523-V534 HydrophobicContact CG-CG2 4.03Å; V534-N556 PolarHBondContact O-ND2 3.12Å |
| 535 | K | 96.7 | Very high | 96 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 119.7 | -177.2 | 176.4 | 62.4 | 173.7 | 63 | 0 | 111.3 | T514 V515 Q517 Q518 D519 P533 V539 P541 L555 | T514-K535 WeakPolarHBondContact O-CE 3.31Å; T514-K535 PolarHBondContact O-NZ 3.21Å; V515-K535 PolarHBondContact O-NZ 3.18Å; Q517-K535 PolarHBondContact O-NZ 2.85Å; Q518-K535 CarbonylContact C-O 3.5Å; Q518-K535 WeakPolarHBondContact CA-O 3.17Å; D519-K535 HydrophobicContact CB-CB 3.95Å; D519-K535 PolarHBondContact N-O 2.79Å; D519-K535 PolarHBondContact O-N 3.47Å; P533-K535 VanDerWaalsContact C-N 3.29Å; P533-K535 PolarHBondContact O-N 3.23Å; K535-V539 WeakPolarHBondContact CE-O 3.5Å; K535-V539 PolarHBondContact NZ-O 2.63Å; K535-P541 HydrophobicContact CD-CB 4.32Å; K535-L555 HydrophobicContact CG-CD1 4.44Å |
| 536 | T | 96.3 | Very high | 96 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 31% | 0.307 | 19% | 0.186 | S | C | . | . | trans | -88.3 | 140 | 174.8 | -59.5 | 0 | 0 | 0 | 0 | 111 | V539 A564 | T536-V539 HydrophobicContact CG2-CG2 4.09Å; T536-V539 PolarHBondContact O-N 2.88Å; T536-A564 WeakPolarHBondContact OG1-CB 3.5Å | ||
| 537 | K | 95.7 | Very high | 96.1 | Very high | 101 Ų | 101 | 37.8 Ų | 37.8 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 145 | 176.9 | -168.4 | 173.1 | -178.4 | -179.4 | 0 | 111.2 | Q518 V539 | Q518-K537 HydrophobicContact CB-CB 4.17Å; K537-V539 PolarHBondContact O-N 3.25Å |
| 538 | N | 96.8 | Very high | 96.2 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 19.2 | -179.7 | -58.1 | -14.6 | 0 | 0 | 0 | 114.4 | V515 A599 S603 | V515-N538 WeakPolarHBondContact O-CA 3.48Å; V515-N538 PolarHBondContact O-N 2.86Å; N538-A599 HydrophobicContact CB-CB 4.39Å; N538-S603 PolarHBondContact O-OG 3.26Å |
| 539 | V | 97.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -118.9 | 131.3 | 173.5 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | K535 T536 K537 | K535-V539 WeakPolarHBondContact CE-O 3.5Å; K535-V539 PolarHBondContact NZ-O 2.63Å; T536-V539 HydrophobicContact CG2-CG2 4.09Å; T536-V539 PolarHBondContact O-N 2.88Å; K537-V539 PolarHBondContact O-N 3.25Å |
| 540 | V | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | trans | -62.3 | 129.1 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 109 | Y486 I511 V515 L569 N570 F573 V600 | Y486-V540 HydrophobicContact CD1-CG1 3.43Å; Y486-V540 VanDerWaalsContact CD1-CG1 3.43Å; Y486-V540 HydrophobicContact CE1-CG1 3.86Å; Y486-V540 HydrophobicContact CG-CG1 3.9Å; I511-V540 HydrophobicContact CG2-CG1 3.9Å; V515-V540 HydrophobicContact CG2-CB 4.36Å; V515-V540 HydrophobicContact CG2-CG2 3.59Å; V540-L569 HydrophobicContact CB-CB 4.22Å; V540-L569 HydrophobicContact CG1-CB 4.39Å; V540-N570 VanDerWaalsContact CG2-OD1 3.31Å; V540-N570 WeakPolarHBondContact CG2-OD1 3.5Å; V540-N570 PolarHBondContact N-OD1 2.84Å; V540-F573 HydrophobicContact CG2-CB 3.56Å; V540-F573 HydrophobicContact CG2-CD1 4.45Å; V540-F573 HydrophobicContact CG2-CD2 4.17Å; V540-F573 HydrophobicContact CG2-CG 3.82Å; V540-V600 HydrophobicContact CG2-CG1 4.16Å | ||
| 541 | P | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | trans | -65.2 | 150.5 | 174.6 | 31.7 | -36.7 | 0 | 0 | 0 | 110.3 | I511 T514 K535 D543 L555 N556 | I511-P541 HydrophobicContact CD1-CG 4.38Å; T514-P541 WeakPolarHBondContact OG1-CD 3.36Å; T514-P541 WeakPolarHBondContact OG1-CG 3.41Å; K535-P541 HydrophobicContact CD-CB 4.32Å; P541-D543 VanDerWaalsContact C-N 3.32Å; P541-L555 HydrophobicContact CB-CB 4.4Å; P541-N556 VanDerWaalsContact CA-OD1 3.24Å; P541-N556 WeakPolarHBondContact CA-OD1 3.18Å; P541-N556 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 542 | H | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -61.1 | -44.7 | 170.9 | 171.7 | -89.9 | 0 | 0 | 0 | 110.8 | T485 Y486 D487 N556 Y558 T563 W566 L569 | T485-H542 CarbonylContact C-O 3.56Å; T485-H542 VanDerWaalsContact CA-O 3.25Å; T485-H542 WeakPolarHBondContact CA-O 3.48Å; T485-H542 WeakPolarHBondContact CG2-CE1 3.47Å; T485-H542 WeakPolarHBondContact CG2-NE2 3.17Å; Y486-H542 PolarHBondContact N-O 2.74Å; D487-H542 IonicContact OD1-CD2 2.73Å; D487-H542 PolarHBondContact OD1-CD2 3.24Å; D487-H542 IonicContact OD1-NE2 3.75Å; D487-H542 PolarHBondContact OD1-NE2 3.34Å; H542-N556 PolarHBondContact N-OD1 3.36Å; H542-Y558 VanDerWaalsContact CE1-CB 3.47Å; H542-Y558 WeakPolarHBondContact CE1-CB 3.32Å; H542-Y558 AromaticContact CE1-CD2 3.71Å; H542-Y558 AromaticContact CE1-CG 3.61Å; H542-Y558 WeakPolarHBondContact ND1-CB 3.49Å; H542-Y558 AromaticContact ND1-CG 3.77Å; H542-Y558 AromaticContact NE2-CD2 3.98Å; H542-Y558 AromaticContact NE2-CG 3.95Å; H542-T563 HydrophobicContact CB-CG2 3.84Å; H542-W566 AromaticContact CD2-CH2 3.93Å; H542-W566 AromaticContact CD2-CZ3 3.72Å; H542-L569 HydrophobicContact CB-CD1 4.3Å |
| 543 | D | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -149.3 | 162.4 | -179.4 | 64.9 | 81.4 | 0 | 0 | 0 | 110.6 | M482 Y483 P541 G545 N556 A557 Y558 | M482-D543 HydrophobicContact CB-CB 3.81Å; M482-D543 HydrophobicContact CG-CB 4.45Å; Y483-D543 WeakPolarHBondContact O-CB 3.46Å; P541-D543 VanDerWaalsContact C-N 3.32Å; D543-G545 VanDerWaalsContact C-N 3.34Å; D543-G545 WeakPolarHBondContact OD1-CA 3.48Å; D543-G545 PolarHBondContact OD1-N 2.82Å; D543-N556 PolarHBondContact O-N 2.99Å; D543-A557 WeakPolarHBondContact OD1-CB 3.44Å; D543-A557 PolarHBondContact OD1-N 3.02Å; D543-A557 PolarHBondContact OD2-N 3.08Å; D543-Y558 WeakPolarHBondContact OD2-CB 3.34Å; D543-Y558 PolarHBondContact OD2-N 2.99Å | ||
| 544 | I | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -92.9 | 12.2 | 178.9 | 63.9 | 161 | 0 | 0 | 0 | 113.1 | A473 Y483 N484 I511 P551 W552 L555 | A473-I544 HydrophobicContact CB-CD1 3.66Å; Y483-I544 VanDerWaalsContact O-CG1 3.26Å; Y483-I544 WeakPolarHBondContact O-CG1 3.39Å; Y483-I544 PolarHBondContact O-N 3.37Å; N484-I544 HydrophobicContact CB-CD1 4.29Å; N484-I544 HydrophobicContact CB-CG1 4.09Å; N484-I544 WeakPolarHBondContact ND2-CD1 3.44Å; I511-I544 HydrophobicContact CD1-CG2 3.58Å; I544-P551 CarbonylContact O-C 3.59Å; I544-P551 WeakPolarHBondContact O-CA 3.49Å; I544-W552 VanDerWaalsContact CD1-CD1 3.45Å; I544-W552 HydrophobicContact CD1-CD2 4.38Å; I544-W552 HydrophobicContact CD1-CG 4.12Å; I544-W552 PolarHBondContact O-N 2.76Å; I544-L555 HydrophobicContact CB-CD2 4.2Å; I544-L555 HydrophobicContact CG2-CD2 4.39Å |
| 545 | G | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | 122.1 | 179.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y483 D543 R554 | Y483-G545 PolarHBondContact N-O 3.13Å; D543-G545 VanDerWaalsContact C-N 3.34Å; D543-G545 WeakPolarHBondContact OD1-CA 3.48Å; D543-G545 PolarHBondContact OD1-N 2.82Å; G545-R554 WeakPolarHBondContact CA-O 3.4Å | ||
| 546 | D | 95.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | trans | -103.6 | 138.7 | -177.9 | -174.3 | -41.5 | 0 | 0 | 0 | 110.5 | R481 D548 D549 A557 | R481-D546 IonicContact CZ-OD1 2.73Å; R481-D546 IonicContact NH1-OD1 3.68Å; R481-D546 IonicContact NH2-OD1 3.35Å; R481-D546 PolarHBondContact NH2-OD1 3.39Å; R481-D546 IonicContact NH2-OD2 3.47Å; R481-D546 PolarHBondContact NH2-OD2 3.42Å; D546-D548 PolarHBondContact O-N 2.89Å; D546-D548 PolarHBondContact OD1-N 3.23Å; D546-D549 HydrophobicContact CB-CB 4.5Å; D546-D549 PolarHBondContact O-N 2.8Å; D546-A557 HydrophobicContact CB-CB 3.79Å | ||
| 547 | P | 95.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.4 | 174.4 | 23.1 | -34.3 | 0 | 0 | 0 | 115.6 | M124 G365 L475 R481 Y483 D549 | M124-P547 HydrophobicContact SD-CB 4.29Å; M124-P547 HydrophobicContact SD-CG 4.16Å; G365-P547 PolarHBondContact N-O 3.33Å; L475-P547 HydrophobicContact CD2-CG 4.27Å; R481-P547 HydrophobicContact CB-CG 4.1Å; R481-P547 WeakPolarHBondContact O-CD 3.5Å; Y483-P547 HydrophobicContact CE2-CB 3.82Å; Y483-P547 HydrophobicContact CE2-CG 4.35Å; P547-D549 VanDerWaalsContact C-N 3.3Å |
| 548 | D | 94.1 | Very high | 96.3 | Very high | 24 Ų | 24 | 16.8 Ų | 16.8 | 13% | 0.128 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -3.2 | 174.1 | -84.9 | -30.5 | 0 | 0 | 0 | 113.7 | K79 A80 G365 S366 R481 D546 | K79-D548 HydrophobicContact CB-CB 4.4Å; K79-D548 HydrophobicContact CD-CB 4.43Å; K79-D548 PolarHBondContact NZ-O 3.46Å; A80-D548 WeakPolarHBondContact CB-OD2 3.15Å; A80-D548 PolarHBondContact N-OD2 2.7Å; G365-D548 CarbonylContact C-O 3.13Å; G365-D548 VanDerWaalsContact C-O 3.3Å; S366-D548 PolarHBondContact N-O 2.94Å; R481-D548 IonicContact CZ-OD2 3.68Å; R481-D548 IonicContact NH1-OD2 3.35Å; R481-D548 PolarHBondContact NH1-OD2 3.44Å; R481-D548 IonicContact NH2-OD2 2.79Å; D546-D548 PolarHBondContact O-N 2.89Å; D546-D548 PolarHBondContact OD1-N 3.23Å |
| 549 | D | 94.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 15.8 Ų | 15.8 | 14% | 0.144 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -113.3 | -136.6 | 173.9 | -85.5 | -48.4 | 0 | 0 | 0 | 109.7 | K79 F364 S366 D546 P547 R554 | K79-D549 IonicContact NZ-OD1 2.91Å; K79-D549 PolarHBondContact NZ-OD1 3.5Å; F364-D549 WeakPolarHBondContact CB-O 3.4Å; S366-D549 WeakPolarHBondContact CB-O 3.47Å; S366-D549 PolarHBondContact N-O 3.39Å; S366-D549 VanDerWaalsContact N-O 3.16Å; S366-D549 PolarHBondContact OG-O 3.35Å; D546-D549 HydrophobicContact CB-CB 4.5Å; D546-D549 PolarHBondContact O-N 2.8Å; P547-D549 VanDerWaalsContact C-N 3.3Å; D549-R554 IonicContact OD1-NH1 2.87Å; D549-R554 PolarHBondContact OD1-NH1 2.88Å |
| 550 | E | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -130.1 | 91.6 | 179.5 | -173.4 | 64.8 | -126.5 | 0 | 0 | 108.4 | S366 R369 H371 Q553 R554 | S366-E550 PolarHBondContact OG-OE2 2.86Å; R369-E550 PolarHBondContact N-OE2 2.96Å; H371-E550 IonicContact CD2-OE1 3.22Å; H371-E550 IonicContact CE1-OE1 3.24Å; H371-E550 PolarHBondContact CE1-OE1 2.64Å; H371-E550 IonicContact NE2-OE1 3.91Å; H371-E550 PolarHBondContact NE2-OE1 2.79Å; E550-Q553 HydrophobicContact CB-CB 4.44Å; E550-Q553 HydrophobicContact CG-CB 4.01Å; E550-Q553 HydrophobicContact CG-CG 4.15Å; E550-Q553 PolarHBondContact O-N 2.91Å; E550-R554 PolarHBondContact O-N 3.17Å | ||
| 551 | P | 95.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 154.4 | 177.9 | -27.2 | 36.2 | 0 | 0 | 0 | 112.7 | F364 Y483 I544 Q553 | F364-P551 HydrophobicContact CD1-CG 3.8Å; F364-P551 HydrophobicContact CD2-CG 4.34Å; F364-P551 HydrophobicContact CE1-CG 3.76Å; F364-P551 HydrophobicContact CE2-CG 4.31Å; F364-P551 VanDerWaalsContact CG-CD 3.48Å; F364-P551 HydrophobicContact CG-CG 4.09Å; F364-P551 HydrophobicContact CZ-CB 4.44Å; F364-P551 HydrophobicContact CZ-CG 4.03Å; Y483-P551 HydrophobicContact CD2-CB 3.9Å; Y483-P551 HydrophobicContact CD2-CG 3.56Å; Y483-P551 HydrophobicContact CE2-CB 4.33Å; Y483-P551 HydrophobicContact CE2-CG 3.63Å; I544-P551 CarbonylContact O-C 3.59Å; I544-P551 WeakPolarHBondContact O-CA 3.49Å; P551-Q553 PolarHBondContact O-N 3.28Å |
| 552 | W | 94.8 | Very high | 95.7 | Very high | 10 Ų | 10 | 17.2 Ų | 17.2 | 4% | 0.038 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -20.7 | -169.9 | -53.9 | -78 | 0 | 0 | 0 | 116.6 | F364 V438 T440 R471 A473 D510 I544 | F364-W552 HydrophobicContact CE2-CE3 4.49Å; F364-W552 AromaticContact CE2-CZ3 3.87Å; F364-W552 HydrophobicContact CE2-CZ3 3.87Å; F364-W552 HydrophobicContact CZ-CH2 4.44Å; F364-W552 AromaticContact CZ-CZ3 3.91Å; F364-W552 HydrophobicContact CZ-CZ3 3.91Å; V438-W552 HydrophobicContact CG2-CH2 3.98Å; V438-W552 HydrophobicContact CG2-CZ2 4.45Å; T440-W552 HydrophobicContact CG2-CH2 4.31Å; R471-W552 HydrophobicContact CB-CH2 4.23Å; R471-W552 HydrophobicContact CB-CZ2 3.68Å; R471-W552 VanDerWaalsContact NH1-CB 3.28Å; R471-W552 VanDerWaalsContact NH1-CG 3.29Å; R471-W552 VanDerWaalsContact NH2-CB 3.25Å; A473-W552 HydrophobicContact CB-CZ2 3.92Å; D510-W552 PolarHBondContact OD2-NE1 3.47Å; I544-W552 VanDerWaalsContact CD1-CD1 3.45Å; I544-W552 HydrophobicContact CD1-CD2 4.38Å; I544-W552 HydrophobicContact CD1-CG 4.12Å; I544-W552 PolarHBondContact O-N 2.76Å |
| 553 | Q | 93.1 | Very high | 95.5 | Very high | 72 Ų | 72 | 17.1 Ų | 17.1 | 34% | 0.336 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -44.5 | 176 | -69.3 | 174.1 | 62.1 | 0 | 0 | 111.6 | E550 P551 | E550-Q553 HydrophobicContact CB-CB 4.44Å; E550-Q553 HydrophobicContact CG-CB 4.01Å; E550-Q553 HydrophobicContact CG-CG 4.15Å; E550-Q553 PolarHBondContact O-N 2.91Å; P551-Q553 PolarHBondContact O-N 3.28Å |
| 554 | R | 95.1 | Very high | 95.4 | Very high | 107 Ų | 107 | 17.6 Ų | 17.6 | 40% | 0.404 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -101.8 | 81.8 | 178.1 | -65.6 | -179.3 | -177 | -171.7 | 1.5 | 109.4 | E368 G545 D549 E550 | E368-R554 VanDerWaalsContact CD-NH2 3.27Å; E368-R554 IonicContact OE1-CZ 2.74Å; E368-R554 IonicContact OE1-NH1 3.21Å; E368-R554 IonicContact OE1-NH2 3.48Å; E368-R554 PolarHBondContact OE1-NH2 3.49Å; E368-R554 IonicContact OE2-CZ 2.69Å; E368-R554 IonicContact OE2-NH2 3.88Å; E368-R554 PolarHBondContact OE2-NH2 3.08Å; G545-R554 WeakPolarHBondContact CA-O 3.4Å; D549-R554 IonicContact OD1-NH1 2.87Å; D549-R554 PolarHBondContact OD1-NH1 2.88Å; E550-R554 PolarHBondContact O-N 3.17Å |
| 555 | L | 96.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 7% | 0.068 | 10% | 0.1 | C | C | . | . | trans | -71.2 | 164.9 | -179 | -51.3 | 178 | 0 | 0 | 0 | 111.8 | T514 K535 P541 I544 | T514-L555 HydrophobicContact CG2-CD1 3.6Å; T514-L555 HydrophobicContact CG2-CD2 3.72Å; T514-L555 HydrophobicContact CG2-CG 4.31Å; K535-L555 HydrophobicContact CG-CD1 4.44Å; P541-L555 HydrophobicContact CB-CB 4.4Å; I544-L555 HydrophobicContact CB-CD2 4.2Å; I544-L555 HydrophobicContact CG2-CD2 4.39Å | ||
| 556 | N | 96.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 20.3 Ų | 20.3 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | trans | 53 | 59.7 | 176.8 | -67.3 | -29.5 | 0 | 0 | 0 | 111.8 | R523 V534 P541 H542 D543 Y558 | R523-N556 PolarHBondContact NH1-O 3.28Å; V534-N556 PolarHBondContact O-ND2 3.12Å; P541-N556 VanDerWaalsContact CA-OD1 3.24Å; P541-N556 WeakPolarHBondContact CA-OD1 3.18Å; P541-N556 WeakPolarHBondContact CB-OD1 3.49Å; H542-N556 PolarHBondContact N-OD1 3.36Å; D543-N556 PolarHBondContact O-N 2.99Å; N556-Y558 PolarHBondContact O-N 3.43Å | ||
| 557 | A | 96.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 19.9 Ų | 19.9 | 14% | 0.14 | 10% | 0.098 | C | C | . | . | trans | -58.7 | -30.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M482 D543 D546 L559 | M482-A557 HydrophobicContact CG-CB 4.14Å; D543-A557 WeakPolarHBondContact OD1-CB 3.44Å; D543-A557 PolarHBondContact OD1-N 3.02Å; D543-A557 PolarHBondContact OD2-N 3.08Å; D546-A557 HydrophobicContact CB-CB 3.79Å; A557-L559 PolarHBondContact O-N 2.81Å | ||
| 558 | Y | 96.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | trans | -61.6 | 126.7 | 170.8 | -173.2 | -92.2 | 0 | 0 | 0 | 112.4 | F82 M482 R523 H542 D543 N556 I560 H561 T563 W566 D626 | F82-Y558 AromaticContact CE2-CD2 4Å; F82-Y558 HydrophobicContact CE2-CD2 4Å; M482-Y558 HydrophobicContact SD-CD2 3.97Å; M482-Y558 HydrophobicContact SD-CG 4.38Å; R523-Y558 PolarHBondContact NH1-O 3.38Å; R523-Y558 PolarHBondContact NH2-O 3.2Å; R523-Y558 VanDerWaalsContact NH2-O 3.09Å; H542-Y558 VanDerWaalsContact CE1-CB 3.47Å; H542-Y558 WeakPolarHBondContact CE1-CB 3.32Å; H542-Y558 AromaticContact CE1-CD2 3.71Å; H542-Y558 AromaticContact CE1-CG 3.61Å; H542-Y558 WeakPolarHBondContact ND1-CB 3.49Å; H542-Y558 AromaticContact ND1-CG 3.77Å; H542-Y558 AromaticContact NE2-CD2 3.98Å; H542-Y558 AromaticContact NE2-CG 3.95Å; D543-Y558 WeakPolarHBondContact OD2-CB 3.34Å; D543-Y558 PolarHBondContact OD2-N 2.99Å; N556-Y558 PolarHBondContact O-N 3.43Å; Y558-I560 HydrophobicContact CD2-CG1 4.48Å; Y558-I560 HydrophobicContact CE1-CB 4.12Å; Y558-I560 HydrophobicContact CE2-CB 4.02Å; Y558-I560 HydrophobicContact CE2-CG1 3.94Å; Y558-H561 HydrophobicContact CE1-CB 3.95Å; Y558-H561 VanDerWaalsContact CE1-N 3.34Å; Y558-H561 PolarHBondContact OH-CD2 3.22Å; Y558-T563 HydrophobicContact CD1-CG2 3.63Å; Y558-T563 HydrophobicContact CE1-CG2 3.83Å; Y558-W566 HydrophobicContact CE1-CH2 4.38Å; Y558-W566 HydrophobicContact CE1-CZ2 4.02Å; Y558-D626 WeakPolarHBondContact OH-CB 3.48Å; Y558-D626 PolarHBondContact OH-OD2 3.26Å | ||
| 559 | L | 94.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 18.7 Ų | 18.7 | 14% | 0.136 | 9% | 0.092 | C | C | . | . | trans | -140.4 | 14 | -177.2 | 58.7 | 80.5 | 0 | 0 | 0 | 113.7 | W69 F82 H525 L526 A557 | W69-L559 HydrophobicContact CD2-CD1 4.49Å; W69-L559 HydrophobicContact CZ2-CD2 4.37Å; F82-L559 HydrophobicContact CE1-CD1 3.88Å; F82-L559 HydrophobicContact CE1-CD2 4.11Å; F82-L559 HydrophobicContact CE1-CG 3.61Å; F82-L559 HydrophobicContact CZ-CD1 4.12Å; F82-L559 HydrophobicContact CZ-CG 3.94Å; H525-L559 WeakPolarHBondContact CA-O 3.37Å; L526-L559 HydrophobicContact CD1-CD1 3.33Å; L526-L559 HydrophobicContact CD2-CD1 4.13Å; L526-L559 HydrophobicContact CG-CD1 3.41Å; L526-L559 VanDerWaalsContact CG-CD1 3.41Å; L526-L559 PolarHBondContact N-O 2.9Å; A557-L559 PolarHBondContact O-N 2.81Å | ||
| 560 | I | 94.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 17.4 Ų | 17.4 | 4% | 0.036 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -67 | -53.7 | 173.3 | -53.4 | -64.8 | 0 | 0 | 0 | 108.7 | L62 Y66 F82 M85 L526 M527 Y558 | L62-I560 HydrophobicContact CD1-CG2 4.37Å; Y66-I560 HydrophobicContact CD2-CD1 4.27Å; Y66-I560 HydrophobicContact CE2-CD1 4.49Å; F82-I560 HydrophobicContact CE2-CG1 4.19Å; F82-I560 HydrophobicContact CZ-CD1 3.97Å; F82-I560 HydrophobicContact CZ-CG1 3.98Å; M85-I560 HydrophobicContact CE-CD1 4.12Å; L526-I560 HydrophobicContact CB-CD1 4.47Å; L526-I560 HydrophobicContact CD1-CD1 4.03Å; L526-I560 PolarHBondContact N-O 2.96Å; M527-I560 HydrophobicContact CB-CG2 4.27Å; M527-I560 WeakPolarHBondContact CB-O 3.35Å; M527-I560 HydrophobicContact CE-CG2 4.24Å; M527-I560 PolarHBondContact N-O 3.27Å; Y558-I560 HydrophobicContact CD2-CG1 4.48Å; Y558-I560 HydrophobicContact CE1-CB 4.12Å; Y558-I560 HydrophobicContact CE2-CB 4.02Å; Y558-I560 HydrophobicContact CE2-CG1 3.94Å |
| 561 | H | 94.4 | Very high | 96 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -106.7 | 162.2 | 172.2 | -63.9 | -113.8 | 0 | 0 | 0 | 110.9 | H525 M527 Y558 W566 A621 D626 | H525-H561 PolarHBondContact CE1-O 3.13Å; H525-H561 PolarHBondContact ND1-O 2.96Å; M527-H561 WeakPolarHBondContact CE-NE2 3.2Å; Y558-H561 HydrophobicContact CE1-CB 3.95Å; Y558-H561 VanDerWaalsContact CE1-N 3.34Å; Y558-H561 PolarHBondContact OH-CD2 3.22Å; H561-W566 HydrophobicContact CB-CZ2 4.28Å; H561-A621 PolarHBondContact ND1-O 3.32Å; H561-A621 VanDerWaalsContact ND1-O 3.15Å; H561-D626 PolarHBondContact CE1-O 2.82Å; H561-D626 PolarHBondContact NE2-O 3.12Å |
| 562 | D | 94.6 | Very high | 96.2 | Very high | 23 Ų | 23 | 17.3 Ų | 17.3 | 12% | 0.123 | 8% | 0.084 | C | C | . | . | trans | -79.7 | 122.3 | 157.5 | -177.6 | 8.9 | 0 | 0 | 0 | 107.8 | H525 A564 W566 | H525-D562 VanDerWaalsContact CE1-CA 3.43Å; H525-D562 WeakPolarHBondContact CE1-CA 3.29Å; H525-D562 WeakPolarHBondContact ND1-CA 3.47Å; H525-D562 PolarHBondContact ND1-N 3.02Å; D562-A564 VanDerWaalsContact OD1-CB 3.3Å; D562-A564 WeakPolarHBondContact OD1-CB 3.4Å; D562-A564 PolarHBondContact OD1-N 2.97Å; D562-W566 PolarHBondContact O-NE1 3Å | ||
| 563 | T | 95.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | trans | -95.7 | -5.2 | -176.3 | 58 | 0 | 0 | 0 | 0 | 112 | H542 Y558 D565 W566 | H542-T563 HydrophobicContact CB-CG2 3.84Å; Y558-T563 HydrophobicContact CD1-CG2 3.63Å; Y558-T563 HydrophobicContact CE1-CG2 3.83Å; T563-D565 PolarHBondContact O-N 3.26Å; T563-W566 HydrophobicContact CG2-CD2 4.01Å; T563-W566 HydrophobicContact CG2-CE3 4.48Å; T563-W566 HydrophobicContact CG2-CG 4.41Å; T563-W566 HydrophobicContact CG2-CH2 4.42Å; T563-W566 HydrophobicContact CG2-CZ2 3.98Å; T563-W566 WeakPolarHBondContact O-CB 3.41Å; T563-W566 PolarHBondContact O-N 2.72Å; T563-W566 VanDerWaalsContact O-N 3.13Å | ||
| 564 | A | 94.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 13.4 Ų | 13.4 | 8% | 0.083 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T536 D562 | T536-A564 WeakPolarHBondContact OG1-CB 3.5Å; D562-A564 VanDerWaalsContact OD1-CB 3.3Å; D562-A564 WeakPolarHBondContact OD1-CB 3.4Å; D562-A564 PolarHBondContact OD1-N 2.97Å |
| 565 | D | 94 | Very high | 96.8 | Very high | 55 Ų | 55 | 8.3 Ų | 8.3 | 29% | 0.294 | 5% | 0.047 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 10.7 | 178.2 | -76.7 | -18.9 | 0 | 0 | 0 | 113.7 | T563 K567 K606 F607 Y620 | T563-D565 PolarHBondContact O-N 3.26Å; D565-K567 PolarHBondContact O-NZ 2.83Å; D565-K606 IonicContact OD1-NZ 3.94Å; D565-K606 PolarHBondContact OD1-NZ 3.34Å; D565-F607 HydrophobicContact CB-CE1 4.32Å; D565-F607 HydrophobicContact CB-CZ 4.17Å; D565-Y620 WeakPolarHBondContact CB-OH 3.27Å |
| 566 | W | 97.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 7.7 Ų | 7.7 | 1% | 0.011 | 4% | 0.044 | C | C | . | . | trans | -68.7 | 134 | 175.5 | -80.8 | 24.2 | 0 | 0 | 0 | 111.2 | H542 Y558 H561 D562 T563 L569 D622 D626 | H542-W566 AromaticContact CD2-CH2 3.93Å; H542-W566 AromaticContact CD2-CZ3 3.72Å; Y558-W566 HydrophobicContact CE1-CH2 4.38Å; Y558-W566 HydrophobicContact CE1-CZ2 4.02Å; H561-W566 HydrophobicContact CB-CZ2 4.28Å; D562-W566 PolarHBondContact O-NE1 3Å; T563-W566 HydrophobicContact CG2-CD2 4.01Å; T563-W566 HydrophobicContact CG2-CE3 4.48Å; T563-W566 HydrophobicContact CG2-CG 4.41Å; T563-W566 HydrophobicContact CG2-CH2 4.42Å; T563-W566 HydrophobicContact CG2-CZ2 3.98Å; T563-W566 WeakPolarHBondContact O-CB 3.41Å; T563-W566 PolarHBondContact O-N 2.72Å; T563-W566 VanDerWaalsContact O-N 3.13Å; W566-L569 HydrophobicContact CB-CD1 4.05Å; W566-L569 HydrophobicContact CB-CG 4.37Å; W566-L569 HydrophobicContact CE3-CD1 4.11Å; W566-L569 HydrophobicContact CE3-CG 4.21Å; W566-D622 CarbonylContact C-O 3.6Å; W566-D622 WeakPolarHBondContact CA-O 3.42Å; W566-D626 HydrophobicContact CH2-CB 3.86Å; W566-D626 HydrophobicContact CZ2-CB 3.87Å | ||
| 567 | K | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -82 | -13.4 | -171.9 | -54.6 | -55.9 | -177.7 | -70.3 | 0 | 113.7 | D565 L571 F607 I615 E616 N617 S618 D622 C637 | D565-K567 PolarHBondContact O-NZ 2.83Å; K567-L571 WeakPolarHBondContact O-CD1 3.3Å; K567-L571 VanDerWaalsContact O-CG 3.28Å; K567-L571 WeakPolarHBondContact O-CG 3.3Å; K567-F607 HydrophobicContact CD-CB 4.15Å; K567-F607 HydrophobicContact CD-CD1 3.99Å; K567-F607 HydrophobicContact CD-CD2 3.43Å; K567-F607 VanDerWaalsContact CD-CD2 3.43Å; K567-F607 HydrophobicContact CD-CE1 4.11Å; K567-F607 HydrophobicContact CD-CE2 3.6Å; K567-F607 HydrophobicContact CD-CG 3.62Å; K567-F607 HydrophobicContact CD-CZ 3.92Å; K567-I615 HydrophobicContact CB-CD1 4.18Å; K567-E616 WeakPolarHBondContact CE-O 3.49Å; K567-N617 WeakPolarHBondContact CG-ND2 3.44Å; K567-S618 PolarHBondContact NZ-OG 3.23Å; K567-S618 VanDerWaalsContact NZ-OG 3.08Å; K567-D622 PolarHBondContact N-O 3.44Å; K567-D622 IonicContact NZ-OD2 2.74Å; K567-D622 PolarHBondContact NZ-OD2 3.36Å; K567-C637 HydrophobicContact CB-CB 3.95Å |
| 568 | D | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -103.8 | -30.5 | -172.4 | 67.4 | -21.9 | 0 | 0 | 0 | 114.3 | N570 L571 K572 Q623 T624 Y636 M640 | D568-N570 PolarHBondContact O-N 2.78Å; D568-L571 PolarHBondContact O-N 2.95Å; D568-K572 HydrophobicContact CB-CD 4.19Å; D568-K572 VanDerWaalsContact O-CB 3.28Å; D568-K572 WeakPolarHBondContact O-CB 3.42Å; D568-K572 WeakPolarHBondContact O-CG 3.49Å; D568-K572 PolarHBondContact O-N 3.26Å; D568-K572 WeakPolarHBondContact OD2-CE 3.35Å; D568-K572 IonicContact OD2-NZ 2.83Å; D568-K572 PolarHBondContact OD2-NZ 2.84Å; D568-Q623 HydrophobicContact CB-CB 4.16Å; D568-Q623 WeakPolarHBondContact OD1-CA 3.25Å; D568-T624 WeakPolarHBondContact OD2-CB 3.26Å; D568-T624 PolarHBondContact OD2-N 2.84Å; D568-Y636 HydrophobicContact CB-CE1 4.27Å; D568-Y636 PolarHBondContact OD2-OH 3.32Å; D568-M640 HydrophobicContact CB-CE 3.5Å; D568-M640 HydrophobicContact CB-SD 4.31Å |
| 569 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -56.8 | -52.1 | -174.4 | -74.7 | 170.3 | 0 | 0 | 0 | 113.3 | Y486 D487 V540 H542 W566 L571 K572 F573 | Y486-L569 HydrophobicContact CD1-CD2 4.49Å; D487-L569 HydrophobicContact CB-CD2 3.74Å; V540-L569 HydrophobicContact CB-CB 4.22Å; V540-L569 HydrophobicContact CG1-CB 4.39Å; H542-L569 HydrophobicContact CB-CD1 4.3Å; W566-L569 HydrophobicContact CB-CD1 4.05Å; W566-L569 HydrophobicContact CB-CG 4.37Å; W566-L569 HydrophobicContact CE3-CD1 4.11Å; W566-L569 HydrophobicContact CE3-CG 4.21Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.04Å; L569-K572 PolarHBondContact O-N 2.96Å; L569-F573 PolarHBondContact O-N 3.3Å |
| 570 | N | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 179.3 | -81 | -13.3 | 0 | 0 | 0 | 112.2 | V540 D568 F573 V574 V600 S603 E604 | V540-N570 VanDerWaalsContact CG2-OD1 3.31Å; V540-N570 WeakPolarHBondContact CG2-OD1 3.5Å; V540-N570 PolarHBondContact N-OD1 2.84Å; D568-N570 PolarHBondContact O-N 2.78Å; N570-F573 WeakPolarHBondContact O-CB 3.46Å; N570-F573 PolarHBondContact O-N 2.82Å; N570-V574 WeakPolarHBondContact O-CG2 3.48Å; N570-V574 PolarHBondContact O-N 2.58Å; N570-V600 HydrophobicContact CB-CB 3.92Å; N570-V600 HydrophobicContact CB-CG2 4.44Å; N570-S603 PolarHBondContact ND2-OG 3.32Å; N570-E604 HydrophobicContact CB-CG 3.76Å; N570-E604 VanDerWaalsContact CB-OE1 3.31Å; N570-E604 WeakPolarHBondContact CB-OE1 3.24Å; N570-E604 PolarHBondContact ND2-OE1 2.91Å |
| 571 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -67.9 | -43.8 | 179.4 | -53.6 | -176.1 | 0 | 0 | 0 | 111.2 | K567 D568 L569 F573 V574 L575 M601 E604 I615 M640 W641 S644 | K567-L571 WeakPolarHBondContact O-CD1 3.3Å; K567-L571 VanDerWaalsContact O-CG 3.28Å; K567-L571 WeakPolarHBondContact O-CG 3.3Å; D568-L571 PolarHBondContact O-N 2.95Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.04Å; L571-F573 PolarHBondContact O-N 3.29Å; L571-V574 PolarHBondContact O-N 3.18Å; L571-L575 WeakPolarHBondContact O-CB 3.37Å; L571-L575 VanDerWaalsContact O-CG 3.25Å; L571-L575 WeakPolarHBondContact O-CG 3.16Å; L571-L575 PolarHBondContact O-N 2.89Å; L571-M601 HydrophobicContact CD2-SD 4.15Å; L571-E604 HydrophobicContact CD2-CG 4Å; L571-I615 HydrophobicContact CD1-CD1 3.86Å; L571-M640 HydrophobicContact CB-CB 4.21Å; L571-M640 HydrophobicContact CD1-CB 3.98Å; L571-W641 HydrophobicContact CD1-CB 3.95Å; L571-W641 HydrophobicContact CD2-CE3 3.69Å; L571-W641 HydrophobicContact CD2-CZ3 4.29Å; L571-S644 WeakPolarHBondContact CA-OG 3.47Å; L571-S644 WeakPolarHBondContact CB-OG 3.44Å; L571-S644 PolarHBondContact O-OG 3.38Å |
| 572 | K | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.3 | -33.7 | 174.3 | -73.4 | 174.3 | 169.1 | 175.1 | 0 | 112 | D487 F490 D568 L569 Q576 Y636 M640 | D487-K572 HydrophobicContact CB-CD 4.15Å; D487-K572 PolarHBondContact O-NZ 3.1Å; F490-K572 HydrophobicContact CB-CB 4.3Å; F490-K572 HydrophobicContact CB-CD 3.78Å; F490-K572 HydrophobicContact CB-CG 4.07Å; F490-K572 HydrophobicContact CD1-CD 4.4Å; F490-K572 HydrophobicContact CD1-CG 4.41Å; F490-K572 HydrophobicContact CD2-CB 3.75Å; F490-K572 HydrophobicContact CD2-CD 4.17Å; F490-K572 HydrophobicContact CD2-CG 3.52Å; F490-K572 HydrophobicContact CE2-CB 4.38Å; F490-K572 HydrophobicContact CE2-CG 3.94Å; F490-K572 HydrophobicContact CG-CB 4.25Å; F490-K572 HydrophobicContact CG-CD 3.88Å; F490-K572 HydrophobicContact CG-CG 3.75Å; D568-K572 HydrophobicContact CB-CD 4.19Å; D568-K572 VanDerWaalsContact O-CB 3.28Å; D568-K572 WeakPolarHBondContact O-CB 3.42Å; D568-K572 WeakPolarHBondContact O-CG 3.49Å; D568-K572 PolarHBondContact O-N 3.26Å; D568-K572 WeakPolarHBondContact OD2-CE 3.35Å; D568-K572 IonicContact OD2-NZ 2.83Å; D568-K572 PolarHBondContact OD2-NZ 2.84Å; L569-K572 PolarHBondContact O-N 2.96Å; K572-Q576 VanDerWaalsContact O-CB 3.28Å; K572-Q576 WeakPolarHBondContact O-CB 3.32Å; K572-Q576 VanDerWaalsContact O-CG 3.24Å; K572-Q576 WeakPolarHBondContact O-CG 3.49Å; K572-Q576 PolarHBondContact O-N 3.48Å; K572-Q576 PolarHBondContact O-NE2 3.25Å; K572-Q576 VanDerWaalsContact O-NE2 3.13Å; K572-Y636 WeakPolarHBondContact CE-OH 3.27Å; K572-Y636 PolarHBondContact NZ-OH 3.37Å; K572-M640 HydrophobicContact CG-SD 4Å |
| 573 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.8 | -52.7 | 174.4 | 175.2 | -94.2 | 0 | 0 | 0 | 111.4 | Y486 I511 A512 V540 L569 N570 L571 L575 Q576 V577 M593 I596 V600 | Y486-F573 HydrophobicContact CE1-CB 3.69Å; Y486-F573 HydrophobicContact CE1-CD2 4.23Å; Y486-F573 HydrophobicContact CE1-CG 4.49Å; Y486-F573 AromaticContact CZ-CD2 3.89Å; Y486-F573 WeakPolarHBondContact OH-CA 3.31Å; Y486-F573 VanDerWaalsContact OH-CD2 3.29Å; Y486-F573 WeakPolarHBondContact OH-CD2 3.32Å; I511-F573 HydrophobicContact CG2-CD2 3.78Å; I511-F573 HydrophobicContact CG2-CE2 4Å; A512-F573 HydrophobicContact CB-CE2 3.96Å; A512-F573 HydrophobicContact CB-CZ 3.76Å; V540-F573 HydrophobicContact CG2-CB 3.56Å; V540-F573 HydrophobicContact CG2-CD1 4.45Å; V540-F573 HydrophobicContact CG2-CD2 4.17Å; V540-F573 HydrophobicContact CG2-CG 3.82Å; L569-F573 PolarHBondContact O-N 3.3Å; N570-F573 WeakPolarHBondContact O-CB 3.46Å; N570-F573 PolarHBondContact O-N 2.82Å; L571-F573 PolarHBondContact O-N 3.29Å; F573-L575 VanDerWaalsContact C-N 3.31Å; F573-L575 PolarHBondContact O-N 2.93Å; F573-Q576 PolarHBondContact O-N 2.76Å; F573-V577 HydrophobicContact CD1-CG2 4.21Å; F573-V577 HydrophobicContact CD2-CG2 4.42Å; F573-V577 HydrophobicContact CE1-CG2 3.83Å; F573-V577 HydrophobicContact CE2-CG2 4.04Å; F573-V577 HydrophobicContact CG-CG2 4.49Å; F573-V577 HydrophobicContact CZ-CG2 3.72Å; F573-V577 WeakPolarHBondContact O-CG2 3.14Å; F573-V577 PolarHBondContact O-N 3.11Å; F573-M593 HydrophobicContact CZ-SD 4.06Å; F573-I596 HydrophobicContact CE1-CB 4.29Å; F573-I596 HydrophobicContact CE1-CG2 3.75Å; F573-I596 HydrophobicContact CZ-CB 4.37Å; F573-I596 HydrophobicContact CZ-CG2 3.76Å; F573-V600 HydrophobicContact CD1-CG2 4.14Å |
| 574 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 179.8 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | N570 L571 Y578 C597 V600 M601 V647 M648 M651 | N570-V574 WeakPolarHBondContact O-CG2 3.48Å; N570-V574 PolarHBondContact O-N 2.58Å; L571-V574 PolarHBondContact O-N 3.18Å; V574-Y578 PolarHBondContact O-N 3.01Å; V574-C597 HydrophobicContact CG2-CB 4.17Å; V574-V600 HydrophobicContact CG2-CG2 3.48Å; V574-V600 VanDerWaalsContact CG2-CG2 3.48Å; V574-M601 HydrophobicContact CG1-SD 4.39Å; V574-M601 HydrophobicContact CG2-CG 3.91Å; V574-M601 HydrophobicContact CG2-SD 3.96Å; V574-V647 HydrophobicContact CG1-CG2 3.55Å; V574-M648 HydrophobicContact CG1-CG 3.91Å; V574-M648 HydrophobicContact CG1-SD 3.68Å; V574-M651 HydrophobicContact CG1-CE 4.05Å |
| 575 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -49.9 | 176.7 | -71.9 | 174 | 0 | 0 | 0 | 111.8 | F490 L571 F573 Y578 R579 M640 A643 V647 F708 | F490-L575 HydrophobicContact CE2-CB 4.34Å; F490-L575 HydrophobicContact CE2-CD1 4.12Å; L571-L575 WeakPolarHBondContact O-CB 3.37Å; L571-L575 VanDerWaalsContact O-CG 3.25Å; L571-L575 WeakPolarHBondContact O-CG 3.16Å; L571-L575 PolarHBondContact O-N 2.89Å; F573-L575 VanDerWaalsContact C-N 3.31Å; F573-L575 PolarHBondContact O-N 2.93Å; L575-Y578 PolarHBondContact O-N 3.48Å; L575-R579 PolarHBondContact O-N 3.47Å; L575-M640 HydrophobicContact CD1-CB 4.4Å; L575-M640 HydrophobicContact CD1-CG 4.32Å; L575-A643 HydrophobicContact CD1-CB 4.39Å; L575-A643 HydrophobicContact CD2-CB 3.76Å; L575-V647 HydrophobicContact CD2-CG1 4.12Å; L575-V647 HydrophobicContact CD2-CG2 4.15Å; L575-F708 VanDerWaalsContact C-CE1 3.41Å; L575-F708 HydrophobicContact CB-CD1 3.6Å; L575-F708 HydrophobicContact CB-CE1 3.84Å; L575-F708 HydrophobicContact CB-CG 4.24Å; L575-F708 HydrophobicContact CD1-CB 4.36Å; L575-F708 HydrophobicContact CD2-CD1 4.41Å; L575-F708 HydrophobicContact CG-CD1 4.43Å; L575-F708 VanDerWaalsContact O-CE1 3.29Å; L575-F708 WeakPolarHBondContact O-CE1 3.44Å |
| 576 | Q | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 179.3 | -76.7 | 177.9 | 103 | 0 | 0 | 112.2 | Y486 H489 F490 S493 Q508 K572 F573 Y578 R579 D580 F708 | Y486-Q576 PolarHBondContact OH-NE2 3.45Å; H489-Q576 PolarHBondContact CD2-OE1 2.7Å; H489-Q576 VanDerWaalsContact CD2-OE1 3.27Å; F490-Q576 HydrophobicContact CD2-CG 4.11Å; S493-Q576 PolarHBondContact OG-OE1 2.82Å; Q508-Q576 VanDerWaalsContact NE2-CB 3.34Å; K572-Q576 VanDerWaalsContact O-CB 3.28Å; K572-Q576 WeakPolarHBondContact O-CB 3.32Å; K572-Q576 VanDerWaalsContact O-CG 3.24Å; K572-Q576 WeakPolarHBondContact O-CG 3.49Å; K572-Q576 PolarHBondContact O-N 3.48Å; K572-Q576 PolarHBondContact O-NE2 3.25Å; K572-Q576 VanDerWaalsContact O-NE2 3.13Å; F573-Q576 PolarHBondContact O-N 2.76Å; Q576-Y578 VanDerWaalsContact C-N 3.3Å; Q576-Y578 PolarHBondContact O-N 3.45Å; Q576-R579 PolarHBondContact O-N 3.27Å; Q576-D580 WeakPolarHBondContact O-CB 3.31Å; Q576-D580 PolarHBondContact O-N 3.46Å; Q576-F708 HydrophobicContact CB-CZ 4.47Å; Q576-F708 HydrophobicContact CG-CE1 4.24Å; Q576-F708 HydrophobicContact CG-CE2 4.48Å; Q576-F708 HydrophobicContact CG-CZ 3.63Å |
| 577 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -53.4 | -49.6 | 175.3 | 165.4 | 0 | 0 | 0 | 0 | 110.8 | F573 D580 F581 Y589 M593 M651 | F573-V577 HydrophobicContact CD1-CG2 4.21Å; F573-V577 HydrophobicContact CD2-CG2 4.42Å; F573-V577 HydrophobicContact CE1-CG2 3.83Å; F573-V577 HydrophobicContact CE2-CG2 4.04Å; F573-V577 HydrophobicContact CG-CG2 4.49Å; F573-V577 HydrophobicContact CZ-CG2 3.72Å; F573-V577 WeakPolarHBondContact O-CG2 3.14Å; F573-V577 PolarHBondContact O-N 3.11Å; V577-D580 PolarHBondContact O-N 3.14Å; V577-F581 WeakPolarHBondContact O-CB 3.31Å; V577-F581 PolarHBondContact O-N 3.41Å; V577-Y589 HydrophobicContact CG1-CE1 4.14Å; V577-M593 HydrophobicContact CG1-CB 3.5Å; V577-M593 VanDerWaalsContact CG1-CB 3.5Å; V577-M593 HydrophobicContact CG1-CG 4.01Å; V577-M593 HydrophobicContact CG2-CB 4.17Å; V577-M593 HydrophobicContact CG2-CG 4.2Å; V577-M593 HydrophobicContact CG2-SD 4.25Å; V577-M651 HydrophobicContact CG1-SD 4.35Å |
| 578 | Y | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | -178.6 | -179 | -101.1 | 0 | 0 | 0 | 112.6 | V574 L575 Q576 D580 F581 H582 V647 K650 M651 L654 L714 | V574-Y578 PolarHBondContact O-N 3.01Å; L575-Y578 PolarHBondContact O-N 3.48Å; Q576-Y578 VanDerWaalsContact C-N 3.3Å; Q576-Y578 PolarHBondContact O-N 3.45Å; Y578-D580 VanDerWaalsContact C-N 3.34Å; Y578-D580 PolarHBondContact O-N 3.4Å; Y578-F581 HydrophobicContact CD2-CD1 4.16Å; Y578-F581 HydrophobicContact CE2-CD1 4.05Å; Y578-F581 HydrophobicContact CE2-CE1 4.33Å; Y578-F581 PolarHBondContact O-N 2.93Å; Y578-H582 WeakPolarHBondContact O-CB 3.47Å; Y578-H582 PolarHBondContact O-N 2.7Å; Y578-V647 HydrophobicContact CD1-CB 3.85Å; Y578-V647 HydrophobicContact CD1-CG1 3.44Å; Y578-V647 VanDerWaalsContact CD1-CG1 3.44Å; Y578-V647 HydrophobicContact CD2-CB 4.44Å; Y578-V647 HydrophobicContact CE1-CG1 4.19Å; Y578-V647 HydrophobicContact CG-CB 3.73Å; Y578-V647 HydrophobicContact CG-CG1 3.86Å; Y578-K650 HydrophobicContact CE2-CB 4.18Å; Y578-K650 HydrophobicContact CE2-CG 3.58Å; Y578-K650 VanDerWaalsContact OH-CG 3.31Å; Y578-K650 WeakPolarHBondContact OH-CG 3.12Å; Y578-M651 HydrophobicContact CD2-CG 3.49Å; Y578-M651 VanDerWaalsContact CD2-CG 3.49Å; Y578-M651 HydrophobicContact CD2-SD 4.13Å; Y578-M651 HydrophobicContact CE2-CG 4.23Å; Y578-M651 HydrophobicContact CG-CG 4.33Å; Y578-L654 HydrophobicContact CE2-CD1 4.04Å; Y578-L714 HydrophobicContact CD1-CD1 4.33Å; Y578-L714 HydrophobicContact CE1-CD1 3.78Å; Y578-L714 HydrophobicContact CE1-CD2 4.22Å; Y578-L714 HydrophobicContact CE1-CG 3.82Å |
| 579 | R | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 174 | -176.9 | -159.7 | 64 | -164.5 | -5.8 | 111.2 | S493 L575 Q576 H582 L583 F708 S712 | S493-R579 VanDerWaalsContact OG-CZ 3.3Å; S493-R579 PolarHBondContact OG-NH1 2.81Å; S493-R579 PolarHBondContact OG-NH2 2.94Å; L575-R579 PolarHBondContact O-N 3.47Å; Q576-R579 PolarHBondContact O-N 3.27Å; R579-H582 WeakPolarHBondContact O-CB 3.44Å; R579-H582 PolarHBondContact O-N 2.97Å; R579-H582 VanDerWaalsContact O-N 3.09Å; R579-L583 HydrophobicContact CG-CD1 4Å; R579-L583 HydrophobicContact CG-CG 4.45Å; R579-L583 WeakPolarHBondContact O-CG 3.32Å; R579-L583 PolarHBondContact O-N 2.88Å; R579-F708 HydrophobicContact CB-CD1 4.39Å; R579-F708 HydrophobicContact CB-CE1 3.59Å; R579-F708 HydrophobicContact CB-CZ 4.26Å; R579-F708 HydrophobicContact CG-CE1 4.19Å; R579-S712 WeakPolarHBondContact CA-OG 3.48Å; R579-S712 WeakPolarHBondContact CB-OG 3.04Å |
| 580 | D | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | -176 | -64.8 | -8.1 | 0 | 0 | 0 | 110.5 | I497 L505 Q508 Q576 V577 Y578 L583 T584 Y589 | I497-D580 HydrophobicContact CD1-CB 3.75Å; I497-D580 HydrophobicContact CG1-CB 4.26Å; I497-D580 WeakPolarHBondContact CG1-OD1 3.42Å; L505-D580 HydrophobicContact CD2-CB 3.87Å; Q508-D580 WeakPolarHBondContact CG-OD2 3.46Å; Q576-D580 WeakPolarHBondContact O-CB 3.31Å; Q576-D580 PolarHBondContact O-N 3.46Å; V577-D580 PolarHBondContact O-N 3.14Å; Y578-D580 VanDerWaalsContact C-N 3.34Å; Y578-D580 PolarHBondContact O-N 3.4Å; D580-L583 PolarHBondContact O-N 3.2Å; D580-T584 WeakPolarHBondContact O-CB 3.29Å; D580-T584 VanDerWaalsContact O-CG2 3.29Å; D580-T584 WeakPolarHBondContact O-CG2 3.41Å; D580-T584 PolarHBondContact O-N 3.23Å; D580-T584 PolarHBondContact O-OG1 3.33Å; D580-Y589 HydrophobicContact CB-CE1 4.18Å |
| 581 | F | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 30 Ų | 30 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 167.3 | 163.1 | -102.5 | 0 | 0 | 0 | 111.7 | V577 Y578 L583 T584 Q585 D586 Y589 L590 L654 | V577-F581 WeakPolarHBondContact O-CB 3.31Å; V577-F581 PolarHBondContact O-N 3.41Å; Y578-F581 HydrophobicContact CD2-CD1 4.16Å; Y578-F581 HydrophobicContact CE2-CD1 4.05Å; Y578-F581 HydrophobicContact CE2-CE1 4.33Å; Y578-F581 PolarHBondContact O-N 2.93Å; F581-L583 VanDerWaalsContact C-N 3.29Å; F581-L583 PolarHBondContact O-N 2.98Å; F581-T584 PolarHBondContact O-N 2.91Å; F581-Q585 VanDerWaalsContact O-CA 3.22Å; F581-Q585 WeakPolarHBondContact O-CA 3.32Å; F581-Q585 PolarHBondContact O-N 3.03Å; F581-D586 WeakPolarHBondContact CD2-O 3.41Å; F581-Y589 HydrophobicContact CB-CD1 4.29Å; F581-Y589 HydrophobicContact CB-CE1 4.48Å; F581-L590 HydrophobicContact CB-CB 4.46Å; F581-L590 HydrophobicContact CD1-CD2 4.12Å; F581-L590 HydrophobicContact CD2-CB 3.63Å; F581-L590 HydrophobicContact CD2-CD2 3.99Å; F581-L590 HydrophobicContact CD2-CG 4.3Å; F581-L590 HydrophobicContact CE1-CD2 3.98Å; F581-L590 HydrophobicContact CE2-CB 4.08Å; F581-L590 HydrophobicContact CE2-CD2 3.81Å; F581-L590 HydrophobicContact CG-CB 4.04Å; F581-L590 HydrophobicContact CG-CD1 4.3Å; F581-L590 HydrophobicContact CG-CD2 4.12Å; F581-L590 HydrophobicContact CG-CG 4.38Å; F581-L590 HydrophobicContact CZ-CD2 3.81Å; F581-L654 HydrophobicContact CD1-CD1 4.32Å; F581-L654 HydrophobicContact CE1-CD1 3.49Å; F581-L654 VanDerWaalsContact CE1-CD1 3.49Å; F581-L654 HydrophobicContact CZ-CD1 4.02Å |
| 582 | H | 97.4 | Very high | 98 | Very high | 55 Ų | 55 | 30.7 Ų | 30.7 | 26% | 0.255 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.9 | -38.1 | -178.6 | 175.7 | 74.4 | 0 | 0 | 0 | 112.3 | Y578 R579 Q585 S712 | Y578-H582 WeakPolarHBondContact O-CB 3.47Å; Y578-H582 PolarHBondContact O-N 2.7Å; R579-H582 WeakPolarHBondContact O-CB 3.44Å; R579-H582 PolarHBondContact O-N 2.97Å; R579-H582 VanDerWaalsContact O-N 3.09Å; H582-Q585 PolarHBondContact O-NE2 3.27Å; H582-S712 VanDerWaalsContact CD2-C 3.49Å; H582-S712 PolarHBondContact CD2-O 2.91Å; H582-S712 PolarHBondContact ND1-O 3.25Å |
| 583 | L | 97.3 | Very high | 97.9 | Very high | 61 Ų | 61 | 30.7 Ų | 30.7 | 32% | 0.319 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -79.5 | -30.9 | -179.8 | -66.3 | 176.1 | 0 | 0 | 0 | 113 | I497 R579 D580 F581 L837 | I497-L583 HydrophobicContact CB-CD1 4.5Å; I497-L583 HydrophobicContact CG1-CB 4.28Å; I497-L583 HydrophobicContact CG1-CD1 3.91Å; I497-L583 HydrophobicContact CG2-CD1 3.72Å; R579-L583 HydrophobicContact CG-CD1 4Å; R579-L583 HydrophobicContact CG-CG 4.45Å; R579-L583 WeakPolarHBondContact O-CG 3.32Å; R579-L583 PolarHBondContact O-N 2.88Å; D580-L583 PolarHBondContact O-N 3.2Å; F581-L583 VanDerWaalsContact C-N 3.29Å; F581-L583 PolarHBondContact O-N 2.98Å; L583-L837 HydrophobicContact CD2-CD1 4.06Å |
| 584 | T | 97.9 | Very high | 97.9 | Very high | 44 Ų | 44 | 32 Ų | 32 | 27% | 0.27 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -99.8 | -19.7 | -175.2 | 61.8 | 0 | 0 | 0 | 0 | 114 | I497 P501 L505 D580 F581 D586 | I497-T584 HydrophobicContact CD1-CG2 3.8Å; P501-T584 HydrophobicContact CB-CG2 4.04Å; L505-T584 HydrophobicContact CD1-CG2 4.22Å; D580-T584 WeakPolarHBondContact O-CB 3.29Å; D580-T584 VanDerWaalsContact O-CG2 3.29Å; D580-T584 WeakPolarHBondContact O-CG2 3.41Å; D580-T584 PolarHBondContact O-N 3.23Å; D580-T584 PolarHBondContact O-OG1 3.33Å; F581-T584 PolarHBondContact O-N 2.91Å; T584-D586 PolarHBondContact O-N 2.85Å; T584-D586 PolarHBondContact OG1-N 2.82Å |
| 585 | Q | 97.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 33.5 Ų | 33.5 | 54% | 0.542 | 17% | 0.166 | S | C | . | . | trans | 55.4 | 23.7 | -171.7 | -59.3 | -67 | -53.5 | 0 | 0 | 113.5 | F581 H582 S587 | F581-Q585 VanDerWaalsContact O-CA 3.22Å; F581-Q585 WeakPolarHBondContact O-CA 3.32Å; F581-Q585 PolarHBondContact O-N 3.03Å; H582-Q585 PolarHBondContact O-NE2 3.27Å; Q585-S587 PolarHBondContact O-N 2.91Å | ||
| 586 | D | 97.6 | Very high | 97.8 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 23% | 0.225 | 17% | 0.166 | C | C | . | . | trans | -76.5 | 96 | -179 | -168.4 | -29.2 | 0 | 0 | 0 | 111.1 | F581 T584 Q588 Y589 L590 | F581-D586 WeakPolarHBondContact CD2-O 3.41Å; T584-D586 PolarHBondContact O-N 2.85Å; T584-D586 PolarHBondContact OG1-N 2.82Å; D586-Q588 VanDerWaalsContact C-N 3.28Å; D586-Q588 PolarHBondContact O-N 3.13Å; D586-Q588 PolarHBondContact OD1-N 3.48Å; D586-Y589 WeakPolarHBondContact O-CB 3.04Å; D586-Y589 PolarHBondContact O-N 2.78Å; D586-Y589 PolarHBondContact OD1-N 3.42Å; D586-L590 PolarHBondContact O-N 3.5Å; D586-L590 VanDerWaalsContact O-N 3.12Å | ||
| 587 | S | 96.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 33.6 Ų | 33.6 | 43% | 0.434 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.6 | -25.3 | -178.5 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | Q585 R591 | Q585-S587 PolarHBondContact O-N 2.91Å; S587-R591 WeakPolarHBondContact O-CG 3.44Å; S587-R591 PolarHBondContact O-N 2.79Å; S587-R591 PolarHBondContact O-NH1 3.35Å |
| 588 | Q | 96 | Very high | 97.8 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 42% | 0.416 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -73 | -44.8 | 175.9 | -176.5 | 59.3 | 40.1 | 0 | 0 | 109.9 | D586 L590 R591 D592 | D586-Q588 VanDerWaalsContact C-N 3.28Å; D586-Q588 PolarHBondContact O-N 3.13Å; D586-Q588 PolarHBondContact OD1-N 3.48Å; Q588-L590 VanDerWaalsContact C-N 3.3Å; Q588-L590 PolarHBondContact O-N 2.94Å; Q588-R591 PolarHBondContact O-N 3.47Å; Q588-R591 VanDerWaalsContact O-N 3.11Å; Q588-D592 PolarHBondContact NE2-OD1 3.26Å; Q588-D592 VanDerWaalsContact O-CG 3.31Å; Q588-D592 PolarHBondContact O-N 2.73Å |
| 589 | Y | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.6 | -47.5 | 172.9 | 172.1 | -100.2 | 0 | 0 | 0 | 111.7 | L505 Q508 Y509 V577 D580 F581 D586 R591 D592 M593 | L505-Y589 HydrophobicContact CD2-CD1 4.1Å; L505-Y589 HydrophobicContact CD2-CD2 3.89Å; L505-Y589 HydrophobicContact CD2-CE1 3.92Å; L505-Y589 HydrophobicContact CD2-CE2 3.69Å; L505-Y589 HydrophobicContact CD2-CG 4.08Å; Q508-Y589 HydrophobicContact CB-CE2 3.94Å; Q508-Y589 VanDerWaalsContact CB-OH 3.27Å; Q508-Y589 WeakPolarHBondContact CB-OH 3.49Å; Q508-Y589 WeakPolarHBondContact CG-OH 3.36Å; Y509-Y589 HydrophobicContact CD2-CD2 4.36Å; Y509-Y589 AromaticContact CE2-CD2 3.72Å; Y509-Y589 HydrophobicContact CE2-CD2 3.72Å; Y509-Y589 HydrophobicContact CE2-CE2 4.36Å; Y509-Y589 AromaticContact CZ-CD2 3.92Å; V577-Y589 HydrophobicContact CG1-CE1 4.14Å; D580-Y589 HydrophobicContact CB-CE1 4.18Å; F581-Y589 HydrophobicContact CB-CD1 4.29Å; F581-Y589 HydrophobicContact CB-CE1 4.48Å; D586-Y589 WeakPolarHBondContact O-CB 3.04Å; D586-Y589 PolarHBondContact O-N 2.78Å; D586-Y589 PolarHBondContact OD1-N 3.42Å; Y589-R591 VanDerWaalsContact C-N 3.33Å; Y589-R591 PolarHBondContact O-N 2.91Å; Y589-D592 PolarHBondContact O-N 3.25Å; Y589-M593 HydrophobicContact CD1-CG 4.38Å; Y589-M593 HydrophobicContact CD2-CE 3.85Å; Y589-M593 HydrophobicContact CD2-CG 3.92Å; Y589-M593 HydrophobicContact CE1-CG 4.07Å; Y589-M593 HydrophobicContact CE2-CE 3.38Å; Y589-M593 HydrophobicContact CE2-CG 3.58Å; Y589-M593 HydrophobicContact CE2-SD 4.04Å; Y589-M593 HydrophobicContact CG-CG 4.31Å; Y589-M593 WeakPolarHBondContact O-CB 3.11Å; Y589-M593 WeakPolarHBondContact O-CG 3.47Å; Y589-M593 PolarHBondContact O-N 3.18Å |
| 590 | L | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 177.2 | 179.6 | 63.2 | 0 | 0 | 0 | 112.4 | F581 D586 Q588 M593 W594 M651 L654 V655 | F581-L590 HydrophobicContact CB-CB 4.46Å; F581-L590 HydrophobicContact CD1-CD2 4.12Å; F581-L590 HydrophobicContact CD2-CB 3.63Å; F581-L590 HydrophobicContact CD2-CD2 3.99Å; F581-L590 HydrophobicContact CD2-CG 4.3Å; F581-L590 HydrophobicContact CE1-CD2 3.98Å; F581-L590 HydrophobicContact CE2-CB 4.08Å; F581-L590 HydrophobicContact CE2-CD2 3.81Å; F581-L590 HydrophobicContact CG-CB 4.04Å; F581-L590 HydrophobicContact CG-CD1 4.3Å; F581-L590 HydrophobicContact CG-CD2 4.12Å; F581-L590 HydrophobicContact CG-CG 4.38Å; F581-L590 HydrophobicContact CZ-CD2 3.81Å; D586-L590 PolarHBondContact O-N 3.5Å; D586-L590 VanDerWaalsContact O-N 3.12Å; Q588-L590 VanDerWaalsContact C-N 3.3Å; Q588-L590 PolarHBondContact O-N 2.94Å; L590-M593 PolarHBondContact O-N 3.3Å; L590-W594 WeakPolarHBondContact O-CB 3.39Å; L590-W594 PolarHBondContact O-N 2.98Å; L590-M651 HydrophobicContact CD1-CB 4.36Å; L590-M651 HydrophobicContact CD1-CG 3.77Å; L590-M651 HydrophobicContact CD1-SD 3.62Å; L590-L654 HydrophobicContact CD2-CB 3.88Å; L590-L654 HydrophobicContact CD2-CD1 3.97Å; L590-V655 HydrophobicContact CD2-CG1 4.36Å; L590-V655 HydrophobicContact CG-CG1 4.35Å |
| 591 | R | 96.6 | Very high | 97.7 | Very high | 134 Ų | 134 | 37.4 Ų | 37.4 | 51% | 0.506 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 178 | -76.1 | -173 | -64.6 | -92.1 | 2.2 | 112.3 | S587 Q588 Y589 M593 P595 | S587-R591 WeakPolarHBondContact O-CG 3.44Å; S587-R591 PolarHBondContact O-N 2.79Å; S587-R591 PolarHBondContact O-NH1 3.35Å; Q588-R591 PolarHBondContact O-N 3.47Å; Q588-R591 VanDerWaalsContact O-N 3.11Å; Y589-R591 VanDerWaalsContact C-N 3.33Å; Y589-R591 PolarHBondContact O-N 2.91Å; R591-M593 VanDerWaalsContact C-N 3.35Å; R591-P595 WeakPolarHBondContact O-CD 3.47Å |
| 592 | D | 97.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.7 | -66.3 | -17 | 0 | 0 | 0 | 111.4 | L459 Y509 Q588 Y589 | L459-D592 HydrophobicContact CD2-CB 4.03Å; L459-D592 WeakPolarHBondContact CD2-O 3.33Å; Y509-D592 HydrophobicContact CE1-CB 3.88Å; Y509-D592 WeakPolarHBondContact CE1-OD2 3.1Å; Y509-D592 PolarHBondContact OH-OD2 2.8Å; Q588-D592 PolarHBondContact NE2-OD1 3.26Å; Q588-D592 VanDerWaalsContact O-CG 3.31Å; Q588-D592 PolarHBondContact O-N 2.73Å; Y589-D592 PolarHBondContact O-N 3.25Å |
| 593 | M | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -81.5 | -24 | -176.8 | -64.5 | -66.9 | 156.7 | 0 | 0 | 113.7 | Y509 A512 F573 V577 Y589 L590 R591 I596 C597 | Y509-M593 HydrophobicContact CD1-CE 3.34Å; Y509-M593 HydrophobicContact CD2-CE 4.15Å; Y509-M593 HydrophobicContact CE1-CE 3.62Å; Y509-M593 HydrophobicContact CE2-CE 4.37Å; Y509-M593 HydrophobicContact CG-CE 3.64Å; A512-M593 HydrophobicContact CB-CE 3.88Å; A512-M593 HydrophobicContact CB-SD 3.53Å; A512-M593 VanDerWaalsContact CB-SD 3.53Å; F573-M593 HydrophobicContact CZ-SD 4.06Å; V577-M593 HydrophobicContact CG1-CB 3.5Å; V577-M593 VanDerWaalsContact CG1-CB 3.5Å; V577-M593 HydrophobicContact CG1-CG 4.01Å; V577-M593 HydrophobicContact CG2-CB 4.17Å; V577-M593 HydrophobicContact CG2-CG 4.2Å; V577-M593 HydrophobicContact CG2-SD 4.25Å; Y589-M593 HydrophobicContact CD1-CG 4.38Å; Y589-M593 HydrophobicContact CD2-CE 3.85Å; Y589-M593 HydrophobicContact CD2-CG 3.92Å; Y589-M593 HydrophobicContact CE1-CG 4.07Å; Y589-M593 HydrophobicContact CE2-CE 3.38Å; Y589-M593 HydrophobicContact CE2-CG 3.58Å; Y589-M593 HydrophobicContact CE2-SD 4.04Å; Y589-M593 HydrophobicContact CG-CG 4.31Å; Y589-M593 WeakPolarHBondContact O-CB 3.11Å; Y589-M593 WeakPolarHBondContact O-CG 3.47Å; Y589-M593 PolarHBondContact O-N 3.18Å; L590-M593 PolarHBondContact O-N 3.3Å; R591-M593 VanDerWaalsContact C-N 3.35Å; M593-I596 WeakPolarHBondContact O-CB 3.48Å; M593-I596 PolarHBondContact O-N 3.02Å; M593-C597 PolarHBondContact O-N 3.47Å; M593-C597 PolarHBondContact O-SG 3.31Å |
| 594 | W | 98.1 | Very high | 97.7 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51.3 | -54.5 | -177.3 | 173 | -110.1 | 0 | 0 | 0 | 114.2 | L590 I596 C597 Q598 M648 M651 A652 V655 A660 Y664 | L590-W594 WeakPolarHBondContact O-CB 3.39Å; L590-W594 PolarHBondContact O-N 2.98Å; W594-I596 VanDerWaalsContact C-N 3.26Å; W594-I596 PolarHBondContact O-N 2.86Å; W594-C597 WeakPolarHBondContact O-CB 3.49Å; W594-C597 PolarHBondContact O-N 3.24Å; W594-Q598 HydrophobicContact CD2-CG 4.25Å; W594-Q598 HydrophobicContact CH2-CG 4.18Å; W594-Q598 HydrophobicContact CZ2-CG 3.81Å; W594-Q598 WeakPolarHBondContact O-CG 3.18Å; W594-Q598 PolarHBondContact O-N 3.13Å; W594-M648 HydrophobicContact CE3-CE 4.29Å; W594-M648 HydrophobicContact CH2-CE 3.8Å; W594-M648 HydrophobicContact CZ3-CE 3.51Å; W594-M648 HydrophobicContact CZ3-SD 4.26Å; W594-M651 HydrophobicContact CE3-CB 3.78Å; W594-M651 HydrophobicContact CE3-CE 4.49Å; W594-M651 HydrophobicContact CZ3-CB 3.57Å; W594-M651 HydrophobicContact CZ3-CE 4.36Å; W594-A652 HydrophobicContact CH2-CB 3.75Å; W594-A652 HydrophobicContact CZ2-CB 4.4Å; W594-A652 HydrophobicContact CZ3-CB 4.45Å; W594-V655 HydrophobicContact CB-CG1 4.5Å; W594-V655 HydrophobicContact CD2-CG2 3.75Å; W594-V655 HydrophobicContact CE3-CG2 4.28Å; W594-V655 HydrophobicContact CG-CG1 4.34Å; W594-V655 HydrophobicContact CG-CG2 4.08Å; W594-V655 HydrophobicContact CZ2-CG2 4Å; W594-A660 HydrophobicContact CH2-CB 4.11Å; W594-A660 HydrophobicContact CZ2-CB 3.9Å; W594-Y664 HydrophobicContact CH2-CE2 4.26Å |
| 595 | P | 97.7 | Very high | 97.6 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.6 | -30.9 | -179 | 27.6 | -36.4 | 0 | 0 | 0 | 112.6 | G457 R591 Q598 A599 | G457-P595 WeakPolarHBondContact O-CB 3.06Å; G457-P595 WeakPolarHBondContact O-CG 3.04Å; R591-P595 WeakPolarHBondContact O-CD 3.47Å; P595-Q598 PolarHBondContact O-N 3.29Å; P595-A599 PolarHBondContact O-N 3.33Å |
| 596 | I | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 175 | -49.2 | -58.9 | 0 | 0 | 0 | 110.6 | L459 A512 V515 V516 F573 M593 W594 Q598 A599 V600 | L459-I596 HydrophobicContact CD2-CG1 4.33Å; A512-I596 HydrophobicContact CB-CG1 4.38Å; A512-I596 HydrophobicContact CB-CG2 4.17Å; V515-I596 HydrophobicContact CB-CG2 3.87Å; V515-I596 HydrophobicContact CG1-CG2 3.79Å; V515-I596 HydrophobicContact CG2-CG2 4.09Å; V516-I596 HydrophobicContact CG1-CD1 3.64Å; F573-I596 HydrophobicContact CE1-CB 4.29Å; F573-I596 HydrophobicContact CE1-CG2 3.75Å; F573-I596 HydrophobicContact CZ-CB 4.37Å; F573-I596 HydrophobicContact CZ-CG2 3.76Å; M593-I596 WeakPolarHBondContact O-CB 3.48Å; M593-I596 PolarHBondContact O-N 3.02Å; W594-I596 VanDerWaalsContact C-N 3.26Å; W594-I596 PolarHBondContact O-N 2.86Å; I596-Q598 VanDerWaalsContact C-N 3.31Å; I596-Q598 PolarHBondContact O-N 3.04Å; I596-A599 WeakPolarHBondContact O-CB 3.28Å; I596-A599 PolarHBondContact O-N 3.11Å; I596-V600 PolarHBondContact O-N 3.17Å |
| 597 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 174.1 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | V574 M593 W594 V600 M601 M648 M651 | V574-C597 HydrophobicContact CG2-CB 4.17Å; M593-C597 PolarHBondContact O-N 3.47Å; M593-C597 PolarHBondContact O-SG 3.31Å; W594-C597 WeakPolarHBondContact O-CB 3.49Å; W594-C597 PolarHBondContact O-N 3.24Å; C597-V600 VanDerWaalsContact O-CG2 3.27Å; C597-V600 WeakPolarHBondContact O-CG2 3.1Å; C597-M601 WeakPolarHBondContact O-CB 3.23Å; C597-M601 WeakPolarHBondContact O-CG 3.44Å; C597-M601 PolarHBondContact O-N 3.04Å; C597-M601 VanDerWaalsContact O-N 3.07Å; C597-M648 HydrophobicContact CB-CE 4.2Å; C597-M648 HydrophobicContact CB-SD 3.87Å; C597-M651 HydrophobicContact CB-CE 4.24Å |
| 598 | Q | 98.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 30% | 0.304 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.3 | -66.4 | -173.4 | -87.6 | 0 | 0 | 111.8 | W594 P595 I596 V600 M601 E602 M648 | W594-Q598 HydrophobicContact CD2-CG 4.25Å; W594-Q598 HydrophobicContact CH2-CG 4.18Å; W594-Q598 HydrophobicContact CZ2-CG 3.81Å; W594-Q598 WeakPolarHBondContact O-CG 3.18Å; W594-Q598 PolarHBondContact O-N 3.13Å; P595-Q598 PolarHBondContact O-N 3.29Å; I596-Q598 VanDerWaalsContact C-N 3.31Å; I596-Q598 PolarHBondContact O-N 3.04Å; Q598-V600 PolarHBondContact O-N 3.48Å; Q598-M601 PolarHBondContact O-N 3.4Å; Q598-E602 WeakPolarHBondContact O-CB 3.25Å; Q598-E602 PolarHBondContact O-N 3.15Å; Q598-M648 HydrophobicContact CG-CE 4.03Å |
| 599 | A | 97.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N538 P595 I596 S603 | N538-A599 HydrophobicContact CB-CB 4.39Å; P595-A599 PolarHBondContact O-N 3.33Å; I596-A599 WeakPolarHBondContact O-CB 3.28Å; I596-A599 PolarHBondContact O-N 3.11Å; A599-S603 PolarHBondContact O-N 3.07Å |
| 600 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.9 | -41.1 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | V515 V540 N570 F573 V574 I596 C597 Q598 E602 S603 E604 | V515-V600 HydrophobicContact CG1-CG1 3.45Å; V515-V600 VanDerWaalsContact CG1-CG1 3.45Å; V515-V600 HydrophobicContact CG2-CG1 4.21Å; V540-V600 HydrophobicContact CG2-CG1 4.16Å; N570-V600 HydrophobicContact CB-CB 3.92Å; N570-V600 HydrophobicContact CB-CG2 4.44Å; F573-V600 HydrophobicContact CD1-CG2 4.14Å; V574-V600 HydrophobicContact CG2-CG2 3.48Å; V574-V600 VanDerWaalsContact CG2-CG2 3.48Å; I596-V600 PolarHBondContact O-N 3.17Å; C597-V600 VanDerWaalsContact O-CG2 3.27Å; C597-V600 WeakPolarHBondContact O-CG2 3.1Å; Q598-V600 PolarHBondContact O-N 3.48Å; V600-E602 VanDerWaalsContact C-N 3.32Å; V600-E602 PolarHBondContact O-N 3.49Å; V600-S603 WeakPolarHBondContact O-CB 3.43Å; V600-S603 PolarHBondContact O-N 3.29Å; V600-S603 VanDerWaalsContact O-N 3.09Å; V600-S603 PolarHBondContact O-OG 2.99Å; V600-E604 WeakPolarHBondContact O-CG 3.45Å; V600-E604 PolarHBondContact O-N 3.2Å; V600-E604 VanDerWaalsContact O-N 3.12Å |
| 601 | M | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 177 | -71.1 | -62.6 | -62.1 | 0 | 0 | 112.2 | L571 V574 C597 Q598 S603 E604 L605 W641 L645 M648 Y664 | L571-M601 HydrophobicContact CD2-SD 4.15Å; V574-M601 HydrophobicContact CG1-SD 4.39Å; V574-M601 HydrophobicContact CG2-CG 3.91Å; V574-M601 HydrophobicContact CG2-SD 3.96Å; C597-M601 WeakPolarHBondContact O-CB 3.23Å; C597-M601 WeakPolarHBondContact O-CG 3.44Å; C597-M601 PolarHBondContact O-N 3.04Å; C597-M601 VanDerWaalsContact O-N 3.07Å; Q598-M601 PolarHBondContact O-N 3.4Å; M601-S603 VanDerWaalsContact C-N 3.29Å; M601-S603 PolarHBondContact O-N 2.74Å; M601-E604 PolarHBondContact O-N 3.27Å; M601-L605 PolarHBondContact O-N 3.02Å; M601-W641 HydrophobicContact CE-CE3 3.94Å; M601-W641 HydrophobicContact CE-CH2 3.81Å; M601-W641 HydrophobicContact CE-CZ3 3.36Å; M601-W641 HydrophobicContact SD-CZ3 4.27Å; M601-L645 HydrophobicContact CE-CD2 3.72Å; M601-L645 HydrophobicContact CE-CG 4.17Å; M601-M648 HydrophobicContact CE-CG 4.18Å; M601-M648 HydrophobicContact CG-CE 4.15Å; M601-M648 HydrophobicContact CG-CG 3.81Å; M601-M648 HydrophobicContact CG-SD 3.89Å; M601-M648 HydrophobicContact SD-CG 4.22Å; M601-Y664 HydrophobicContact CB-CE1 4.23Å |
| 602 | E | 97.5 | Very high | 97.6 | Very high | 93 Ų | 93 | 37.7 Ų | 37.7 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.6 | -39 | 173.6 | -168.6 | 67.9 | -141.7 | 0 | 0 | 111.4 | Q598 V600 E604 L605 R663 | Q598-E602 WeakPolarHBondContact O-CB 3.25Å; Q598-E602 PolarHBondContact O-N 3.15Å; V600-E602 VanDerWaalsContact C-N 3.32Å; V600-E602 PolarHBondContact O-N 3.49Å; E602-E604 VanDerWaalsContact C-N 3.31Å; E602-E604 PolarHBondContact O-N 3.12Å; E602-L605 PolarHBondContact O-N 3.15Å; E602-R663 VanDerWaalsContact CD-NH2 3.27Å; E602-R663 IonicContact OE1-NH2 3.47Å; E602-R663 PolarHBondContact OE1-NH2 2.89Å; E602-R663 IonicContact OE2-CZ 3.72Å; E602-R663 IonicContact OE2-NH1 3.79Å; E602-R663 PolarHBondContact OE2-NH1 3.37Å; E602-R663 IonicContact OE2-NH2 2.57Å; E602-R663 PolarHBondContact OE2-NH2 3.04Å |
| 603 | S | 96.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 37 Ų | 37 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -31.7 | 178.9 | 80.5 | 0 | 0 | 0 | 0 | 113.1 | N538 N570 A599 V600 M601 L605 K606 | N538-S603 PolarHBondContact O-OG 3.26Å; N570-S603 PolarHBondContact ND2-OG 3.32Å; A599-S603 PolarHBondContact O-N 3.07Å; V600-S603 WeakPolarHBondContact O-CB 3.43Å; V600-S603 PolarHBondContact O-N 3.29Å; V600-S603 VanDerWaalsContact O-N 3.09Å; V600-S603 PolarHBondContact O-OG 2.99Å; M601-S603 VanDerWaalsContact C-N 3.29Å; M601-S603 PolarHBondContact O-N 2.74Å; S603-L605 VanDerWaalsContact C-N 3.35Å; S603-K606 VanDerWaalsContact O-CD 3.27Å; S603-K606 WeakPolarHBondContact O-CD 3.28Å; S603-K606 WeakPolarHBondContact O-CG 3.4Å |
| 604 | E | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.4 | -23.8 | 178.9 | -70 | -60.1 | 129.1 | 0 | 0 | 113.1 | N570 L571 V600 M601 E602 K606 F607 W641 | N570-E604 HydrophobicContact CB-CG 3.76Å; N570-E604 VanDerWaalsContact CB-OE1 3.31Å; N570-E604 WeakPolarHBondContact CB-OE1 3.24Å; N570-E604 PolarHBondContact ND2-OE1 2.91Å; L571-E604 HydrophobicContact CD2-CG 4Å; V600-E604 WeakPolarHBondContact O-CG 3.45Å; V600-E604 PolarHBondContact O-N 3.2Å; V600-E604 VanDerWaalsContact O-N 3.12Å; M601-E604 PolarHBondContact O-N 3.27Å; E602-E604 VanDerWaalsContact C-N 3.31Å; E602-E604 PolarHBondContact O-N 3.12Å; E604-K606 PolarHBondContact O-N 3.01Å; E604-K606 VanDerWaalsContact O-N 3.07Å; E604-F607 WeakPolarHBondContact O-CB 3.4Å; E604-F607 WeakPolarHBondContact O-CD2 3.39Å; E604-F607 PolarHBondContact O-N 2.85Å; E604-F607 VanDerWaalsContact OE2-CD2 3.23Å; E604-F607 WeakPolarHBondContact OE2-CD2 3.2Å; E604-F607 WeakPolarHBondContact OE2-CE2 3.35Å; E604-W641 HydrophobicContact CB-CE3 4.35Å; E604-W641 HydrophobicContact CB-CZ3 3.73Å |
| 605 | L | 96.9 | Very high | 97.7 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 18% | 0.183 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -60.7 | -21.2 | 178.7 | -71.4 | 172 | 0 | 0 | 0 | 113.4 | M601 E602 S603 F607 D608 W641 L667 | M601-L605 PolarHBondContact O-N 3.02Å; E602-L605 PolarHBondContact O-N 3.15Å; S603-L605 VanDerWaalsContact C-N 3.35Å; L605-F607 PolarHBondContact O-N 2.65Å; L605-F607 VanDerWaalsContact O-N 3.14Å; L605-D608 PolarHBondContact O-N 3.48Å; L605-W641 HydrophobicContact CD2-CH2 3.71Å; L605-W641 HydrophobicContact CD2-CZ2 4.04Å; L605-W641 HydrophobicContact CG-CH2 4.35Å; L605-L667 HydrophobicContact CD2-CD1 3.85Å; L605-L667 HydrophobicContact CD2-CD2 3.95Å |
| 606 | K | 96.4 | Very high | 97.7 | Very high | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -62.7 | -17 | 174.5 | 79.9 | -169.7 | -178.2 | 173 | 0 | 112.8 | D565 S603 E604 | D565-K606 IonicContact OD1-NZ 3.94Å; D565-K606 PolarHBondContact OD1-NZ 3.34Å; S603-K606 VanDerWaalsContact O-CD 3.27Å; S603-K606 WeakPolarHBondContact O-CD 3.28Å; S603-K606 WeakPolarHBondContact O-CG 3.4Å; E604-K606 PolarHBondContact O-N 3.01Å; E604-K606 VanDerWaalsContact O-N 3.07Å |
| 607 | F | 98.1 | Very high | 97.7 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -97.1 | 2.3 | -179.3 | -54.7 | -54.5 | 0 | 0 | 0 | 114 | D565 K567 E604 L605 I615 E616 | D565-F607 HydrophobicContact CB-CE1 4.32Å; D565-F607 HydrophobicContact CB-CZ 4.17Å; K567-F607 HydrophobicContact CD-CB 4.15Å; K567-F607 HydrophobicContact CD-CD1 3.99Å; K567-F607 HydrophobicContact CD-CD2 3.43Å; K567-F607 VanDerWaalsContact CD-CD2 3.43Å; K567-F607 HydrophobicContact CD-CE1 4.11Å; K567-F607 HydrophobicContact CD-CE2 3.6Å; K567-F607 HydrophobicContact CD-CG 3.62Å; K567-F607 HydrophobicContact CD-CZ 3.92Å; E604-F607 WeakPolarHBondContact O-CB 3.4Å; E604-F607 WeakPolarHBondContact O-CD2 3.39Å; E604-F607 PolarHBondContact O-N 2.85Å; E604-F607 VanDerWaalsContact OE2-CD2 3.23Å; E604-F607 WeakPolarHBondContact OE2-CD2 3.2Å; E604-F607 WeakPolarHBondContact OE2-CE2 3.35Å; L605-F607 PolarHBondContact O-N 2.65Å; L605-F607 VanDerWaalsContact O-N 3.14Å; F607-I615 HydrophobicContact CB-CB 3.96Å; F607-I615 HydrophobicContact CB-CG2 4.05Å; F607-I615 CarbonylContact O-C 3.53Å; F607-I615 VanDerWaalsContact O-CA 3.24Å; F607-I615 WeakPolarHBondContact O-CA 3.44Å; F607-E616 PolarHBondContact O-N 2.93Å |
| 608 | D | 97.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | trans | -91 | 91 | 163.5 | 173.5 | 7.3 | 0 | 0 | 0 | 106.8 | L605 G611 D612 G613 | L605-D608 PolarHBondContact O-N 3.48Å; D608-G611 WeakPolarHBondContact OD1-CA 3.12Å; D608-G611 PolarHBondContact OD1-N 3.2Å; D608-D612 PolarHBondContact OD1-N 3.32Å; D608-G613 PolarHBondContact OD1-N 2.84Å; D608-G613 WeakPolarHBondContact OD2-CA 3.41Å; D608-G613 PolarHBondContact OD2-N 3.28Å | ||
| 609 | Q | 97 | Very high | 97.2 | Very high | 141 Ų | 141 | 36 Ų | 36 | 66% | 0.659 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -83.2 | -22.7 | -169.8 | -72 | 168.2 | 73.5 | 0 | 0 | 113.2 | E616 | Q609-E616 WeakPolarHBondContact CB-OE2 3.29Å; Q609-E616 WeakPolarHBondContact CG-OE2 3.42Å; Q609-E616 PolarHBondContact N-OE1 3.11Å; Q609-E616 PolarHBondContact N-OE2 2.93Å; Q609-E616 PolarHBondContact NE2-OE2 3.37Å |
| 610 | D | 96.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 59% | 0.594 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -108.2 | -4.1 | -179.3 | 73.9 | 9.3 | 0 | 0 | 0 | 114.2 | D612 | D610-D612 VanDerWaalsContact C-N 3.32Å; D610-D612 VanDerWaalsContact OD1-CB 3.25Å; D610-D612 WeakPolarHBondContact OD1-CB 3.39Å; D610-D612 PolarHBondContact OD1-N 2.94Å |
| 611 | G | 97 | Very high | 96.6 | Very high | 44 Ų | 44 | 39 Ų | 39 | 45% | 0.454 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 76.8 | 17.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D608 G613 R670 | D608-G611 WeakPolarHBondContact OD1-CA 3.12Å; D608-G611 PolarHBondContact OD1-N 3.2Å; G611-G613 PolarHBondContact O-N 3.45Å; G611-R670 PolarHBondContact O-NH1 3.01Å |
| 612 | D | 97.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 39 Ų | 39 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -80.3 | -3 | 176.8 | 83.5 | 3.2 | 0 | 0 | 0 | 113.4 | D608 D610 L614 R670 G671 A674 | D608-D612 PolarHBondContact OD1-N 3.32Å; D610-D612 VanDerWaalsContact C-N 3.32Å; D610-D612 VanDerWaalsContact OD1-CB 3.25Å; D610-D612 WeakPolarHBondContact OD1-CB 3.39Å; D610-D612 PolarHBondContact OD1-N 2.94Å; D612-L614 VanDerWaalsContact OD1-CB 3.24Å; D612-L614 WeakPolarHBondContact OD1-CB 3.07Å; D612-L614 PolarHBondContact OD1-N 3.41Å; D612-R670 CarbonylContact O-C 3.28Å; D612-R670 WeakPolarHBondContact O-CB 3.34Å; D612-G671 PolarHBondContact O-N 3.47Å; D612-A674 HydrophobicContact CB-CB 4.25Å; D612-A674 WeakPolarHBondContact OD2-CB 3.4Å |
| 613 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 88.5 | 7.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D608 G611 W641 R670 G671 | D608-G613 PolarHBondContact OD1-N 2.84Å; D608-G613 WeakPolarHBondContact OD2-CA 3.41Å; D608-G613 PolarHBondContact OD2-N 3.28Å; G611-G613 PolarHBondContact O-N 3.45Å; G613-W641 PolarHBondContact O-NE1 3.42Å; G613-R670 VanDerWaalsContact N-NH1 3.14Å; G613-G671 WeakPolarHBondContact O-CA 3.41Å |
| 614 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -120.3 | 137.1 | 177.6 | -173.1 | 60.5 | 0 | 0 | 0 | 110.9 | D612 P633 L642 A674 F675 L678 | D612-L614 VanDerWaalsContact OD1-CB 3.24Å; D612-L614 WeakPolarHBondContact OD1-CB 3.07Å; D612-L614 PolarHBondContact OD1-N 3.41Å; L614-P633 HydrophobicContact CD2-CB 3.56Å; L614-P633 HydrophobicContact CD2-CG 3.88Å; L614-P633 HydrophobicContact CG-CB 4.07Å; L614-P633 HydrophobicContact CG-CG 4.19Å; L614-L642 HydrophobicContact CD1-CD2 4.48Å; L614-A674 HydrophobicContact CB-CB 4.01Å; L614-A674 HydrophobicContact CD2-CB 4.04Å; L614-F675 HydrophobicContact CD1-CB 4.37Å; L614-F675 HydrophobicContact CD1-CD2 4.17Å; L614-F675 HydrophobicContact CD2-CB 3.92Å; L614-F675 HydrophobicContact CD2-CD2 4.27Å; L614-L678 HydrophobicContact CD2-CD1 4.4Å | ||
| 615 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -79.7 | 149.8 | 179.7 | 63.5 | 171.3 | 0 | 0 | 0 | 112.6 | K567 L571 F607 W641 | K567-I615 HydrophobicContact CB-CD1 4.18Å; L571-I615 HydrophobicContact CD1-CD1 3.86Å; F607-I615 HydrophobicContact CB-CB 3.96Å; F607-I615 HydrophobicContact CB-CG2 4.05Å; F607-I615 CarbonylContact O-C 3.53Å; F607-I615 VanDerWaalsContact O-CA 3.24Å; F607-I615 WeakPolarHBondContact O-CA 3.44Å; I615-W641 HydrophobicContact CD1-CB 3.82Å; I615-W641 HydrophobicContact CD1-CG 4.28Å; I615-W641 HydrophobicContact CG1-CB 3.86Å; I615-W641 HydrophobicContact CG1-CD2 4.46Å; I615-W641 HydrophobicContact CG1-CG 4.03Å; I615-W641 HydrophobicContact CG2-CD2 3.77Å; I615-W641 HydrophobicContact CG2-CE3 3.93Å; I615-W641 HydrophobicContact CG2-CG 4.14Å; I615-W641 HydrophobicContact CG2-CZ2 4.38Å; I615-W641 HydrophobicContact CG2-CZ3 4.32Å | ||
| 616 | E | 98.4 | Very high | 96.3 | Very high | 17 Ų | 17 | 34 Ų | 34 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | trans | -113.5 | 135.6 | 175.9 | -44.6 | 93.4 | -177.8 | 0 | 0 | 114.3 | K567 F607 Q609 P633 | K567-E616 WeakPolarHBondContact CE-O 3.49Å; F607-E616 PolarHBondContact O-N 2.93Å; Q609-E616 WeakPolarHBondContact CB-OE2 3.29Å; Q609-E616 WeakPolarHBondContact CG-OE2 3.42Å; Q609-E616 PolarHBondContact N-OE1 3.11Å; Q609-E616 PolarHBondContact N-OE2 2.93Å; Q609-E616 PolarHBondContact NE2-OE2 3.37Å; E616-P633 HydrophobicContact CG-CG 3.92Å | ||
| 617 | N | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 146.1 | 167.5 | -66.9 | 95.5 | 0 | 0 | 0 | 111.4 | K567 G619 D622 V630 G632 S634 C637 | K567-N617 WeakPolarHBondContact CG-ND2 3.44Å; N617-G619 PolarHBondContact O-N 3.25Å; N617-D622 PolarHBondContact ND2-OD1 3.39Å; N617-V630 HydrophobicContact CB-CB 3.68Å; N617-V630 HydrophobicContact CB-CG1 3.55Å; N617-V630 VanDerWaalsContact CG-CG1 3.5Å; N617-V630 WeakPolarHBondContact OD1-CG1 3.15Å; N617-G632 WeakPolarHBondContact CB-O 3.33Å; N617-G632 PolarHBondContact N-O 3.17Å; N617-G632 PolarHBondContact O-N 3.08Å; N617-S634 WeakPolarHBondContact OD1-CB 3.26Å; N617-S634 PolarHBondContact OD1-OG 2.74Å; N617-C637 PolarHBondContact ND2-SG 3.43Å |
| 618 | S | 95.7 | Very high | 95.8 | Very high | 55 Ų | 55 | 30.3 Ų | 30.3 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 11 | -161.8 | -56.8 | 0 | 0 | 0 | 0 | 115.3 | K567 D622 | K567-S618 PolarHBondContact NZ-OG 3.23Å; K567-S618 VanDerWaalsContact NZ-OG 3.08Å; S618-D622 PolarHBondContact N-OD2 3.14Å |
| 619 | G | 92.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 82.8 | 17.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N617 T629 V630 T631 | N617-G619 PolarHBondContact O-N 3.25Å; G619-T629 WeakPolarHBondContact O-CG2 3.43Å; G619-V630 WeakPolarHBondContact CA-O 3.12Å; G619-V630 PolarHBondContact N-O 3.3Å; G619-T631 VanDerWaalsContact CA-OG1 3.32Å; G619-T631 WeakPolarHBondContact CA-OG1 3.48Å |
| 620 | Y | 91.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 25.6 Ų | 25.6 | 31% | 0.314 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -138.2 | 178 | 167 | 63.5 | -86.8 | 0 | 0 | 0 | 108.6 | D565 D622 | D565-Y620 WeakPolarHBondContact CB-OH 3.27Å; Y620-D622 HydrophobicContact CD2-CB 4.05Å; Y620-D622 HydrophobicContact CE2-CB 3.58Å; Y620-D622 PolarHBondContact O-N 3.13Å |
| 621 | A | 92.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | trans | -76.9 | 101.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | H561 D626 | H561-A621 PolarHBondContact ND1-O 3.32Å; H561-A621 VanDerWaalsContact ND1-O 3.15Å; A621-D626 WeakPolarHBondContact CB-O 3.49Å | ||
| 622 | D | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -120.8 | 40.8 | -176.8 | 60 | -7.2 | 0 | 0 | 0 | 111.8 | W566 K567 N617 S618 Y620 | W566-D622 CarbonylContact C-O 3.6Å; W566-D622 WeakPolarHBondContact CA-O 3.42Å; K567-D622 PolarHBondContact N-O 3.44Å; K567-D622 IonicContact NZ-OD2 2.74Å; K567-D622 PolarHBondContact NZ-OD2 3.36Å; N617-D622 PolarHBondContact ND2-OD1 3.39Å; S618-D622 PolarHBondContact N-OD2 3.14Å; Y620-D622 HydrophobicContact CD2-CB 4.05Å; Y620-D622 HydrophobicContact CE2-CB 3.58Å; Y620-D622 PolarHBondContact O-N 3.13Å | ||
| 623 | Q | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -167.3 | 176.9 | 179.5 | 46.1 | 66.2 | 42.9 | 0 | 0 | 110.3 | D568 Y625 D626 W628 V630 Y636 | D568-Q623 HydrophobicContact CB-CB 4.16Å; D568-Q623 WeakPolarHBondContact OD1-CA 3.25Å; Q623-Y625 VanDerWaalsContact C-N 3.25Å; Q623-Y625 PolarHBondContact NE2-O 3.17Å; Q623-Y625 CarbonylContact O-C 3.48Å; Q623-Y625 PolarHBondContact O-N 3.37Å; Q623-Y625 VanDerWaalsContact OE1-CB 3.29Å; Q623-Y625 VanDerWaalsContact OE1-CD2 3.22Å; Q623-D626 PolarHBondContact O-N 2.8Å; Q623-W628 PolarHBondContact NE2-O 3.45Å; Q623-V630 HydrophobicContact CG-CG2 4.49Å; Q623-Y636 HydrophobicContact CB-CE1 4.25Å; Q623-Y636 HydrophobicContact CG-CD1 4.48Å; Q623-Y636 HydrophobicContact CG-CE1 4.49Å |
| 624 | T | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -48.6 | -33.5 | -174.5 | -161.3 | 0 | 0 | 0 | 0 | 116.3 | D487 D568 D626 Y636 W770 R828 | D487-T624 WeakPolarHBondContact OD2-CB 3.46Å; D487-T624 PolarHBondContact OD2-OG1 3.37Å; D568-T624 WeakPolarHBondContact OD2-CB 3.26Å; D568-T624 PolarHBondContact OD2-N 2.84Å; T624-D626 PolarHBondContact O-N 3.22Å; T624-Y636 HydrophobicContact CG2-CE1 4.05Å; T624-Y636 WeakPolarHBondContact CG2-OH 3.49Å; T624-W770 HydrophobicContact CG2-CZ3 4.23Å; T624-R828 PolarHBondContact OG1-NH1 3.49Å; T624-R828 PolarHBondContact OG1-NH2 2.6Å |
| 625 | Y | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -77 | 66.1 | 168.3 | -56.9 | -99.7 | 0 | 0 | 0 | 109 | Q623 G627 W628 Y636 M699 D701 N751 Q765 W770 V773 | Q623-Y625 VanDerWaalsContact C-N 3.25Å; Q623-Y625 PolarHBondContact NE2-O 3.17Å; Q623-Y625 CarbonylContact O-C 3.48Å; Q623-Y625 PolarHBondContact O-N 3.37Å; Q623-Y625 VanDerWaalsContact OE1-CB 3.29Å; Q623-Y625 VanDerWaalsContact OE1-CD2 3.22Å; Y625-G627 PolarHBondContact O-N 3.06Å; Y625-W628 HydrophobicContact CD1-CE3 4.09Å; Y625-W628 HydrophobicContact CG-CE3 4.44Å; Y625-W628 PolarHBondContact O-N 3.43Å; Y625-Y636 HydrophobicContact CD2-CE1 4.32Å; Y625-Y636 HydrophobicContact CE2-CE1 4.35Å; Y625-Y636 HydrophobicContact CE2-CE2 4.27Å; Y625-M699 HydrophobicContact CD1-CE 4.35Å; Y625-M699 HydrophobicContact CD2-CE 3.54Å; Y625-M699 HydrophobicContact CE1-CE 4.02Å; Y625-M699 HydrophobicContact CE2-CE 3.18Å; Y625-M699 HydrophobicContact CG-CE 4.14Å; Y625-M699 VanDerWaalsContact CZ-CE 3.45Å; Y625-D701 VanDerWaalsContact OH-CB 3.26Å; Y625-D701 WeakPolarHBondContact OH-CB 3.43Å; Y625-D701 PolarHBondContact OH-OD2 2.86Å; Y625-D701 VanDerWaalsContact OH-OD2 3.07Å; Y625-N751 HydrophobicContact CE1-CB 4.43Å; Y625-Q765 PolarHBondContact O-OE1 3.07Å; Y625-W770 HydrophobicContact CD1-CD2 4.35Å; Y625-W770 AromaticContact CD1-CE3 4Å; Y625-W770 HydrophobicContact CD1-CE3 4Å; Y625-W770 AromaticContact CD1-CH2 3.43Å; Y625-W770 HydrophobicContact CD1-CH2 3.43Å; Y625-W770 VanDerWaalsContact CD1-CH2 3.43Å; Y625-W770 AromaticContact CD1-CZ2 3.79Å; Y625-W770 HydrophobicContact CD1-CZ2 3.79Å; Y625-W770 AromaticContact CD1-CZ3 3.52Å; Y625-W770 HydrophobicContact CD1-CZ3 3.52Å; Y625-W770 HydrophobicContact CD2-CH2 4.49Å; Y625-W770 HydrophobicContact CD2-CZ3 4.2Å; Y625-W770 AromaticContact CE1-CD2 3.94Å; Y625-W770 HydrophobicContact CE1-CD2 3.94Å; Y625-W770 AromaticContact CE1-CE3 3.51Å; Y625-W770 HydrophobicContact CE1-CE3 3.51Å; Y625-W770 AromaticContact CE1-CH2 3.87Å; Y625-W770 HydrophobicContact CE1-CH2 3.87Å; Y625-W770 HydrophobicContact CE1-CZ2 4.22Å; Y625-W770 AromaticContact CE1-CZ3 3.48Å; Y625-W770 HydrophobicContact CE1-CZ3 3.48Å; Y625-W770 VanDerWaalsContact CE1-CZ3 3.48Å; Y625-W770 HydrophobicContact CE2-CZ3 4.15Å; Y625-W770 AromaticContact CG-CH2 3.78Å; Y625-W770 HydrophobicContact CG-CH2 3.78Å; Y625-W770 HydrophobicContact CG-CZ2 4.49Å; Y625-W770 AromaticContact CG-CZ3 3.89Å; Y625-W770 HydrophobicContact CG-CZ3 3.89Å; Y625-W770 AromaticContact CZ-CE3 3.86Å; Y625-W770 AromaticContact CZ-CZ3 3.8Å; Y625-V773 WeakPolarHBondContact OH-CG2 3.27Å |
| 626 | D | 91.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 19.3 Ų | 19.3 | 21% | 0.214 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -2.8 | -170.1 | 75.5 | -27.2 | 0 | 0 | 0 | 115.1 | Y558 H561 W566 A621 Q623 T624 Q765 | Y558-D626 WeakPolarHBondContact OH-CB 3.48Å; Y558-D626 PolarHBondContact OH-OD2 3.26Å; H561-D626 PolarHBondContact CE1-O 2.82Å; H561-D626 PolarHBondContact NE2-O 3.12Å; W566-D626 HydrophobicContact CH2-CB 3.86Å; W566-D626 HydrophobicContact CZ2-CB 3.87Å; A621-D626 WeakPolarHBondContact CB-O 3.49Å; Q623-D626 PolarHBondContact O-N 2.8Å; T624-D626 PolarHBondContact O-N 3.22Å; D626-Q765 PolarHBondContact OD1-NE2 3.42Å |
| 627 | G | 91.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 18.5 Ų | 18.5 | 35% | 0.351 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 0.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y625 S763 Q765 | Y625-G627 PolarHBondContact O-N 3.06Å; G627-S763 VanDerWaalsContact C-OG 3.28Å; G627-S763 WeakPolarHBondContact O-CB 3.28Å; G627-S763 PolarHBondContact O-OG 2.99Å; G627-Q765 VanDerWaalsContact CA-OE1 3.29Å; G627-Q765 VanDerWaalsContact N-CD 3.32Å |
| 628 | W | 93.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -114.5 | 105.4 | -179.9 | -159.5 | 8.4 | 0 | 0 | 0 | 110.9 | Q623 Y625 Y687 M699 N751 S762 Q765 | Q623-W628 PolarHBondContact NE2-O 3.45Å; Y625-W628 HydrophobicContact CD1-CE3 4.09Å; Y625-W628 HydrophobicContact CG-CE3 4.44Å; Y625-W628 PolarHBondContact O-N 3.43Å; W628-Y687 AromaticContact CD1-CZ 3.95Å; W628-Y687 VanDerWaalsContact CD1-OH 3.29Å; W628-Y687 AromaticContact CD2-CE2 3.75Å; W628-Y687 HydrophobicContact CD2-CE2 3.75Å; W628-Y687 AromaticContact CD2-CZ 3.73Å; W628-Y687 AromaticContact CE2-CE2 3.62Å; W628-Y687 AromaticContact CE2-CZ 3.55Å; W628-Y687 AromaticContact CE3-CE2 3.9Å; W628-Y687 HydrophobicContact CE3-CE2 3.9Å; W628-Y687 HydrophobicContact CG-CE2 4.45Å; W628-Y687 AromaticContact CG-CZ 3.99Å; W628-Y687 AromaticContact CH2-CD2 3.99Å; W628-Y687 HydrophobicContact CH2-CD2 3.99Å; W628-Y687 AromaticContact CH2-CE2 3.82Å; W628-Y687 HydrophobicContact CH2-CE2 3.82Å; W628-Y687 AromaticContact CZ2-CD2 3.92Å; W628-Y687 HydrophobicContact CZ2-CD2 3.92Å; W628-Y687 AromaticContact CZ2-CE2 3.67Å; W628-Y687 HydrophobicContact CZ2-CE2 3.67Å; W628-Y687 HydrophobicContact CZ2-CG 4.46Å; W628-Y687 HydrophobicContact CZ3-CD2 4.46Å; W628-Y687 AromaticContact CZ3-CE2 3.93Å; W628-Y687 HydrophobicContact CZ3-CE2 3.93Å; W628-Y687 AromaticContact NE1-CZ 3.71Å; W628-Y687 PolarHBondContact O-OH 3.42Å; W628-M699 HydrophobicContact CH2-CB 4.41Å; W628-M699 HydrophobicContact CH2-CG 4.17Å; W628-M699 HydrophobicContact CZ3-CE 4.25Å; W628-M699 HydrophobicContact CZ3-CG 3.95Å; W628-M699 HydrophobicContact CZ3-SD 4.46Å; W628-N751 HydrophobicContact CZ3-CB 4.21Å; W628-S762 PolarHBondContact NE1-OG 3.24Å; W628-Q765 HydrophobicContact CB-CB 4.42Å; W628-Q765 VanDerWaalsContact N-OE1 3.16Å |
| 629 | T | 93.9 | Very high | 95.8 | Very high | 62 Ų | 62 | 15.8 Ų | 15.8 | 38% | 0.38 | 10% | 0.102 | S | C | . | . | trans | -67.2 | 140.3 | -176.2 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | G619 Y687 | G619-T629 WeakPolarHBondContact O-CG2 3.43Å; T629-Y687 VanDerWaalsContact O-CE1 3.3Å; T629-Y687 WeakPolarHBondContact O-CE1 3.12Å; T629-Y687 PolarHBondContact O-OH 3.26Å | ||
| 630 | V | 94.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.024 | 9% | 0.088 | C | C | . | . | trans | -128.5 | 140 | 176.6 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | N617 G619 Q623 Y687 D688 | N617-V630 HydrophobicContact CB-CB 3.68Å; N617-V630 HydrophobicContact CB-CG1 3.55Å; N617-V630 VanDerWaalsContact CG-CG1 3.5Å; N617-V630 WeakPolarHBondContact OD1-CG1 3.15Å; G619-V630 WeakPolarHBondContact CA-O 3.12Å; G619-V630 PolarHBondContact N-O 3.3Å; Q623-V630 HydrophobicContact CG-CG2 4.49Å; V630-Y687 HydrophobicContact CG2-CE1 4.22Å; V630-Y687 HydrophobicContact CG2-CE2 4.39Å; V630-Y687 WeakPolarHBondContact CG2-OH 3.42Å; V630-D688 HydrophobicContact CG1-CB 3.9Å | ||
| 631 | T | 96.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 10.6 Ų | 10.6 | 19% | 0.19 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.1 | 175.3 | -47.9 | 0 | 0 | 0 | 0 | 111.9 | G619 D688 R692 | G619-T631 VanDerWaalsContact CA-OG1 3.32Å; G619-T631 WeakPolarHBondContact CA-OG1 3.48Å; T631-D688 PolarHBondContact N-OD2 2.78Å; T631-D688 WeakPolarHBondContact O-CB 3.47Å; T631-R692 PolarHBondContact OG1-NH1 2.95Å |
| 632 | G | 97.7 | Very high | 96.7 | Very high | 14 Ų | 14 | 10.3 Ų | 10.3 | 14% | 0.144 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.7 | -170.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N617 | N617-G632 WeakPolarHBondContact CB-O 3.33Å; N617-G632 PolarHBondContact N-O 3.17Å; N617-G632 PolarHBondContact O-N 3.08Å |
| 633 | P | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 10.3 Ų | 10.3 | 7% | 0.065 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -54 | 140.1 | 168.1 | -33 | 39.4 | 0 | 0 | 0 | 112.7 | L614 E616 L678 D688 S689 | L614-P633 HydrophobicContact CD2-CB 3.56Å; L614-P633 HydrophobicContact CD2-CG 3.88Å; L614-P633 HydrophobicContact CG-CB 4.07Å; L614-P633 HydrophobicContact CG-CG 4.19Å; E616-P633 HydrophobicContact CG-CG 3.92Å; P633-L678 HydrophobicContact CB-CD1 4.28Å; P633-L678 HydrophobicContact CG-CD1 3.87Å; P633-D688 CarbonylContact O-C 3.49Å; P633-D688 WeakPolarHBondContact O-CA 3.43Å; P633-S689 VanDerWaalsContact CD-OG 3.23Å; P633-S689 WeakPolarHBondContact CD-OG 3.44Å; P633-S689 PolarHBondContact O-N 3.06Å |
| 634 | S | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | B | Isolated β-bridge | trans | -130.1 | 153.7 | -179.5 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | N617 Y636 C637 G638 L679 Y687 | N617-S634 WeakPolarHBondContact OD1-CB 3.26Å; N617-S634 PolarHBondContact OD1-OG 2.74Å; S634-Y636 VanDerWaalsContact C-N 3.27Å; S634-Y636 PolarHBondContact O-N 3.29Å; S634-C637 WeakPolarHBondContact OG-CB 3.28Å; S634-C637 PolarHBondContact OG-N 3Å; S634-G638 VanDerWaalsContact O-CA 3.24Å; S634-G638 WeakPolarHBondContact O-CA 3.2Å; S634-G638 PolarHBondContact O-N 2.92Å; S634-L679 VanDerWaalsContact C-CD1 3.48Å; S634-Y687 WeakPolarHBondContact CA-O 3.41Å; S634-Y687 WeakPolarHBondContact CB-O 3.24Å |
| 635 | A | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G639 N686 Y687 Q702 | A635-G639 WeakPolarHBondContact O-CA 3.36Å; A635-G639 PolarHBondContact O-N 2.91Å; A635-N686 WeakPolarHBondContact CB-O 3.19Å; A635-Y687 PolarHBondContact N-O 3.2Å; A635-Q702 HydrophobicContact CB-CB 3.8Å |
| 636 | Y | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 2% | 0.02 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -73.2 | -61.1 | -178.3 | 178.8 | -110.3 | 0 | 0 | 0 | 112.5 | Y491 D568 K572 Q623 T624 Y625 S634 G639 M640 M699 D701 A704 | Y491-Y636 PolarHBondContact OH-OH 2.9Å; D568-Y636 HydrophobicContact CB-CE1 4.27Å; D568-Y636 PolarHBondContact OD2-OH 3.32Å; K572-Y636 WeakPolarHBondContact CE-OH 3.27Å; K572-Y636 PolarHBondContact NZ-OH 3.37Å; Q623-Y636 HydrophobicContact CB-CE1 4.25Å; Q623-Y636 HydrophobicContact CG-CD1 4.48Å; Q623-Y636 HydrophobicContact CG-CE1 4.49Å; T624-Y636 HydrophobicContact CG2-CE1 4.05Å; T624-Y636 WeakPolarHBondContact CG2-OH 3.49Å; Y625-Y636 HydrophobicContact CD2-CE1 4.32Å; Y625-Y636 HydrophobicContact CE2-CE1 4.35Å; Y625-Y636 HydrophobicContact CE2-CE2 4.27Å; S634-Y636 VanDerWaalsContact C-N 3.27Å; S634-Y636 PolarHBondContact O-N 3.29Å; Y636-G639 PolarHBondContact O-N 3Å; Y636-M640 HydrophobicContact CD1-CE 3.51Å; Y636-M640 HydrophobicContact CD2-CE 3.87Å; Y636-M640 HydrophobicContact CE1-CE 3.18Å; Y636-M640 HydrophobicContact CE2-CE 3.56Å; Y636-M640 HydrophobicContact CE2-SD 4.12Å; Y636-M640 HydrophobicContact CG-CE 3.83Å; Y636-M640 WeakPolarHBondContact O-CE 3.48Å; Y636-M640 WeakPolarHBondContact O-CG 3.35Å; Y636-M640 PolarHBondContact O-N 3.32Å; Y636-M699 HydrophobicContact CD2-CE 4.3Å; Y636-M699 HydrophobicContact CG-CE 4.08Å; Y636-M699 HydrophobicContact CG-SD 4.48Å; Y636-D701 HydrophobicContact CD2-CB 4.29Å; Y636-D701 WeakPolarHBondContact CE2-OD2 3.19Å; Y636-A704 HydrophobicContact CD2-CB 3.77Å; Y636-A704 HydrophobicContact CE2-CB 3.72Å |
| 637 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -72.1 | -42.5 | -177.1 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | K567 N617 S634 G639 M640 W641 | K567-C637 HydrophobicContact CB-CB 3.95Å; N617-C637 PolarHBondContact ND2-SG 3.43Å; S634-C637 WeakPolarHBondContact OG-CB 3.28Å; S634-C637 PolarHBondContact OG-N 3Å; C637-G639 VanDerWaalsContact C-N 3.32Å; C637-G639 PolarHBondContact O-N 3.18Å; C637-M640 PolarHBondContact O-N 3.06Å; C637-W641 WeakPolarHBondContact O-CB 3.4Å; C637-W641 PolarHBondContact O-N 3.43Å |
| 638 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S634 W641 L642 | S634-G638 VanDerWaalsContact O-CA 3.24Å; S634-G638 WeakPolarHBondContact O-CA 3.2Å; S634-G638 PolarHBondContact O-N 2.92Å; G638-W641 WeakPolarHBondContact O-CB 3.5Å; G638-W641 PolarHBondContact O-N 2.62Å; G638-L642 WeakPolarHBondContact O-CG 3.31Å; G638-L642 PolarHBondContact O-N 3.08Å |
| 639 | G | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 2% | 0.021 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A635 Y636 C637 W641 L642 A643 F675 F722 | A635-G639 WeakPolarHBondContact O-CA 3.36Å; A635-G639 PolarHBondContact O-N 2.91Å; Y636-G639 PolarHBondContact O-N 3Å; C637-G639 VanDerWaalsContact C-N 3.32Å; C637-G639 PolarHBondContact O-N 3.18Å; G639-W641 VanDerWaalsContact C-N 3.29Å; G639-W641 PolarHBondContact O-N 2.95Å; G639-L642 PolarHBondContact O-N 3.29Å; G639-A643 WeakPolarHBondContact O-CB 3.44Å; G639-A643 PolarHBondContact O-N 3.37Å; G639-F675 VanDerWaalsContact N-CE2 3.34Å; G639-F722 WeakPolarHBondContact O-CZ 3.41Å |
| 640 | M | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.9 | -32.9 | 174.8 | -75.7 | -173.3 | -71.3 | 0 | 0 | 112.7 | D568 L571 K572 L575 Y636 C637 A643 S644 | D568-M640 HydrophobicContact CB-CE 3.5Å; D568-M640 HydrophobicContact CB-SD 4.31Å; L571-M640 HydrophobicContact CB-CB 4.21Å; L571-M640 HydrophobicContact CD1-CB 3.98Å; K572-M640 HydrophobicContact CG-SD 4Å; L575-M640 HydrophobicContact CD1-CB 4.4Å; L575-M640 HydrophobicContact CD1-CG 4.32Å; Y636-M640 HydrophobicContact CD1-CE 3.51Å; Y636-M640 HydrophobicContact CD2-CE 3.87Å; Y636-M640 HydrophobicContact CE1-CE 3.18Å; Y636-M640 HydrophobicContact CE2-CE 3.56Å; Y636-M640 HydrophobicContact CE2-SD 4.12Å; Y636-M640 HydrophobicContact CG-CE 3.83Å; Y636-M640 WeakPolarHBondContact O-CE 3.48Å; Y636-M640 WeakPolarHBondContact O-CG 3.35Å; Y636-M640 PolarHBondContact O-N 3.32Å; C637-M640 PolarHBondContact O-N 3.06Å; M640-A643 PolarHBondContact O-N 2.76Å; M640-S644 WeakPolarHBondContact O-CB 3.21Å; M640-S644 PolarHBondContact O-N 3.17Å; M640-S644 PolarHBondContact O-OG 3.5Å |
| 641 | W | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64 | -50.8 | 176.1 | 167.2 | -107.5 | 0 | 0 | 0 | 111.1 | L571 M601 E604 L605 G613 I615 C637 G638 G639 A643 S644 L645 | L571-W641 HydrophobicContact CD1-CB 3.95Å; L571-W641 HydrophobicContact CD2-CE3 3.69Å; L571-W641 HydrophobicContact CD2-CZ3 4.29Å; M601-W641 HydrophobicContact CE-CE3 3.94Å; M601-W641 HydrophobicContact CE-CH2 3.81Å; M601-W641 HydrophobicContact CE-CZ3 3.36Å; M601-W641 HydrophobicContact SD-CZ3 4.27Å; E604-W641 HydrophobicContact CB-CE3 4.35Å; E604-W641 HydrophobicContact CB-CZ3 3.73Å; L605-W641 HydrophobicContact CD2-CH2 3.71Å; L605-W641 HydrophobicContact CD2-CZ2 4.04Å; L605-W641 HydrophobicContact CG-CH2 4.35Å; G613-W641 PolarHBondContact O-NE1 3.42Å; I615-W641 HydrophobicContact CD1-CB 3.82Å; I615-W641 HydrophobicContact CD1-CG 4.28Å; I615-W641 HydrophobicContact CG1-CB 3.86Å; I615-W641 HydrophobicContact CG1-CD2 4.46Å; I615-W641 HydrophobicContact CG1-CG 4.03Å; I615-W641 HydrophobicContact CG2-CD2 3.77Å; I615-W641 HydrophobicContact CG2-CE3 3.93Å; I615-W641 HydrophobicContact CG2-CG 4.14Å; I615-W641 HydrophobicContact CG2-CZ2 4.38Å; I615-W641 HydrophobicContact CG2-CZ3 4.32Å; C637-W641 WeakPolarHBondContact O-CB 3.4Å; C637-W641 PolarHBondContact O-N 3.43Å; G638-W641 WeakPolarHBondContact O-CB 3.5Å; G638-W641 PolarHBondContact O-N 2.62Å; G639-W641 VanDerWaalsContact C-N 3.29Å; G639-W641 PolarHBondContact O-N 2.95Å; W641-A643 VanDerWaalsContact C-N 3.3Å; W641-A643 PolarHBondContact O-N 3.5Å; W641-S644 WeakPolarHBondContact O-CB 3.47Å; W641-S644 PolarHBondContact O-N 3.41Å; W641-S644 VanDerWaalsContact O-N 3.11Å; W641-L645 HydrophobicContact CD2-CD1 4.21Å; W641-L645 HydrophobicContact CD2-CG 4.33Å; W641-L645 HydrophobicContact CG-CD1 4.47Å; W641-L645 HydrophobicContact CH2-CD2 4.19Å; W641-L645 HydrophobicContact CZ2-CD1 3.82Å; W641-L645 HydrophobicContact CZ2-CD2 3.98Å; W641-L645 HydrophobicContact CZ2-CG 4.09Å; W641-L645 WeakPolarHBondContact O-CG 3.48Å; W641-L645 PolarHBondContact O-N 2.97Å |
| 642 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 176.7 | -61.9 | -177.1 | 0 | 0 | 0 | 111.9 | L614 G638 G639 S644 L645 C646 L668 G671 F675 A721 F722 | L614-L642 HydrophobicContact CD1-CD2 4.48Å; G638-L642 WeakPolarHBondContact O-CG 3.31Å; G638-L642 PolarHBondContact O-N 3.08Å; G639-L642 PolarHBondContact O-N 3.29Å; L642-S644 VanDerWaalsContact C-N 3.34Å; L642-L645 HydrophobicContact CD2-CD1 4.44Å; L642-L645 PolarHBondContact O-N 2.77Å; L642-C646 PolarHBondContact O-N 3.28Å; L642-C646 PolarHBondContact O-SG 3.3Å; L642-L668 HydrophobicContact CB-CD1 4.3Å; L642-L668 HydrophobicContact CD2-CD1 4.27Å; L642-G671 VanDerWaalsContact CD2-C 3.49Å; L642-F675 HydrophobicContact CD1-CB 3.65Å; L642-F675 HydrophobicContact CD1-CD1 4.08Å; L642-F675 HydrophobicContact CD1-CD2 4.12Å; L642-F675 HydrophobicContact CD1-CG 3.69Å; L642-A721 HydrophobicContact CB-CB 4.17Å; L642-A721 HydrophobicContact CD1-CB 4.37Å; L642-F722 HydrophobicContact CB-CE2 4.38Å; L642-F722 HydrophobicContact CB-CZ 3.94Å |
| 643 | A | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L575 G639 M640 W641 L645 C646 V647 G705 L709 F722 | L575-A643 HydrophobicContact CD1-CB 4.39Å; L575-A643 HydrophobicContact CD2-CB 3.76Å; G639-A643 WeakPolarHBondContact O-CB 3.44Å; G639-A643 PolarHBondContact O-N 3.37Å; M640-A643 PolarHBondContact O-N 2.76Å; W641-A643 VanDerWaalsContact C-N 3.3Å; W641-A643 PolarHBondContact O-N 3.5Å; A643-L645 PolarHBondContact O-N 3.3Å; A643-C646 WeakPolarHBondContact O-CB 3.48Å; A643-C646 PolarHBondContact O-N 3.26Å; A643-V647 PolarHBondContact O-N 3.08Å; A643-G705 VanDerWaalsContact CB-O 3.32Å; A643-G705 WeakPolarHBondContact CB-O 3.26Å; A643-L709 HydrophobicContact CB-CD1 4.1Å; A643-L709 HydrophobicContact CB-CD2 3.94Å; A643-L709 HydrophobicContact CB-CG 3.77Å; A643-L709 WeakPolarHBondContact O-CD2 3.28Å; A643-F722 HydrophobicContact CB-CE2 4.31Å |
| 644 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.3 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | L571 M640 W641 L642 C646 V647 M648 | L571-S644 WeakPolarHBondContact CA-OG 3.47Å; L571-S644 WeakPolarHBondContact CB-OG 3.44Å; L571-S644 PolarHBondContact O-OG 3.38Å; M640-S644 WeakPolarHBondContact O-CB 3.21Å; M640-S644 PolarHBondContact O-N 3.17Å; M640-S644 PolarHBondContact O-OG 3.5Å; W641-S644 WeakPolarHBondContact O-CB 3.47Å; W641-S644 PolarHBondContact O-N 3.41Å; W641-S644 VanDerWaalsContact O-N 3.11Å; L642-S644 VanDerWaalsContact C-N 3.34Å; S644-C646 VanDerWaalsContact C-N 3.34Å; S644-C646 PolarHBondContact O-N 2.92Å; S644-V647 WeakPolarHBondContact O-CG2 3.27Å; S644-V647 PolarHBondContact O-N 3.16Å; S644-M648 WeakPolarHBondContact O-CB 3.32Å; S644-M648 VanDerWaalsContact O-CG 3.23Å; S644-M648 WeakPolarHBondContact O-CG 3.21Å; S644-M648 PolarHBondContact O-N 2.94Å |
| 645 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 174 | -71 | 173.8 | 0 | 0 | 0 | 112.8 | M601 W641 L642 A643 M648 C649 Y664 L667 L668 | M601-L645 HydrophobicContact CE-CD2 3.72Å; M601-L645 HydrophobicContact CE-CG 4.17Å; W641-L645 HydrophobicContact CD2-CD1 4.21Å; W641-L645 HydrophobicContact CD2-CG 4.33Å; W641-L645 HydrophobicContact CG-CD1 4.47Å; W641-L645 HydrophobicContact CH2-CD2 4.19Å; W641-L645 HydrophobicContact CZ2-CD1 3.82Å; W641-L645 HydrophobicContact CZ2-CD2 3.98Å; W641-L645 HydrophobicContact CZ2-CG 4.09Å; W641-L645 WeakPolarHBondContact O-CG 3.48Å; W641-L645 PolarHBondContact O-N 2.97Å; L642-L645 HydrophobicContact CD2-CD1 4.44Å; L642-L645 PolarHBondContact O-N 2.77Å; A643-L645 PolarHBondContact O-N 3.3Å; L645-M648 PolarHBondContact O-N 3.26Å; L645-C649 PolarHBondContact O-N 3.43Å; L645-C649 PolarHBondContact O-SG 3.34Å; L645-Y664 HydrophobicContact CD2-CD1 3.72Å; L645-Y664 HydrophobicContact CD2-CG 4.44Å; L645-L667 HydrophobicContact CD1-CB 3.93Å; L645-L667 HydrophobicContact CD2-CB 3.93Å; L645-L667 HydrophobicContact CD2-CD1 4.21Å; L645-L668 HydrophobicContact CB-CB 4.12Å; L645-L668 HydrophobicContact CB-CD1 3.97Å; L645-L668 HydrophobicContact CD1-CB 4.34Å |
| 646 | C | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 174 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | L642 A643 S644 C649 K650 L709 Y719 | L642-C646 PolarHBondContact O-N 3.28Å; L642-C646 PolarHBondContact O-SG 3.3Å; A643-C646 WeakPolarHBondContact O-CB 3.48Å; A643-C646 PolarHBondContact O-N 3.26Å; S644-C646 VanDerWaalsContact C-N 3.34Å; S644-C646 PolarHBondContact O-N 2.92Å; C646-C649 WeakPolarHBondContact O-CB 3.36Å; C646-C649 PolarHBondContact O-N 2.76Å; C646-K650 PolarHBondContact O-N 3.16Å; C646-K650 VanDerWaalsContact O-N 3.08Å; C646-L709 HydrophobicContact CB-CD1 4.25Å; C646-L709 HydrophobicContact CB-CD2 3.84Å; C646-Y719 HydrophobicContact CB-CD2 3.79Å; C646-Y719 HydrophobicContact CB-CE2 4.26Å; C646-Y719 HydrophobicContact CB-CG 3.97Å; C646-Y719 WeakPolarHBondContact SG-CB 3.21Å |
| 647 | V | 97 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.8 | -34.8 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | V574 L575 Y578 A643 S644 C649 K650 M651 L709 L714 | V574-V647 HydrophobicContact CG1-CG2 3.55Å; L575-V647 HydrophobicContact CD2-CG1 4.12Å; L575-V647 HydrophobicContact CD2-CG2 4.15Å; Y578-V647 HydrophobicContact CD1-CB 3.85Å; Y578-V647 HydrophobicContact CD1-CG1 3.44Å; Y578-V647 VanDerWaalsContact CD1-CG1 3.44Å; Y578-V647 HydrophobicContact CD2-CB 4.44Å; Y578-V647 HydrophobicContact CE1-CG1 4.19Å; Y578-V647 HydrophobicContact CG-CB 3.73Å; Y578-V647 HydrophobicContact CG-CG1 3.86Å; A643-V647 PolarHBondContact O-N 3.08Å; S644-V647 WeakPolarHBondContact O-CG2 3.27Å; S644-V647 PolarHBondContact O-N 3.16Å; V647-C649 PolarHBondContact O-N 2.98Å; V647-K650 CarbonylContact O-C 3.55Å; V647-K650 WeakPolarHBondContact O-CB 3.47Å; V647-K650 PolarHBondContact O-N 2.7Å; V647-K650 VanDerWaalsContact O-N 3.11Å; V647-M651 HydrophobicContact CG2-CE 4.42Å; V647-M651 WeakPolarHBondContact O-CB 3.39Å; V647-M651 WeakPolarHBondContact O-CG 3.46Å; V647-M651 PolarHBondContact O-N 2.95Å; V647-L709 HydrophobicContact CG1-CD2 3.8Å; V647-L714 HydrophobicContact CG1-CD1 3.72Å |
| 648 | M | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 173.7 | -71.9 | -57.6 | -66.9 | 0 | 0 | 111.7 | V574 W594 C597 Q598 M601 S644 L645 K650 M651 A652 Y664 | V574-M648 HydrophobicContact CG1-CG 3.91Å; V574-M648 HydrophobicContact CG1-SD 3.68Å; W594-M648 HydrophobicContact CE3-CE 4.29Å; W594-M648 HydrophobicContact CH2-CE 3.8Å; W594-M648 HydrophobicContact CZ3-CE 3.51Å; W594-M648 HydrophobicContact CZ3-SD 4.26Å; C597-M648 HydrophobicContact CB-CE 4.2Å; C597-M648 HydrophobicContact CB-SD 3.87Å; Q598-M648 HydrophobicContact CG-CE 4.03Å; M601-M648 HydrophobicContact CE-CG 4.18Å; M601-M648 HydrophobicContact CG-CE 4.15Å; M601-M648 HydrophobicContact CG-CG 3.81Å; M601-M648 HydrophobicContact CG-SD 3.89Å; M601-M648 HydrophobicContact SD-CG 4.22Å; S644-M648 WeakPolarHBondContact O-CB 3.32Å; S644-M648 VanDerWaalsContact O-CG 3.23Å; S644-M648 WeakPolarHBondContact O-CG 3.21Å; S644-M648 PolarHBondContact O-N 2.94Å; L645-M648 PolarHBondContact O-N 3.26Å; M648-K650 VanDerWaalsContact C-N 3.29Å; M648-K650 PolarHBondContact O-N 2.59Å; M648-M651 HydrophobicContact CE-CE 4.43Å; M648-M651 HydrophobicContact CG-CE 4.27Å; M648-M651 PolarHBondContact O-N 3.49Å; M648-M651 HydrophobicContact SD-CE 3.19Å; M648-M651 WeakPolarHBondContact SD-CE 3.22Å; M648-A652 WeakPolarHBondContact O-CB 3.47Å; M648-A652 PolarHBondContact O-N 3.06Å; M648-Y664 HydrophobicContact CB-CD1 4.24Å; M648-Y664 HydrophobicContact CB-CD2 3.66Å; M648-Y664 HydrophobicContact CB-CE2 3.98Å; M648-Y664 HydrophobicContact CB-CG 3.81Å; M648-Y664 HydrophobicContact CE-CD2 4.29Å; M648-Y664 HydrophobicContact CE-CE1 4.43Å; M648-Y664 HydrophobicContact CE-CE2 3.42Å; M648-Y664 VanDerWaalsContact CE-CE2 3.42Å; M648-Y664 WeakPolarHBondContact CE-OH 3.39Å; M648-Y664 HydrophobicContact CG-CE2 4.43Å |
| 649 | C | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 171.9 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | L645 C646 V647 R653 Y661 Y664 K665 Y719 | L645-C649 PolarHBondContact O-N 3.43Å; L645-C649 PolarHBondContact O-SG 3.34Å; C646-C649 WeakPolarHBondContact O-CB 3.36Å; C646-C649 PolarHBondContact O-N 2.76Å; V647-C649 PolarHBondContact O-N 2.98Å; C649-R653 WeakPolarHBondContact O-CG 3.33Å; C649-R653 PolarHBondContact O-N 3.07Å; C649-Y661 HydrophobicContact CB-CD2 4.08Å; C649-Y661 HydrophobicContact CB-CE2 4.15Å; C649-Y661 WeakPolarHBondContact O-CD2 3.37Å; C649-Y664 VanDerWaalsContact SG-C 3.58Å; C649-K665 PolarHBondContact SG-N 2.98Å; C649-K665 VanDerWaalsContact SG-N 3.45Å; C649-Y719 HydrophobicContact CB-CE1 3.73Å |
| 650 | K | 96.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.9 | -46.2 | 179.6 | -175.8 | 63.8 | 173.6 | -173.1 | 0 | 112.2 | Y578 C646 V647 M648 R653 L654 L714 Y719 | Y578-K650 HydrophobicContact CE2-CB 4.18Å; Y578-K650 HydrophobicContact CE2-CG 3.58Å; Y578-K650 VanDerWaalsContact OH-CG 3.31Å; Y578-K650 WeakPolarHBondContact OH-CG 3.12Å; C646-K650 PolarHBondContact O-N 3.16Å; C646-K650 VanDerWaalsContact O-N 3.08Å; V647-K650 CarbonylContact O-C 3.55Å; V647-K650 WeakPolarHBondContact O-CB 3.47Å; V647-K650 PolarHBondContact O-N 2.7Å; V647-K650 VanDerWaalsContact O-N 3.11Å; M648-K650 VanDerWaalsContact C-N 3.29Å; M648-K650 PolarHBondContact O-N 2.59Å; K650-R653 WeakPolarHBondContact O-CB 3.41Å; K650-R653 PolarHBondContact O-N 2.83Å; K650-L654 HydrophobicContact CG-CD1 4.22Å; K650-L654 WeakPolarHBondContact O-CG 3.33Å; K650-L654 PolarHBondContact O-N 3.45Å; K650-L654 VanDerWaalsContact O-N 3.12Å; K650-L714 HydrophobicContact CB-CD2 4.47Å; K650-L714 HydrophobicContact CD-CD2 4.31Å; K650-L714 HydrophobicContact CG-CD2 4.11Å; K650-Y719 PolarHBondContact N-OH 2.91Å |
| 651 | M | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.8 | -70.2 | -170.8 | -60.3 | 0 | 0 | 111.5 | V574 V577 Y578 L590 W594 C597 V647 M648 R653 L654 V655 | V574-M651 HydrophobicContact CG1-CE 4.05Å; V577-M651 HydrophobicContact CG1-SD 4.35Å; Y578-M651 HydrophobicContact CD2-CG 3.49Å; Y578-M651 VanDerWaalsContact CD2-CG 3.49Å; Y578-M651 HydrophobicContact CD2-SD 4.13Å; Y578-M651 HydrophobicContact CE2-CG 4.23Å; Y578-M651 HydrophobicContact CG-CG 4.33Å; L590-M651 HydrophobicContact CD1-CB 4.36Å; L590-M651 HydrophobicContact CD1-CG 3.77Å; L590-M651 HydrophobicContact CD1-SD 3.62Å; W594-M651 HydrophobicContact CE3-CB 3.78Å; W594-M651 HydrophobicContact CE3-CE 4.49Å; W594-M651 HydrophobicContact CZ3-CB 3.57Å; W594-M651 HydrophobicContact CZ3-CE 4.36Å; C597-M651 HydrophobicContact CB-CE 4.24Å; V647-M651 HydrophobicContact CG2-CE 4.42Å; V647-M651 WeakPolarHBondContact O-CB 3.39Å; V647-M651 WeakPolarHBondContact O-CG 3.46Å; V647-M651 PolarHBondContact O-N 2.95Å; M648-M651 HydrophobicContact CE-CE 4.43Å; M648-M651 HydrophobicContact CG-CE 4.27Å; M648-M651 PolarHBondContact O-N 3.49Å; M648-M651 HydrophobicContact SD-CE 3.19Å; M648-M651 WeakPolarHBondContact SD-CE 3.22Å; M651-R653 PolarHBondContact O-N 2.84Å; M651-L654 WeakPolarHBondContact O-CA 3.25Å; M651-L654 WeakPolarHBondContact O-CB 3.37Å; M651-L654 PolarHBondContact O-N 2.86Å; M651-V655 WeakPolarHBondContact O-CG2 3.5Å; M651-V655 PolarHBondContact O-N 3.12Å |
| 652 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.9 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W594 M648 D656 S657 A660 | W594-A652 HydrophobicContact CH2-CB 3.75Å; W594-A652 HydrophobicContact CZ2-CB 4.4Å; W594-A652 HydrophobicContact CZ3-CB 4.45Å; M648-A652 WeakPolarHBondContact O-CB 3.47Å; M648-A652 PolarHBondContact O-N 3.06Å; A652-D656 PolarHBondContact O-N 3.33Å; A652-S657 PolarHBondContact O-N 2.91Å; A652-A660 HydrophobicContact CB-CB 4.12Å |
| 653 | R | 96.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 49.4 Ų | 49.4 | 43% | 0.426 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.2 | -36.7 | 173.9 | -71.4 | -73.6 | -179.7 | -167.1 | -9.4 | 113 | C649 K650 M651 V655 D656 E658 Y661 | C649-R653 WeakPolarHBondContact O-CG 3.33Å; C649-R653 PolarHBondContact O-N 3.07Å; K650-R653 WeakPolarHBondContact O-CB 3.41Å; K650-R653 PolarHBondContact O-N 2.83Å; M651-R653 PolarHBondContact O-N 2.84Å; R653-V655 VanDerWaalsContact C-N 3.34Å; R653-D656 PolarHBondContact O-N 3.18Å; R653-E658 IonicContact CZ-OE2 2.79Å; R653-E658 IonicContact NH1-OE2 3.51Å; R653-E658 PolarHBondContact NH1-OE2 3.47Å; R653-E658 IonicContact NH2-OE1 3.14Å; R653-E658 PolarHBondContact NH2-OE1 3.42Å; R653-E658 IonicContact NH2-OE2 3.31Å; R653-E658 PolarHBondContact NH2-OE2 3.48Å; R653-Y661 HydrophobicContact CG-CD2 3.62Å; R653-Y661 HydrophobicContact CG-CE2 3.95Å; R653-Y661 HydrophobicContact CG-CG 4.29Å |
| 654 | L | 97 | Very high | 97.6 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 39% | 0.393 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.7 | -26.6 | 180 | -69.6 | 166.2 | 0 | 0 | 0 | 113.2 | Y578 F581 L590 K650 M651 | Y578-L654 HydrophobicContact CE2-CD1 4.04Å; F581-L654 HydrophobicContact CD1-CD1 4.32Å; F581-L654 HydrophobicContact CE1-CD1 3.49Å; F581-L654 VanDerWaalsContact CE1-CD1 3.49Å; F581-L654 HydrophobicContact CZ-CD1 4.02Å; L590-L654 HydrophobicContact CD2-CB 3.88Å; L590-L654 HydrophobicContact CD2-CD1 3.97Å; K650-L654 HydrophobicContact CG-CD1 4.22Å; K650-L654 WeakPolarHBondContact O-CG 3.33Å; K650-L654 PolarHBondContact O-N 3.45Å; K650-L654 VanDerWaalsContact O-N 3.12Å; M651-L654 WeakPolarHBondContact O-CA 3.25Å; M651-L654 WeakPolarHBondContact O-CB 3.37Å; M651-L654 PolarHBondContact O-N 2.86Å |
| 655 | V | 97.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 15.1 | 176 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | L590 W594 M651 R653 S657 | L590-V655 HydrophobicContact CD2-CG1 4.36Å; L590-V655 HydrophobicContact CG-CG1 4.35Å; W594-V655 HydrophobicContact CB-CG1 4.5Å; W594-V655 HydrophobicContact CD2-CG2 3.75Å; W594-V655 HydrophobicContact CE3-CG2 4.28Å; W594-V655 HydrophobicContact CG-CG1 4.34Å; W594-V655 HydrophobicContact CG-CG2 4.08Å; W594-V655 HydrophobicContact CZ2-CG2 4Å; M651-V655 WeakPolarHBondContact O-CG2 3.5Å; M651-V655 PolarHBondContact O-N 3.12Å; R653-V655 VanDerWaalsContact C-N 3.34Å; V655-S657 VanDerWaalsContact C-N 3.27Å; V655-S657 PolarHBondContact O-N 3.44Å |
| 656 | D | 97.3 | Very high | 97.5 | Very high | 152 Ų | 152 | 57.3 Ų | 57.3 | 81% | 0.813 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 32.6 | 177.9 | -61.5 | -47.8 | 0 | 0 | 0 | 115.2 | A652 R653 E658 | A652-D656 PolarHBondContact O-N 3.33Å; R653-D656 PolarHBondContact O-N 3.18Å; D656-E658 PolarHBondContact O-N 3.14Å |
| 657 | S | 97.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 57.8 Ų | 57.8 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | trans | -96.4 | 85.7 | 176 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | A652 V655 E659 A660 Y661 | A652-S657 PolarHBondContact O-N 2.91Å; V655-S657 VanDerWaalsContact C-N 3.27Å; V655-S657 PolarHBondContact O-N 3.44Å; S657-E659 PolarHBondContact O-N 3.04Å; S657-A660 VanDerWaalsContact OG-CB 3.25Å; S657-A660 WeakPolarHBondContact OG-CB 3.49Å; S657-Y661 PolarHBondContact O-N 3.14Å | ||
| 658 | E | 97.6 | Very high | 97.5 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 179.9 | -179.5 | 62.9 | -157 | 0 | 0 | 113 | R653 D656 Y661 R662 | R653-E658 IonicContact CZ-OE2 2.79Å; R653-E658 IonicContact NH1-OE2 3.51Å; R653-E658 PolarHBondContact NH1-OE2 3.47Å; R653-E658 IonicContact NH2-OE1 3.14Å; R653-E658 PolarHBondContact NH2-OE1 3.42Å; R653-E658 IonicContact NH2-OE2 3.31Å; R653-E658 PolarHBondContact NH2-OE2 3.48Å; D656-E658 PolarHBondContact O-N 3.14Å; E658-Y661 PolarHBondContact O-N 2.87Å; E658-R662 WeakPolarHBondContact O-CG 3.43Å; E658-R662 PolarHBondContact O-N 2.86Å; E658-R662 IonicContact OE1-CZ 3.49Å; E658-R662 IonicContact OE1-NE 3.35Å; E658-R662 PolarHBondContact OE1-NE 3.15Å; E658-R662 IonicContact OE1-NH2 3.15Å; E658-R662 PolarHBondContact OE1-NH2 3.06Å |
| 659 | E | 97.9 | Very high | 97.4 | Very high | 168 Ų | 168 | 63.6 Ų | 63.6 | 79% | 0.785 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.7 | -50.2 | 177.3 | -176.7 | -177.7 | 170.4 | 0 | 0 | 111.3 | S657 Y661 R662 R663 | S657-E659 PolarHBondContact O-N 3.04Å; E659-Y661 VanDerWaalsContact C-N 3.31Å; E659-Y661 PolarHBondContact O-N 3.45Å; E659-R662 PolarHBondContact O-N 3.31Å; E659-R663 PolarHBondContact O-N 2.9Å; E659-R663 VanDerWaalsContact O-N 3.08Å |
| 660 | A | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | W594 A652 S657 R662 R663 Y664 | W594-A660 HydrophobicContact CH2-CB 4.11Å; W594-A660 HydrophobicContact CZ2-CB 3.9Å; A652-A660 HydrophobicContact CB-CB 4.12Å; S657-A660 VanDerWaalsContact OG-CB 3.25Å; S657-A660 WeakPolarHBondContact OG-CB 3.49Å; A660-R662 PolarHBondContact O-N 2.93Å; A660-R663 PolarHBondContact O-N 3.12Å; A660-Y664 HydrophobicContact CB-CD2 4.26Å; A660-Y664 HydrophobicContact CB-CE2 4.02Å; A660-Y664 WeakPolarHBondContact O-CD2 3.16Å; A660-Y664 PolarHBondContact O-N 3.16Å |
| 661 | Y | 97.9 | Very high | 97.5 | Very high | 37 Ų | 37 | 64 Ų | 64 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56 | -49.1 | 175.5 | 171.8 | -95 | 0 | 0 | 0 | 111.8 | C649 R653 S657 E658 E659 R663 K665 | C649-Y661 HydrophobicContact CB-CD2 4.08Å; C649-Y661 HydrophobicContact CB-CE2 4.15Å; C649-Y661 WeakPolarHBondContact O-CD2 3.37Å; R653-Y661 HydrophobicContact CG-CD2 3.62Å; R653-Y661 HydrophobicContact CG-CE2 3.95Å; R653-Y661 HydrophobicContact CG-CG 4.29Å; S657-Y661 PolarHBondContact O-N 3.14Å; E658-Y661 PolarHBondContact O-N 2.87Å; E659-Y661 VanDerWaalsContact C-N 3.31Å; E659-Y661 PolarHBondContact O-N 3.45Å; Y661-R663 VanDerWaalsContact C-N 3.35Å; Y661-R663 PolarHBondContact O-N 3.3Å; Y661-K665 HydrophobicContact CE1-CD 3.81Å; Y661-K665 WeakPolarHBondContact O-CB 3.43Å; Y661-K665 PolarHBondContact O-N 3.32Å |
| 662 | R | 97.9 | Very high | 97.4 | Very high | 166 Ų | 166 | 64.8 Ų | 64.8 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | -179.5 | -71.1 | 176 | -171 | 176.8 | 3 | 111.8 | E658 E659 A660 K665 D666 | E658-R662 WeakPolarHBondContact O-CG 3.43Å; E658-R662 PolarHBondContact O-N 2.86Å; E658-R662 IonicContact OE1-CZ 3.49Å; E658-R662 IonicContact OE1-NE 3.35Å; E658-R662 PolarHBondContact OE1-NE 3.15Å; E658-R662 IonicContact OE1-NH2 3.15Å; E658-R662 PolarHBondContact OE1-NH2 3.06Å; E659-R662 PolarHBondContact O-N 3.31Å; A660-R662 PolarHBondContact O-N 2.93Å; R662-K665 PolarHBondContact O-N 2.84Å; R662-D666 PolarHBondContact O-N 2.6Å |
| 663 | R | 98 | Very high | 97.4 | Very high | 105 Ų | 105 | 67.7 Ų | 67.7 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -52.2 | 177.9 | -177.4 | -179.9 | -179.6 | -171.2 | 0.9 | 111.9 | E602 E659 A660 Y661 K665 D666 L667 | E602-R663 VanDerWaalsContact CD-NH2 3.27Å; E602-R663 IonicContact OE1-NH2 3.47Å; E602-R663 PolarHBondContact OE1-NH2 2.89Å; E602-R663 IonicContact OE2-CZ 3.72Å; E602-R663 IonicContact OE2-NH1 3.79Å; E602-R663 PolarHBondContact OE2-NH1 3.37Å; E602-R663 IonicContact OE2-NH2 2.57Å; E602-R663 PolarHBondContact OE2-NH2 3.04Å; E659-R663 PolarHBondContact O-N 2.9Å; E659-R663 VanDerWaalsContact O-N 3.08Å; A660-R663 PolarHBondContact O-N 3.12Å; Y661-R663 VanDerWaalsContact C-N 3.35Å; Y661-R663 PolarHBondContact O-N 3.3Å; R663-K665 VanDerWaalsContact C-N 3.31Å; R663-K665 PolarHBondContact O-N 3.27Å; R663-D666 PolarHBondContact O-N 2.73Å; R663-L667 HydrophobicContact CG-CD1 4.39Å; R663-L667 PolarHBondContact O-N 2.84Å |
| 664 | Y | 97.9 | Very high | 97.5 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.6 | -30.8 | -178.6 | -65.7 | -53.6 | 0 | 0 | 0 | 112.4 | W594 M601 L645 M648 C649 A660 L667 L668 | W594-Y664 HydrophobicContact CH2-CE2 4.26Å; M601-Y664 HydrophobicContact CB-CE1 4.23Å; L645-Y664 HydrophobicContact CD2-CD1 3.72Å; L645-Y664 HydrophobicContact CD2-CG 4.44Å; M648-Y664 HydrophobicContact CB-CD1 4.24Å; M648-Y664 HydrophobicContact CB-CD2 3.66Å; M648-Y664 HydrophobicContact CB-CE2 3.98Å; M648-Y664 HydrophobicContact CB-CG 3.81Å; M648-Y664 HydrophobicContact CE-CD2 4.29Å; M648-Y664 HydrophobicContact CE-CE1 4.43Å; M648-Y664 HydrophobicContact CE-CE2 3.42Å; M648-Y664 VanDerWaalsContact CE-CE2 3.42Å; M648-Y664 WeakPolarHBondContact CE-OH 3.39Å; M648-Y664 HydrophobicContact CG-CE2 4.43Å; C649-Y664 VanDerWaalsContact SG-C 3.58Å; A660-Y664 HydrophobicContact CB-CD2 4.26Å; A660-Y664 HydrophobicContact CB-CE2 4.02Å; A660-Y664 WeakPolarHBondContact O-CD2 3.16Å; A660-Y664 PolarHBondContact O-N 3.16Å; Y664-L667 HydrophobicContact CD1-CD1 4.26Å; Y664-L668 VanDerWaalsContact O-CB 3.23Å; Y664-L668 WeakPolarHBondContact O-CB 3.26Å; Y664-L668 PolarHBondContact O-N 3.48Å |
| 665 | K | 96.8 | Very high | 97.5 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 174.5 | -173.6 | -179.8 | -178.4 | -178.1 | 0 | 112.1 | C649 Y661 R662 R663 L668 E669 | C649-K665 PolarHBondContact SG-N 2.98Å; C649-K665 VanDerWaalsContact SG-N 3.45Å; Y661-K665 HydrophobicContact CE1-CD 3.81Å; Y661-K665 WeakPolarHBondContact O-CB 3.43Å; Y661-K665 PolarHBondContact O-N 3.32Å; R662-K665 PolarHBondContact O-N 2.84Å; R663-K665 VanDerWaalsContact C-N 3.31Å; R663-K665 PolarHBondContact O-N 3.27Å; K665-L668 WeakPolarHBondContact O-CB 3.33Å; K665-L668 PolarHBondContact O-N 3.04Å; K665-E669 WeakPolarHBondContact CE-OE1 3.39Å; K665-E669 WeakPolarHBondContact O-CG 3.38Å; K665-E669 PolarHBondContact O-N 3.36Å |
| 666 | D | 97.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 59.9 Ų | 59.9 | 43% | 0.428 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 175.3 | 173.2 | 83.6 | 0 | 0 | 0 | 111.7 | R662 R663 L668 E669 R670 | R662-D666 PolarHBondContact O-N 2.6Å; R663-D666 PolarHBondContact O-N 2.73Å; D666-L668 VanDerWaalsContact C-N 3.29Å; D666-L668 PolarHBondContact O-N 3.1Å; D666-E669 PolarHBondContact O-N 3.31Å; D666-R670 PolarHBondContact O-N 3.49Å; D666-R670 VanDerWaalsContact O-N 3.09Å; D666-R670 IonicContact OD1-NE 3.66Å; D666-R670 IonicContact OD2-CZ 3.43Å; D666-R670 IonicContact OD2-NE 3.05Å; D666-R670 PolarHBondContact OD2-NE 3.22Å; D666-R670 IonicContact OD2-NH2 2.67Å; D666-R670 PolarHBondContact OD2-NH2 2.67Å |
| 667 | L | 97.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 175.5 | -76 | 162.5 | 0 | 0 | 0 | 111.6 | L605 L645 R663 Y664 G671 | L605-L667 HydrophobicContact CD2-CD1 3.85Å; L605-L667 HydrophobicContact CD2-CD2 3.95Å; L645-L667 HydrophobicContact CD1-CB 3.93Å; L645-L667 HydrophobicContact CD2-CB 3.93Å; L645-L667 HydrophobicContact CD2-CD1 4.21Å; R663-L667 HydrophobicContact CG-CD1 4.39Å; R663-L667 PolarHBondContact O-N 2.84Å; Y664-L667 HydrophobicContact CD1-CD1 4.26Å; L667-G671 PolarHBondContact O-N 2.62Å |
| 668 | L | 97.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 179.6 | -179.4 | 60.6 | 0 | 0 | 0 | 111.9 | L642 L645 Y664 K665 D666 S672 Y719 A721 | L642-L668 HydrophobicContact CB-CD1 4.3Å; L642-L668 HydrophobicContact CD2-CD1 4.27Å; L645-L668 HydrophobicContact CB-CB 4.12Å; L645-L668 HydrophobicContact CB-CD1 3.97Å; L645-L668 HydrophobicContact CD1-CB 4.34Å; Y664-L668 VanDerWaalsContact O-CB 3.23Å; Y664-L668 WeakPolarHBondContact O-CB 3.26Å; Y664-L668 PolarHBondContact O-N 3.48Å; K665-L668 WeakPolarHBondContact O-CB 3.33Å; K665-L668 PolarHBondContact O-N 3.04Å; D666-L668 VanDerWaalsContact C-N 3.29Å; D666-L668 PolarHBondContact O-N 3.1Å; L668-S672 WeakPolarHBondContact O-CB 3.46Å; L668-S672 PolarHBondContact O-N 2.91Å; L668-S672 PolarHBondContact O-OG 2.57Å; L668-Y719 HydrophobicContact CD2-CD1 3.65Å; L668-Y719 HydrophobicContact CD2-CE1 4.49Å; L668-Y719 HydrophobicContact CD2-CG 4.17Å; L668-A721 HydrophobicContact CD1-CB 4Å |
| 669 | E | 96.1 | Very high | 97.5 | Very high | 114 Ų | 114 | 59.5 Ų | 59.5 | 53% | 0.533 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 180 | -74.4 | 175.1 | -179.6 | 0 | 0 | 111.5 | K665 D666 A673 | K665-E669 WeakPolarHBondContact CE-OE1 3.39Å; K665-E669 WeakPolarHBondContact O-CG 3.38Å; K665-E669 PolarHBondContact O-N 3.36Å; D666-E669 PolarHBondContact O-N 3.31Å; E669-A673 PolarHBondContact O-N 3.2Å |
| 670 | R | 97.5 | Very high | 97.5 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 32% | 0.317 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.5 | -49.7 | 177.9 | -64.6 | -172.1 | -73.7 | 106.7 | 2.4 | 111.8 | G611 D612 G613 D666 S672 A673 A674 | G611-R670 PolarHBondContact O-NH1 3.01Å; D612-R670 CarbonylContact O-C 3.28Å; D612-R670 WeakPolarHBondContact O-CB 3.34Å; G613-R670 VanDerWaalsContact N-NH1 3.14Å; D666-R670 PolarHBondContact O-N 3.49Å; D666-R670 VanDerWaalsContact O-N 3.09Å; D666-R670 IonicContact OD1-NE 3.66Å; D666-R670 IonicContact OD2-CZ 3.43Å; D666-R670 IonicContact OD2-NE 3.05Å; D666-R670 PolarHBondContact OD2-NE 3.22Å; D666-R670 IonicContact OD2-NH2 2.67Å; D666-R670 PolarHBondContact OD2-NH2 2.67Å; R670-S672 VanDerWaalsContact C-N 3.34Å; R670-S672 PolarHBondContact O-N 3.03Å; R670-A673 WeakPolarHBondContact O-CB 3.47Å; R670-A673 PolarHBondContact O-N 2.87Å; R670-A673 VanDerWaalsContact O-N 3.13Å; R670-A674 PolarHBondContact O-N 2.91Å |
| 671 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D612 G613 L642 L667 A673 A674 F675 | D612-G671 PolarHBondContact O-N 3.47Å; G613-G671 WeakPolarHBondContact O-CA 3.41Å; L642-G671 VanDerWaalsContact CD2-C 3.49Å; L667-G671 PolarHBondContact O-N 2.62Å; G671-A673 VanDerWaalsContact C-N 3.35Å; G671-A674 PolarHBondContact O-N 2.78Å; G671-F675 VanDerWaalsContact O-CB 3.27Å; G671-F675 WeakPolarHBondContact O-CB 3.4Å; G671-F675 PolarHBondContact O-N 2.96Å |
| 672 | S | 96.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 56 Ų | 56 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | L668 R670 D676 A721 | L668-S672 WeakPolarHBondContact O-CB 3.46Å; L668-S672 PolarHBondContact O-N 2.91Å; L668-S672 PolarHBondContact O-OG 2.57Å; R670-S672 VanDerWaalsContact C-N 3.34Å; R670-S672 PolarHBondContact O-N 3.03Å; S672-D676 WeakPolarHBondContact O-CB 3.35Å; S672-D676 PolarHBondContact O-N 3.07Å; S672-D676 VanDerWaalsContact O-N 3.12Å; S672-A721 WeakPolarHBondContact OG-CA 3.24Å; S672-A721 WeakPolarHBondContact OG-CB 3.36Å |
| 673 | A | 96.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 51% | 0.512 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E669 R670 G671 K677 | E669-A673 PolarHBondContact O-N 3.2Å; R670-A673 WeakPolarHBondContact O-CB 3.47Å; R670-A673 PolarHBondContact O-N 2.87Å; R670-A673 VanDerWaalsContact O-N 3.13Å; G671-A673 VanDerWaalsContact C-N 3.35Å; A673-K677 VanDerWaalsContact O-CB 3.27Å; A673-K677 WeakPolarHBondContact O-CB 3.45Å; A673-K677 PolarHBondContact O-N 3.44Å; A673-K677 VanDerWaalsContact O-N 3.07Å |
| 674 | A | 98.1 | Very high | 97.4 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D612 L614 R670 G671 D676 K677 L678 | D612-A674 HydrophobicContact CB-CB 4.25Å; D612-A674 WeakPolarHBondContact OD2-CB 3.4Å; L614-A674 HydrophobicContact CB-CB 4.01Å; L614-A674 HydrophobicContact CD2-CB 4.04Å; R670-A674 PolarHBondContact O-N 2.91Å; G671-A674 PolarHBondContact O-N 2.78Å; A674-D676 VanDerWaalsContact C-N 3.32Å; A674-D676 PolarHBondContact O-N 2.9Å; A674-K677 PolarHBondContact O-N 3Å; A674-L678 WeakPolarHBondContact O-CB 3.23Å; A674-L678 VanDerWaalsContact O-CG 3.27Å; A674-L678 WeakPolarHBondContact O-CG 3.48Å; A674-L678 PolarHBondContact O-N 3.28Å |
| 675 | F | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | -179.1 | -175.6 | -92.7 | 0 | 0 | 0 | 111.3 | L614 G639 L642 G671 L679 Y685 F722 | L614-F675 HydrophobicContact CD1-CB 4.37Å; L614-F675 HydrophobicContact CD1-CD2 4.17Å; L614-F675 HydrophobicContact CD2-CB 3.92Å; L614-F675 HydrophobicContact CD2-CD2 4.27Å; G639-F675 VanDerWaalsContact N-CE2 3.34Å; L642-F675 HydrophobicContact CD1-CB 3.65Å; L642-F675 HydrophobicContact CD1-CD1 4.08Å; L642-F675 HydrophobicContact CD1-CD2 4.12Å; L642-F675 HydrophobicContact CD1-CG 3.69Å; G671-F675 VanDerWaalsContact O-CB 3.27Å; G671-F675 WeakPolarHBondContact O-CB 3.4Å; G671-F675 PolarHBondContact O-N 2.96Å; F675-L679 HydrophobicContact CD2-CD1 3.52Å; F675-L679 HydrophobicContact CE2-CD1 3.38Å; F675-L679 HydrophobicContact CG-CD1 4.2Å; F675-L679 HydrophobicContact CZ-CD1 3.99Å; F675-L679 WeakPolarHBondContact O-CB 3.48Å; F675-L679 PolarHBondContact O-N 3.36Å; F675-Y685 HydrophobicContact CD1-CD1 4.21Å; F675-Y685 AromaticContact CD1-CE1 3.93Å; F675-Y685 HydrophobicContact CD1-CE1 3.93Å; F675-Y685 AromaticContact CE1-CD1 3.53Å; F675-Y685 HydrophobicContact CE1-CD1 3.53Å; F675-Y685 AromaticContact CE1-CE1 3.47Å; F675-Y685 HydrophobicContact CE1-CE1 3.47Å; F675-Y685 VanDerWaalsContact CE1-CE1 3.47Å; F675-Y685 HydrophobicContact CE1-CG 4.11Å; F675-Y685 AromaticContact CE1-CZ 3.99Å; F675-Y685 HydrophobicContact CZ-CD1 4.16Å; F675-Y685 HydrophobicContact CZ-CE1 4.48Å; F675-Y685 HydrophobicContact CZ-CG 4.41Å; F675-F722 HydrophobicContact CE1-CE1 4.42Å |
| 676 | D | 96.3 | Very high | 97.5 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -48 | 177.4 | -160.9 | 68 | 0 | 0 | 0 | 112 | S672 A674 L678 W680 K726 | S672-D676 WeakPolarHBondContact O-CB 3.35Å; S672-D676 PolarHBondContact O-N 3.07Å; S672-D676 VanDerWaalsContact O-N 3.12Å; A674-D676 VanDerWaalsContact C-N 3.32Å; A674-D676 PolarHBondContact O-N 2.9Å; D676-L678 VanDerWaalsContact C-N 3.33Å; D676-L678 PolarHBondContact O-N 3.37Å; D676-W680 WeakPolarHBondContact O-CB 3.2Å; D676-W680 PolarHBondContact O-N 2.98Å; D676-K726 WeakPolarHBondContact OD1-CD 3.09Å; D676-K726 IonicContact OD1-NZ 2.9Å; D676-K726 PolarHBondContact OD1-NZ 2.85Å; D676-K726 IonicContact OD2-NZ 2.63Å; D676-K726 PolarHBondContact OD2-NZ 3.18Å |
| 677 | K | 97 | Very high | 97.5 | Very high | 177 Ų | 177 | 44.4 Ų | 44.4 | 77% | 0.77 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.4 | -39.6 | -179 | 179 | -174.2 | 172.2 | -165.6 | 0 | 112.6 | A673 A674 | A673-K677 VanDerWaalsContact O-CB 3.27Å; A673-K677 WeakPolarHBondContact O-CB 3.45Å; A673-K677 PolarHBondContact O-N 3.44Å; A673-K677 VanDerWaalsContact O-N 3.07Å; A674-K677 PolarHBondContact O-N 3Å |
| 678 | L | 97.7 | Very high | 97.5 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -87.9 | -34.8 | -171.2 | -67 | 173 | 0 | 0 | 0 | 113.1 | L614 P633 A674 D676 | L614-L678 HydrophobicContact CD2-CD1 4.4Å; P633-L678 HydrophobicContact CB-CD1 4.28Å; P633-L678 HydrophobicContact CG-CD1 3.87Å; A674-L678 WeakPolarHBondContact O-CB 3.23Å; A674-L678 VanDerWaalsContact O-CG 3.27Å; A674-L678 WeakPolarHBondContact O-CG 3.48Å; A674-L678 PolarHBondContact O-N 3.28Å; D676-L678 VanDerWaalsContact C-N 3.33Å; D676-L678 PolarHBondContact O-N 3.37Å |
| 679 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -112.6 | -27.3 | -168 | -61.1 | 170.5 | 0 | 0 | 0 | 113.9 | S634 F675 N681 Y685 N686 | S634-L679 VanDerWaalsContact C-CD1 3.48Å; F675-L679 HydrophobicContact CD2-CD1 3.52Å; F675-L679 HydrophobicContact CE2-CD1 3.38Å; F675-L679 HydrophobicContact CG-CD1 4.2Å; F675-L679 HydrophobicContact CZ-CD1 3.99Å; F675-L679 WeakPolarHBondContact O-CB 3.48Å; F675-L679 PolarHBondContact O-N 3.36Å; L679-N681 PolarHBondContact O-N 3.06Å; L679-Y685 HydrophobicContact CB-CD1 4.13Å; L679-Y685 CarbonylContact O-C 3.55Å; L679-Y685 WeakPolarHBondContact O-CA 2.96Å; L679-N686 HydrophobicContact CD2-CB 4.38Å; L679-N686 PolarHBondContact O-N 3.25Å |
| 680 | W | 98.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 19% | 0.193 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 116 | -178.3 | 179.8 | -109.5 | 0 | 0 | 0 | 111.8 | D676 G682 K683 Y685 K726 R729 | D676-W680 WeakPolarHBondContact O-CB 3.2Å; D676-W680 PolarHBondContact O-N 2.98Å; W680-G682 WeakPolarHBondContact CZ2-O 3.17Å; W680-K683 VanDerWaalsContact CH2-C 3.46Å; W680-K683 VanDerWaalsContact CH2-O 3.3Å; W680-K683 WeakPolarHBondContact CH2-O 3.09Å; W680-Y685 HydrophobicContact CB-CD1 4.19Å; W680-Y685 HydrophobicContact CB-CE1 4.03Å; W680-Y685 HydrophobicContact CD2-CE1 4.47Å; W680-Y685 HydrophobicContact CE3-CD1 4.04Å; W680-Y685 HydrophobicContact CE3-CD2 4.3Å; W680-Y685 AromaticContact CE3-CE1 3.82Å; W680-Y685 HydrophobicContact CE3-CE1 3.82Å; W680-Y685 HydrophobicContact CE3-CE2 4.11Å; W680-Y685 HydrophobicContact CE3-CG 4.28Å; W680-Y685 AromaticContact CE3-CZ 3.87Å; W680-Y685 HydrophobicContact CZ3-CD2 4.5Å; W680-Y685 HydrophobicContact CZ3-CE2 4.25Å; W680-K726 VanDerWaalsContact CD1-NZ 3.29Å; W680-K726 HydrophobicContact CD2-CB 4.48Å; W680-K726 HydrophobicContact CD2-CD 3.69Å; W680-K726 HydrophobicContact CD2-CG 4.15Å; W680-K726 HydrophobicContact CE3-CB 4.1Å; W680-K726 HydrophobicContact CE3-CD 4.06Å; W680-K726 HydrophobicContact CE3-CG 4.27Å; W680-K726 HydrophobicContact CG-CD 4.02Å; W680-K726 HydrophobicContact CH2-CB 3.76Å; W680-K726 HydrophobicContact CH2-CD 4.47Å; W680-K726 HydrophobicContact CH2-CG 3.87Å; W680-K726 HydrophobicContact CZ2-CB 4.17Å; W680-K726 HydrophobicContact CZ2-CD 4.14Å; W680-K726 HydrophobicContact CZ2-CG 3.74Å; W680-K726 HydrophobicContact CZ3-CB 3.72Å; W680-K726 HydrophobicContact CZ3-CD 4.44Å; W680-K726 HydrophobicContact CZ3-CG 4.13Å; W680-R729 HydrophobicContact CH2-CB 4.2Å; W680-R729 HydrophobicContact CH2-CG 4.47Å |
| 681 | N | 97.4 | Very high | 97.2 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | trans | -99 | 7 | -178.9 | 68.6 | 27.7 | 0 | 0 | 0 | 114.4 | L679 K683 Y684 N686 | L679-N681 PolarHBondContact O-N 3.06Å; N681-K683 PolarHBondContact OD1-N 3.45Å; N681-Y684 PolarHBondContact N-O 3.27Å; N681-Y684 VanDerWaalsContact N-O 3.13Å; N681-Y684 VanDerWaalsContact ND2-CD2 3.33Å; N681-Y684 WeakPolarHBondContact ND2-CD2 3.23Å; N681-Y684 WeakPolarHBondContact ND2-CE2 3.44Å; N681-Y684 PolarHBondContact ND2-O 2.89Å; N681-Y684 PolarHBondContact OD1-N 3.42Å; N681-Y684 PolarHBondContact OD1-O 2.76Å; N681-N686 PolarHBondContact ND2-OD1 3.29Å | ||
| 682 | G | 96.5 | Very high | 96.9 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 96.3 | -14.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | W680 R729 | W680-G682 WeakPolarHBondContact CZ2-O 3.17Å; G682-R729 WeakPolarHBondContact O-CD 3.32Å; G682-R729 PolarHBondContact O-NH1 3.45Å |
| 683 | K | 96.8 | Very high | 96.4 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -123.7 | -48.6 | 177.5 | -66.3 | -176.1 | 179 | -179.2 | 0 | 112.8 | W680 N681 R729 A730 | W680-K683 VanDerWaalsContact CH2-C 3.46Å; W680-K683 VanDerWaalsContact CH2-O 3.3Å; W680-K683 WeakPolarHBondContact CH2-O 3.09Å; N681-K683 PolarHBondContact OD1-N 3.45Å; K683-R729 CarbonylContact O-C 3.58Å; K683-R729 WeakPolarHBondContact O-CD 3.35Å; K683-R729 WeakPolarHBondContact O-CG 3.4Å; K683-A730 PolarHBondContact O-N 3.3Å |
| 684 | Y | 98.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -146.6 | 176.4 | -177.4 | 57.9 | -94.3 | 0 | 0 | 0 | 109.2 | N681 N696 I698 | N681-Y684 PolarHBondContact N-O 3.27Å; N681-Y684 VanDerWaalsContact N-O 3.13Å; N681-Y684 VanDerWaalsContact ND2-CD2 3.33Å; N681-Y684 WeakPolarHBondContact ND2-CD2 3.23Å; N681-Y684 WeakPolarHBondContact ND2-CE2 3.44Å; N681-Y684 PolarHBondContact ND2-O 2.89Å; N681-Y684 PolarHBondContact OD1-N 3.42Å; N681-Y684 PolarHBondContact OD1-O 2.76Å; Y684-N696 WeakPolarHBondContact CE2-O 3.46Å; Y684-N696 PolarHBondContact OH-O 3.39Å; Y684-I698 HydrophobicContact CD1-CG1 3.99Å; Y684-I698 HydrophobicContact CD2-CG1 3.91Å; Y684-I698 HydrophobicContact CE1-CD1 4.01Å; Y684-I698 HydrophobicContact CE1-CG1 3.71Å; Y684-I698 HydrophobicContact CE2-CB 4.49Å; Y684-I698 HydrophobicContact CE2-CD1 4.21Å; Y684-I698 HydrophobicContact CE2-CG1 3.63Å; Y684-I698 HydrophobicContact CG-CG1 4.1Å |
| 685 | Y | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 125.4 | 173 | -62 | -81.8 | 0 | 0 | 0 | 109.4 | F675 L679 W680 Q702 K726 I727 A730 | F675-Y685 HydrophobicContact CD1-CD1 4.21Å; F675-Y685 AromaticContact CD1-CE1 3.93Å; F675-Y685 HydrophobicContact CD1-CE1 3.93Å; F675-Y685 AromaticContact CE1-CD1 3.53Å; F675-Y685 HydrophobicContact CE1-CD1 3.53Å; F675-Y685 AromaticContact CE1-CE1 3.47Å; F675-Y685 HydrophobicContact CE1-CE1 3.47Å; F675-Y685 VanDerWaalsContact CE1-CE1 3.47Å; F675-Y685 HydrophobicContact CE1-CG 4.11Å; F675-Y685 AromaticContact CE1-CZ 3.99Å; F675-Y685 HydrophobicContact CZ-CD1 4.16Å; F675-Y685 HydrophobicContact CZ-CE1 4.48Å; F675-Y685 HydrophobicContact CZ-CG 4.41Å; L679-Y685 HydrophobicContact CB-CD1 4.13Å; L679-Y685 CarbonylContact O-C 3.55Å; L679-Y685 WeakPolarHBondContact O-CA 2.96Å; W680-Y685 HydrophobicContact CB-CD1 4.19Å; W680-Y685 HydrophobicContact CB-CE1 4.03Å; W680-Y685 HydrophobicContact CD2-CE1 4.47Å; W680-Y685 HydrophobicContact CE3-CD1 4.04Å; W680-Y685 HydrophobicContact CE3-CD2 4.3Å; W680-Y685 AromaticContact CE3-CE1 3.82Å; W680-Y685 HydrophobicContact CE3-CE1 3.82Å; W680-Y685 HydrophobicContact CE3-CE2 4.11Å; W680-Y685 HydrophobicContact CE3-CG 4.28Å; W680-Y685 AromaticContact CE3-CZ 3.87Å; W680-Y685 HydrophobicContact CZ3-CD2 4.5Å; W680-Y685 HydrophobicContact CZ3-CE2 4.25Å; Y685-Q702 PolarHBondContact O-OE1 2.85Å; Y685-K726 WeakPolarHBondContact OH-CB 3.33Å; Y685-I727 HydrophobicContact CE2-CD1 4.25Å; Y685-A730 HydrophobicContact CD2-CB 4.21Å; Y685-A730 HydrophobicContact CE2-CB 4.45Å |
| 686 | N | 98.6 | Very high | 96 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | trans | -54.1 | 147.4 | 172.8 | -73.7 | -21.1 | 0 | 0 | 0 | 110.4 | A635 L679 N681 D688 S695 | A635-N686 WeakPolarHBondContact CB-O 3.19Å; L679-N686 HydrophobicContact CD2-CB 4.38Å; L679-N686 PolarHBondContact O-N 3.25Å; N681-N686 PolarHBondContact ND2-OD1 3.29Å; N686-D688 VanDerWaalsContact C-N 3.33Å; N686-D688 PolarHBondContact O-N 3.01Å; N686-S695 CarbonylContact C-O 3.41Å; N686-S695 WeakPolarHBondContact CB-O 3.22Å | ||
| 687 | Y | 98.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -54.1 | -49.8 | 177.6 | 171.9 | -107.3 | 0 | 0 | 0 | 111.7 | W628 T629 V630 S634 A635 S695 S697 M699 | W628-Y687 AromaticContact CD1-CZ 3.95Å; W628-Y687 VanDerWaalsContact CD1-OH 3.29Å; W628-Y687 AromaticContact CD2-CE2 3.75Å; W628-Y687 HydrophobicContact CD2-CE2 3.75Å; W628-Y687 AromaticContact CD2-CZ 3.73Å; W628-Y687 AromaticContact CE2-CE2 3.62Å; W628-Y687 AromaticContact CE2-CZ 3.55Å; W628-Y687 AromaticContact CE3-CE2 3.9Å; W628-Y687 HydrophobicContact CE3-CE2 3.9Å; W628-Y687 HydrophobicContact CG-CE2 4.45Å; W628-Y687 AromaticContact CG-CZ 3.99Å; W628-Y687 AromaticContact CH2-CD2 3.99Å; W628-Y687 HydrophobicContact CH2-CD2 3.99Å; W628-Y687 AromaticContact CH2-CE2 3.82Å; W628-Y687 HydrophobicContact CH2-CE2 3.82Å; W628-Y687 AromaticContact CZ2-CD2 3.92Å; W628-Y687 HydrophobicContact CZ2-CD2 3.92Å; W628-Y687 AromaticContact CZ2-CE2 3.67Å; W628-Y687 HydrophobicContact CZ2-CE2 3.67Å; W628-Y687 HydrophobicContact CZ2-CG 4.46Å; W628-Y687 HydrophobicContact CZ3-CD2 4.46Å; W628-Y687 AromaticContact CZ3-CE2 3.93Å; W628-Y687 HydrophobicContact CZ3-CE2 3.93Å; W628-Y687 AromaticContact NE1-CZ 3.71Å; W628-Y687 PolarHBondContact O-OH 3.42Å; T629-Y687 VanDerWaalsContact O-CE1 3.3Å; T629-Y687 WeakPolarHBondContact O-CE1 3.12Å; T629-Y687 PolarHBondContact O-OH 3.26Å; V630-Y687 HydrophobicContact CG2-CE1 4.22Å; V630-Y687 HydrophobicContact CG2-CE2 4.39Å; V630-Y687 WeakPolarHBondContact CG2-OH 3.42Å; S634-Y687 WeakPolarHBondContact CA-O 3.41Å; S634-Y687 WeakPolarHBondContact CB-O 3.24Å; A635-Y687 PolarHBondContact N-O 3.2Å; Y687-S695 WeakPolarHBondContact CB-O 3.36Å; Y687-S695 PolarHBondContact N-O 2.85Å; Y687-S697 PolarHBondContact N-O 3.38Å; Y687-M699 HydrophobicContact CD2-CB 4.15Å; Y687-M699 HydrophobicContact CD2-CG 4.4Å; Y687-M699 HydrophobicContact CD2-SD 3.93Å; Y687-M699 HydrophobicContact CE2-SD 3.99Å |
| 688 | D | 98.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.043 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -145.3 | 171.6 | 172.3 | 74.8 | 20.5 | 0 | 0 | 0 | 112.4 | V630 T631 P633 N686 S690 S695 | V630-D688 HydrophobicContact CG1-CB 3.9Å; T631-D688 PolarHBondContact N-OD2 2.78Å; T631-D688 WeakPolarHBondContact O-CB 3.47Å; P633-D688 CarbonylContact O-C 3.49Å; P633-D688 WeakPolarHBondContact O-CA 3.43Å; N686-D688 VanDerWaalsContact C-N 3.33Å; N686-D688 PolarHBondContact O-N 3.01Å; D688-S690 WeakPolarHBondContact OD1-CB 3.41Å; D688-S690 PolarHBondContact OD1-N 3.01Å; D688-S690 PolarHBondContact OD1-OG 2.8Å; D688-S690 PolarHBondContact OD2-OG 2.54Å; D688-S695 PolarHBondContact N-O 2.8Å; D688-S695 WeakPolarHBondContact O-CB 3.15Å; D688-S695 WeakPolarHBondContact OD1-CA 3.28Å; D688-S695 WeakPolarHBondContact OD1-CB 3.41Å |
| 689 | S | 97.1 | Very high | 96.2 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -94 | 13 | -179.4 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | P633 G691 | P633-S689 VanDerWaalsContact CD-OG 3.23Å; P633-S689 WeakPolarHBondContact CD-OG 3.44Å; P633-S689 PolarHBondContact O-N 3.06Å; S689-G691 PolarHBondContact O-N 3.27Å; S689-G691 VanDerWaalsContact O-N 3.17Å |
| 690 | S | 95.4 | Very high | 96.2 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -68.9 | -16.2 | -170.4 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | D688 R692 | D688-S690 WeakPolarHBondContact OD1-CB 3.41Å; D688-S690 PolarHBondContact OD1-N 3.01Å; D688-S690 PolarHBondContact OD1-OG 2.8Å; D688-S690 PolarHBondContact OD2-OG 2.54Å; S690-R692 PolarHBondContact O-N 2.85Å; S690-R692 VanDerWaalsContact O-N 3.14Å; S690-R692 WeakPolarHBondContact OG-CB 3.49Å; S690-R692 WeakPolarHBondContact OG-CG 2.99Å; S690-R692 PolarHBondContact OG-N 3.31Å |
| 691 | G | 91.2 | Very high | 96.2 | Very high | 69 Ų | 69 | 38.4 Ų | 38.4 | 71% | 0.711 | 23% | 0.228 | S | C | * | . | trans | 66.7 | 6.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | S689 | S689-G691 PolarHBondContact O-N 3.27Å; S689-G691 VanDerWaalsContact O-N 3.17Å | ||
| 692 | R | 91.1 | Very high | 96.3 | Very high | 144 Ų | 144 | 35.7 Ų | 35.7 | 54% | 0.543 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -69.1 | 164.3 | 175.6 | -65.2 | 177.3 | -179.7 | 177.2 | 4.2 | 110.5 | T631 S690 L694 S695 | T631-R692 PolarHBondContact OG1-NH1 2.95Å; S690-R692 PolarHBondContact O-N 2.85Å; S690-R692 VanDerWaalsContact O-N 3.14Å; S690-R692 WeakPolarHBondContact OG-CB 3.49Å; S690-R692 WeakPolarHBondContact OG-CG 2.99Å; S690-R692 PolarHBondContact OG-N 3.31Å; R692-L694 PolarHBondContact O-N 3.28Å; R692-S695 WeakPolarHBondContact O-CB 3.17Å; R692-S695 PolarHBondContact O-N 2.81Å; R692-S695 PolarHBondContact O-OG 3.2Å |
| 693 | A | 87.8 | Confident | 96.3 | Very high | 85 Ų | 85 | 34.7 Ų | 34.7 | 70% | 0.702 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | -30.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N696 R754 | A693-N696 PolarHBondContact O-OD1 3.27Å; A693-R754 PolarHBondContact O-NH2 3.44Å |
| 694 | L | 91 | Very high | 96.4 | Very high | 67 Ų | 67 | 28.1 Ų | 28.1 | 35% | 0.351 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 2.3 | -176 | -54.1 | -179.7 | 0 | 0 | 0 | 114.7 | R692 N696 S697 R754 | R692-L694 PolarHBondContact O-N 3.28Å; L694-N696 PolarHBondContact O-N 3.04Å; L694-N696 VanDerWaalsContact O-N 3.11Å; L694-S697 WeakPolarHBondContact O-CB 3.01Å; L694-S697 PolarHBondContact O-N 2.92Å; L694-S697 PolarHBondContact O-OG 2.9Å; L694-R754 VanDerWaalsContact CA-NH1 3.33Å; L694-R754 VanDerWaalsContact CD2-CZ 3.43Å |
| 695 | S | 95.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.7 | 178.9 | 58 | 0 | 0 | 0 | 0 | 113.5 | N686 Y687 D688 R692 | N686-S695 CarbonylContact C-O 3.41Å; N686-S695 WeakPolarHBondContact CB-O 3.22Å; Y687-S695 WeakPolarHBondContact CB-O 3.36Å; Y687-S695 PolarHBondContact N-O 2.85Å; D688-S695 PolarHBondContact N-O 2.8Å; D688-S695 WeakPolarHBondContact O-CB 3.15Å; D688-S695 WeakPolarHBondContact OD1-CA 3.28Å; D688-S695 WeakPolarHBondContact OD1-CB 3.41Å; R692-S695 WeakPolarHBondContact O-CB 3.17Å; R692-S695 PolarHBondContact O-N 2.81Å; R692-S695 PolarHBondContact O-OG 3.2Å |
| 696 | N | 96.9 | Very high | 96.2 | Very high | 48 Ų | 48 | 27.9 Ų | 27.9 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 11.6 | 179.3 | 70.4 | -21.6 | 0 | 0 | 0 | 114.8 | Y684 A693 L694 R754 | Y684-N696 WeakPolarHBondContact CE2-O 3.46Å; Y684-N696 PolarHBondContact OH-O 3.39Å; A693-N696 PolarHBondContact O-OD1 3.27Å; L694-N696 PolarHBondContact O-N 3.04Å; L694-N696 VanDerWaalsContact O-N 3.11Å; N696-R754 VanDerWaalsContact OD1-CZ 3.25Å; N696-R754 PolarHBondContact OD1-NH1 3.47Å; N696-R754 PolarHBondContact OD1-NH2 3.46Å |
| 697 | S | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -59.5 | 142.3 | 173.1 | -72.9 | 0 | 0 | 0 | 0 | 111.1 | Y687 L694 M699 R754 D760 | Y687-S697 PolarHBondContact N-O 3.38Å; L694-S697 WeakPolarHBondContact O-CB 3.01Å; L694-S697 PolarHBondContact O-N 2.92Å; L694-S697 PolarHBondContact O-OG 2.9Å; S697-M699 PolarHBondContact O-N 3.43Å; S697-R754 PolarHBondContact OG-NH1 2.85Å; S697-D760 WeakPolarHBondContact CB-OD2 3.47Å; S697-D760 PolarHBondContact OG-OD2 2.87Å | ||
| 698 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 108.7 | 171.5 | -55.7 | 88.2 | 0 | 0 | 0 | 107.6 | Y684 V734 L737 N738 M753 P755 | Y684-I698 HydrophobicContact CD1-CG1 3.99Å; Y684-I698 HydrophobicContact CD2-CG1 3.91Å; Y684-I698 HydrophobicContact CE1-CD1 4.01Å; Y684-I698 HydrophobicContact CE1-CG1 3.71Å; Y684-I698 HydrophobicContact CE2-CB 4.49Å; Y684-I698 HydrophobicContact CE2-CD1 4.21Å; Y684-I698 HydrophobicContact CE2-CG1 3.63Å; Y684-I698 HydrophobicContact CG-CG1 4.1Å; I698-V734 HydrophobicContact CG2-CG2 3.74Å; I698-L737 HydrophobicContact CD1-CD1 3.56Å; I698-L737 HydrophobicContact CG1-CD1 3.95Å; I698-N738 WeakPolarHBondContact CG2-OD1 3.24Å; I698-N738 PolarHBondContact O-ND2 3.18Å; I698-M753 HydrophobicContact CB-CB 4.47Å; I698-M753 VanDerWaalsContact CD1-O 3.22Å; I698-M753 WeakPolarHBondContact CD1-O 3.21Å; I698-M753 PolarHBondContact N-O 2.81Å; I698-M753 PolarHBondContact O-N 3.36Å; I698-P755 HydrophobicContact CD1-CB 4.24Å |
| 699 | M | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133 | 172.5 | -170.7 | -177.6 | -174.6 | 0 | 0 | 110.1 | Y625 W628 Y636 Y687 S697 D701 Q702 N751 | Y625-M699 HydrophobicContact CD1-CE 4.35Å; Y625-M699 HydrophobicContact CD2-CE 3.54Å; Y625-M699 HydrophobicContact CE1-CE 4.02Å; Y625-M699 HydrophobicContact CE2-CE 3.18Å; Y625-M699 HydrophobicContact CG-CE 4.14Å; Y625-M699 VanDerWaalsContact CZ-CE 3.45Å; W628-M699 HydrophobicContact CH2-CB 4.41Å; W628-M699 HydrophobicContact CH2-CG 4.17Å; W628-M699 HydrophobicContact CZ3-CE 4.25Å; W628-M699 HydrophobicContact CZ3-CG 3.95Å; W628-M699 HydrophobicContact CZ3-SD 4.46Å; Y636-M699 HydrophobicContact CD2-CE 4.3Å; Y636-M699 HydrophobicContact CG-CE 4.08Å; Y636-M699 HydrophobicContact CG-SD 4.48Å; Y687-M699 HydrophobicContact CD2-CB 4.15Å; Y687-M699 HydrophobicContact CD2-CG 4.4Å; Y687-M699 HydrophobicContact CD2-SD 3.93Å; Y687-M699 HydrophobicContact CE2-SD 3.99Å; S697-M699 PolarHBondContact O-N 3.43Å; M699-D701 HydrophobicContact CE-CB 4.1Å; M699-D701 HydrophobicContact CG-CB 4.5Å; M699-D701 PolarHBondContact O-N 3.43Å; M699-Q702 HydrophobicContact CB-CB 4.23Å; M699-Q702 WeakPolarHBondContact O-CB 3.4Å; M699-Q702 WeakPolarHBondContact O-CG 3.27Å; M699-Q702 PolarHBondContact O-N 2.99Å; M699-Q702 PolarHBondContact O-NE2 3.49Å; M699-N751 CarbonylContact C-O 2.89Å; M699-N751 VanDerWaalsContact CA-O 3.29Å; M699-N751 WeakPolarHBondContact CA-O 3.47Å |
| 700 | S | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -33.9 | 177 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | N751 | S700-N751 PolarHBondContact N-O 2.88Å; S700-N751 WeakPolarHBondContact OG-CA 3.24Å; S700-N751 PolarHBondContact OG-OD1 3.25Å |
| 701 | D | 98.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 15.7 | -174.8 | -146.5 | 10.3 | 0 | 0 | 0 | 114 | Y491 Y625 Y636 M699 C703 A704 V773 | Y491-D701 PolarHBondContact OH-OD2 2.78Å; Y625-D701 VanDerWaalsContact OH-CB 3.26Å; Y625-D701 WeakPolarHBondContact OH-CB 3.43Å; Y625-D701 PolarHBondContact OH-OD2 2.86Å; Y625-D701 VanDerWaalsContact OH-OD2 3.07Å; Y636-D701 HydrophobicContact CD2-CB 4.29Å; Y636-D701 WeakPolarHBondContact CE2-OD2 3.19Å; M699-D701 HydrophobicContact CE-CB 4.1Å; M699-D701 HydrophobicContact CG-CB 4.5Å; M699-D701 PolarHBondContact O-N 3.43Å; D701-C703 PolarHBondContact O-N 3.35Å; D701-A704 WeakPolarHBondContact O-CB 3.31Å; D701-A704 PolarHBondContact O-N 2.62Å; D701-A704 WeakPolarHBondContact OD1-CB 3.31Å; D701-V773 HydrophobicContact CB-CG1 3.86Å |
| 702 | Q | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 2% | 0.023 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -11.3 | -177.5 | 73.5 | -176.2 | -93.6 | 0 | 0 | 114.4 | A635 Y685 M699 V734 | A635-Q702 HydrophobicContact CB-CB 3.8Å; Y685-Q702 PolarHBondContact O-OE1 2.85Å; M699-Q702 HydrophobicContact CB-CB 4.23Å; M699-Q702 WeakPolarHBondContact O-CB 3.4Å; M699-Q702 WeakPolarHBondContact O-CG 3.27Å; M699-Q702 PolarHBondContact O-N 2.99Å; M699-Q702 PolarHBondContact O-NE2 3.49Å; Q702-V734 HydrophobicContact CG-CG2 4.46Å |
| 703 | C | 97.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 5% | 0.047 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 18.3 | 179.2 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | D701 G705 H706 W707 L731 T780 | D701-C703 PolarHBondContact O-N 3.35Å; C703-G705 VanDerWaalsContact C-N 3.31Å; C703-G705 PolarHBondContact O-N 2.5Å; C703-H706 PolarHBondContact O-N 3.47Å; C703-H706 VanDerWaalsContact O-N 3.11Å; C703-W707 PolarHBondContact O-N 2.8Å; C703-L731 HydrophobicContact CB-CD2 4.29Å; C703-T780 HydrophobicContact CB-CG2 4.41Å |
| 704 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -55.1 | -41.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y636 D701 W707 F708 | Y636-A704 HydrophobicContact CD2-CB 3.77Å; Y636-A704 HydrophobicContact CE2-CB 3.72Å; D701-A704 WeakPolarHBondContact O-CB 3.31Å; D701-A704 PolarHBondContact O-N 2.62Å; D701-A704 WeakPolarHBondContact OD1-CB 3.31Å; A704-W707 WeakPolarHBondContact O-CB 3.21Å; A704-W707 PolarHBondContact O-N 3.06Å; A704-F708 PolarHBondContact O-N 2.77Å; A704-F708 VanDerWaalsContact O-N 3.13Å |
| 705 | G | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A643 C703 F708 L709 | A643-G705 VanDerWaalsContact CB-O 3.32Å; A643-G705 WeakPolarHBondContact CB-O 3.26Å; C703-G705 VanDerWaalsContact C-N 3.31Å; C703-G705 PolarHBondContact O-N 2.5Å; G705-F708 PolarHBondContact O-N 3.39Å; G705-L709 PolarHBondContact O-N 3.07Å |
| 706 | H | 96.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 19 Ų | 19 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.9 | 179.1 | 76.3 | 0 | 0 | 0 | 112.2 | C703 F708 L709 R710 F722 I727 E784 | C703-H706 PolarHBondContact O-N 3.47Å; C703-H706 VanDerWaalsContact O-N 3.11Å; H706-F708 VanDerWaalsContact C-N 3.26Å; H706-F708 PolarHBondContact O-N 2.89Å; H706-L709 PolarHBondContact O-N 3.01Å; H706-R710 PolarHBondContact O-N 2.69Å; H706-R710 VanDerWaalsContact O-N 3.13Å; H706-F722 HydrophobicContact CB-CD1 4.31Å; H706-F722 HydrophobicContact CB-CD2 4.15Å; H706-F722 HydrophobicContact CB-CE2 4.49Å; H706-F722 HydrophobicContact CB-CG 4.05Å; H706-F722 WeakPolarHBondContact ND1-CB 3.47Å; H706-F722 AromaticContact ND1-CD2 3.97Å; H706-F722 AromaticContact ND1-CG 3.85Å; H706-I727 HydrophobicContact CB-CD1 3.92Å; H706-E784 IonicContact CD2-OE1 3.01Å; H706-E784 IonicContact CE1-OE1 2.8Å; H706-E784 PolarHBondContact CE1-OE1 3.38Å; H706-E784 IonicContact NE2-OE1 2.78Å; H706-E784 PolarHBondContact NE2-OE1 3.07Å |
| 707 | W | 96.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -49.9 | -50.8 | 174 | 169.3 | 37.9 | 0 | 0 | 0 | 111.2 | F490 Y491 F494 C703 A704 L709 R710 A711 T780 A834 | F490-W707 HydrophobicContact CD1-CZ3 4.23Å; F490-W707 HydrophobicContact CE1-CE3 4.12Å; F490-W707 AromaticContact CE1-CZ3 3.6Å; F490-W707 HydrophobicContact CE1-CZ3 3.6Å; F490-W707 HydrophobicContact CZ-CZ3 4.31Å; Y491-W707 AromaticContact CD1-CH2 3.87Å; Y491-W707 HydrophobicContact CD1-CH2 3.87Å; Y491-W707 AromaticContact CD1-CZ3 3.71Å; Y491-W707 HydrophobicContact CD1-CZ3 3.71Å; Y491-W707 HydrophobicContact CE1-CH2 4.48Å; Y491-W707 AromaticContact CE1-CZ3 3.87Å; Y491-W707 HydrophobicContact CE1-CZ3 3.87Å; F494-W707 HydrophobicContact CD2-CH2 4.44Å; F494-W707 HydrophobicContact CD2-CZ2 4.2Å; F494-W707 HydrophobicContact CE1-CZ2 4.48Å; F494-W707 AromaticContact CE2-CH2 3.59Å; F494-W707 HydrophobicContact CE2-CH2 3.59Å; F494-W707 AromaticContact CE2-CZ2 3.34Å; F494-W707 HydrophobicContact CE2-CZ2 3.34Å; F494-W707 HydrophobicContact CZ-CH2 4.13Å; F494-W707 AromaticContact CZ-CZ2 3.51Å; F494-W707 HydrophobicContact CZ-CZ2 3.51Å; C703-W707 PolarHBondContact O-N 2.8Å; A704-W707 WeakPolarHBondContact O-CB 3.21Å; A704-W707 PolarHBondContact O-N 3.06Å; W707-L709 PolarHBondContact O-N 2.73Å; W707-R710 PolarHBondContact O-N 3.09Å; W707-A711 PolarHBondContact O-N 3.3Å; W707-T780 HydrophobicContact CB-CG2 3.92Å; W707-T780 WeakPolarHBondContact CB-OG1 3.3Å; W707-A834 HydrophobicContact CZ2-CB 3.6Å |
| 708 | F | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -34.9 | -175.3 | -139.3 | -88.8 | 0 | 0 | 0 | 112.7 | F490 F494 L575 Q576 R579 A704 G705 H706 R710 A711 S712 | F490-F708 AromaticContact CD2-CD2 3.99Å; F490-F708 HydrophobicContact CD2-CD2 3.99Å; F490-F708 AromaticContact CD2-CE2 3.58Å; F490-F708 HydrophobicContact CD2-CE2 3.58Å; F490-F708 HydrophobicContact CD2-CZ 4.05Å; F490-F708 AromaticContact CE1-CD2 3.97Å; F490-F708 HydrophobicContact CE1-CD2 3.97Å; F490-F708 HydrophobicContact CE1-CE2 4.27Å; F490-F708 HydrophobicContact CE2-CB 4.38Å; F490-F708 HydrophobicContact CE2-CD1 4.27Å; F490-F708 AromaticContact CE2-CD2 3.13Å; F490-F708 HydrophobicContact CE2-CD2 3.13Å; F490-F708 HydrophobicContact CE2-CE1 4.32Å; F490-F708 AromaticContact CE2-CE2 3.2Å; F490-F708 HydrophobicContact CE2-CE2 3.2Å; F490-F708 AromaticContact CE2-CG 3.67Å; F490-F708 HydrophobicContact CE2-CG 3.67Å; F490-F708 AromaticContact CE2-CZ 3.82Å; F490-F708 HydrophobicContact CE2-CZ 3.82Å; F490-F708 HydrophobicContact CG-CE2 4.28Å; F490-F708 HydrophobicContact CZ-CB 4.12Å; F490-F708 AromaticContact CZ-CD2 3.12Å; F490-F708 HydrophobicContact CZ-CD2 3.12Å; F490-F708 AromaticContact CZ-CE2 3.6Å; F490-F708 HydrophobicContact CZ-CE2 3.6Å; F490-F708 AromaticContact CZ-CG 3.78Å; F490-F708 HydrophobicContact CZ-CG 3.78Å; F494-F708 HydrophobicContact CE2-CD2 4.41Å; F494-F708 AromaticContact CE2-CE2 3.78Å; F494-F708 HydrophobicContact CE2-CE2 3.78Å; F494-F708 HydrophobicContact CZ-CD2 4.13Å; F494-F708 AromaticContact CZ-CE2 3.74Å; F494-F708 HydrophobicContact CZ-CE2 3.74Å; F494-F708 HydrophobicContact CZ-CZ 4.37Å; L575-F708 VanDerWaalsContact C-CE1 3.41Å; L575-F708 HydrophobicContact CB-CD1 3.6Å; L575-F708 HydrophobicContact CB-CE1 3.84Å; L575-F708 HydrophobicContact CB-CG 4.24Å; L575-F708 HydrophobicContact CD1-CB 4.36Å; L575-F708 HydrophobicContact CD2-CD1 4.41Å; L575-F708 HydrophobicContact CG-CD1 4.43Å; L575-F708 VanDerWaalsContact O-CE1 3.29Å; L575-F708 WeakPolarHBondContact O-CE1 3.44Å; Q576-F708 HydrophobicContact CB-CZ 4.47Å; Q576-F708 HydrophobicContact CG-CE1 4.24Å; Q576-F708 HydrophobicContact CG-CE2 4.48Å; Q576-F708 HydrophobicContact CG-CZ 3.63Å; R579-F708 HydrophobicContact CB-CD1 4.39Å; R579-F708 HydrophobicContact CB-CE1 3.59Å; R579-F708 HydrophobicContact CB-CZ 4.26Å; R579-F708 HydrophobicContact CG-CE1 4.19Å; A704-F708 PolarHBondContact O-N 2.77Å; A704-F708 VanDerWaalsContact O-N 3.13Å; G705-F708 PolarHBondContact O-N 3.39Å; H706-F708 VanDerWaalsContact C-N 3.26Å; H706-F708 PolarHBondContact O-N 2.89Å; F708-R710 VanDerWaalsContact C-N 3.33Å; F708-R710 PolarHBondContact O-N 3.19Å; F708-A711 WeakPolarHBondContact O-CB 3.32Å; F708-A711 PolarHBondContact O-N 3.49Å; F708-S712 WeakPolarHBondContact O-CB 3.42Å; F708-S712 PolarHBondContact O-N 2.77Å; F708-S712 PolarHBondContact O-OG 2.77Å |
| 709 | L | 95.3 | Very high | 87.7 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 171.8 | -67.4 | -178.8 | 0 | 0 | 0 | 112.2 | A643 C646 V647 G705 H706 W707 A711 S712 G713 L714 F722 | A643-L709 HydrophobicContact CB-CD1 4.1Å; A643-L709 HydrophobicContact CB-CD2 3.94Å; A643-L709 HydrophobicContact CB-CG 3.77Å; A643-L709 WeakPolarHBondContact O-CD2 3.28Å; C646-L709 HydrophobicContact CB-CD1 4.25Å; C646-L709 HydrophobicContact CB-CD2 3.84Å; V647-L709 HydrophobicContact CG1-CD2 3.8Å; G705-L709 PolarHBondContact O-N 3.07Å; H706-L709 PolarHBondContact O-N 3.01Å; W707-L709 PolarHBondContact O-N 2.73Å; L709-A711 VanDerWaalsContact C-N 3.34Å; L709-S712 CarbonylContact O-C 3.57Å; L709-S712 PolarHBondContact O-N 2.91Å; L709-G713 PolarHBondContact O-N 3.41Å; L709-L714 HydrophobicContact CB-CB 4.41Å; L709-L714 HydrophobicContact CD2-CD1 3.74Å; L709-L714 PolarHBondContact O-N 3.5Å; L709-F722 HydrophobicContact CD1-CD2 3.69Å; L709-F722 HydrophobicContact CD1-CE2 3.62Å |
| 710 | R | 93.9 | Very high | 86.3 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.1 | -62.4 | -50 | -52 | -79.2 | -5.6 | 111.4 | H706 W707 F708 S712 G713 H783 E784 | H706-R710 PolarHBondContact O-N 2.69Å; H706-R710 VanDerWaalsContact O-N 3.13Å; W707-R710 PolarHBondContact O-N 3.09Å; F708-R710 VanDerWaalsContact C-N 3.33Å; F708-R710 PolarHBondContact O-N 3.19Å; R710-S712 VanDerWaalsContact C-N 3.27Å; R710-S712 PolarHBondContact O-N 3.19Å; R710-G713 PolarHBondContact O-N 2.76Å; R710-H783 HydrophobicContact CB-CB 3.94Å; R710-H783 HydrophobicContact CG-CB 4.24Å; R710-H783 PolarHBondContact NH1-O 3.02Å; R710-E784 IonicContact CZ-OE1 2.84Å; R710-E784 IonicContact NH1-OE1 3.19Å; R710-E784 PolarHBondContact NH1-OE1 2.87Å; R710-E784 IonicContact NH1-OE2 3.19Å |
| 711 | A | 95.4 | Very high | 85.4 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -29.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F494 W707 F708 L709 G713 L837 | F494-A711 HydrophobicContact CE1-CB 3.74Å; F494-A711 HydrophobicContact CZ-CB 3.94Å; W707-A711 PolarHBondContact O-N 3.3Å; F708-A711 WeakPolarHBondContact O-CB 3.32Å; F708-A711 PolarHBondContact O-N 3.49Å; L709-A711 VanDerWaalsContact C-N 3.34Å; A711-G713 VanDerWaalsContact C-N 3.28Å; A711-G713 PolarHBondContact O-N 2.89Å; A711-L837 HydrophobicContact CB-CD2 4.08Å |
| 712 | S | 95 | Very high | 84.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 11.8 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 114 | R579 H582 F708 L709 R710 L714 | R579-S712 WeakPolarHBondContact CA-OG 3.48Å; R579-S712 WeakPolarHBondContact CB-OG 3.04Å; H582-S712 VanDerWaalsContact CD2-C 3.49Å; H582-S712 PolarHBondContact CD2-O 2.91Å; H582-S712 PolarHBondContact ND1-O 3.25Å; F708-S712 WeakPolarHBondContact O-CB 3.42Å; F708-S712 PolarHBondContact O-N 2.77Å; F708-S712 PolarHBondContact O-OG 2.77Å; L709-S712 CarbonylContact O-C 3.57Å; L709-S712 PolarHBondContact O-N 2.91Å; R710-S712 VanDerWaalsContact C-N 3.27Å; R710-S712 PolarHBondContact O-N 3.19Å; S712-L714 VanDerWaalsContact C-N 3.26Å; S712-L714 PolarHBondContact O-N 3.02Å |
| 713 | G | 90.9 | Very high | 84.5 | Confident | 37 Ų | 37 | 41.7 Ų | 41.7 | 38% | 0.381 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 21.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L709 R710 A711 | L709-G713 PolarHBondContact O-N 3.41Å; R710-G713 PolarHBondContact O-N 2.76Å; A711-G713 VanDerWaalsContact C-N 3.28Å; A711-G713 PolarHBondContact O-N 2.89Å |
| 714 | L | 88.8 | Confident | 84.1 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | trans | -85.3 | 120.8 | 171.7 | -69.8 | 175 | 0 | 0 | 0 | 109.9 | Y578 V647 K650 L709 S712 Y719 | Y578-L714 HydrophobicContact CD1-CD1 4.33Å; Y578-L714 HydrophobicContact CE1-CD1 3.78Å; Y578-L714 HydrophobicContact CE1-CD2 4.22Å; Y578-L714 HydrophobicContact CE1-CG 3.82Å; V647-L714 HydrophobicContact CG1-CD1 3.72Å; K650-L714 HydrophobicContact CB-CD2 4.47Å; K650-L714 HydrophobicContact CD-CD2 4.31Å; K650-L714 HydrophobicContact CG-CD2 4.11Å; L709-L714 HydrophobicContact CB-CB 4.41Å; L709-L714 HydrophobicContact CD2-CD1 3.74Å; L709-L714 PolarHBondContact O-N 3.5Å; S712-L714 VanDerWaalsContact C-N 3.26Å; S712-L714 PolarHBondContact O-N 3.02Å; L714-Y719 HydrophobicContact CD1-CE2 4.49Å; L714-Y719 HydrophobicContact CD2-CE2 4.32Å | ||
| 715 | E | 69.2 | Low | 83.9 | Confident | 152 Ų | 152 | 51.4 Ų | 51.4 | 71% | 0.71 | 26% | 0.262 | S | S | * | . | trans | -73.6 | 161.3 | -174.5 | -66.9 | -174.7 | 177.9 | 0 | 0 | 113.3 | E717 A718 | E715-E717 PolarHBondContact O-N 3.26Å; E715-A718 PolarHBondContact O-N 3.43Å | ||
| 716 | K | 57 | Low | 83.8 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20 | -172.1 | -68.7 | 171.5 | 177.3 | 163.2 | 0 | 115.1 | K724 | K716-K724 HydrophobicContact CD-CD 4.04Š|
| 717 | E | 55.6 | Low | 83.8 | Confident | 172 Ų | 172 | 53 Ų | 53 | 80% | 0.804 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | -6 | -168.3 | -69.7 | 150.7 | -155.9 | 0 | 0 | 113.3 | E715 Y719 | E715-E717 PolarHBondContact O-N 3.26Å; E717-Y719 VanDerWaalsContact C-N 3.27Å; E717-Y719 PolarHBondContact O-N 2.79Å |
| 718 | A | 59.4 | Low | 83.8 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -66.6 | -30.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E715 | E715-A718 PolarHBondContact O-N 3.43Š|
| 719 | Y | 64.7 | Low | 83.9 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | trans | -144.1 | 129.4 | -176.9 | -57.7 | -75.2 | 0 | 0 | 0 | 110.3 | C646 C649 K650 L668 L714 E717 A721 | C646-Y719 HydrophobicContact CB-CD2 3.79Å; C646-Y719 HydrophobicContact CB-CE2 4.26Å; C646-Y719 HydrophobicContact CB-CG 3.97Å; C646-Y719 WeakPolarHBondContact SG-CB 3.21Å; C649-Y719 HydrophobicContact CB-CE1 3.73Å; K650-Y719 PolarHBondContact N-OH 2.91Å; L668-Y719 HydrophobicContact CD2-CD1 3.65Å; L668-Y719 HydrophobicContact CD2-CE1 4.49Å; L668-Y719 HydrophobicContact CD2-CG 4.17Å; L714-Y719 HydrophobicContact CD1-CE2 4.49Å; L714-Y719 HydrophobicContact CD2-CE2 4.32Å; E717-Y719 VanDerWaalsContact C-N 3.27Å; E717-Y719 PolarHBondContact O-N 2.79Å; Y719-A721 PolarHBondContact O-N 2.9Å | ||
| 720 | Q | 69.1 | Low | 84 | Confident | 188 Ų | 188 | 63.3 Ų | 63.3 | 88% | 0.879 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 14.2 | -174.5 | -67.1 | -172.4 | -4.3 | 0 | 0 | 114.8 | F722 | Q720-F722 PolarHBondContact O-N 3.2Š|
| 721 | A | 79.6 | Confident | 84.2 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -33.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L642 L668 S672 Y719 | L642-A721 HydrophobicContact CB-CB 4.17Å; L642-A721 HydrophobicContact CD1-CB 4.37Å; L668-A721 HydrophobicContact CD1-CB 4Å; S672-A721 WeakPolarHBondContact OG-CA 3.24Å; S672-A721 WeakPolarHBondContact OG-CB 3.36Å; Y719-A721 PolarHBondContact O-N 2.9Å |
| 722 | F | 88.2 | Confident | 84.4 | Confident | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -129.7 | 87.6 | -173.6 | -60 | -64.3 | 0 | 0 | 0 | 111.3 | G639 L642 A643 F675 H706 L709 Q720 K724 I727 | G639-F722 WeakPolarHBondContact O-CZ 3.41Å; L642-F722 HydrophobicContact CB-CE2 4.38Å; L642-F722 HydrophobicContact CB-CZ 3.94Å; A643-F722 HydrophobicContact CB-CE2 4.31Å; F675-F722 HydrophobicContact CE1-CE1 4.42Å; H706-F722 HydrophobicContact CB-CD1 4.31Å; H706-F722 HydrophobicContact CB-CD2 4.15Å; H706-F722 HydrophobicContact CB-CE2 4.49Å; H706-F722 HydrophobicContact CB-CG 4.05Å; H706-F722 WeakPolarHBondContact ND1-CB 3.47Å; H706-F722 AromaticContact ND1-CD2 3.97Å; H706-F722 AromaticContact ND1-CG 3.85Å; L709-F722 HydrophobicContact CD1-CD2 3.69Å; L709-F722 HydrophobicContact CD1-CE2 3.62Å; Q720-F722 PolarHBondContact O-N 3.2Å; F722-K724 PolarHBondContact O-N 2.84Å; F722-K724 VanDerWaalsContact O-N 3.13Å; F722-I727 HydrophobicContact CB-CD1 4.01Å; F722-I727 HydrophobicContact CB-CG1 3.89Å; F722-I727 HydrophobicContact CD1-CD1 4.03Å; F722-I727 HydrophobicContact CG-CD1 4.31Å |
| 723 | P | 91.1 | Very high | 84.6 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | trans | -58.2 | 121.3 | 176.7 | -24.7 | 34.7 | 0 | 0 | 0 | 110.9 | E725 K726 I727 | P723-E725 VanDerWaalsContact C-N 3.26Å; P723-E725 PolarHBondContact O-N 3.21Å; P723-E725 VanDerWaalsContact O-N 3.14Å; P723-K726 HydrophobicContact CB-CB 4.31Å; P723-K726 HydrophobicContact CB-CD 4.23Å; P723-K726 HydrophobicContact CB-CG 4.1Å; P723-K726 HydrophobicContact CG-CD 4.17Å; P723-K726 WeakPolarHBondContact O-CA 3.16Å; P723-K726 WeakPolarHBondContact O-CB 3.4Å; P723-K726 PolarHBondContact O-N 3.18Å; P723-I727 PolarHBondContact O-N 2.67Å | ||
| 724 | K | 89.2 | Confident | 84.9 | Confident | 82 Ų | 82 | 65 Ų | 65 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -48.8 | -45 | -175.3 | -174.8 | -171.7 | -177.1 | -176.7 | 0 | 113.4 | K716 F722 K726 I727 R728 | K716-K724 HydrophobicContact CD-CD 4.04Å; F722-K724 PolarHBondContact O-N 2.84Å; F722-K724 VanDerWaalsContact O-N 3.13Å; K724-K726 VanDerWaalsContact C-N 3.31Å; K724-K726 PolarHBondContact O-N 2.83Å; K724-I727 PolarHBondContact O-N 2.94Å; K724-R728 WeakPolarHBondContact O-CG 3.35Å; K724-R728 PolarHBondContact O-N 3.39Å |
| 725 | E | 92.7 | Very high | 85.4 | Confident | 130 Ų | 130 | 65.6 Ų | 65.6 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.5 | -36.2 | 179.7 | -65.6 | -54.1 | 132.7 | 0 | 0 | 112.7 | P723 R729 | P723-E725 VanDerWaalsContact C-N 3.26Å; P723-E725 PolarHBondContact O-N 3.21Å; P723-E725 VanDerWaalsContact O-N 3.14Å; E725-R729 WeakPolarHBondContact O-CB 3.47Å; E725-R729 PolarHBondContact O-N 3.38Å; E725-R729 VanDerWaalsContact O-N 3.12Å |
| 726 | K | 95.8 | Very high | 86.8 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.8 | -43.3 | 176.6 | -64.8 | -170 | 179 | -166 | 0 | 111.1 | D676 W680 Y685 P723 K724 R729 A730 | D676-K726 WeakPolarHBondContact OD1-CD 3.09Å; D676-K726 IonicContact OD1-NZ 2.9Å; D676-K726 PolarHBondContact OD1-NZ 2.85Å; D676-K726 IonicContact OD2-NZ 2.63Å; D676-K726 PolarHBondContact OD2-NZ 3.18Å; W680-K726 VanDerWaalsContact CD1-NZ 3.29Å; W680-K726 HydrophobicContact CD2-CB 4.48Å; W680-K726 HydrophobicContact CD2-CD 3.69Å; W680-K726 HydrophobicContact CD2-CG 4.15Å; W680-K726 HydrophobicContact CE3-CB 4.1Å; W680-K726 HydrophobicContact CE3-CD 4.06Å; W680-K726 HydrophobicContact CE3-CG 4.27Å; W680-K726 HydrophobicContact CG-CD 4.02Å; W680-K726 HydrophobicContact CH2-CB 3.76Å; W680-K726 HydrophobicContact CH2-CD 4.47Å; W680-K726 HydrophobicContact CH2-CG 3.87Å; W680-K726 HydrophobicContact CZ2-CB 4.17Å; W680-K726 HydrophobicContact CZ2-CD 4.14Å; W680-K726 HydrophobicContact CZ2-CG 3.74Å; W680-K726 HydrophobicContact CZ3-CB 3.72Å; W680-K726 HydrophobicContact CZ3-CD 4.44Å; W680-K726 HydrophobicContact CZ3-CG 4.13Å; Y685-K726 WeakPolarHBondContact OH-CB 3.33Å; P723-K726 HydrophobicContact CB-CB 4.31Å; P723-K726 HydrophobicContact CB-CD 4.23Å; P723-K726 HydrophobicContact CB-CG 4.1Å; P723-K726 HydrophobicContact CG-CD 4.17Å; P723-K726 WeakPolarHBondContact O-CA 3.16Å; P723-K726 WeakPolarHBondContact O-CB 3.4Å; P723-K726 PolarHBondContact O-N 3.18Å; K724-K726 VanDerWaalsContact C-N 3.31Å; K724-K726 PolarHBondContact O-N 2.83Å; K726-R729 PolarHBondContact O-N 2.58Å; K726-A730 WeakPolarHBondContact O-CB 3.26Å; K726-A730 PolarHBondContact O-N 2.73Å |
| 727 | I | 95.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -51 | 175.3 | -66.1 | -63.1 | 0 | 0 | 0 | 111.3 | Y685 H706 F722 P723 K724 R729 A730 L731 E784 | Y685-I727 HydrophobicContact CE2-CD1 4.25Å; H706-I727 HydrophobicContact CB-CD1 3.92Å; F722-I727 HydrophobicContact CB-CD1 4.01Å; F722-I727 HydrophobicContact CB-CG1 3.89Å; F722-I727 HydrophobicContact CD1-CD1 4.03Å; F722-I727 HydrophobicContact CG-CD1 4.31Å; P723-I727 PolarHBondContact O-N 2.67Å; K724-I727 PolarHBondContact O-N 2.94Å; I727-R729 VanDerWaalsContact C-N 3.26Å; I727-R729 PolarHBondContact O-N 2.9Å; I727-A730 PolarHBondContact O-N 2.57Å; I727-A730 VanDerWaalsContact O-N 3.16Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 HydrophobicContact CG2-CG 4.24Å; I727-L731 WeakPolarHBondContact O-CG 3.24Å; I727-L731 PolarHBondContact O-N 2.79Å; I727-E784 HydrophobicContact CG2-CG 4.1Å |
| 728 | R | 96.1 | Very high | 90.9 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.8 | -37.6 | 179.7 | -68.8 | -175.4 | 84.9 | 178.7 | 8.6 | 112 | K724 K732 E784 | K724-R728 WeakPolarHBondContact O-CG 3.35Å; K724-R728 PolarHBondContact O-N 3.39Å; R728-K732 VanDerWaalsContact O-CB 3.31Å; R728-K732 WeakPolarHBondContact O-CB 3.36Å; R728-K732 PolarHBondContact O-N 3.44Å; R728-E784 HydrophobicContact CG-CB 4.29Å; R728-E784 PolarHBondContact NE-O 3.18Å |
| 729 | R | 98.1 | Very high | 92.7 | Very high | 136 Ų | 136 | 48.5 Ų | 48.5 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.4 | -39.1 | 176.3 | -165.4 | -176.3 | -67.6 | -154.7 | -9.3 | 112.6 | W680 G682 K683 E725 K726 I727 K732 S733 | W680-R729 HydrophobicContact CH2-CB 4.2Å; W680-R729 HydrophobicContact CH2-CG 4.47Å; G682-R729 WeakPolarHBondContact O-CD 3.32Å; G682-R729 PolarHBondContact O-NH1 3.45Å; K683-R729 CarbonylContact O-C 3.58Å; K683-R729 WeakPolarHBondContact O-CD 3.35Å; K683-R729 WeakPolarHBondContact O-CG 3.4Å; E725-R729 WeakPolarHBondContact O-CB 3.47Å; E725-R729 PolarHBondContact O-N 3.38Å; E725-R729 VanDerWaalsContact O-N 3.12Å; K726-R729 PolarHBondContact O-N 2.58Å; I727-R729 VanDerWaalsContact C-N 3.26Å; I727-R729 PolarHBondContact O-N 2.9Å; R729-K732 PolarHBondContact O-N 3.01Å; R729-S733 PolarHBondContact O-N 3.27Å; R729-S733 PolarHBondContact O-OG 3.23Å |
| 730 | A | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -50.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | K683 Y685 K726 I727 K732 S733 V734 | K683-A730 PolarHBondContact O-N 3.3Å; Y685-A730 HydrophobicContact CD2-CB 4.21Å; Y685-A730 HydrophobicContact CE2-CB 4.45Å; K726-A730 WeakPolarHBondContact O-CB 3.26Å; K726-A730 PolarHBondContact O-N 2.73Å; I727-A730 PolarHBondContact O-N 2.57Å; I727-A730 VanDerWaalsContact O-N 3.16Å; A730-K732 VanDerWaalsContact C-N 3.32Å; A730-K732 PolarHBondContact O-N 3.4Å; A730-S733 WeakPolarHBondContact O-CA 3.15Å; A730-S733 WeakPolarHBondContact O-CB 3.33Å; A730-S733 PolarHBondContact O-N 2.94Å; A730-V734 WeakPolarHBondContact O-CG2 3.38Å; A730-V734 PolarHBondContact O-N 2.97Å |
| 731 | L | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 176.3 | -68.1 | 173.1 | 0 | 0 | 0 | 112.3 | C703 I727 S733 V734 F735 L777 T780 M781 E784 M786 | C703-L731 HydrophobicContact CB-CD2 4.29Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 HydrophobicContact CG2-CG 4.24Å; I727-L731 WeakPolarHBondContact O-CG 3.24Å; I727-L731 PolarHBondContact O-N 2.79Å; L731-S733 VanDerWaalsContact C-N 3.33Å; L731-S733 PolarHBondContact O-N 2.87Å; L731-V734 PolarHBondContact O-N 3.36Å; L731-F735 PolarHBondContact O-N 3Å; L731-L777 HydrophobicContact CD2-CD1 3.83Å; L731-T780 HydrophobicContact CD1-CG2 4.09Å; L731-T780 HydrophobicContact CD2-CG2 3.9Å; L731-M781 HydrophobicContact CD2-CG 4.39Å; L731-E784 HydrophobicContact CD1-CB 4.1Å; L731-E784 HydrophobicContact CD1-CG 3.94Å; L731-M786 HydrophobicContact CB-CE 4.3Å; L731-M786 HydrophobicContact CB-SD 3.91Å; L731-M786 HydrophobicContact CD1-SD 4.35Å |
| 732 | K | 98.7 | Very high | 96.5 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -39 | 174.6 | -171.8 | 60.6 | 166.9 | 76.2 | 0 | 112 | R728 R729 A730 F735 D736 M786 | R728-K732 VanDerWaalsContact O-CB 3.31Å; R728-K732 WeakPolarHBondContact O-CB 3.36Å; R728-K732 PolarHBondContact O-N 3.44Å; R729-K732 PolarHBondContact O-N 3.01Å; A730-K732 VanDerWaalsContact C-N 3.32Å; A730-K732 PolarHBondContact O-N 3.4Å; K732-F735 PolarHBondContact O-N 3.13Å; K732-D736 IonicContact NZ-OD1 3.52Å; K732-D736 PolarHBondContact NZ-OD1 2.91Å; K732-D736 IonicContact NZ-OD2 3.32Å; K732-D736 PolarHBondContact NZ-OD2 3.3Å; K732-D736 WeakPolarHBondContact O-CB 3.3Å; K732-D736 VanDerWaalsContact O-CG 3.28Å; K732-D736 PolarHBondContact O-N 2.99Å; K732-M786 HydrophobicContact CB-CE 4.25Å; K732-M786 HydrophobicContact CD-CE 4.17Å |
| 733 | S | 98.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 175.3 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | R729 A730 L731 D736 L737 | R729-S733 PolarHBondContact O-N 3.27Å; R729-S733 PolarHBondContact O-OG 3.23Å; A730-S733 WeakPolarHBondContact O-CA 3.15Å; A730-S733 WeakPolarHBondContact O-CB 3.33Å; A730-S733 PolarHBondContact O-N 2.94Å; L731-S733 VanDerWaalsContact C-N 3.33Å; L731-S733 PolarHBondContact O-N 2.87Å; S733-D736 PolarHBondContact O-N 3.47Å; S733-L737 WeakPolarHBondContact O-CB 3.44Å; S733-L737 PolarHBondContact O-N 3.37Å |
| 734 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | I698 Q702 A730 L731 N738 V739 L777 | I698-V734 HydrophobicContact CG2-CG2 3.74Å; Q702-V734 HydrophobicContact CG-CG2 4.46Å; A730-V734 WeakPolarHBondContact O-CG2 3.38Å; A730-V734 PolarHBondContact O-N 2.97Å; L731-V734 PolarHBondContact O-N 3.36Å; V734-N738 HydrophobicContact CG1-CB 4.01Å; V734-N738 WeakPolarHBondContact O-CA 3.48Å; V734-N738 VanDerWaalsContact O-CB 3.27Å; V734-N738 WeakPolarHBondContact O-CB 3.19Å; V734-N738 PolarHBondContact O-N 2.94Å; V734-V739 PolarHBondContact O-N 2.87Å; V734-L777 HydrophobicContact CG1-CD1 4.06Å; V734-L777 HydrophobicContact CG1-CD2 3.52Å; V734-L777 HydrophobicContact CG1-CG 4.42Å |
| 735 | F | 98.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 44.6 Ų | 44.6 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -61.9 | -48.3 | 177.9 | -177.1 | -106.9 | 0 | 0 | 0 | 112.2 | L731 K732 L737 V739 M740 M781 E789 R792 | L731-F735 PolarHBondContact O-N 3Å; K732-F735 PolarHBondContact O-N 3.13Å; F735-L737 VanDerWaalsContact C-N 3.34Å; F735-L737 PolarHBondContact O-N 3.45Å; F735-V739 HydrophobicContact CD2-CB 4.15Å; F735-V739 HydrophobicContact CD2-CG1 4.25Å; F735-V739 HydrophobicContact CD2-CG2 4.37Å; F735-V739 HydrophobicContact CE2-CG1 4.18Å; F735-V739 VanDerWaalsContact O-CB 3.32Å; F735-V739 WeakPolarHBondContact O-CB 3.44Å; F735-V739 PolarHBondContact O-N 2.84Å; F735-M740 HydrophobicContact CD1-CG 4.05Å; F735-M740 HydrophobicContact CE1-CG 3.62Å; F735-M740 HydrophobicContact CE1-SD 4.18Å; F735-M740 HydrophobicContact CE2-CG 4.21Å; F735-M740 HydrophobicContact CE2-SD 4.2Å; F735-M740 HydrophobicContact CZ-CG 3.72Å; F735-M740 HydrophobicContact CZ-SD 3.7Å; F735-M740 WeakPolarHBondContact O-CG 3.46Å; F735-M740 PolarHBondContact O-N 3.35Å; F735-M781 HydrophobicContact CB-CE 3.75Å; F735-M781 HydrophobicContact CD2-CE 4.29Å; F735-M781 HydrophobicContact CD2-SD 4.46Å; F735-M781 HydrophobicContact CG-CE 4.48Å; F735-E789 HydrophobicContact CD1-CB 4.21Å; F735-E789 HydrophobicContact CD1-CG 3.64Å; F735-E789 HydrophobicContact CD2-CB 3.6Å; F735-E789 HydrophobicContact CD2-CG 3.99Å; F735-E789 HydrophobicContact CE1-CB 4.33Å; F735-E789 HydrophobicContact CE1-CG 3.7Å; F735-E789 HydrophobicContact CE2-CB 3.75Å; F735-E789 HydrophobicContact CE2-CG 4.06Å; F735-E789 WeakPolarHBondContact CE2-O 3.45Å; F735-E789 HydrophobicContact CG-CB 3.84Å; F735-E789 HydrophobicContact CG-CG 3.78Å; F735-E789 HydrophobicContact CZ-CB 4.11Å; F735-E789 HydrophobicContact CZ-CG 3.91Å; F735-R792 HydrophobicContact CE2-CB 4.12Å; F735-R792 HydrophobicContact CE2-CG 4.12Å; F735-R792 HydrophobicContact CZ-CB 4.37Å; F735-R792 HydrophobicContact CZ-CG 4.2Å |
| 736 | D | 98.7 | Very high | 97.2 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 34% | 0.342 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -67.2 | -36.3 | -176.5 | -69.5 | -18.8 | 0 | 0 | 0 | 112.5 | K732 S733 S741 | K732-D736 IonicContact NZ-OD1 3.52Å; K732-D736 PolarHBondContact NZ-OD1 2.91Å; K732-D736 IonicContact NZ-OD2 3.32Å; K732-D736 PolarHBondContact NZ-OD2 3.3Å; K732-D736 WeakPolarHBondContact O-CB 3.3Å; K732-D736 VanDerWaalsContact O-CG 3.28Å; K732-D736 PolarHBondContact O-N 2.99Å; S733-D736 PolarHBondContact O-N 3.47Å; D736-S741 PolarHBondContact O-N 2.82Å; D736-S741 PolarHBondContact O-OG 2.84Å |
| 737 | L | 98.6 | Very high | 97.2 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -97.9 | -67 | -174.7 | -62.1 | 174.6 | 0 | 0 | 0 | 111.5 | I698 S733 F735 V739 S741 M753 | I698-L737 HydrophobicContact CD1-CD1 3.56Å; I698-L737 HydrophobicContact CG1-CD1 3.95Å; S733-L737 WeakPolarHBondContact O-CB 3.44Å; S733-L737 PolarHBondContact O-N 3.37Å; F735-L737 VanDerWaalsContact C-N 3.34Å; F735-L737 PolarHBondContact O-N 3.45Å; L737-V739 PolarHBondContact O-N 3.49Å; L737-S741 VanDerWaalsContact O-CB 3.24Å; L737-S741 WeakPolarHBondContact O-CB 3.46Å; L737-S741 PolarHBondContact O-N 3.12Å; L737-M753 HydrophobicContact CB-CB 4.48Å; L737-M753 HydrophobicContact CB-CG 3.73Å; L737-M753 WeakPolarHBondContact O-CE 3.29Å |
| 738 | N | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -66.1 | -24.3 | -174.1 | -58.5 | 63.8 | 0 | 0 | 0 | 113.8 | I698 V734 F742 A749 V750 M753 | I698-N738 WeakPolarHBondContact CG2-OD1 3.24Å; I698-N738 PolarHBondContact O-ND2 3.18Å; V734-N738 HydrophobicContact CG1-CB 4.01Å; V734-N738 WeakPolarHBondContact O-CA 3.48Å; V734-N738 VanDerWaalsContact O-CB 3.27Å; V734-N738 WeakPolarHBondContact O-CB 3.19Å; V734-N738 PolarHBondContact O-N 2.94Å; N738-F742 VanDerWaalsContact O-CB 3.26Å; N738-F742 WeakPolarHBondContact O-CB 3.32Å; N738-A749 HydrophobicContact CB-CB 4.42Å; N738-A749 WeakPolarHBondContact O-CA 3.37Å; N738-V750 HydrophobicContact CB-CG1 4.4Å; N738-V750 WeakPolarHBondContact CB-O 3.44Å; N738-V750 PolarHBondContact ND2-O 2.73Å; N738-V750 PolarHBondContact O-N 2.79Å; N738-M753 HydrophobicContact CB-CB 4.42Å |
| 739 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -103.8 | -66.5 | 178.4 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | V734 F735 L737 S741 F742 G745 A749 T793 | V734-V739 PolarHBondContact O-N 2.87Å; F735-V739 HydrophobicContact CD2-CB 4.15Å; F735-V739 HydrophobicContact CD2-CG1 4.25Å; F735-V739 HydrophobicContact CD2-CG2 4.37Å; F735-V739 HydrophobicContact CE2-CG1 4.18Å; F735-V739 VanDerWaalsContact O-CB 3.32Å; F735-V739 WeakPolarHBondContact O-CB 3.44Å; F735-V739 PolarHBondContact O-N 2.84Å; L737-V739 PolarHBondContact O-N 3.49Å; V739-S741 PolarHBondContact O-N 3.07Å; V739-F742 CarbonylContact O-C 3.48Å; V739-F742 PolarHBondContact O-N 3.13Å; V739-F742 VanDerWaalsContact O-N 3.12Å; V739-G745 WeakPolarHBondContact O-CA 3.47Å; V739-G745 PolarHBondContact O-N 3.28Å; V739-A749 HydrophobicContact CG2-CB 3.64Å; V739-T793 HydrophobicContact CG2-CG2 3.77Å |
| 740 | M | 98.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 28.2 Ų | 28.2 | 35% | 0.345 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -71.9 | -31.7 | -169.7 | -66.3 | -55.2 | -57 | 0 | 0 | 113.4 | F735 F742 E744 R792 | F735-M740 HydrophobicContact CD1-CG 4.05Å; F735-M740 HydrophobicContact CE1-CG 3.62Å; F735-M740 HydrophobicContact CE1-SD 4.18Å; F735-M740 HydrophobicContact CE2-CG 4.21Å; F735-M740 HydrophobicContact CE2-SD 4.2Å; F735-M740 HydrophobicContact CZ-CG 3.72Å; F735-M740 HydrophobicContact CZ-SD 3.7Å; F735-M740 WeakPolarHBondContact O-CG 3.46Å; F735-M740 PolarHBondContact O-N 3.35Å; M740-F742 VanDerWaalsContact C-N 3.3Å; M740-E744 VanDerWaalsContact O-CA 3.28Å; M740-E744 WeakPolarHBondContact O-CA 3.18Å; M740-R792 HydrophobicContact SD-CG 4.35Å |
| 741 | S | 97.1 | Very high | 97.4 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 45% | 0.448 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.2 | 173.8 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | D736 L737 V739 | D736-S741 PolarHBondContact O-N 2.82Å; D736-S741 PolarHBondContact O-OG 2.84Å; L737-S741 VanDerWaalsContact O-CB 3.24Å; L737-S741 WeakPolarHBondContact O-CB 3.46Å; L737-S741 PolarHBondContact O-N 3.12Å; V739-S741 PolarHBondContact O-N 3.07Å |
| 742 | F | 96.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -101 | 100.9 | 175.9 | -174.3 | -106.1 | 0 | 0 | 0 | 110.8 | N738 V739 M740 E744 G745 M747 V750 M753 P759 V769 E817 | N738-F742 VanDerWaalsContact O-CB 3.26Å; N738-F742 WeakPolarHBondContact O-CB 3.32Å; V739-F742 CarbonylContact O-C 3.48Å; V739-F742 PolarHBondContact O-N 3.13Å; V739-F742 VanDerWaalsContact O-N 3.12Å; M740-F742 VanDerWaalsContact C-N 3.3Å; F742-E744 PolarHBondContact O-N 3.06Å; F742-E744 VanDerWaalsContact O-N 3.15Å; F742-G745 PolarHBondContact O-N 2.91Å; F742-G745 VanDerWaalsContact O-N 3.14Å; F742-M747 HydrophobicContact CD1-CB 4.07Å; F742-M747 HydrophobicContact CE1-CB 3.7Å; F742-V750 HydrophobicContact CB-CG1 4.09Å; F742-V750 HydrophobicContact CD1-CB 4.13Å; F742-V750 HydrophobicContact CD2-CB 3.83Å; F742-V750 HydrophobicContact CD2-CG1 3.87Å; F742-V750 HydrophobicContact CD2-CG2 4.4Å; F742-V750 HydrophobicContact CE1-CB 4.28Å; F742-V750 HydrophobicContact CE2-CB 3.99Å; F742-V750 HydrophobicContact CE2-CG1 4.47Å; F742-V750 HydrophobicContact CE2-CG2 4.18Å; F742-V750 HydrophobicContact CG-CB 3.89Å; F742-V750 HydrophobicContact CG-CG1 3.92Å; F742-V750 HydrophobicContact CZ-CB 4.21Å; F742-V750 HydrophobicContact CZ-CG2 4.49Å; F742-M753 HydrophobicContact CB-CE 4.07Å; F742-P759 HydrophobicContact CD2-CG 4.19Å; F742-P759 HydrophobicContact CE2-CG 4.42Å; F742-V769 HydrophobicContact CD1-CG2 4.2Å; F742-V769 HydrophobicContact CE1-CG2 3.42Å; F742-V769 VanDerWaalsContact CE1-CG2 3.42Å; F742-V769 HydrophobicContact CZ-CG2 3.99Å; F742-E817 HydrophobicContact CE2-CB 4.03Å; F742-E817 HydrophobicContact CZ-CB 3.95Å |
| 743 | S | 93.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 24.4 Ų | 24.4 | 24% | 0.238 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | 50.7 | 39.2 | -178.1 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | G745 H746 M747 E817 | S743-G745 PolarHBondContact O-N 3.36Å; S743-G745 VanDerWaalsContact O-N 3.14Å; S743-H746 VanDerWaalsContact O-CB 3.3Å; S743-H746 WeakPolarHBondContact O-CB 3.17Å; S743-H746 PolarHBondContact O-CD2 2.73Å; S743-H746 PolarHBondContact O-N 3.21Å; S743-M747 PolarHBondContact OG-SD 3.36Å; S743-E817 PolarHBondContact OG-OE1 2.85Å |
| 744 | E | 94.9 | Very high | 97.3 | Very high | 140 Ų | 140 | 25.1 Ų | 25.1 | 65% | 0.654 | 13% | 0.13 | S | C | * | . | G | 310 helix | trans | 57.4 | 27.5 | 177.9 | -55.7 | 176.7 | -178.9 | 0 | 0 | 114.2 | M740 F742 H746 R792 | M740-E744 VanDerWaalsContact O-CA 3.28Å; M740-E744 WeakPolarHBondContact O-CA 3.18Å; F742-E744 PolarHBondContact O-N 3.06Å; F742-E744 VanDerWaalsContact O-N 3.15Å; E744-H746 PolarHBondContact O-N 3.2Å; E744-R792 PolarHBondContact O-NH2 3.37Å |
| 745 | G | 94.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | 73.5 | 12.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | V739 F742 S743 M747 | V739-G745 WeakPolarHBondContact O-CA 3.47Å; V739-G745 PolarHBondContact O-N 3.28Å; F742-G745 PolarHBondContact O-N 2.91Å; F742-G745 VanDerWaalsContact O-N 3.14Å; S743-G745 PolarHBondContact O-N 3.36Å; S743-G745 VanDerWaalsContact O-N 3.14Å; G745-M747 VanDerWaalsContact C-N 3.27Å; G745-M747 PolarHBondContact O-N 2.79Å |
| 746 | H | 93.8 | Very high | 97 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 22% | 0.222 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.2 | 179 | -68 | -59.4 | 0 | 0 | 0 | 114.1 | W5 S743 E744 R792 G796 T800 | W5-H746 AromaticContact CH2-CE1 3.24Å; W5-H746 WeakPolarHBondContact CH2-CE1 3.46Å; W5-H746 AromaticContact CH2-NE2 3.8Å; W5-H746 AromaticContact CZ3-CE1 3.38Å; W5-H746 WeakPolarHBondContact CZ3-CE1 3.11Å; S743-H746 VanDerWaalsContact O-CB 3.3Å; S743-H746 WeakPolarHBondContact O-CB 3.17Å; S743-H746 PolarHBondContact O-CD2 2.73Å; S743-H746 PolarHBondContact O-N 3.21Å; E744-H746 PolarHBondContact O-N 3.2Å; H746-R792 PolarHBondContact CE1-NH2 3.12Å; H746-R792 PolarHBondContact ND1-NH2 2.65Å; H746-G796 CarbonylContact C-O 3.56Å; H746-G796 CarbonylContact O-C 3.57Å; H746-T800 PolarHBondContact O-OG1 2.75Å |
| 747 | M | 95.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 5% | 0.054 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 14 | -174.1 | -70.6 | -169.2 | 62.4 | 0 | 0 | 113.8 | F742 S743 G745 V769 T800 Y815 | F742-M747 HydrophobicContact CD1-CB 4.07Å; F742-M747 HydrophobicContact CE1-CB 3.7Å; S743-M747 PolarHBondContact OG-SD 3.36Å; G745-M747 VanDerWaalsContact C-N 3.27Å; G745-M747 PolarHBondContact O-N 2.79Å; M747-V769 WeakPolarHBondContact O-CG1 3.27Å; M747-T800 HydrophobicContact CE-CG2 4.45Å; M747-Y815 HydrophobicContact CB-CE2 4.26Å; M747-Y815 HydrophobicContact CE-CD2 3.75Å; M747-Y815 HydrophobicContact CE-CE2 3.62Å; M747-Y815 PolarHBondContact O-OH 3.35Å |
| 748 | G | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 83.6 | -150.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T793 | G748-T793 WeakPolarHBondContact CA-O 3.46Š| ||
| 749 | A | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | trans | -110.9 | 121.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N738 V739 V774 L777 T793 | N738-A749 HydrophobicContact CB-CB 4.42Å; N738-A749 WeakPolarHBondContact O-CA 3.37Å; V739-A749 HydrophobicContact CG2-CB 3.64Å; A749-V774 HydrophobicContact CB-CG2 4.07Å; A749-L777 HydrophobicContact CB-CD2 3.76Å; A749-T793 HydrophobicContact CB-CG2 4.3Å | ||
| 750 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -70.1 | 141.4 | 169.2 | 67.4 | 0 | 0 | 0 | 0 | 110 | N738 F742 G752 M753 S766 V769 | N738-V750 HydrophobicContact CB-CG1 4.4Å; N738-V750 WeakPolarHBondContact CB-O 3.44Å; N738-V750 PolarHBondContact ND2-O 2.73Å; N738-V750 PolarHBondContact O-N 2.79Å; F742-V750 HydrophobicContact CB-CG1 4.09Å; F742-V750 HydrophobicContact CD1-CB 4.13Å; F742-V750 HydrophobicContact CD2-CB 3.83Å; F742-V750 HydrophobicContact CD2-CG1 3.87Å; F742-V750 HydrophobicContact CD2-CG2 4.4Å; F742-V750 HydrophobicContact CE1-CB 4.28Å; F742-V750 HydrophobicContact CE2-CB 3.99Å; F742-V750 HydrophobicContact CE2-CG1 4.47Å; F742-V750 HydrophobicContact CE2-CG2 4.18Å; F742-V750 HydrophobicContact CG-CB 3.89Å; F742-V750 HydrophobicContact CG-CG1 3.92Å; F742-V750 HydrophobicContact CZ-CB 4.21Å; F742-V750 HydrophobicContact CZ-CG2 4.49Å; V750-G752 PolarHBondContact O-N 3.43Å; V750-M753 HydrophobicContact CG1-CE 3.5Å; V750-M753 VanDerWaalsContact CG1-CE 3.5Å; V750-S766 WeakPolarHBondContact CG2-O 3.24Å; V750-V769 HydrophobicContact CB-CG2 4.48Å | ||
| 751 | N | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -62 | -46.6 | -171.3 | -76.2 | -22.1 | 0 | 0 | 0 | 113.1 | Y625 W628 M699 S700 Q765 E768 W770 | Y625-N751 HydrophobicContact CE1-CB 4.43Å; W628-N751 HydrophobicContact CZ3-CB 4.21Å; M699-N751 CarbonylContact C-O 2.89Å; M699-N751 VanDerWaalsContact CA-O 3.29Å; M699-N751 WeakPolarHBondContact CA-O 3.47Å; S700-N751 PolarHBondContact N-O 2.88Å; S700-N751 WeakPolarHBondContact OG-CA 3.24Å; S700-N751 PolarHBondContact OG-OD1 3.25Å; N751-Q765 WeakPolarHBondContact CB-O 3.3Å; N751-Q765 PolarHBondContact ND2-O 2.96Å; N751-E768 WeakPolarHBondContact CB-O 3.18Å; N751-E768 PolarHBondContact N-O 3.35Å; N751-E768 PolarHBondContact ND2-O 2.99Å; N751-W770 VanDerWaalsContact ND2-CG 3.29Å; N751-W770 PolarHBondContact ND2-NE1 3.09Å |
| 752 | G | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V750 D760 S766 | V750-G752 PolarHBondContact O-N 3.43Å; G752-D760 PolarHBondContact O-N 3.06Å; G752-S766 WeakPolarHBondContact CA-O 3.49Å; G752-S766 PolarHBondContact N-O 3.09Å |
| 753 | M | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.7 | 175.4 | -173.8 | 59.5 | 78.7 | 0 | 0 | 109.6 | I698 L737 N738 F742 V750 V758 P759 | I698-M753 HydrophobicContact CB-CB 4.47Å; I698-M753 VanDerWaalsContact CD1-O 3.22Å; I698-M753 WeakPolarHBondContact CD1-O 3.21Å; I698-M753 PolarHBondContact N-O 2.81Å; I698-M753 PolarHBondContact O-N 3.36Å; L737-M753 HydrophobicContact CB-CB 4.48Å; L737-M753 HydrophobicContact CB-CG 3.73Å; L737-M753 WeakPolarHBondContact O-CE 3.29Å; N738-M753 HydrophobicContact CB-CB 4.42Å; F742-M753 HydrophobicContact CB-CE 4.07Å; V750-M753 HydrophobicContact CG1-CE 3.5Å; V750-M753 VanDerWaalsContact CG1-CE 3.5Å; M753-V758 PolarHBondContact SD-N 2.71Å; M753-P759 HydrophobicContact CE-CG 4.25Å; M753-P759 VanDerWaalsContact SD-N 3.43Å |
| 754 | R | 97.5 | Very high | 94.8 | Very high | 32 Ų | 32 | 35 Ų | 35 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | trans | -78.2 | 151.6 | 174 | -58.2 | -62.1 | -60.3 | 153.5 | -1 | 110 | A693 L694 N696 S697 E756 G757 V758 | A693-R754 PolarHBondContact O-NH2 3.44Å; L694-R754 VanDerWaalsContact CA-NH1 3.33Å; L694-R754 VanDerWaalsContact CD2-CZ 3.43Å; N696-R754 VanDerWaalsContact OD1-CZ 3.25Å; N696-R754 PolarHBondContact OD1-NH1 3.47Å; N696-R754 PolarHBondContact OD1-NH2 3.46Å; S697-R754 PolarHBondContact OG-NH1 2.85Å; R754-E756 WeakPolarHBondContact CB-OE2 3.16Å; R754-E756 PolarHBondContact O-N 3.48Å; R754-G757 PolarHBondContact O-N 3.33Å; R754-V758 HydrophobicContact CB-CG2 3.77Å; R754-V758 WeakPolarHBondContact CB-O 3.34Å; R754-V758 HydrophobicContact CG-CG2 3.92Å; R754-V758 VanDerWaalsContact CG-O 3.26Å; R754-V758 WeakPolarHBondContact CG-O 3.43Å; R754-V758 PolarHBondContact N-O 3.36Å | ||
| 755 | P | 96.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.9 | 178.7 | 21.3 | -29.4 | 0 | 0 | 0 | 113.9 | I698 G757 | I698-P755 HydrophobicContact CD1-CB 4.24Å; P755-G757 PolarHBondContact O-N 3.17Å |
| 756 | E | 95.4 | Very high | 94.7 | Very high | 135 Ų | 135 | 28.7 Ų | 28.7 | 63% | 0.631 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -4.5 | 173 | -58.4 | 76 | -158.5 | 0 | 0 | 113.7 | R754 | R754-E756 WeakPolarHBondContact CB-OE2 3.16Å; R754-E756 PolarHBondContact O-N 3.48Å |
| 757 | G | 94.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 83.5 | 23.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | R754 P755 | R754-G757 PolarHBondContact O-N 3.33Å; P755-G757 PolarHBondContact O-N 3.17Å |
| 758 | V | 94.6 | Very high | 94.7 | Very high | 80 Ų | 80 | 26.8 Ų | 26.8 | 49% | 0.485 | 15% | 0.15 | S | C | . | . | trans | -114.1 | 138.8 | 174.4 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | M753 R754 | M753-V758 PolarHBondContact SD-N 2.71Å; R754-V758 HydrophobicContact CB-CG2 3.77Å; R754-V758 WeakPolarHBondContact CB-O 3.34Å; R754-V758 HydrophobicContact CG-CG2 3.92Å; R754-V758 VanDerWaalsContact CG-O 3.26Å; R754-V758 WeakPolarHBondContact CG-O 3.43Å; R754-V758 PolarHBondContact N-O 3.36Å | ||
| 759 | P | 94.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 17% | 0.169 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -55.4 | 144.4 | -179.5 | -26.8 | 34.5 | 0 | 0 | 0 | 112.7 | F742 M753 H761 | F742-P759 HydrophobicContact CD2-CG 4.19Å; F742-P759 HydrophobicContact CE2-CG 4.42Å; M753-P759 HydrophobicContact CE-CG 4.25Å; M753-P759 VanDerWaalsContact SD-N 3.43Å; P759-H761 PolarHBondContact O-CD2 3.26Å; P759-H761 PolarHBondContact O-N 2.92Å |
| 760 | D | 94 | Very high | 94.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | trans | -76.3 | 119.6 | 172.6 | -173.8 | -20.2 | 0 | 0 | 0 | 109.2 | S697 G752 S762 S766 D767 | S697-D760 WeakPolarHBondContact CB-OD2 3.47Å; S697-D760 PolarHBondContact OG-OD2 2.87Å; G752-D760 PolarHBondContact O-N 3.06Å; D760-S762 VanDerWaalsContact OD1-CB 3.23Å; D760-S762 WeakPolarHBondContact OD1-CB 3.41Å; D760-S762 PolarHBondContact OD1-N 2.85Å; D760-S762 PolarHBondContact OD1-OG 3.4Å; D760-S766 CarbonylContact O-C 3.49Å; D760-S766 VanDerWaalsContact O-C 3.28Å; D760-S766 WeakPolarHBondContact O-CB 3.07Å; D760-S766 PolarHBondContact O-OG 2.75Å; D760-D767 PolarHBondContact O-N 3.18Å | ||
| 761 | H | 90.6 | Very high | 94.7 | Very high | 96 Ų | 96 | 26.8 Ų | 26.8 | 44% | 0.444 | 15% | 0.15 | S | C | . | . | trans | -106.9 | 19.9 | -179.5 | -59.8 | -59.2 | 0 | 0 | 0 | 113.3 | P759 S763 D767 | P759-H761 PolarHBondContact O-CD2 3.26Å; P759-H761 PolarHBondContact O-N 2.92Å; H761-S763 VanDerWaalsContact C-N 3.31Å; H761-D767 VanDerWaalsContact CE1-CG 3.48Å; H761-D767 IonicContact CE1-OD1 3.12Å; H761-D767 PolarHBondContact CE1-OD1 2.59Å; H761-D767 VanDerWaalsContact CE1-OD1 3.28Å; H761-D767 IonicContact CE1-OD2 3.24Å; H761-D767 PolarHBondContact CE1-OD2 2.79Å; H761-D767 IonicContact ND1-OD1 2.76Å; H761-D767 PolarHBondContact ND1-OD1 3.2Å; H761-D767 IonicContact ND1-OD2 2.7Å; H761-D767 PolarHBondContact ND1-OD2 2.91Å; H761-D767 VanDerWaalsContact ND1-OD2 3.12Å | ||
| 762 | S | 88.3 | Confident | 94.7 | Very high | 40 Ų | 40 | 26.8 Ų | 26.8 | 28% | 0.28 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -66.5 | -33.7 | 176.8 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | N55 W628 D760 S766 | N55-S762 PolarHBondContact ND2-O 2.66Å; W628-S762 PolarHBondContact NE1-OG 3.24Å; D760-S762 VanDerWaalsContact OD1-CB 3.23Å; D760-S762 WeakPolarHBondContact OD1-CB 3.41Å; D760-S762 PolarHBondContact OD1-N 2.85Å; D760-S762 PolarHBondContact OD1-OG 3.4Å; S762-S766 PolarHBondContact N-OG 3.12Å |
| 763 | S | 88.4 | Confident | 94.7 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -128.5 | 159.1 | 174.1 | -178 | 0 | 0 | 0 | 0 | 109.9 | G627 H761 Q765 S766 | G627-S763 VanDerWaalsContact C-OG 3.28Å; G627-S763 WeakPolarHBondContact O-CB 3.28Å; G627-S763 PolarHBondContact O-OG 2.99Å; H761-S763 VanDerWaalsContact C-N 3.31Å; S763-Q765 PolarHBondContact O-N 3.38Å; S763-Q765 PolarHBondContact OG-N 3.43Å; S763-Q765 VanDerWaalsContact OG-N 3.12Å; S763-S766 PolarHBondContact N-OG 3.45Å; S763-S766 PolarHBondContact O-N 3.48Å; S763-S766 PolarHBondContact O-OG 2.93Å |
| 764 | V | 87.8 | Confident | 94.8 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 24% | 0.236 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -40.9 | 164.4 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | F46 S766 D767 E768 | F46-V764 HydrophobicContact CD2-CG1 3.78Å; F46-V764 HydrophobicContact CE1-CG2 4.3Å; F46-V764 HydrophobicContact CE2-CB 4.15Å; F46-V764 HydrophobicContact CE2-CG1 3.38Å; F46-V764 HydrophobicContact CE2-CG2 3.6Å; F46-V764 HydrophobicContact CZ-CB 4.21Å; F46-V764 HydrophobicContact CZ-CG1 3.82Å; F46-V764 HydrophobicContact CZ-CG2 3.36Å; V764-S766 VanDerWaalsContact C-N 3.3Å; V764-S766 PolarHBondContact O-N 3.35Å; V764-D767 PolarHBondContact O-N 3.13Å; V764-E768 HydrophobicContact CG1-CG 4.39Å; V764-E768 VanDerWaalsContact O-CG 3.3Å; V764-E768 WeakPolarHBondContact O-CG 3.41Å; V764-E768 PolarHBondContact O-N 3.39Å |
| 765 | Q | 93.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -70.9 | -26.2 | -176.5 | -65.8 | 179.6 | -24.4 | 0 | 0 | 112.9 | Y625 D626 G627 W628 N751 S763 D767 E768 W770 | Y625-Q765 PolarHBondContact O-OE1 3.07Å; D626-Q765 PolarHBondContact OD1-NE2 3.42Å; G627-Q765 VanDerWaalsContact CA-OE1 3.29Å; G627-Q765 VanDerWaalsContact N-CD 3.32Å; W628-Q765 HydrophobicContact CB-CB 4.42Å; W628-Q765 VanDerWaalsContact N-OE1 3.16Å; N751-Q765 WeakPolarHBondContact CB-O 3.3Å; N751-Q765 PolarHBondContact ND2-O 2.96Å; S763-Q765 PolarHBondContact O-N 3.38Å; S763-Q765 PolarHBondContact OG-N 3.43Å; S763-Q765 VanDerWaalsContact OG-N 3.12Å; Q765-D767 VanDerWaalsContact C-N 3.32Å; Q765-E768 PolarHBondContact O-N 2.82Å; Q765-W770 HydrophobicContact CB-CZ2 4.09Å; Q765-W770 HydrophobicContact CG-CZ2 3.8Å |
| 766 | S | 94.3 | Very high | 95 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -73.3 | -27 | 175.4 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | V750 G752 D760 S762 S763 V764 | V750-S766 WeakPolarHBondContact CG2-O 3.24Å; G752-S766 WeakPolarHBondContact CA-O 3.49Å; G752-S766 PolarHBondContact N-O 3.09Å; D760-S766 CarbonylContact O-C 3.49Å; D760-S766 VanDerWaalsContact O-C 3.28Å; D760-S766 WeakPolarHBondContact O-CB 3.07Å; D760-S766 PolarHBondContact O-OG 2.75Å; S762-S766 PolarHBondContact N-OG 3.12Å; S763-S766 PolarHBondContact N-OG 3.45Å; S763-S766 PolarHBondContact O-N 3.48Å; S763-S766 PolarHBondContact O-OG 2.93Å; V764-S766 VanDerWaalsContact C-N 3.3Å; V764-S766 PolarHBondContact O-N 3.35Å |
| 767 | D | 93 | Very high | 95.1 | Very high | 17 Ų | 17 | 17 Ų | 17 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -93.9 | 6.7 | 177.6 | -166.5 | 27.2 | 0 | 0 | 0 | 113.2 | D760 H761 V764 Q765 | D760-D767 PolarHBondContact O-N 3.18Å; H761-D767 VanDerWaalsContact CE1-CG 3.48Å; H761-D767 IonicContact CE1-OD1 3.12Å; H761-D767 PolarHBondContact CE1-OD1 2.59Å; H761-D767 VanDerWaalsContact CE1-OD1 3.28Å; H761-D767 IonicContact CE1-OD2 3.24Å; H761-D767 PolarHBondContact CE1-OD2 2.79Å; H761-D767 IonicContact ND1-OD1 2.76Å; H761-D767 PolarHBondContact ND1-OD1 3.2Å; H761-D767 IonicContact ND1-OD2 2.7Å; H761-D767 PolarHBondContact ND1-OD2 2.91Å; H761-D767 VanDerWaalsContact ND1-OD2 3.12Å; V764-D767 PolarHBondContact O-N 3.13Å; Q765-D767 VanDerWaalsContact C-N 3.32Å |
| 768 | E | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 151.3 | 178.6 | -83.7 | 174.4 | 162.9 | 0 | 0 | 111.6 | N751 V764 Q765 W770 A814 C816 R822 | N751-E768 WeakPolarHBondContact CB-O 3.18Å; N751-E768 PolarHBondContact N-O 3.35Å; N751-E768 PolarHBondContact ND2-O 2.99Å; V764-E768 HydrophobicContact CG1-CG 4.39Å; V764-E768 VanDerWaalsContact O-CG 3.3Å; V764-E768 WeakPolarHBondContact O-CG 3.41Å; V764-E768 PolarHBondContact O-N 3.39Å; Q765-E768 PolarHBondContact O-N 2.82Å; E768-W770 PolarHBondContact OE2-NE1 3.39Å; E768-A814 HydrophobicContact CB-CB 4.01Å; E768-A814 HydrophobicContact CG-CB 3.89Å; E768-C816 VanDerWaalsContact CG-SG 3.56Å; E768-R822 IonicContact OE1-CZ 3.28Å; E768-R822 IonicContact OE1-NE 3.41Å; E768-R822 PolarHBondContact OE1-NE 3.09Å; E768-R822 IonicContact OE1-NH2 3.44Å; E768-R822 IonicContact OE2-CZ 3.84Å; E768-R822 IonicContact OE2-NE 2.76Å; E768-R822 PolarHBondContact OE2-NE 3.23Å; E768-R822 IonicContact OE2-NH2 2.99Å; E768-R822 PolarHBondContact OE2-NH2 2.87Å |
| 769 | V | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114 | 159.8 | 177.8 | 0 | 0 | 0 | 0 | 107.3 | F742 M747 V750 V774 A814 Y815 | F742-V769 HydrophobicContact CD1-CG2 4.2Å; F742-V769 HydrophobicContact CE1-CG2 3.42Å; F742-V769 VanDerWaalsContact CE1-CG2 3.42Å; F742-V769 HydrophobicContact CZ-CG2 3.99Å; M747-V769 WeakPolarHBondContact O-CG1 3.27Å; V750-V769 HydrophobicContact CB-CG2 4.48Å; V769-V774 HydrophobicContact CG1-CG2 3.58Å; V769-A814 VanDerWaalsContact O-CA 3.22Å; V769-A814 WeakPolarHBondContact O-CA 3.39Å; V769-Y815 HydrophobicContact CB-CD2 4.23Å; V769-Y815 HydrophobicContact CB-CE1 4.4Å; V769-Y815 HydrophobicContact CB-CE2 3.8Å; V769-Y815 HydrophobicContact CG1-CE1 4.24Å; V769-Y815 HydrophobicContact CG1-CE2 4.14Å; V769-Y815 HydrophobicContact CG2-CD2 4.48Å; V769-Y815 HydrophobicContact CG2-CE2 3.94Å; V769-Y815 PolarHBondContact N-O 3.5Å; V769-Y815 PolarHBondContact O-N 2.63Å |
| 770 | W | 98.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.4 | 173.4 | -73.5 | 12.9 | 0 | 0 | 0 | 110 | T624 Y625 N751 Q765 E768 G772 V773 V774 E813 A814 R822 | T624-W770 HydrophobicContact CG2-CZ3 4.23Å; Y625-W770 HydrophobicContact CD1-CD2 4.35Å; Y625-W770 AromaticContact CD1-CE3 4Å; Y625-W770 HydrophobicContact CD1-CE3 4Å; Y625-W770 AromaticContact CD1-CH2 3.43Å; Y625-W770 HydrophobicContact CD1-CH2 3.43Å; Y625-W770 VanDerWaalsContact CD1-CH2 3.43Å; Y625-W770 AromaticContact CD1-CZ2 3.79Å; Y625-W770 HydrophobicContact CD1-CZ2 3.79Å; Y625-W770 AromaticContact CD1-CZ3 3.52Å; Y625-W770 HydrophobicContact CD1-CZ3 3.52Å; Y625-W770 HydrophobicContact CD2-CH2 4.49Å; Y625-W770 HydrophobicContact CD2-CZ3 4.2Å; Y625-W770 AromaticContact CE1-CD2 3.94Å; Y625-W770 HydrophobicContact CE1-CD2 3.94Å; Y625-W770 AromaticContact CE1-CE3 3.51Å; Y625-W770 HydrophobicContact CE1-CE3 3.51Å; Y625-W770 AromaticContact CE1-CH2 3.87Å; Y625-W770 HydrophobicContact CE1-CH2 3.87Å; Y625-W770 HydrophobicContact CE1-CZ2 4.22Å; Y625-W770 AromaticContact CE1-CZ3 3.48Å; Y625-W770 HydrophobicContact CE1-CZ3 3.48Å; Y625-W770 VanDerWaalsContact CE1-CZ3 3.48Å; Y625-W770 HydrophobicContact CE2-CZ3 4.15Å; Y625-W770 AromaticContact CG-CH2 3.78Å; Y625-W770 HydrophobicContact CG-CH2 3.78Å; Y625-W770 HydrophobicContact CG-CZ2 4.49Å; Y625-W770 AromaticContact CG-CZ3 3.89Å; Y625-W770 HydrophobicContact CG-CZ3 3.89Å; Y625-W770 AromaticContact CZ-CE3 3.86Å; Y625-W770 AromaticContact CZ-CZ3 3.8Å; N751-W770 VanDerWaalsContact ND2-CG 3.29Å; N751-W770 PolarHBondContact ND2-NE1 3.09Å; Q765-W770 HydrophobicContact CB-CZ2 4.09Å; Q765-W770 HydrophobicContact CG-CZ2 3.8Å; E768-W770 PolarHBondContact OE2-NE1 3.39Å; W770-G772 VanDerWaalsContact C-N 3.31Å; W770-G772 PolarHBondContact O-N 2.86Å; W770-V773 HydrophobicContact CB-CB 3.86Å; W770-V773 HydrophobicContact CB-CG2 3.66Å; W770-V773 HydrophobicContact CD2-CG2 4.38Å; W770-V773 HydrophobicContact CE3-CG2 3.73Å; W770-V773 HydrophobicContact CG-CG2 4.42Å; W770-V773 PolarHBondContact O-N 3.43Å; W770-V774 WeakPolarHBondContact O-CG2 3.23Å; W770-V774 PolarHBondContact O-N 3.01Å; W770-E813 WeakPolarHBondContact CA-O 3.15Å; W770-A814 VanDerWaalsContact CD1-CB 3.45Å; W770-A814 HydrophobicContact CG-CB 4.48Å; W770-R822 VanDerWaalsContact NE1-NH2 3.15Å |
| 771 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | -169.5 | -64 | 178.4 | 0 | 0 | 0 | 111 | V773 V774 Y775 V801 T811 P812 E813 Y815 P829 | I771-V773 VanDerWaalsContact C-N 3.34Å; I771-V773 PolarHBondContact O-N 3.21Å; I771-V774 WeakPolarHBondContact O-CB 3.37Å; I771-V774 PolarHBondContact O-N 3.04Å; I771-Y775 HydrophobicContact CG2-CD2 4.09Å; I771-Y775 HydrophobicContact CG2-CE2 3.59Å; I771-Y775 WeakPolarHBondContact O-CD2 3.49Å; I771-Y775 PolarHBondContact O-N 3.27Å; I771-V801 HydrophobicContact CD1-CG1 4.34Å; I771-V801 HydrophobicContact CD1-CG2 3.46Å; I771-V801 VanDerWaalsContact CD1-CG2 3.46Å; I771-V801 HydrophobicContact CG1-CG2 4.31Å; I771-T811 HydrophobicContact CB-CG2 4.48Å; I771-T811 HydrophobicContact CD1-CG2 3.53Å; I771-T811 HydrophobicContact CG2-CG2 3.9Å; I771-P812 HydrophobicContact CD1-CG 3.73Å; I771-P812 WeakPolarHBondContact CD1-O 3.15Å; I771-E813 PolarHBondContact N-O 3.25Å; I771-Y815 HydrophobicContact CD1-CD1 4.1Å; I771-Y815 HydrophobicContact CD1-CE1 3.94Å; I771-Y815 HydrophobicContact CG1-CD1 4.2Å; I771-Y815 HydrophobicContact CG1-CE1 3.81Å; I771-P829 HydrophobicContact CB-CG 4.1Å; I771-P829 HydrophobicContact CG2-CB 3.87Å; I771-P829 HydrophobicContact CG2-CG 3.84Å |
| 772 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -69.1 | -30.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W770 G776 R828 S831 | W770-G772 VanDerWaalsContact C-N 3.31Å; W770-G772 PolarHBondContact O-N 2.86Å; G772-G776 PolarHBondContact O-N 2.93Å; G772-R828 WeakPolarHBondContact CA-O 3.4Å; G772-S831 WeakPolarHBondContact CA-OG 3.32Å; G772-S831 PolarHBondContact O-OG 3.4Å |
| 773 | V | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 1% | 0.006 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -69.7 | -39.4 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | Y491 Y625 D701 W770 I771 Y775 G776 L777 | Y491-V773 HydrophobicContact CE1-CG2 4.06Å; Y625-V773 WeakPolarHBondContact OH-CG2 3.27Å; D701-V773 HydrophobicContact CB-CG1 3.86Å; W770-V773 HydrophobicContact CB-CB 3.86Å; W770-V773 HydrophobicContact CB-CG2 3.66Å; W770-V773 HydrophobicContact CD2-CG2 4.38Å; W770-V773 HydrophobicContact CE3-CG2 3.73Å; W770-V773 HydrophobicContact CG-CG2 4.42Å; W770-V773 PolarHBondContact O-N 3.43Å; I771-V773 VanDerWaalsContact C-N 3.34Å; I771-V773 PolarHBondContact O-N 3.21Å; V773-Y775 VanDerWaalsContact C-N 3.34Å; V773-Y775 PolarHBondContact O-N 2.76Å; V773-G776 PolarHBondContact O-N 3.22Å; V773-L777 VanDerWaalsContact O-CB 3.29Å; V773-L777 WeakPolarHBondContact O-CB 3.34Å; V773-L777 PolarHBondContact O-N 3.47Å |
| 774 | V | 98.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.006 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | A749 V769 W770 I771 L777 A778 T793 C797 | A749-V774 HydrophobicContact CB-CG2 4.07Å; V769-V774 HydrophobicContact CG1-CG2 3.58Å; W770-V774 WeakPolarHBondContact O-CG2 3.23Å; W770-V774 PolarHBondContact O-N 3.01Å; I771-V774 WeakPolarHBondContact O-CB 3.37Å; I771-V774 PolarHBondContact O-N 3.04Å; V774-L777 PolarHBondContact O-N 2.88Å; V774-A778 WeakPolarHBondContact O-CB 3.35Å; V774-A778 PolarHBondContact O-N 3.06Å; V774-T793 HydrophobicContact CG1-CG2 3.84Å; V774-C797 HydrophobicContact CG1-CB 3.84Å |
| 775 | Y | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 0% | 0.004 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69.3 | -37.9 | 177.5 | -66.1 | -42.8 | 0 | 0 | 0 | 112.7 | I771 V773 A778 A779 A794 P829 S831 V832 M835 | I771-Y775 HydrophobicContact CG2-CD2 4.09Å; I771-Y775 HydrophobicContact CG2-CE2 3.59Å; I771-Y775 WeakPolarHBondContact O-CD2 3.49Å; I771-Y775 PolarHBondContact O-N 3.27Å; V773-Y775 VanDerWaalsContact C-N 3.34Å; V773-Y775 PolarHBondContact O-N 2.76Å; Y775-A778 PolarHBondContact O-N 2.67Å; Y775-A779 WeakPolarHBondContact O-CB 3.45Å; Y775-A779 PolarHBondContact O-N 3.26Å; Y775-A794 HydrophobicContact CD1-CB 3.89Å; Y775-A794 HydrophobicContact CE1-CB 3.99Å; Y775-P829 WeakPolarHBondContact CD2-O 3.47Å; Y775-P829 HydrophobicContact CE2-CB 4.4Å; Y775-S831 WeakPolarHBondContact CB-OG 3.15Å; Y775-V832 HydrophobicContact CD1-CB 4.31Å; Y775-V832 HydrophobicContact CD1-CG2 4.34Å; Y775-V832 HydrophobicContact CD2-CB 3.83Å; Y775-V832 HydrophobicContact CE1-CB 4.48Å; Y775-V832 HydrophobicContact CE1-CG2 4.31Å; Y775-V832 HydrophobicContact CE2-CB 3.99Å; Y775-V832 HydrophobicContact CG-CB 4Å; Y775-M835 HydrophobicContact CD1-SD 3.72Å; Y775-M835 HydrophobicContact CG-SD 4.41Å; Y775-M835 WeakPolarHBondContact O-CG 3.48Å |
| 776 | G | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | G772 V773 A778 A779 T780 | G772-G776 PolarHBondContact O-N 2.93Å; V773-G776 PolarHBondContact O-N 3.22Å; G776-A778 PolarHBondContact O-N 3.45Å; G776-A779 WeakPolarHBondContact O-CB 3.27Å; G776-A779 PolarHBondContact O-N 2.85Å; G776-T780 PolarHBondContact O-N 2.75Å; G776-T780 PolarHBondContact O-OG1 2.88Å |
| 777 | L | 98.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 173.9 | 174.1 | 61.3 | 0 | 0 | 0 | 111.3 | L731 V734 A749 V773 V774 A779 T780 M781 T793 | L731-L777 HydrophobicContact CD2-CD1 3.83Å; V734-L777 HydrophobicContact CG1-CD1 4.06Å; V734-L777 HydrophobicContact CG1-CD2 3.52Å; V734-L777 HydrophobicContact CG1-CG 4.42Å; A749-L777 HydrophobicContact CB-CD2 3.76Å; V773-L777 VanDerWaalsContact O-CB 3.29Å; V773-L777 WeakPolarHBondContact O-CB 3.34Å; V773-L777 PolarHBondContact O-N 3.47Å; V774-L777 PolarHBondContact O-N 2.88Å; L777-A779 VanDerWaalsContact C-N 3.33Å; L777-A779 PolarHBondContact O-N 2.77Å; L777-T780 VanDerWaalsContact O-CB 3.31Å; L777-T780 WeakPolarHBondContact O-CB 3.32Å; L777-T780 PolarHBondContact O-N 2.84Å; L777-T780 VanDerWaalsContact O-N 3.13Å; L777-M781 HydrophobicContact CD1-CE 3.9Å; L777-M781 HydrophobicContact CD2-CE 4.21Å; L777-M781 HydrophobicContact CG-CE 3.97Å; L777-M781 WeakPolarHBondContact O-CG 3.21Å; L777-M781 PolarHBondContact O-N 3.45Å; L777-T793 HydrophobicContact CD2-CG2 4.17Å |
| 778 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V774 Y775 G776 T780 M781 I782 G790 A794 M835 | V774-A778 WeakPolarHBondContact O-CB 3.35Å; V774-A778 PolarHBondContact O-N 3.06Å; Y775-A778 PolarHBondContact O-N 2.67Å; G776-A778 PolarHBondContact O-N 3.45Å; A778-T780 VanDerWaalsContact C-N 3.3Å; A778-T780 PolarHBondContact O-N 3Å; A778-M781 PolarHBondContact O-N 3.39Å; A778-I782 WeakPolarHBondContact O-CD1 3.45Å; A778-I782 VanDerWaalsContact O-CG1 3.26Å; A778-I782 WeakPolarHBondContact O-CG1 3.26Å; A778-I782 PolarHBondContact O-N 3.28Å; A778-G790 VanDerWaalsContact CB-O 3.27Å; A778-G790 WeakPolarHBondContact CB-O 3.37Å; A778-A794 HydrophobicContact CB-CB 4.02Å; A778-M835 HydrophobicContact CB-CE 4Å; A778-M835 HydrophobicContact CB-CG 4.09Å; A778-M835 HydrophobicContact CB-SD 3.85Å |
| 779 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y775 G776 L777 I782 H783 A834 M835 A838 | Y775-A779 WeakPolarHBondContact O-CB 3.45Å; Y775-A779 PolarHBondContact O-N 3.26Å; G776-A779 WeakPolarHBondContact O-CB 3.27Å; G776-A779 PolarHBondContact O-N 2.85Å; L777-A779 VanDerWaalsContact C-N 3.33Å; L777-A779 PolarHBondContact O-N 2.77Å; A779-I782 PolarHBondContact O-N 3.44Å; A779-H783 PolarHBondContact O-CD2 3.39Å; A779-H783 VanDerWaalsContact O-CD2 3.24Å; A779-H783 PolarHBondContact O-N 3.07Å; A779-A834 VanDerWaalsContact CB-C 3.5Å; A779-A834 HydrophobicContact CB-CB 3.85Å; A779-A834 WeakPolarHBondContact CB-O 3.18Å; A779-M835 HydrophobicContact CB-CG 4.15Å; A779-A838 HydrophobicContact CB-CB 4.28Å; A779-A838 WeakPolarHBondContact O-CB 3.24Å |
| 780 | T | 97.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 176.4 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | C703 W707 L731 G776 L777 A778 I782 H783 E784 | C703-T780 HydrophobicContact CB-CG2 4.41Å; W707-T780 HydrophobicContact CB-CG2 3.92Å; W707-T780 WeakPolarHBondContact CB-OG1 3.3Å; L731-T780 HydrophobicContact CD1-CG2 4.09Å; L731-T780 HydrophobicContact CD2-CG2 3.9Å; G776-T780 PolarHBondContact O-N 2.75Å; G776-T780 PolarHBondContact O-OG1 2.88Å; L777-T780 VanDerWaalsContact O-CB 3.31Å; L777-T780 WeakPolarHBondContact O-CB 3.32Å; L777-T780 PolarHBondContact O-N 2.84Å; L777-T780 VanDerWaalsContact O-N 3.13Å; A778-T780 VanDerWaalsContact C-N 3.3Å; A778-T780 PolarHBondContact O-N 3Å; T780-I782 VanDerWaalsContact C-N 3.33Å; T780-I782 PolarHBondContact O-N 3.41Å; T780-H783 PolarHBondContact O-N 3.17Å; T780-E784 PolarHBondContact O-N 3.42Å |
| 781 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 175.1 | -72.7 | -179.1 | 179.4 | 0 | 0 | 111.1 | L731 F735 L777 A778 E784 G785 M786 E789 | L731-M781 HydrophobicContact CD2-CG 4.39Å; F735-M781 HydrophobicContact CB-CE 3.75Å; F735-M781 HydrophobicContact CD2-CE 4.29Å; F735-M781 HydrophobicContact CD2-SD 4.46Å; F735-M781 HydrophobicContact CG-CE 4.48Å; L777-M781 HydrophobicContact CD1-CE 3.9Å; L777-M781 HydrophobicContact CD2-CE 4.21Å; L777-M781 HydrophobicContact CG-CE 3.97Å; L777-M781 WeakPolarHBondContact O-CG 3.21Å; L777-M781 PolarHBondContact O-N 3.45Å; A778-M781 PolarHBondContact O-N 3.39Å; M781-E784 CarbonylContact O-C 3.3Å; M781-E784 PolarHBondContact O-N 2.83Å; M781-E784 VanDerWaalsContact O-N 3.14Å; M781-G785 PolarHBondContact O-N 2.58Å; M781-M786 HydrophobicContact CB-CB 3.95Å; M781-M786 WeakPolarHBondContact O-CA 3.35Å; M781-M786 WeakPolarHBondContact O-CB 3.11Å; M781-M786 PolarHBondContact O-N 3.2Å; M781-E789 HydrophobicContact SD-CB 3.75Å |
| 782 | I | 98 | Very high | 97.8 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 178 | -66.5 | 163.5 | 0 | 0 | 0 | 111.2 | A778 A779 T780 E784 G785 L787 M835 A838 L839 | A778-I782 WeakPolarHBondContact O-CD1 3.45Å; A778-I782 VanDerWaalsContact O-CG1 3.26Å; A778-I782 WeakPolarHBondContact O-CG1 3.26Å; A778-I782 PolarHBondContact O-N 3.28Å; A779-I782 PolarHBondContact O-N 3.44Å; T780-I782 VanDerWaalsContact C-N 3.33Å; T780-I782 PolarHBondContact O-N 3.41Å; I782-E784 PolarHBondContact O-N 3.12Å; I782-E784 VanDerWaalsContact O-N 3.12Å; I782-G785 PolarHBondContact O-N 3.19Å; I782-L787 HydrophobicContact CD1-CD1 4.47Å; I782-L787 HydrophobicContact CG1-CD1 4.07Å; I782-M835 HydrophobicContact CD1-CB 4.24Å; I782-M835 HydrophobicContact CD1-CE 4.07Å; I782-M835 HydrophobicContact CD1-CG 4.49Å; I782-A838 HydrophobicContact CB-CB 3.91Å; I782-A838 HydrophobicContact CG2-CB 3.68Å; I782-L839 HydrophobicContact CD1-CD2 4.34Å; I782-L839 HydrophobicContact CD1-CG 4.31Å; I782-L839 HydrophobicContact CG2-CD2 3.98Å; I782-L839 HydrophobicContact CG2-CG 4.22Å |
| 783 | H | 95 | Very high | 97.8 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 3% | 0.032 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.7 | -24.4 | 176.1 | -81.8 | -60.4 | 0 | 0 | 0 | 114.2 | R710 A779 T780 A838 | R710-H783 HydrophobicContact CB-CB 3.94Å; R710-H783 HydrophobicContact CG-CB 4.24Å; R710-H783 PolarHBondContact NH1-O 3.02Å; A779-H783 PolarHBondContact O-CD2 3.39Å; A779-H783 VanDerWaalsContact O-CD2 3.24Å; A779-H783 PolarHBondContact O-N 3.07Å; T780-H783 PolarHBondContact O-N 3.17Å; H783-A838 VanDerWaalsContact CE1-CA 3.46Å; H783-A838 WeakPolarHBondContact CE1-CA 3.4Å; H783-A838 WeakPolarHBondContact NE2-CB 3.32Å |
| 784 | E | 94.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 12.5 | 176.7 | -65.1 | -52.7 | 143.4 | 0 | 0 | 114 | H706 R710 I727 R728 L731 T780 M781 I782 M786 | H706-E784 IonicContact CD2-OE1 3.01Å; H706-E784 IonicContact CE1-OE1 2.8Å; H706-E784 PolarHBondContact CE1-OE1 3.38Å; H706-E784 IonicContact NE2-OE1 2.78Å; H706-E784 PolarHBondContact NE2-OE1 3.07Å; R710-E784 IonicContact CZ-OE1 2.84Å; R710-E784 IonicContact NH1-OE1 3.19Å; R710-E784 PolarHBondContact NH1-OE1 2.87Å; R710-E784 IonicContact NH1-OE2 3.19Å; I727-E784 HydrophobicContact CG2-CG 4.1Å; R728-E784 HydrophobicContact CG-CB 4.29Å; R728-E784 PolarHBondContact NE-O 3.18Å; L731-E784 HydrophobicContact CD1-CB 4.1Å; L731-E784 HydrophobicContact CD1-CG 3.94Å; T780-E784 PolarHBondContact O-N 3.42Å; M781-E784 CarbonylContact O-C 3.3Å; M781-E784 PolarHBondContact O-N 2.83Å; M781-E784 VanDerWaalsContact O-N 3.14Å; I782-E784 PolarHBondContact O-N 3.12Å; I782-E784 VanDerWaalsContact O-N 3.12Å; E784-M786 VanDerWaalsContact C-N 3.34Å |
| 785 | G | 94.8 | Very high | 97.7 | Very high | 58 Ų | 58 | 21 Ų | 21 | 60% | 0.598 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 20.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M781 I782 | M781-G785 PolarHBondContact O-N 2.58Å; I782-G785 PolarHBondContact O-N 3.19Å |
| 786 | M | 97.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 4% | 0.044 | 12% | 0.115 | C | C | . | . | trans | -100 | 57 | 175.7 | -60.9 | 175.7 | 63.9 | 0 | 0 | 109.8 | L731 K732 M781 E784 E788 E789 G790 | L731-M786 HydrophobicContact CB-CE 4.3Å; L731-M786 HydrophobicContact CB-SD 3.91Å; L731-M786 HydrophobicContact CD1-SD 4.35Å; K732-M786 HydrophobicContact CB-CE 4.25Å; K732-M786 HydrophobicContact CD-CE 4.17Å; M781-M786 HydrophobicContact CB-CB 3.95Å; M781-M786 WeakPolarHBondContact O-CA 3.35Å; M781-M786 WeakPolarHBondContact O-CB 3.11Å; M781-M786 PolarHBondContact O-N 3.2Å; E784-M786 VanDerWaalsContact C-N 3.34Å; M786-E788 PolarHBondContact O-N 3.05Å; M786-E789 VanDerWaalsContact C-OE2 3.31Å; M786-E789 WeakPolarHBondContact CA-OE2 3.21Å; M786-E789 HydrophobicContact CB-CB 4.24Å; M786-E789 WeakPolarHBondContact CB-OE2 3.44Å; M786-E789 HydrophobicContact CE-CB 4.21Å; M786-E789 HydrophobicContact CE-CG 3.97Å; M786-E789 PolarHBondContact O-N 3.2Å; M786-G790 PolarHBondContact O-N 2.63Å | ||
| 787 | L | 97.3 | Very high | 97.5 | Very high | 75 Ų | 75 | 21.1 Ų | 21.1 | 39% | 0.393 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.4 | -43 | -172.4 | 175.3 | 61.8 | 0 | 0 | 0 | 112.2 | I782 M791 L839 | I782-L787 HydrophobicContact CD1-CD1 4.47Å; I782-L787 HydrophobicContact CG1-CD1 4.07Å; L787-M791 HydrophobicContact CD1-CE 3.9Å; L787-M791 HydrophobicContact CD1-CG 3.87Å; L787-M791 HydrophobicContact CG-CG 4.44Å; L787-M791 WeakPolarHBondContact O-CB 3.06Å; L787-M791 VanDerWaalsContact O-CG 3.27Å; L787-M791 WeakPolarHBondContact O-CG 3.22Å; L787-M791 PolarHBondContact O-N 3.47Å; L787-L839 HydrophobicContact CD1-CD2 3.76Å |
| 788 | E | 97.2 | Very high | 97.4 | Very high | 139 Ų | 139 | 21.1 Ų | 21.1 | 65% | 0.65 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -67.3 | -43.6 | -178 | -64 | -166.4 | 152.2 | 0 | 0 | 111.2 | M786 M791 R792 | M786-E788 PolarHBondContact O-N 3.05Å; E788-M791 PolarHBondContact O-N 2.84Å; E788-R792 VanDerWaalsContact O-CB 3.24Å; E788-R792 WeakPolarHBondContact O-CB 3.39Å; E788-R792 PolarHBondContact O-N 3.34Å |
| 789 | E | 98.6 | Very high | 97.2 | Very high | 45 Ų | 45 | 22.7 Ų | 22.7 | 21% | 0.21 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 176.5 | -62.6 | 93.9 | 147.7 | 0 | 0 | 111.6 | F735 M781 M786 R792 T793 | F735-E789 HydrophobicContact CD1-CB 4.21Å; F735-E789 HydrophobicContact CD1-CG 3.64Å; F735-E789 HydrophobicContact CD2-CB 3.6Å; F735-E789 HydrophobicContact CD2-CG 3.99Å; F735-E789 HydrophobicContact CE1-CB 4.33Å; F735-E789 HydrophobicContact CE1-CG 3.7Å; F735-E789 HydrophobicContact CE2-CB 3.75Å; F735-E789 HydrophobicContact CE2-CG 4.06Å; F735-E789 WeakPolarHBondContact CE2-O 3.45Å; F735-E789 HydrophobicContact CG-CB 3.84Å; F735-E789 HydrophobicContact CG-CG 3.78Å; F735-E789 HydrophobicContact CZ-CB 4.11Å; F735-E789 HydrophobicContact CZ-CG 3.91Å; M781-E789 HydrophobicContact SD-CB 3.75Å; M786-E789 VanDerWaalsContact C-OE2 3.31Å; M786-E789 WeakPolarHBondContact CA-OE2 3.21Å; M786-E789 HydrophobicContact CB-CB 4.24Å; M786-E789 WeakPolarHBondContact CB-OE2 3.44Å; M786-E789 HydrophobicContact CE-CB 4.21Å; M786-E789 HydrophobicContact CE-CG 3.97Å; M786-E789 PolarHBondContact O-N 3.2Å; E789-R792 PolarHBondContact O-N 2.89Å; E789-T793 VanDerWaalsContact O-CB 3.31Å; E789-T793 WeakPolarHBondContact O-CB 3.26Å; E789-T793 PolarHBondContact O-N 2.9Å; E789-T793 PolarHBondContact O-OG1 3.42Å |
| 790 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A778 M786 T793 A794 | A778-G790 VanDerWaalsContact CB-O 3.27Å; A778-G790 WeakPolarHBondContact CB-O 3.37Å; M786-G790 PolarHBondContact O-N 2.63Å; G790-T793 PolarHBondContact O-N 3.37Å; G790-A794 PolarHBondContact O-N 2.98Å; G790-A794 VanDerWaalsContact O-N 3.13Å |
| 791 | M | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 22.6 Ų | 22.6 | 4% | 0.044 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 177.9 | -73.7 | -68.1 | -179.4 | 0 | 0 | 112.1 | M1 L417 P418 W420 L787 E788 T793 A794 E795 M835 L839 | M1-M791 HydrophobicContact CE-CG 4.21Å; L417-M791 HydrophobicContact CD2-CE 4.18Å; P418-M791 HydrophobicContact CG-SD 4.47Å; W420-M791 HydrophobicContact CH2-SD 4.27Å; W420-M791 HydrophobicContact CZ2-CB 4.47Å; W420-M791 WeakPolarHBondContact CZ2-O 3.34Å; W420-M791 HydrophobicContact CZ2-SD 3.9Å; L787-M791 HydrophobicContact CD1-CE 3.9Å; L787-M791 HydrophobicContact CD1-CG 3.87Å; L787-M791 HydrophobicContact CG-CG 4.44Å; L787-M791 WeakPolarHBondContact O-CB 3.06Å; L787-M791 VanDerWaalsContact O-CG 3.27Å; L787-M791 WeakPolarHBondContact O-CG 3.22Å; L787-M791 PolarHBondContact O-N 3.47Å; E788-M791 PolarHBondContact O-N 2.84Å; M791-T793 VanDerWaalsContact C-N 3.34Å; M791-T793 PolarHBondContact O-N 2.92Å; M791-A794 PolarHBondContact O-N 2.83Å; M791-E795 VanDerWaalsContact O-CB 3.28Å; M791-E795 WeakPolarHBondContact O-CB 3.39Å; M791-E795 PolarHBondContact O-N 2.69Å; M791-M835 HydrophobicContact SD-CE 4.14Å; M791-L839 HydrophobicContact CE-CD1 3.84Å; M791-L839 HydrophobicContact CE-CD2 3.95Å; M791-L839 HydrophobicContact CE-CG 4.46Å |
| 792 | R | 97.9 | Very high | 96.8 | Very high | 54 Ų | 54 | 22.6 Ų | 22.6 | 20% | 0.204 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.9 | 178 | 58.4 | 179.6 | -174.7 | 0.3 | 111.9 | F735 M740 E744 H746 E788 E789 E795 G796 | F735-R792 HydrophobicContact CE2-CB 4.12Å; F735-R792 HydrophobicContact CE2-CG 4.12Å; F735-R792 HydrophobicContact CZ-CB 4.37Å; F735-R792 HydrophobicContact CZ-CG 4.2Å; M740-R792 HydrophobicContact SD-CG 4.35Å; E744-R792 PolarHBondContact O-NH2 3.37Å; H746-R792 PolarHBondContact CE1-NH2 3.12Å; H746-R792 PolarHBondContact ND1-NH2 2.65Å; E788-R792 VanDerWaalsContact O-CB 3.24Å; E788-R792 WeakPolarHBondContact O-CB 3.39Å; E788-R792 PolarHBondContact O-N 3.34Å; E789-R792 PolarHBondContact O-N 2.89Å; R792-E795 PolarHBondContact O-N 3.39Å; R792-G796 PolarHBondContact O-N 3.39Å |
| 793 | T | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | V739 G748 A749 V774 L777 E789 G790 M791 | V739-T793 HydrophobicContact CG2-CG2 3.77Å; G748-T793 WeakPolarHBondContact CA-O 3.46Å; A749-T793 HydrophobicContact CB-CG2 4.3Å; V774-T793 HydrophobicContact CG1-CG2 3.84Å; L777-T793 HydrophobicContact CD2-CG2 4.17Å; E789-T793 VanDerWaalsContact O-CB 3.31Å; E789-T793 WeakPolarHBondContact O-CB 3.26Å; E789-T793 PolarHBondContact O-N 2.9Å; E789-T793 PolarHBondContact O-OG1 3.42Å; G790-T793 PolarHBondContact O-N 3.37Å; M791-T793 VanDerWaalsContact C-N 3.34Å; M791-T793 PolarHBondContact O-N 2.92Å |
| 794 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.9 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W420 Y775 A778 G790 M791 G796 C797 Y798 M835 | W420-A794 HydrophobicContact CH2-CB 3.6Å; W420-A794 HydrophobicContact CZ3-CB 4.09Å; Y775-A794 HydrophobicContact CD1-CB 3.89Å; Y775-A794 HydrophobicContact CE1-CB 3.99Å; A778-A794 HydrophobicContact CB-CB 4.02Å; G790-A794 PolarHBondContact O-N 2.98Å; G790-A794 VanDerWaalsContact O-N 3.13Å; M791-A794 PolarHBondContact O-N 2.83Å; A794-G796 PolarHBondContact O-N 2.89Å; A794-C797 WeakPolarHBondContact O-CB 3.35Å; A794-C797 PolarHBondContact O-N 2.9Å; A794-Y798 PolarHBondContact O-N 3.01Å; A794-M835 HydrophobicContact CB-CE 3.66Å; A794-M835 HydrophobicContact CB-SD 3.74Å |
| 795 | E | 97.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 14% | 0.136 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 179.9 | -176.6 | 174.9 | -164 | 0 | 0 | 111.9 | W420 M791 R792 C797 Y798 R799 | W420-E795 HydrophobicContact CD2-CB 4.05Å; W420-E795 HydrophobicContact CD2-CG 4.02Å; W420-E795 HydrophobicContact CG-CG 4.09Å; W420-E795 HydrophobicContact CH2-CB 4.25Å; W420-E795 HydrophobicContact CZ2-CB 3.67Å; W420-E795 HydrophobicContact CZ2-CG 4.42Å; M791-E795 VanDerWaalsContact O-CB 3.28Å; M791-E795 WeakPolarHBondContact O-CB 3.39Å; M791-E795 PolarHBondContact O-N 2.69Å; R792-E795 PolarHBondContact O-N 3.39Å; E795-C797 PolarHBondContact O-N 2.75Å; E795-Y798 PolarHBondContact O-N 2.79Å; E795-R799 HydrophobicContact CG-CG 4.17Å; E795-R799 WeakPolarHBondContact O-CG 3.47Å; E795-R799 PolarHBondContact O-N 3.26Å; E795-R799 IonicContact OE1-CZ 2.67Å; E795-R799 VanDerWaalsContact OE1-CZ 3.22Å; E795-R799 IonicContact OE1-NE 2.73Å; E795-R799 PolarHBondContact OE1-NE 2.87Å; E795-R799 IonicContact OE1-NH2 3.42Å; E795-R799 PolarHBondContact OE1-NH2 3.08Å |
| 796 | G | 96.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H746 R792 A794 T800 | H746-G796 CarbonylContact C-O 3.56Å; H746-G796 CarbonylContact O-C 3.57Å; R792-G796 PolarHBondContact O-N 3.39Å; A794-G796 PolarHBondContact O-N 2.89Å; G796-T800 WeakPolarHBondContact O-CB 3.45Å; G796-T800 PolarHBondContact O-N 3.19Å; G796-T800 PolarHBondContact O-OG1 2.88Å |
| 797 | C | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.7 | -53.5 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 112 | V774 A794 E795 R799 T800 V801 | V774-C797 HydrophobicContact CG1-CB 3.84Å; A794-C797 WeakPolarHBondContact O-CB 3.35Å; A794-C797 PolarHBondContact O-N 2.9Å; E795-C797 PolarHBondContact O-N 2.75Å; C797-R799 PolarHBondContact O-N 3.04Å; C797-T800 WeakPolarHBondContact O-CB 3.37Å; C797-T800 PolarHBondContact O-N 2.78Å; C797-V801 VanDerWaalsContact O-CG2 3.31Å; C797-V801 WeakPolarHBondContact O-CG2 3.3Å; C797-V801 PolarHBondContact O-N 3.15Å |
| 798 | Y | 97.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.6 | -50.6 | 179.9 | 168.1 | -95.6 | 0 | 0 | 0 | 111.9 | W420 S423 A424 A794 E795 T800 V801 W802 E803 | W420-Y798 HydrophobicContact CB-CD1 3.7Å; W420-Y798 HydrophobicContact CB-CE1 3.67Å; W420-Y798 HydrophobicContact CE3-CD1 4.1Å; W420-Y798 AromaticContact CE3-CG 3.99Å; W420-Y798 HydrophobicContact CE3-CG 3.99Å; W420-Y798 HydrophobicContact CG-CD1 4.43Å; S423-Y798 WeakPolarHBondContact CB-OH 3.27Å; S423-Y798 PolarHBondContact OG-OH 3.19Å; A424-Y798 HydrophobicContact CB-CD2 3.52Å; A424-Y798 HydrophobicContact CB-CE2 3.98Å; A424-Y798 HydrophobicContact CB-CG 4.24Å; A794-Y798 PolarHBondContact O-N 3.01Å; E795-Y798 PolarHBondContact O-N 2.79Å; Y798-T800 VanDerWaalsContact C-N 3.3Å; Y798-T800 PolarHBondContact O-N 3.46Å; Y798-V801 PolarHBondContact O-N 2.99Å; Y798-W802 HydrophobicContact CD2-CB 4.05Å; Y798-W802 AromaticContact CD2-CD1 3.47Å; Y798-W802 VanDerWaalsContact CD2-CD1 3.47Å; Y798-W802 HydrophobicContact CD2-CD2 4.39Å; Y798-W802 AromaticContact CD2-CG 3.7Å; Y798-W802 HydrophobicContact CD2-CG 3.7Å; Y798-W802 HydrophobicContact CE2-CB 3.72Å; Y798-W802 AromaticContact CE2-CD1 3.74Å; Y798-W802 AromaticContact CE2-CD2 3.89Å; Y798-W802 HydrophobicContact CE2-CD2 3.89Å; Y798-W802 HydrophobicContact CE2-CE3 4.5Å; Y798-W802 AromaticContact CE2-CG 3.48Å; Y798-W802 HydrophobicContact CE2-CG 3.48Å; Y798-W802 VanDerWaalsContact CE2-CG 3.48Å; Y798-W802 WeakPolarHBondContact O-CB 3.33Å; Y798-W802 PolarHBondContact O-N 3.5Å; Y798-E803 HydrophobicContact CE1-CG 4.14Å |
| 799 | R | 95.1 | Very high | 96.2 | Very high | 32 Ų | 32 | 14.4 Ų | 14.4 | 12% | 0.121 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -62.6 | -39.9 | -177.8 | -65.3 | -169.9 | 177.9 | -73.8 | 2.9 | 112 | W5 E795 C797 E803 R804 | W5-R799 PolarHBondContact O-NH2 3.48Å; E795-R799 HydrophobicContact CG-CG 4.17Å; E795-R799 WeakPolarHBondContact O-CG 3.47Å; E795-R799 PolarHBondContact O-N 3.26Å; E795-R799 IonicContact OE1-CZ 2.67Å; E795-R799 VanDerWaalsContact OE1-CZ 3.22Å; E795-R799 IonicContact OE1-NE 2.73Å; E795-R799 PolarHBondContact OE1-NE 2.87Å; E795-R799 IonicContact OE1-NH2 3.42Å; E795-R799 PolarHBondContact OE1-NH2 3.08Å; C797-R799 PolarHBondContact O-N 3.04Å; R799-E803 WeakPolarHBondContact CG-OE2 3.44Å; R799-E803 IonicContact CZ-OE2 3.55Å; R799-E803 IonicContact NH1-OE1 2.78Å; R799-E803 PolarHBondContact NH1-OE1 2.76Å; R799-E803 IonicContact NH1-OE2 2.77Å; R799-E803 PolarHBondContact NH1-OE2 2.92Å; R799-E803 WeakPolarHBondContact O-CA 3.27Å; R799-E803 WeakPolarHBondContact O-CB 3.34Å; R799-E803 PolarHBondContact O-N 2.81Å; R799-E803 VanDerWaalsContact O-N 3.13Å; R799-R804 PolarHBondContact O-N 2.84Å |
| 800 | T | 94.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -58 | -57.5 | 174 | -68.7 | 0 | 0 | 0 | 0 | 110 | H746 M747 G796 C797 Y798 R804 L805 Y815 | H746-T800 PolarHBondContact O-OG1 2.75Å; M747-T800 HydrophobicContact CE-CG2 4.45Å; G796-T800 WeakPolarHBondContact O-CB 3.45Å; G796-T800 PolarHBondContact O-N 3.19Å; G796-T800 PolarHBondContact O-OG1 2.88Å; C797-T800 WeakPolarHBondContact O-CB 3.37Å; C797-T800 PolarHBondContact O-N 2.78Å; Y798-T800 VanDerWaalsContact C-N 3.3Å; Y798-T800 PolarHBondContact O-N 3.46Å; T800-R804 PolarHBondContact O-N 3.47Å; T800-R804 PolarHBondContact OG1-NH2 3.17Å; T800-L805 HydrophobicContact CG2-CD1 3.59Å; T800-L805 HydrophobicContact CG2-CG 3.94Å; T800-L805 VanDerWaalsContact O-CB 3.32Å; T800-L805 WeakPolarHBondContact O-CB 3.36Å; T800-L805 WeakPolarHBondContact O-CG 3.33Å; T800-L805 PolarHBondContact O-N 2.99Å; T800-Y815 HydrophobicContact CG2-CD2 4.42Å; T800-Y815 HydrophobicContact CG2-CE1 4.39Å; T800-Y815 HydrophobicContact CG2-CE2 3.89Å |
| 801 | V | 95.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -68.5 | -51.4 | -171.4 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | I771 C797 Y798 G806 M807 T811 Y815 | I771-V801 HydrophobicContact CD1-CG1 4.34Å; I771-V801 HydrophobicContact CD1-CG2 3.46Å; I771-V801 VanDerWaalsContact CD1-CG2 3.46Å; I771-V801 HydrophobicContact CG1-CG2 4.31Å; C797-V801 VanDerWaalsContact O-CG2 3.31Å; C797-V801 WeakPolarHBondContact O-CG2 3.3Å; C797-V801 PolarHBondContact O-N 3.15Å; Y798-V801 PolarHBondContact O-N 2.99Å; V801-G806 PolarHBondContact O-N 3.22Å; V801-M807 HydrophobicContact CG1-CB 3.75Å; V801-M807 WeakPolarHBondContact O-CB 3.17Å; V801-M807 PolarHBondContact O-N 3.46Å; V801-T811 HydrophobicContact CG1-CG2 4.03Å; V801-Y815 HydrophobicContact CG2-CD1 4.18Å; V801-Y815 HydrophobicContact CG2-CE1 3.58Å |
| 802 | W | 95.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -86.1 | -38.7 | -169.8 | -75 | 75.7 | 0 | 0 | 0 | 113.2 | W31 N427 E428 Y798 A808 F809 | W31-W802 HydrophobicContact CB-CE3 4.26Å; W31-W802 HydrophobicContact CB-CZ3 4.43Å; W31-W802 HydrophobicContact CD2-CE3 4.07Å; W31-W802 HydrophobicContact CD2-CZ3 4.33Å; W31-W802 HydrophobicContact CE3-CZ3 4.38Å; W31-W802 AromaticContact CG-CE3 3.93Å; W31-W802 HydrophobicContact CG-CE3 3.93Å; W31-W802 HydrophobicContact CG-CZ3 4.37Å; W31-W802 PolarHBondContact NE1-O 2.71Å; N427-W802 HydrophobicContact CB-CH2 3.37Å; N427-W802 HydrophobicContact CB-CZ2 4.01Å; N427-W802 HydrophobicContact CB-CZ3 3.76Å; E428-W802 HydrophobicContact CG-CZ2 4.44Å; E428-W802 PolarHBondContact OE1-NE1 3.2Å; Y798-W802 HydrophobicContact CD2-CB 4.05Å; Y798-W802 AromaticContact CD2-CD1 3.47Å; Y798-W802 VanDerWaalsContact CD2-CD1 3.47Å; Y798-W802 HydrophobicContact CD2-CD2 4.39Å; Y798-W802 AromaticContact CD2-CG 3.7Å; Y798-W802 HydrophobicContact CD2-CG 3.7Å; Y798-W802 HydrophobicContact CE2-CB 3.72Å; Y798-W802 AromaticContact CE2-CD1 3.74Å; Y798-W802 AromaticContact CE2-CD2 3.89Å; Y798-W802 HydrophobicContact CE2-CD2 3.89Å; Y798-W802 HydrophobicContact CE2-CE3 4.5Å; Y798-W802 AromaticContact CE2-CG 3.48Å; Y798-W802 HydrophobicContact CE2-CG 3.48Å; Y798-W802 VanDerWaalsContact CE2-CG 3.48Å; Y798-W802 WeakPolarHBondContact O-CB 3.33Å; Y798-W802 PolarHBondContact O-N 3.5Å; W802-A808 HydrophobicContact CD2-CB 4.06Å; W802-A808 HydrophobicContact CE3-CB 3.38Å; W802-A808 HydrophobicContact CH2-CB 4.18Å; W802-A808 HydrophobicContact CZ3-CB 3.46Å; W802-A808 VanDerWaalsContact CZ3-CB 3.46Å; W802-F809 HydrophobicContact CH2-CD1 4.18Å; W802-F809 HydrophobicContact CH2-CD2 4.32Å; W802-F809 HydrophobicContact CH2-CE1 4.01Å; W802-F809 HydrophobicContact CH2-CE2 4.18Å; W802-F809 HydrophobicContact CH2-CG 4.32Å; W802-F809 HydrophobicContact CH2-CZ 4.01Å; W802-F809 HydrophobicContact CZ3-CD2 4.21Å; W802-F809 HydrophobicContact CZ3-CE1 4.41Å; W802-F809 AromaticContact CZ3-CE2 3.83Å; W802-F809 HydrophobicContact CZ3-CE2 3.83Å; W802-F809 AromaticContact CZ3-CZ 3.93Å; W802-F809 HydrophobicContact CZ3-CZ 3.93Å |
| 803 | E | 92.8 | Very high | 96.1 | Very high | 20 Ų | 20 | 9.5 Ų | 9.5 | 9% | 0.093 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -100.8 | -37.5 | -169.8 | -51.8 | -178.9 | 151.6 | 0 | 0 | 112.3 | S9 L13 F39 Y798 R799 | S9-E803 VanDerWaalsContact CB-OE2 3.32Å; S9-E803 WeakPolarHBondContact CB-OE2 3.38Å; S9-E803 PolarHBondContact OG-OE1 2.98Å; S9-E803 PolarHBondContact OG-OE2 3.18Å; L13-E803 HydrophobicContact CD1-CB 4.2Å; L13-E803 HydrophobicContact CD1-CG 4.08Å; F39-E803 WeakPolarHBondContact CE1-O 3.36Å; Y798-E803 HydrophobicContact CE1-CG 4.14Å; R799-E803 WeakPolarHBondContact CG-OE2 3.44Å; R799-E803 IonicContact CZ-OE2 3.55Å; R799-E803 IonicContact NH1-OE1 2.78Å; R799-E803 PolarHBondContact NH1-OE1 2.76Å; R799-E803 IonicContact NH1-OE2 2.77Å; R799-E803 PolarHBondContact NH1-OE2 2.92Å; R799-E803 WeakPolarHBondContact O-CA 3.27Å; R799-E803 WeakPolarHBondContact O-CB 3.34Å; R799-E803 PolarHBondContact O-N 2.81Å; R799-E803 VanDerWaalsContact O-N 3.13Å |
| 804 | R | 92.3 | Very high | 96 | Very high | 99 Ų | 99 | 9.5 Ų | 9.5 | 37% | 0.374 | 4% | 0.041 | S | C | . | . | I | π-helix | trans | -94.1 | -46.9 | -177.8 | -169.8 | 170.7 | 67.5 | -151.4 | -7.5 | 113.4 | E41 R799 T800 | E41-R804 HydrophobicContact CB-CG 4.5Å; E41-R804 VanDerWaalsContact OE2-CD 3.3Å; E41-R804 WeakPolarHBondContact OE2-CD 3.3Å; E41-R804 WeakPolarHBondContact OE2-CG 3.48Å; E41-R804 IonicContact OE2-NE 2.77Å; E41-R804 PolarHBondContact OE2-NE 3.19Å; R799-R804 PolarHBondContact O-N 2.84Å; T800-R804 PolarHBondContact O-N 3.47Å; T800-R804 PolarHBondContact OG1-NH2 3.17Å |
| 805 | L | 92.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -88.7 | -14.7 | -173.8 | -61.7 | -175.3 | 0 | 0 | 0 | 114.4 | E41 R43 Q93 T800 M807 | E41-L805 HydrophobicContact CB-CD2 4.01Å; E41-L805 HydrophobicContact CG-CD2 3.69Å; E41-L805 WeakPolarHBondContact OE1-CD2 3.11Å; E41-L805 WeakPolarHBondContact OE2-CD2 3.24Å; R43-L805 HydrophobicContact CG-CD2 4.09Å; Q93-L805 PolarHBondContact NE2-O 2.92Å; T800-L805 HydrophobicContact CG2-CD1 3.59Å; T800-L805 HydrophobicContact CG2-CG 3.94Å; T800-L805 VanDerWaalsContact O-CB 3.32Å; T800-L805 WeakPolarHBondContact O-CB 3.36Å; T800-L805 WeakPolarHBondContact O-CG 3.33Å; T800-L805 PolarHBondContact O-N 2.99Å; L805-M807 VanDerWaalsContact C-N 3.33Å; L805-M807 HydrophobicContact CB-CE 4.21Å; L805-M807 HydrophobicContact CB-CG 3.99Å; L805-M807 HydrophobicContact CB-SD 3.97Å; L805-M807 HydrophobicContact CD1-CE 4.01Å; L805-M807 HydrophobicContact CD1-SD 3.83Å; L805-M807 PolarHBondContact O-N 3.29Å |
| 806 | G | 94.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 8.5 Ų | 8.5 | 3% | 0.031 | 4% | 0.037 | C | C | . | . | trans | 64.3 | 36 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | F39 Q93 V801 Q810 | F39-G806 VanDerWaalsContact CD1-CA 3.47Å; Q93-G806 WeakPolarHBondContact CG-O 3.25Å; V801-G806 PolarHBondContact O-N 3.22Å; G806-Q810 PolarHBondContact O-NE2 3.14Å | ||
| 807 | M | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -96.5 | 16.9 | 179.2 | -67.3 | 173.9 | 175.5 | 0 | 0 | 113 | R43 L91 V801 L805 F809 Q810 T811 P812 Y821 | R43-M807 HydrophobicContact CB-CE 4.38Å; L91-M807 HydrophobicContact CD1-CE 4.16Å; L91-M807 HydrophobicContact CD1-CG 3.69Å; L91-M807 HydrophobicContact CD2-CE 3.67Å; L91-M807 HydrophobicContact CD2-CG 4.45Å; V801-M807 HydrophobicContact CG1-CB 3.75Å; V801-M807 WeakPolarHBondContact O-CB 3.17Å; V801-M807 PolarHBondContact O-N 3.46Å; L805-M807 VanDerWaalsContact C-N 3.33Å; L805-M807 HydrophobicContact CB-CE 4.21Å; L805-M807 HydrophobicContact CB-CG 3.99Å; L805-M807 HydrophobicContact CB-SD 3.97Å; L805-M807 HydrophobicContact CD1-CE 4.01Å; L805-M807 HydrophobicContact CD1-SD 3.83Å; L805-M807 PolarHBondContact O-N 3.29Å; M807-F809 PolarHBondContact O-N 3.46Å; M807-Q810 HydrophobicContact CB-CG 4.16Å; M807-Q810 CarbonylContact O-C 3.5Å; M807-Q810 VanDerWaalsContact O-C 3.28Å; M807-Q810 VanDerWaalsContact O-CG 3.25Å; M807-Q810 WeakPolarHBondContact O-CG 3.48Å; M807-Q810 PolarHBondContact O-N 3.1Å; M807-T811 PolarHBondContact O-N 2.88Å; M807-T811 VanDerWaalsContact O-N 3.16Å; M807-P812 HydrophobicContact SD-CG 3.8Å; M807-Y821 HydrophobicContact CE-CD1 3.91Å; M807-Y821 HydrophobicContact CE-CG 3.97Å | ||
| 808 | A | 96.4 | Very high | 94 | Very high | 3 Ų | 3 | 21 Ų | 21 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 133.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W31 W802 Q810 | W31-A808 HydrophobicContact CD2-CB 4.21Å; W31-A808 HydrophobicContact CE3-CB 4.06Å; W31-A808 HydrophobicContact CH2-CB 3.48Å; W31-A808 VanDerWaalsContact CH2-CB 3.48Å; W31-A808 HydrophobicContact CZ2-CB 3.63Å; W31-A808 HydrophobicContact CZ3-CB 3.71Å; W802-A808 HydrophobicContact CD2-CB 4.06Å; W802-A808 HydrophobicContact CE3-CB 3.38Å; W802-A808 HydrophobicContact CH2-CB 4.18Å; W802-A808 HydrophobicContact CZ3-CB 3.46Å; W802-A808 VanDerWaalsContact CZ3-CB 3.46Å; A808-Q810 PolarHBondContact O-N 2.74Å; A808-Q810 VanDerWaalsContact O-N 3.16Å |
| 809 | F | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 22 | -177.7 | -51.6 | -76.3 | 0 | 0 | 0 | 114.7 | W31 G96 A97 R117 Y173 A175 N427 Y430 W802 M807 | W31-F809 AromaticContact CE3-CE2 3.86Å; W31-F809 HydrophobicContact CE3-CE2 3.86Å; W31-F809 HydrophobicContact CZ3-CD2 4.33Å; W31-F809 AromaticContact CZ3-CE2 3.91Å; W31-F809 HydrophobicContact CZ3-CE2 3.91Å; G96-F809 VanDerWaalsContact C-CG 3.41Å; G96-F809 VanDerWaalsContact CA-CD2 3.4Å; G96-F809 WeakPolarHBondContact O-CB 3.37Å; G96-F809 VanDerWaalsContact O-CG 3.26Å; G96-F809 WeakPolarHBondContact O-CG 3.43Å; A97-F809 HydrophobicContact CB-CE1 3.94Å; A97-F809 HydrophobicContact CB-CZ 3.96Å; R117-F809 PolarHBondContact NH1-O 2.87Å; R117-F809 PolarHBondContact NH2-O 2.8Å; Y173-F809 HydrophobicContact CE1-CE2 4.48Å; A175-F809 HydrophobicContact CB-CE2 3.98Å; A175-F809 HydrophobicContact CB-CZ 3.57Å; N427-F809 HydrophobicContact CB-CE1 4.18Å; N427-F809 HydrophobicContact CB-CZ 4.23Å; Y430-F809 HydrophobicContact CD1-CD1 4.08Å; Y430-F809 HydrophobicContact CD2-CB 4.2Å; Y430-F809 HydrophobicContact CD2-CD1 4.16Å; Y430-F809 HydrophobicContact CE2-CB 4.32Å; Y430-F809 WeakPolarHBondContact CE2-O 3.5Å; Y430-F809 HydrophobicContact CG-CB 4.44Å; Y430-F809 AromaticContact CG-CD1 3.68Å; Y430-F809 HydrophobicContact CG-CD1 3.68Å; Y430-F809 PolarHBondContact OH-O 3.03Å; W802-F809 HydrophobicContact CH2-CD1 4.18Å; W802-F809 HydrophobicContact CH2-CD2 4.32Å; W802-F809 HydrophobicContact CH2-CE1 4.01Å; W802-F809 HydrophobicContact CH2-CE2 4.18Å; W802-F809 HydrophobicContact CH2-CG 4.32Å; W802-F809 HydrophobicContact CH2-CZ 4.01Å; W802-F809 HydrophobicContact CZ3-CD2 4.21Å; W802-F809 HydrophobicContact CZ3-CE1 4.41Å; W802-F809 AromaticContact CZ3-CE2 3.83Å; W802-F809 HydrophobicContact CZ3-CE2 3.83Å; W802-F809 AromaticContact CZ3-CZ 3.93Å; W802-F809 HydrophobicContact CZ3-CZ 3.93Å; M807-F809 PolarHBondContact O-N 3.46Å |
| 810 | Q | 97.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | trans | -151.8 | 30.9 | 171.4 | 63.7 | -171.3 | -42.6 | 0 | 0 | 110.8 | L91 R92 Y95 Y430 G806 M807 A808 L824 A825 | L91-Q810 HydrophobicContact CD1-CG 4.46Å; R92-Q810 PolarHBondContact O-NE2 3.21Å; R92-Q810 PolarHBondContact O-OE1 3.44Å; Y95-Q810 HydrophobicContact CD2-CB 4.03Å; Y95-Q810 VanDerWaalsContact CD2-CD 3.44Å; Y95-Q810 HydrophobicContact CD2-CG 4.16Å; Y430-Q810 WeakPolarHBondContact OH-CA 3.43Å; Y430-Q810 PolarHBondContact OH-N 3.23Å; G806-Q810 PolarHBondContact O-NE2 3.14Å; M807-Q810 HydrophobicContact CB-CG 4.16Å; M807-Q810 CarbonylContact O-C 3.5Å; M807-Q810 VanDerWaalsContact O-C 3.28Å; M807-Q810 VanDerWaalsContact O-CG 3.25Å; M807-Q810 WeakPolarHBondContact O-CG 3.48Å; M807-Q810 PolarHBondContact O-N 3.1Å; A808-Q810 PolarHBondContact O-N 2.74Å; A808-Q810 VanDerWaalsContact O-N 3.16Å; Q810-L824 HydrophobicContact CG-CD2 4.45Å; Q810-A825 HydrophobicContact CB-CB 4.36Å; Q810-A825 PolarHBondContact O-N 2.96Å | ||
| 811 | T | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -48.6 | 122 | -177.6 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | E428 Y430 I771 V801 M807 A825 Y826 P829 | E428-T811 VanDerWaalsContact CD-OG1 3.31Å; E428-T811 WeakPolarHBondContact OE1-CG2 3.42Å; E428-T811 PolarHBondContact OE1-OG1 3.18Å; E428-T811 WeakPolarHBondContact OE2-CB 3.49Å; E428-T811 PolarHBondContact OE2-OG1 3.43Å; Y430-T811 PolarHBondContact OH-N 2.76Å; I771-T811 HydrophobicContact CB-CG2 4.48Å; I771-T811 HydrophobicContact CD1-CG2 3.53Å; I771-T811 HydrophobicContact CG2-CG2 3.9Å; V801-T811 HydrophobicContact CG1-CG2 4.03Å; M807-T811 PolarHBondContact O-N 2.88Å; M807-T811 VanDerWaalsContact O-N 3.16Å; T811-A825 CarbonylContact O-C 3.53Å; T811-A825 VanDerWaalsContact O-CA 3.28Å; T811-A825 WeakPolarHBondContact O-CA 3.39Å; T811-A825 PolarHBondContact O-N 3.33Å; T811-A825 VanDerWaalsContact O-N 3.15Å; T811-Y826 PolarHBondContact O-N 2.65Å; T811-P829 HydrophobicContact CG2-CB 3.73Å; T811-P829 HydrophobicContact CG2-CG 3.48Å; T811-P829 VanDerWaalsContact CG2-CG 3.48Å | ||
| 812 | P | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -78.3 | 174.7 | -174.1 | 31.2 | -35.7 | 0 | 0 | 0 | 112.5 | I771 M807 R822 S823 L824 | I771-P812 HydrophobicContact CD1-CG 3.73Å; I771-P812 WeakPolarHBondContact CD1-O 3.15Å; M807-P812 HydrophobicContact SD-CG 3.8Å; P812-R822 WeakPolarHBondContact CB-O 3.24Å; P812-S823 CarbonylContact C-O 3.55Å; P812-S823 WeakPolarHBondContact CA-O 3.12Å; P812-S823 WeakPolarHBondContact CB-O 3.14Å; P812-L824 HydrophobicContact CB-CD2 4.39Å | ||
| 813 | E | 97.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -63.4 | -53.1 | 161.1 | 171.2 | 63.1 | 155.6 | 0 | 0 | 109.6 | W770 I771 R822 S823 Y826 R828 | W770-E813 WeakPolarHBondContact CA-O 3.15Å; I771-E813 PolarHBondContact N-O 3.25Å; E813-R822 PolarHBondContact N-O 2.88Å; E813-S823 PolarHBondContact N-O 2.83Å; E813-Y826 HydrophobicContact CB-CD1 3.55Å; E813-Y826 HydrophobicContact CB-CD2 3.97Å; E813-Y826 HydrophobicContact CB-CE1 3.63Å; E813-Y826 HydrophobicContact CB-CE2 4.08Å; E813-Y826 HydrophobicContact CB-CG 3.7Å; E813-Y826 HydrophobicContact CG-CD1 4.13Å; E813-Y826 HydrophobicContact CG-CE1 3.77Å; E813-Y826 WeakPolarHBondContact OE2-CD1 3.09Å; E813-Y826 WeakPolarHBondContact OE2-CE1 3.33Å; E813-R828 VanDerWaalsContact CD-NE 3.31Å; E813-R828 IonicContact OE1-CZ 3.17Å; E813-R828 IonicContact OE1-NE 3.13Å; E813-R828 PolarHBondContact OE1-NE 3.05Å; E813-R828 IonicContact OE1-NH2 3.86Å; E813-R828 PolarHBondContact OE1-NH2 3.02Å; E813-R828 WeakPolarHBondContact OE2-CB 3.49Å; E813-R828 IonicContact OE2-NE 2.68Å; E813-R828 PolarHBondContact OE2-NE 3.17Å |
| 814 | A | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | E768 V769 W770 Y821 R822 | E768-A814 HydrophobicContact CB-CB 4.01Å; E768-A814 HydrophobicContact CG-CB 3.89Å; V769-A814 VanDerWaalsContact O-CA 3.22Å; V769-A814 WeakPolarHBondContact O-CA 3.39Å; W770-A814 VanDerWaalsContact CD1-CB 3.45Å; W770-A814 HydrophobicContact CG-CB 4.48Å; A814-Y821 CarbonylContact O-C 3.49Å; A814-Y821 WeakPolarHBondContact O-CA 3.49Å; A814-R822 HydrophobicContact CB-CB 4.4Å; A814-R822 PolarHBondContact N-O 2.84Å; A814-R822 PolarHBondContact O-N 2.84Å |
| 815 | Y | 95.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 155 | 162.9 | 59.5 | -94.7 | 0 | 0 | 0 | 110.5 | M747 V769 I771 T800 V801 I820 | M747-Y815 HydrophobicContact CB-CE2 4.26Å; M747-Y815 HydrophobicContact CE-CD2 3.75Å; M747-Y815 HydrophobicContact CE-CE2 3.62Å; M747-Y815 PolarHBondContact O-OH 3.35Å; V769-Y815 HydrophobicContact CB-CD2 4.23Å; V769-Y815 HydrophobicContact CB-CE1 4.4Å; V769-Y815 HydrophobicContact CB-CE2 3.8Å; V769-Y815 HydrophobicContact CG1-CE1 4.24Å; V769-Y815 HydrophobicContact CG1-CE2 4.14Å; V769-Y815 HydrophobicContact CG2-CD2 4.48Å; V769-Y815 HydrophobicContact CG2-CE2 3.94Å; V769-Y815 PolarHBondContact N-O 3.5Å; V769-Y815 PolarHBondContact O-N 2.63Å; I771-Y815 HydrophobicContact CD1-CD1 4.1Å; I771-Y815 HydrophobicContact CD1-CE1 3.94Å; I771-Y815 HydrophobicContact CG1-CD1 4.2Å; I771-Y815 HydrophobicContact CG1-CE1 3.81Å; T800-Y815 HydrophobicContact CG2-CD2 4.42Å; T800-Y815 HydrophobicContact CG2-CE1 4.39Å; T800-Y815 HydrophobicContact CG2-CE2 3.89Å; V801-Y815 HydrophobicContact CG2-CD1 4.18Å; V801-Y815 HydrophobicContact CG2-CE1 3.58Å; Y815-I820 WeakPolarHBondContact CA-O 3.2Å; Y815-I820 WeakPolarHBondContact CB-O 3.46Å |
| 816 | C | 91.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 5% | 0.047 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 173.8 | 175 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | R43 E768 R818 I820 | R43-C816 PolarHBondContact NH1-O 2.48Å; E768-C816 VanDerWaalsContact CG-SG 3.56Å; C816-R818 PolarHBondContact O-N 3.22Å; C816-I820 PolarHBondContact N-O 2.9Å |
| 817 | E | 85 | Confident | 93.6 | Very high | 102 Ų | 102 | 21.2 Ų | 21.2 | 48% | 0.477 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -60.2 | -37 | 165.1 | -170.1 | 174.4 | -146.2 | 0 | 0 | 110.9 | F742 S743 N819 | F742-E817 HydrophobicContact CE2-CB 4.03Å; F742-E817 HydrophobicContact CZ-CB 3.95Å; S743-E817 PolarHBondContact OG-OE1 2.85Å; E817-N819 PolarHBondContact O-N 2.96Å |
| 818 | R | 76.3 | Confident | 93.7 | Very high | 164 Ų | 164 | 21.3 Ų | 21.3 | 62% | 0.619 | 10% | 0.096 | S | C | * | . | S | Bend | trans | -80.4 | 63.2 | -172.5 | -60.3 | -178.5 | -178.8 | -179 | 4.7 | 114.9 | C816 I820 | C816-R818 PolarHBondContact O-N 3.22Å; R818-I820 WeakPolarHBondContact O-CB 3.44Å; R818-I820 WeakPolarHBondContact O-CD1 3.18Å; R818-I820 WeakPolarHBondContact O-CG1 3.17Å; R818-I820 PolarHBondContact O-N 3.46Å |
| 819 | N | 83.8 | Confident | 93.9 | Very high | 93 Ų | 93 | 21.1 Ų | 21.1 | 50% | 0.497 | 10% | 0.095 | S | C | . | . | S | Bend | trans | 43.8 | 24.2 | 169.1 | -68.9 | -39.9 | 0 | 0 | 0 | 117.1 | R43 K44 E817 | R43-N819 VanDerWaalsContact CA-O 3.25Å; R43-N819 WeakPolarHBondContact CA-O 3.43Å; R43-N819 WeakPolarHBondContact CB-O 3.26Å; K44-N819 PolarHBondContact N-O 2.89Å; E817-N819 PolarHBondContact O-N 2.96Å |
| 820 | I | 89.9 | Confident | 93.9 | Very high | 27 Ų | 27 | 21.2 Ų | 21.2 | 14% | 0.138 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147.9 | -175.8 | -70.2 | 159.5 | 0 | 0 | 0 | 108.6 | R43 K44 F46 D50 Y815 C816 R818 | R43-I820 PolarHBondContact NH1-O 2.96Å; K44-I820 VanDerWaalsContact O-CA 3.32Å; K44-I820 WeakPolarHBondContact O-CA 3.3Å; F46-I820 HydrophobicContact CB-CG2 3.71Å; F46-I820 HydrophobicContact CD2-CG2 3.92Å; F46-I820 HydrophobicContact CG-CG2 4.32Å; D50-I820 HydrophobicContact CB-CD1 4.1Å; Y815-I820 WeakPolarHBondContact CA-O 3.2Å; Y815-I820 WeakPolarHBondContact CB-O 3.46Å; C816-I820 PolarHBondContact N-O 2.9Å; R818-I820 WeakPolarHBondContact O-CB 3.44Å; R818-I820 WeakPolarHBondContact O-CD1 3.18Å; R818-I820 WeakPolarHBondContact O-CG1 3.17Å; R818-I820 PolarHBondContact O-N 3.46Å |
| 821 | Y | 92.8 | Very high | 94 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 164.3 | 169.4 | 70.1 | -94.1 | 0 | 0 | 0 | 110.6 | R43 K44 P45 F46 L89 L91 M807 A814 L824 | R43-Y821 HydrophobicContact CB-CD1 3.72Å; R43-Y821 HydrophobicContact CB-CE1 4.36Å; K44-Y821 WeakPolarHBondContact O-CD1 3.45Å; K44-Y821 PolarHBondContact O-N 3.11Å; K44-Y821 VanDerWaalsContact O-N 3.09Å; P45-Y821 CarbonylContact C-O 3.39Å; P45-Y821 WeakPolarHBondContact CA-O 3.43Å; P45-Y821 HydrophobicContact CB-CE1 4.43Å; P45-Y821 HydrophobicContact CB-CE2 3.95Å; P45-Y821 WeakPolarHBondContact CD-OH 3.43Å; P45-Y821 VanDerWaalsContact N-CE1 3.34Å; F46-Y821 PolarHBondContact N-O 2.8Å; L89-Y821 PolarHBondContact O-OH 3.21Å; L91-Y821 HydrophobicContact CB-CE1 3.62Å; L91-Y821 HydrophobicContact CD2-CE1 4.35Å; L91-Y821 PolarHBondContact N-OH 3.38Å; M807-Y821 HydrophobicContact CE-CD1 3.91Å; M807-Y821 HydrophobicContact CE-CG 3.97Å; A814-Y821 CarbonylContact O-C 3.49Å; A814-Y821 WeakPolarHBondContact O-CA 3.49Å; Y821-L824 HydrophobicContact CD2-CD1 4.49Å; Y821-L824 HydrophobicContact CD2-CD2 3.83Å; Y821-L824 HydrophobicContact CD2-CG 3.87Å; Y821-L824 HydrophobicContact CE2-CD1 3.65Å; Y821-L824 HydrophobicContact CE2-CD2 3.8Å; Y821-L824 HydrophobicContact CE2-CG 3.46Å; Y821-L824 VanDerWaalsContact CE2-CG 3.46Å |
| 822 | R | 93.3 | Very high | 94 | Very high | 29 Ų | 29 | 21 Ų | 21 | 11% | 0.109 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.2 | 175.4 | -175.2 | 171.6 | 62 | 76.2 | 0.6 | 111.2 | F46 Y480 E768 W770 P812 E813 A814 | F46-R822 HydrophobicContact CB-CB 4.46Å; Y480-R822 VanDerWaalsContact OH-CD 3.28Å; Y480-R822 WeakPolarHBondContact OH-CD 3.4Å; Y480-R822 WeakPolarHBondContact OH-CG 3.41Å; Y480-R822 PolarHBondContact OH-NH1 2.83Å; E768-R822 IonicContact OE1-CZ 3.28Å; E768-R822 IonicContact OE1-NE 3.41Å; E768-R822 PolarHBondContact OE1-NE 3.09Å; E768-R822 IonicContact OE1-NH2 3.44Å; E768-R822 IonicContact OE2-CZ 3.84Å; E768-R822 IonicContact OE2-NE 2.76Å; E768-R822 PolarHBondContact OE2-NE 3.23Å; E768-R822 IonicContact OE2-NH2 2.99Å; E768-R822 PolarHBondContact OE2-NH2 2.87Å; W770-R822 VanDerWaalsContact NE1-NH2 3.15Å; P812-R822 WeakPolarHBondContact CB-O 3.24Å; E813-R822 PolarHBondContact N-O 2.88Å; A814-R822 HydrophobicContact CB-CB 4.4Å; A814-R822 PolarHBondContact N-O 2.84Å; A814-R822 PolarHBondContact O-N 2.84Å |
| 823 | S | 92.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 57.7 | 85.6 | 174.8 | -152.7 | 0 | 0 | 0 | 0 | 114.4 | E479 Y480 P812 E813 Y826 | E479-S823 WeakPolarHBondContact OE2-CA 3.44Å; E479-S823 PolarHBondContact OE2-N 2.95Å; Y480-S823 VanDerWaalsContact CD2-OG 3.24Å; Y480-S823 WeakPolarHBondContact CD2-OG 3.21Å; Y480-S823 VanDerWaalsContact CE2-CB 3.48Å; Y480-S823 WeakPolarHBondContact CE2-OG 3.4Å; Y480-S823 VanDerWaalsContact CG-OG 3.29Å; Y480-S823 VanDerWaalsContact CZ-CB 3.5Å; P812-S823 CarbonylContact C-O 3.55Å; P812-S823 WeakPolarHBondContact CA-O 3.12Å; P812-S823 WeakPolarHBondContact CB-O 3.14Å; E813-S823 PolarHBondContact N-O 2.83Å; S823-Y826 WeakPolarHBondContact OG-CD2 3.44Å; S823-Y826 VanDerWaalsContact OG-CE2 3.23Å; S823-Y826 WeakPolarHBondContact OG-CE2 3.32Å |
| 824 | L | 95.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -68.1 | 150.6 | 176.5 | -67.9 | 168.3 | 0 | 0 | 0 | 112.5 | L89 L91 Q478 E479 Q810 P812 Y821 | L89-L824 HydrophobicContact CB-CD1 4.49Å; L91-L824 HydrophobicContact CB-CD1 4.39Å; L91-L824 HydrophobicContact CD1-CD2 3.99Å; Q478-L824 PolarHBondContact N-O 2.66Å; E479-L824 PolarHBondContact OE2-N 3.11Å; Q810-L824 HydrophobicContact CG-CD2 4.45Å; P812-L824 HydrophobicContact CB-CD2 4.39Å; Y821-L824 HydrophobicContact CD2-CD1 4.49Å; Y821-L824 HydrophobicContact CD2-CD2 3.83Å; Y821-L824 HydrophobicContact CD2-CG 3.87Å; Y821-L824 HydrophobicContact CE2-CD1 3.65Å; Y821-L824 HydrophobicContact CE2-CD2 3.8Å; Y821-L824 HydrophobicContact CE2-CG 3.46Å; Y821-L824 VanDerWaalsContact CE2-CG 3.46Å |
| 825 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 49.1 | 83.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y430 F431 G477 Q478 Q810 T811 | Y430-A825 WeakPolarHBondContact OH-CA 3.09Å; F431-A825 HydrophobicContact CE2-CB 4.23Å; F431-A825 WeakPolarHBondContact CE2-O 3.48Å; G477-A825 CarbonylContact C-O 3.41Å; G477-A825 WeakPolarHBondContact CA-O 3.48Å; Q478-A825 HydrophobicContact CB-CB 4.03Å; Q478-A825 HydrophobicContact CG-CB 3.61Å; Q478-A825 PolarHBondContact N-O 3Å; Q810-A825 HydrophobicContact CB-CB 4.36Å; Q810-A825 PolarHBondContact O-N 2.96Å; T811-A825 CarbonylContact O-C 3.53Å; T811-A825 VanDerWaalsContact O-CA 3.28Å; T811-A825 WeakPolarHBondContact O-CA 3.39Å; T811-A825 PolarHBondContact O-N 3.33Å; T811-A825 VanDerWaalsContact O-N 3.15Å |
| 826 | Y | 98.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -121.3 | 155.1 | -167.1 | -152 | -107.5 | 0 | 0 | 0 | 111.9 | E476 Y480 V488 T811 E813 S823 R828 P829 | E476-Y826 HydrophobicContact CG-CE1 4.36Å; E476-Y826 HydrophobicContact CG-CE2 3.7Å; E476-Y826 WeakPolarHBondContact CG-OH 3.1Å; E476-Y826 CarbonylContact O-C 3.58Å; E476-Y826 WeakPolarHBondContact O-CA 3.5Å; E476-Y826 WeakPolarHBondContact O-CD2 3.25Å; E476-Y826 PolarHBondContact OE1-OH 3.23Å; Y480-Y826 AromaticContact CD2-CE2 3.43Å; Y480-Y826 HydrophobicContact CD2-CE2 3.43Å; Y480-Y826 VanDerWaalsContact CD2-CE2 3.43Å; Y480-Y826 AromaticContact CD2-CZ 3.98Å; Y480-Y826 AromaticContact CE2-CE2 4Å; Y480-Y826 HydrophobicContact CE2-CE2 4Å; Y480-Y826 HydrophobicContact CG-CE2 4.16Å; V488-Y826 HydrophobicContact CG1-CD1 4.38Å; V488-Y826 HydrophobicContact CG1-CE1 3.67Å; T811-Y826 PolarHBondContact O-N 2.65Å; E813-Y826 HydrophobicContact CB-CD1 3.55Å; E813-Y826 HydrophobicContact CB-CD2 3.97Å; E813-Y826 HydrophobicContact CB-CE1 3.63Å; E813-Y826 HydrophobicContact CB-CE2 4.08Å; E813-Y826 HydrophobicContact CB-CG 3.7Å; E813-Y826 HydrophobicContact CG-CD1 4.13Å; E813-Y826 HydrophobicContact CG-CE1 3.77Å; E813-Y826 WeakPolarHBondContact OE2-CD1 3.09Å; E813-Y826 WeakPolarHBondContact OE2-CE1 3.33Å; S823-Y826 WeakPolarHBondContact OG-CD2 3.44Å; S823-Y826 VanDerWaalsContact OG-CE2 3.23Å; S823-Y826 WeakPolarHBondContact OG-CE2 3.32Å; Y826-R828 HydrophobicContact CD1-CB 3.83Å; Y826-R828 HydrophobicContact CE1-CB 4.05Å; Y826-P829 WeakPolarHBondContact O-CD 3.23Å |
| 827 | M | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -79.4 | -34.6 | -174 | 81.6 | -173.4 | -30.1 | 0 | 0 | 113.7 | F431 Y474 E476 V488 A492 L830 | F431-M827 HydrophobicContact CD1-CB 3.85Å; F431-M827 HydrophobicContact CE1-CB 3.35Å; F431-M827 HydrophobicContact CZ-CB 4.18Å; Y474-M827 HydrophobicContact CD1-CE 4.5Å; Y474-M827 HydrophobicContact CD2-CB 4.38Å; Y474-M827 HydrophobicContact CD2-CE 3.53Å; Y474-M827 HydrophobicContact CE1-CE 4.09Å; Y474-M827 HydrophobicContact CE2-CB 3.96Å; Y474-M827 HydrophobicContact CE2-CE 3.06Å; Y474-M827 HydrophobicContact CG-CE 4.25Å; E476-M827 HydrophobicContact CB-SD 4.38Å; E476-M827 HydrophobicContact CG-SD 4.31Å; E476-M827 PolarHBondContact O-N 2.84Å; V488-M827 HydrophobicContact CB-CG 4.06Å; V488-M827 HydrophobicContact CB-SD 3.67Å; V488-M827 HydrophobicContact CG1-CG 3.3Å; V488-M827 HydrophobicContact CG1-SD 3.64Å; A492-M827 HydrophobicContact CB-CB 4.26Å; A492-M827 HydrophobicContact CB-CG 4.08Å; A492-M827 VanDerWaalsContact CB-O 3.25Å; A492-M827 WeakPolarHBondContact CB-O 3.49Å; M827-L830 VanDerWaalsContact O-CB 3.31Å; M827-L830 WeakPolarHBondContact O-CB 3.23Å; M827-L830 WeakPolarHBondContact O-CG 3.38Å; M827-L830 PolarHBondContact O-N 3.38Å; M827-L830 VanDerWaalsContact O-N 3.08Å |
| 828 | R | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -54.9 | -37.6 | -173.2 | -145.9 | -170.6 | -67.3 | -91.8 | 5.7 | 114.5 | V488 Y491 T624 G772 E813 Y826 L830 S831 | V488-R828 HydrophobicContact CG1-CB 3.69Å; V488-R828 HydrophobicContact CG1-CG 3.87Å; Y491-R828 VanDerWaalsContact CB-CG 3.49Å; Y491-R828 HydrophobicContact CD1-CG 4.45Å; Y491-R828 HydrophobicContact CD2-CG 3.87Å; Y491-R828 HydrophobicContact CG-CG 3.7Å; T624-R828 PolarHBondContact OG1-NH1 3.49Å; T624-R828 PolarHBondContact OG1-NH2 2.6Å; G772-R828 WeakPolarHBondContact CA-O 3.4Å; E813-R828 VanDerWaalsContact CD-NE 3.31Å; E813-R828 IonicContact OE1-CZ 3.17Å; E813-R828 IonicContact OE1-NE 3.13Å; E813-R828 PolarHBondContact OE1-NE 3.05Å; E813-R828 IonicContact OE1-NH2 3.86Å; E813-R828 PolarHBondContact OE1-NH2 3.02Å; E813-R828 WeakPolarHBondContact OE2-CB 3.49Å; E813-R828 IonicContact OE2-NE 2.68Å; E813-R828 PolarHBondContact OE2-NE 3.17Å; Y826-R828 HydrophobicContact CD1-CB 3.83Å; Y826-R828 HydrophobicContact CE1-CB 4.05Å; R828-L830 PolarHBondContact O-N 3.38Å; R828-L830 VanDerWaalsContact O-N 3.1Å; R828-S831 WeakPolarHBondContact O-CB 3.42Å; R828-S831 PolarHBondContact O-N 2.85Å; R828-S831 VanDerWaalsContact O-N 3.1Å; R828-S831 PolarHBondContact O-OG 3.03Å |
| 829 | P | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -55.8 | -19.2 | 175 | -28.1 | 34.9 | 0 | 0 | 0 | 116.2 | I771 Y775 T811 Y826 S831 V832 | I771-P829 HydrophobicContact CB-CG 4.1Å; I771-P829 HydrophobicContact CG2-CB 3.87Å; I771-P829 HydrophobicContact CG2-CG 3.84Å; Y775-P829 WeakPolarHBondContact CD2-O 3.47Å; Y775-P829 HydrophobicContact CE2-CB 4.4Å; T811-P829 HydrophobicContact CG2-CB 3.73Å; T811-P829 HydrophobicContact CG2-CG 3.48Å; T811-P829 VanDerWaalsContact CG2-CG 3.48Å; Y826-P829 WeakPolarHBondContact O-CD 3.23Å; P829-S831 PolarHBondContact O-N 3.31Å; P829-V832 PolarHBondContact O-N 2.96Å; P829-V832 VanDerWaalsContact O-N 3.09Å |
| 830 | L | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | G | 310 helix | trans | -58.1 | -17.1 | 172.4 | -71.9 | 170.8 | 0 | 0 | 0 | 113 | E428 L429 F431 V432 Y474 A492 A495 M827 R828 V832 W833 | E428-L830 VanDerWaalsContact O-CD2 3.26Å; E428-L830 WeakPolarHBondContact O-CD2 3.39Å; L429-L830 HydrophobicContact CD2-CD2 4.22Å; F431-L830 HydrophobicContact CB-CD1 4.42Å; F431-L830 HydrophobicContact CB-CD2 4.41Å; F431-L830 HydrophobicContact CB-CG 4.44Å; F431-L830 HydrophobicContact CD1-CD1 4.12Å; V432-L830 HydrophobicContact CG2-CD1 4.12Å; V432-L830 HydrophobicContact CG2-CD2 4Å; Y474-L830 HydrophobicContact CE2-CD1 4.16Å; A492-L830 HydrophobicContact CB-CB 4Å; A492-L830 HydrophobicContact CB-CD1 4.16Å; A495-L830 HydrophobicContact CB-CB 4.09Å; A495-L830 HydrophobicContact CB-CD2 4.12Å; M827-L830 VanDerWaalsContact O-CB 3.31Å; M827-L830 WeakPolarHBondContact O-CB 3.23Å; M827-L830 WeakPolarHBondContact O-CG 3.38Å; M827-L830 PolarHBondContact O-N 3.38Å; M827-L830 VanDerWaalsContact O-N 3.08Å; R828-L830 PolarHBondContact O-N 3.38Å; R828-L830 VanDerWaalsContact O-N 3.1Å; L830-V832 PolarHBondContact O-N 3.33Å; L830-W833 WeakPolarHBondContact O-CB 3.38Å; L830-W833 PolarHBondContact O-N 2.96Å; L830-W833 VanDerWaalsContact O-N 3.09Å |
| 831 | S | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -57.4 | -10.2 | 169.7 | 52.7 | 0 | 0 | 0 | 0 | 115.4 | Y491 G772 Y775 R828 P829 W833 A834 | Y491-S831 VanDerWaalsContact O-CA 3.25Å; Y491-S831 WeakPolarHBondContact O-CA 3.2Å; Y491-S831 VanDerWaalsContact O-CB 3.23Å; Y491-S831 WeakPolarHBondContact O-CB 3.46Å; G772-S831 WeakPolarHBondContact CA-OG 3.32Å; G772-S831 PolarHBondContact O-OG 3.4Å; Y775-S831 WeakPolarHBondContact CB-OG 3.15Å; R828-S831 WeakPolarHBondContact O-CB 3.42Å; R828-S831 PolarHBondContact O-N 2.85Å; R828-S831 VanDerWaalsContact O-N 3.1Å; R828-S831 PolarHBondContact O-OG 3.03Å; P829-S831 PolarHBondContact O-N 3.31Å; S831-W833 PolarHBondContact O-N 2.99Å; S831-W833 VanDerWaalsContact O-N 3.09Å; S831-A834 WeakPolarHBondContact O-CA 3.46Å; S831-A834 WeakPolarHBondContact O-CB 3.17Å; S831-A834 PolarHBondContact O-N 3.04Å |
| 832 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -52.7 | -28.2 | 165.9 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | Y421 A424 L425 E428 Y775 P829 L830 A834 M835 | Y421-V832 HydrophobicContact CE2-CG2 4.05Å; A424-V832 HydrophobicContact CB-CG2 4.37Å; L425-V832 HydrophobicContact CB-CG2 4.38Å; L425-V832 HydrophobicContact CD1-CG1 4.24Å; L425-V832 HydrophobicContact CD1-CG2 4.15Å; E428-V832 HydrophobicContact CB-CG1 3.96Å; E428-V832 HydrophobicContact CG-CG1 4.24Å; Y775-V832 HydrophobicContact CD1-CB 4.31Å; Y775-V832 HydrophobicContact CD1-CG2 4.34Å; Y775-V832 HydrophobicContact CD2-CB 3.83Å; Y775-V832 HydrophobicContact CE1-CB 4.48Å; Y775-V832 HydrophobicContact CE1-CG2 4.31Å; Y775-V832 HydrophobicContact CE2-CB 3.99Å; Y775-V832 HydrophobicContact CG-CB 4Å; P829-V832 PolarHBondContact O-N 2.96Å; P829-V832 VanDerWaalsContact O-N 3.09Å; L830-V832 PolarHBondContact O-N 3.33Å; V832-A834 VanDerWaalsContact C-N 3.3Å; V832-A834 PolarHBondContact O-N 3.36Å; V832-M835 HydrophobicContact CG2-SD 4.4Å; V832-M835 VanDerWaalsContact O-CB 3.31Å; V832-M835 WeakPolarHBondContact O-CB 3.17Å; V832-M835 PolarHBondContact O-N 2.85Å; V832-M835 VanDerWaalsContact O-N 3.14Å |
| 833 | W | 98.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 11.6 Ų | 11.6 | 3% | 0.027 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.6 | -23.5 | 173.2 | -80.3 | 82.2 | 0 | 0 | 0 | 114.2 | W407 I411 L425 L429 F494 A495 M498 L499 L830 S831 M835 Q836 L837 | W407-W833 HydrophobicContact CH2-CZ2 4.42Å; W407-W833 AromaticContact CZ3-CH2 3.81Å; W407-W833 HydrophobicContact CZ3-CH2 3.81Å; W407-W833 HydrophobicContact CZ3-CZ2 4.03Å; I411-W833 HydrophobicContact CD1-CH2 4.44Å; L425-W833 HydrophobicContact CD1-CD2 3.78Å; L425-W833 HydrophobicContact CD1-CE3 4.35Å; L425-W833 HydrophobicContact CD1-CG 3.96Å; L425-W833 HydrophobicContact CD1-CH2 4.49Å; L425-W833 HydrophobicContact CD1-CZ2 3.98Å; L425-W833 HydrophobicContact CD2-CH2 4.36Å; L425-W833 HydrophobicContact CD2-CZ2 4.27Å; L425-W833 HydrophobicContact CG-CH2 4.34Å; L425-W833 HydrophobicContact CG-CZ2 3.79Å; L425-W833 PolarHBondContact O-NE1 2.85Å; L429-W833 HydrophobicContact CD1-CZ2 3.67Å; L429-W833 HydrophobicContact CD2-CZ2 4.48Å; L429-W833 VanDerWaalsContact CD2-NE1 3.28Å; L429-W833 HydrophobicContact CG-CZ2 4.28Å; F494-W833 HydrophobicContact CB-CB 4.03Å; A495-W833 HydrophobicContact CB-CB 4.18Å; A495-W833 HydrophobicContact CB-CG 3.92Å; M498-W833 HydrophobicContact CB-CE3 4.34Å; M498-W833 HydrophobicContact CE-CE3 3.87Å; M498-W833 HydrophobicContact CE-CZ3 4.21Å; M498-W833 HydrophobicContact SD-CB 4.33Å; M498-W833 HydrophobicContact SD-CE3 3.99Å; M498-W833 VanDerWaalsContact SD-O 3.41Å; L499-W833 HydrophobicContact CD1-CD2 4.11Å; L499-W833 HydrophobicContact CD1-CE3 4.23Å; L499-W833 HydrophobicContact CD1-CH2 3.88Å; L499-W833 HydrophobicContact CD1-CZ2 3.71Å; L499-W833 HydrophobicContact CD1-CZ3 4.12Å; L499-W833 HydrophobicContact CD2-CE3 4.32Å; L499-W833 HydrophobicContact CD2-CH2 3.72Å; L499-W833 HydrophobicContact CD2-CZ2 4.41Å; L499-W833 HydrophobicContact CD2-CZ3 3.65Å; L499-W833 HydrophobicContact CG-CE3 4.24Å; L499-W833 HydrophobicContact CG-CH2 4.21Å; L499-W833 HydrophobicContact CG-CZ3 4.05Å; L830-W833 WeakPolarHBondContact O-CB 3.38Å; L830-W833 PolarHBondContact O-N 2.96Å; L830-W833 VanDerWaalsContact O-N 3.09Å; S831-W833 PolarHBondContact O-N 2.99Å; S831-W833 VanDerWaalsContact O-N 3.09Å; W833-M835 VanDerWaalsContact C-N 3.26Å; W833-M835 PolarHBondContact O-N 3.1Å; W833-Q836 HydrophobicContact CE3-CB 4.35Å; W833-Q836 HydrophobicContact CZ3-CG 4.29Å; W833-Q836 PolarHBondContact O-N 2.76Å; W833-L837 PolarHBondContact O-N 2.93Å |
| 834 | A | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.4 | -32.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F494 W707 A779 S831 V832 Q836 L837 A838 | F494-A834 HydrophobicContact CB-CB 4.3Å; F494-A834 HydrophobicContact CD1-CB 3.7Å; F494-A834 HydrophobicContact CD2-CB 3.85Å; F494-A834 HydrophobicContact CE1-CB 3.89Å; F494-A834 HydrophobicContact CE2-CB 4.04Å; F494-A834 HydrophobicContact CG-CB 3.67Å; F494-A834 HydrophobicContact CZ-CB 4.06Å; W707-A834 HydrophobicContact CZ2-CB 3.6Å; A779-A834 VanDerWaalsContact CB-C 3.5Å; A779-A834 HydrophobicContact CB-CB 3.85Å; A779-A834 WeakPolarHBondContact CB-O 3.18Å; S831-A834 WeakPolarHBondContact O-CA 3.46Å; S831-A834 WeakPolarHBondContact O-CB 3.17Å; S831-A834 PolarHBondContact O-N 3.04Å; V832-A834 VanDerWaalsContact C-N 3.3Å; V832-A834 PolarHBondContact O-N 3.36Å; A834-Q836 VanDerWaalsContact C-N 3.33Å; A834-L837 PolarHBondContact O-N 3.25Å; A834-A838 PolarHBondContact O-N 3.41Å |
| 835 | M | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 173 | -60.6 | 174.8 | 60 | 0 | 0 | 110.8 | W420 Y421 Y775 A778 A779 I782 M791 A794 V832 W833 A838 L839 | W420-M835 HydrophobicContact CH2-CE 4.42Å; Y421-M835 HydrophobicContact CD2-CE 4.01Å; Y421-M835 HydrophobicContact CE2-CB 4.05Å; Y421-M835 HydrophobicContact CE2-CE 3.81Å; Y421-M835 HydrophobicContact CE2-SD 4.12Å; Y775-M835 HydrophobicContact CD1-SD 3.72Å; Y775-M835 HydrophobicContact CG-SD 4.41Å; Y775-M835 WeakPolarHBondContact O-CG 3.48Å; A778-M835 HydrophobicContact CB-CE 4Å; A778-M835 HydrophobicContact CB-CG 4.09Å; A778-M835 HydrophobicContact CB-SD 3.85Å; A779-M835 HydrophobicContact CB-CG 4.15Å; I782-M835 HydrophobicContact CD1-CB 4.24Å; I782-M835 HydrophobicContact CD1-CE 4.07Å; I782-M835 HydrophobicContact CD1-CG 4.49Å; M791-M835 HydrophobicContact SD-CE 4.14Å; A794-M835 HydrophobicContact CB-CE 3.66Å; A794-M835 HydrophobicContact CB-SD 3.74Å; V832-M835 HydrophobicContact CG2-SD 4.4Å; V832-M835 VanDerWaalsContact O-CB 3.31Å; V832-M835 WeakPolarHBondContact O-CB 3.17Å; V832-M835 PolarHBondContact O-N 2.85Å; V832-M835 VanDerWaalsContact O-N 3.14Å; W833-M835 VanDerWaalsContact C-N 3.26Å; W833-M835 PolarHBondContact O-N 3.1Å; M835-A838 WeakPolarHBondContact O-CB 3.21Å; M835-A838 PolarHBondContact O-N 2.75Å; M835-L839 VanDerWaalsContact O-CG 3.28Å; M835-L839 WeakPolarHBondContact O-CG 3.4Å; M835-L839 PolarHBondContact O-N 2.74Å |
| 836 | Q | 98.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 177.6 | -172.4 | 60.8 | 53.2 | 0 | 0 | 110.5 | I411 Y421 L425 M498 W833 A834 A838 L839 D840 | I411-Q836 HydrophobicContact CD1-CG 4.37Å; Y421-Q836 VanDerWaalsContact OH-CA 3.31Å; Y421-Q836 WeakPolarHBondContact OH-CA 3.33Å; Y421-Q836 WeakPolarHBondContact OH-CB 3.42Å; Y421-Q836 PolarHBondContact OH-N 3.01Å; Y421-Q836 VanDerWaalsContact OH-N 3.16Å; Y421-Q836 PolarHBondContact OH-OE1 3.48Å; L425-Q836 HydrophobicContact CD1-CB 3.99Å; L425-Q836 HydrophobicContact CD2-CB 4.36Å; L425-Q836 HydrophobicContact CD2-CG 4.29Å; M498-Q836 HydrophobicContact CE-CB 4.3Å; M498-Q836 HydrophobicContact CE-CG 4.24Å; W833-Q836 HydrophobicContact CE3-CB 4.35Å; W833-Q836 HydrophobicContact CZ3-CG 4.29Å; W833-Q836 PolarHBondContact O-N 2.76Å; A834-Q836 VanDerWaalsContact C-N 3.33Å; Q836-A838 VanDerWaalsContact C-N 3.28Å; Q836-A838 PolarHBondContact O-N 3.18Å; Q836-L839 PolarHBondContact O-N 3.33Å; Q836-D840 PolarHBondContact NE2-OD1 3.31Å; Q836-D840 WeakPolarHBondContact O-CB 3.38Å; Q836-D840 VanDerWaalsContact O-CG 3.22Å; Q836-D840 PolarHBondContact O-N 2.89Å |
| 837 | L | 98.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57 | -41.9 | 173.9 | -176 | 66.1 | 0 | 0 | 0 | 112.2 | F494 M498 L583 A711 W833 A834 T841 | F494-L837 HydrophobicContact CD1-CD2 3.84Å; F494-L837 HydrophobicContact CE1-CD2 3.71Å; M498-L837 HydrophobicContact CE-CB 4.11Å; M498-L837 HydrophobicContact CE-CD1 4.47Å; M498-L837 HydrophobicContact SD-CB 3.87Å; M498-L837 HydrophobicContact SD-CD1 4.5Å; L583-L837 HydrophobicContact CD2-CD1 4.06Å; A711-L837 HydrophobicContact CB-CD2 4.08Å; W833-L837 PolarHBondContact O-N 2.93Å; A834-L837 PolarHBondContact O-N 3.25Å; L837-T841 WeakPolarHBondContact O-CB 3.5Å; L837-T841 PolarHBondContact O-N 3.02Å; L837-T841 PolarHBondContact O-OG1 3.26Å |
| 838 | A | 97.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A779 I782 H783 A834 M835 Q836 S842 | A779-A838 HydrophobicContact CB-CB 4.28Å; A779-A838 WeakPolarHBondContact O-CB 3.24Å; I782-A838 HydrophobicContact CB-CB 3.91Å; I782-A838 HydrophobicContact CG2-CB 3.68Å; H783-A838 VanDerWaalsContact CE1-CA 3.46Å; H783-A838 WeakPolarHBondContact CE1-CA 3.4Å; H783-A838 WeakPolarHBondContact NE2-CB 3.32Å; A834-A838 PolarHBondContact O-N 3.41Å; M835-A838 WeakPolarHBondContact O-CB 3.21Å; M835-A838 PolarHBondContact O-N 2.75Å; Q836-A838 VanDerWaalsContact C-N 3.28Å; Q836-A838 PolarHBondContact O-N 3.18Å; A838-S842 WeakPolarHBondContact O-CB 3.28Å; A838-S842 PolarHBondContact O-N 2.96Å; A838-S842 PolarHBondContact O-OG 3.14Å |
| 839 | L | 97.2 | Very high | 88.6 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -50 | 175.4 | -69.9 | 164 | 0 | 0 | 0 | 111.1 | L417 Y421 I782 L787 M791 M835 Q836 T841 S842 Q843 | L417-L839 HydrophobicContact CD2-CD1 3.86Å; Y421-L839 HydrophobicContact CE1-CD1 3.85Å; I782-L839 HydrophobicContact CD1-CD2 4.34Å; I782-L839 HydrophobicContact CD1-CG 4.31Å; I782-L839 HydrophobicContact CG2-CD2 3.98Å; I782-L839 HydrophobicContact CG2-CG 4.22Å; L787-L839 HydrophobicContact CD1-CD2 3.76Å; M791-L839 HydrophobicContact CE-CD1 3.84Å; M791-L839 HydrophobicContact CE-CD2 3.95Å; M791-L839 HydrophobicContact CE-CG 4.46Å; M835-L839 VanDerWaalsContact O-CG 3.28Å; M835-L839 WeakPolarHBondContact O-CG 3.4Å; M835-L839 PolarHBondContact O-N 2.74Å; Q836-L839 PolarHBondContact O-N 3.33Å; L839-T841 VanDerWaalsContact C-N 3.25Å; L839-T841 PolarHBondContact O-N 2.91Å; L839-S842 PolarHBondContact O-N 3.26Å; L839-S842 VanDerWaalsContact O-N 3.17Å; L839-Q843 WeakPolarHBondContact O-CG 3.29Å; L839-Q843 PolarHBondContact O-N 2.91Å |
| 840 | D | 94.8 | Very high | 86.7 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 179.3 | -66.6 | -15.9 | 0 | 0 | 0 | 111.6 | Q836 R844 | Q836-D840 PolarHBondContact NE2-OD1 3.31Å; Q836-D840 WeakPolarHBondContact O-CB 3.38Å; Q836-D840 VanDerWaalsContact O-CG 3.22Å; Q836-D840 PolarHBondContact O-N 2.89Å; D840-R844 VanDerWaalsContact O-CG 3.32Å; D840-R844 WeakPolarHBondContact O-CG 3.47Å; D840-R844 PolarHBondContact O-N 3.18Å; D840-R844 PolarHBondContact O-NE 2.91Å |
| 841 | T | 89.6 | Confident | 84.7 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L837 L839 Q843 R844 D845 | L837-T841 WeakPolarHBondContact O-CB 3.5Å; L837-T841 PolarHBondContact O-N 3.02Å; L837-T841 PolarHBondContact O-OG1 3.26Å; L839-T841 VanDerWaalsContact C-N 3.25Å; L839-T841 PolarHBondContact O-N 2.91Å; T841-Q843 VanDerWaalsContact C-N 3.32Å; T841-Q843 PolarHBondContact O-N 3.14Å; T841-R844 WeakPolarHBondContact O-CB 3.27Å; T841-R844 PolarHBondContact O-N 3.13Å; T841-R844 PolarHBondContact OG1-NH2 3.09Å; T841-D845 PolarHBondContact O-N 2.73Å |
| 842 | S | 85 | Confident | 82.7 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 179 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | A838 L839 N846 | A838-S842 WeakPolarHBondContact O-CB 3.28Å; A838-S842 PolarHBondContact O-N 2.96Å; A838-S842 PolarHBondContact O-OG 3.14Å; L839-S842 PolarHBondContact O-N 3.26Å; L839-S842 VanDerWaalsContact O-N 3.17Å; S842-N846 VanDerWaalsContact O-CG 3.32Å; S842-N846 PolarHBondContact O-N 3.27Å; S842-N846 VanDerWaalsContact O-N 3.09Å; S842-N846 PolarHBondContact O-ND2 3.14Å |
| 843 | Q | 81.4 | Confident | 80.1 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 175.2 | -71.2 | -179.3 | 3.3 | 0 | 0 | 112.1 | L839 T841 T847 | L839-Q843 WeakPolarHBondContact O-CG 3.29Å; L839-Q843 PolarHBondContact O-N 2.91Å; T841-Q843 VanDerWaalsContact C-N 3.32Å; T841-Q843 PolarHBondContact O-N 3.14Å; Q843-T847 WeakPolarHBondContact O-CB 3.46Å; Q843-T847 PolarHBondContact O-N 3.42Å; Q843-T847 PolarHBondContact O-OG1 3.23Å |
| 844 | R | 79.7 | Confident | 77.7 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.1 | -74.8 | -179.8 | -69.1 | 165.9 | 1.9 | 111.5 | D840 T841 N846 T847 V848 | D840-R844 VanDerWaalsContact O-CG 3.32Å; D840-R844 WeakPolarHBondContact O-CG 3.47Å; D840-R844 PolarHBondContact O-N 3.18Å; D840-R844 PolarHBondContact O-NE 2.91Å; T841-R844 WeakPolarHBondContact O-CB 3.27Å; T841-R844 PolarHBondContact O-N 3.13Å; T841-R844 PolarHBondContact OG1-NH2 3.09Å; R844-N846 VanDerWaalsContact C-N 3.35Å; R844-N846 PolarHBondContact O-N 3.32Å; R844-T847 WeakPolarHBondContact O-CB 3.31Å; R844-T847 PolarHBondContact O-N 3.13Å; R844-T847 VanDerWaalsContact O-N 3.13Å; R844-V848 WeakPolarHBondContact O-CG2 3.48Å; R844-V848 PolarHBondContact O-N 2.89Å |
| 845 | D | 76.1 | Confident | 75 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 40% | 0.401 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 178.9 | -69.9 | -7.3 | 0 | 0 | 0 | 111.6 | T841 T847 V848 L849 | T841-D845 PolarHBondContact O-N 2.73Å; D845-T847 VanDerWaalsContact C-N 3.33Å; D845-T847 PolarHBondContact O-N 3.34Å; D845-V848 PolarHBondContact O-N 3.31Å; D845-L849 WeakPolarHBondContact O-CG 3.47Å; D845-L849 PolarHBondContact O-N 3.35Å |
| 846 | N | 70.9 | Confident | 72.4 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 57% | 0.572 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.5 | -37.5 | 176.8 | -73.5 | -22.1 | 0 | 0 | 0 | 112.6 | S842 R844 A850 | S842-N846 VanDerWaalsContact O-CG 3.32Å; S842-N846 PolarHBondContact O-N 3.27Å; S842-N846 VanDerWaalsContact O-N 3.09Å; S842-N846 PolarHBondContact O-ND2 3.14Å; R844-N846 VanDerWaalsContact C-N 3.35Å; R844-N846 PolarHBondContact O-N 3.32Å; N846-A850 WeakPolarHBondContact O-CB 3.43Å; N846-A850 PolarHBondContact O-N 3.05Å |
| 847 | T | 69.6 | Low | 69.7 | Low | 74 Ų | 74 | 78.4 Ų | 78.4 | 45% | 0.454 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 177.5 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | Q843 R844 D845 K851 | Q843-T847 WeakPolarHBondContact O-CB 3.46Å; Q843-T847 PolarHBondContact O-N 3.42Å; Q843-T847 PolarHBondContact O-OG1 3.23Å; R844-T847 WeakPolarHBondContact O-CB 3.31Å; R844-T847 PolarHBondContact O-N 3.13Å; R844-T847 VanDerWaalsContact O-N 3.13Å; D845-T847 VanDerWaalsContact C-N 3.33Å; D845-T847 PolarHBondContact O-N 3.34Å; T847-K851 WeakPolarHBondContact O-CG 3.29Å; T847-K851 PolarHBondContact O-N 3.46Å; T847-K851 VanDerWaalsContact O-N 3.16Å |
| 848 | V | 66.6 | Low | 66.7 | Low | 88 Ų | 88 | 86.3 Ų | 86.3 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | R844 D845 A850 K851 T852 | R844-V848 WeakPolarHBondContact O-CG2 3.48Å; R844-V848 PolarHBondContact O-N 2.89Å; D845-V848 PolarHBondContact O-N 3.31Å; V848-A850 PolarHBondContact O-N 3.47Å; V848-K851 PolarHBondContact O-N 3.23Å; V848-T852 PolarHBondContact O-N 2.92Å; V848-T852 PolarHBondContact O-OG1 3.48Å; V848-T852 VanDerWaalsContact O-OG1 3.13Å |
| 849 | L | 63.7 | Low | 63.5 | Low | 114 Ų | 114 | 89.9 Ų | 89.9 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.2 | -40.1 | 176.8 | -73.9 | 167.8 | 0 | 0 | 0 | 112.9 | D845 K851 T852 G853 | D845-L849 WeakPolarHBondContact O-CG 3.47Å; D845-L849 PolarHBondContact O-N 3.35Å; L849-K851 VanDerWaalsContact C-N 3.35Å; L849-T852 PolarHBondContact O-N 2.73Å; L849-T852 PolarHBondContact O-OG1 3.39Å; L849-G853 PolarHBondContact O-N 3.16Å |
| 850 | A | 59.3 | Low | 60.3 | Low | 65 Ų | 65 | 98.4 Ų | 98.4 | 54% | 0.537 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.4 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | N846 V848 D854 | N846-A850 WeakPolarHBondContact O-CB 3.43Å; N846-A850 PolarHBondContact O-N 3.05Å; V848-A850 PolarHBondContact O-N 3.47Å; A850-D854 PolarHBondContact O-N 3.12Å |
| 851 | K | 57.2 | Low | 57.4 | Low | 156 Ų | 156 | 103.7 Ų | 103.7 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.7 | -31.7 | 178.3 | -74.1 | 178.7 | 179.2 | 179.8 | 0 | 113.5 | T847 V848 L849 | T847-K851 WeakPolarHBondContact O-CG 3.29Å; T847-K851 PolarHBondContact O-N 3.46Å; T847-K851 VanDerWaalsContact O-N 3.16Å; V848-K851 PolarHBondContact O-N 3.23Å; L849-K851 VanDerWaalsContact C-N 3.35Å |
| 852 | T | 55.7 | Low | 54.9 | Low | 88 Ų | 88 | 112.6 Ų | 112.6 | 54% | 0.54 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -83.3 | -22.7 | 177 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | V848 L849 S855 | V848-T852 PolarHBondContact O-N 2.92Å; V848-T852 PolarHBondContact O-OG1 3.48Å; V848-T852 VanDerWaalsContact O-OG1 3.13Å; L849-T852 PolarHBondContact O-N 2.73Å; L849-T852 PolarHBondContact O-OG1 3.39Å; T852-S855 PolarHBondContact O-OG 3.49Å |
| 853 | G | 45.1 | Very low | 52.5 | Low | 57 Ų | 57 | 120.7 Ų | 120.7 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74 | -29.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L849 S855 | L849-G853 PolarHBondContact O-N 3.16Å; G853-S855 VanDerWaalsContact C-N 3.34Å |
| 854 | D | 47.3 | Very low | 51.1 | Low | 157 Ų | 157 | 122.4 Ų | 122.4 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -7.3 | -178.3 | -126.5 | 7.3 | 0 | 0 | 0 | 113.6 | A850 | A850-D854 PolarHBondContact O-N 3.12Š|
| 855 | S | 43.4 | Very low | 49.6 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 13 | 174.3 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | T852 G853 | T852-S855 PolarHBondContact O-OG 3.49Å; G853-S855 VanDerWaalsContact C-N 3.34Å |
| 856 | G | 43 | Very low | 48.1 | Very low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -112.9 | 0.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 857 | D | 41.3 | Very low | 46.7 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -152.4 | 76.6 | -177.3 | -151.4 | 10.3 | 0 | 0 | 0 | 112.6 | ||
| 858 | N | 35.7 | Very low | 45.3 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | trans | -169.3 | 105.9 | 154.8 | -97.5 | -35 | 0 | 0 | 0 | 112.3 | ||||
| 859 | G | 30.6 | Very low | 43.9 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 108.4 | 115.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 860 | E | 30.2 | Very low | 42.5 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | cis | -149.9 | 128.3 | 37.1 | -70.3 | 176.7 | 131.8 | 0 | 0 | 111.7 | ||||
| 861 | I | 34.5 | Very low | 41.2 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -119.7 | 104.6 | 145.8 | -64 | 173.1 | 0 | 0 | 0 | 107.2 | ||||
| 862 | K | 35.8 | Very low | 39.9 | Very low | 205 Ų | 205 | 136 Ų | 136 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -125.8 | 110.3 | 142.9 | -79.7 | -178.6 | 176.4 | 175.5 | 0 | 103.2 | ||||
| 863 | T | 36 | Very low | 38.4 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 100% | 1.245 | 84% | 0.836 | S | S | * | * | -133.5 | 0 | 65.3 | 44.6 | 0 | 0 | 0 | 0 | 114.5 |
Retrieved 863 of 863 residues in 2368.9 ms
(Link to these results)