| 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 | 53.8 | Low | 70 | Confident | 169 Ų | 169 | 75.8 Ų | 75.8 | 83% | 0.833 | 44% | 0.444 | S | S | * | . | 0 | 123.6 | 0 | -167.8 | -179.4 | -105.9 | 0 | 0 | 106 | F4 | M1-F4 HydrophobicContact CE-CE1 4.43Å; M1-F4 HydrophobicContact SD-CD1 4.21Å; M1-F4 HydrophobicContact SD-CE1 3.54Å; M1-F4 VanDerWaalsContact SD-CE1 3.54Å; M1-F4 HydrophobicContact SD-CE2 4.37Å; M1-F4 HydrophobicContact SD-CZ 3.63Å | |||
| 2 | V | 64.7 | Low | 71 | Confident | 50 Ų | 50 | 73 Ų | 73 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | trans | -96.4 | -25.2 | -163.9 | -177 | 0 | 0 | 0 | 0 | 112.6 | I226 W250 L256 | V2-I226 HydrophobicContact CG1-CG2 4.44Å; V2-W250 HydrophobicContact CG1-CH2 4.1Å; V2-W250 VanDerWaalsContact O-CZ3 3.22Å; V2-W250 WeakPolarHBondContact O-CZ3 3.34Å; V2-L256 HydrophobicContact CG1-CD2 3.33Å; V2-L256 WeakPolarHBondContact O-CD2 3.41Å | ||
| 3 | A | 68.6 | Low | 71.9 | Confident | 19 Ų | 19 | 68 Ų | 68 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | trans | -161.4 | 157.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | P26 L28 I226 | A3-P26 WeakPolarHBondContact CA-O 3.32Å; A3-P26 HydrophobicContact CB-CB 3.93Å; A3-L28 HydrophobicContact CB-CD1 3.9Å; A3-I226 HydrophobicContact CB-CD1 3.83Å; A3-I226 HydrophobicContact CB-CG1 4.22Å | ||
| 4 | F | 76.4 | Confident | 72.7 | Confident | 83 Ų | 83 | 68 Ų | 68 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.8 | 168 | -76.7 | -78.8 | 0 | 0 | 0 | 110.1 | M1 C20 V25 P26 F27 L28 | M1-F4 HydrophobicContact CE-CE1 4.43Å; M1-F4 HydrophobicContact SD-CD1 4.21Å; M1-F4 HydrophobicContact SD-CE1 3.54Å; M1-F4 VanDerWaalsContact SD-CE1 3.54Å; M1-F4 HydrophobicContact SD-CE2 4.37Å; M1-F4 HydrophobicContact SD-CZ 3.63Å; F4-C20 VanDerWaalsContact CD2-SG 3.52Å; F4-V25 HydrophobicContact CD2-CB 4.43Å; F4-V25 HydrophobicContact CD2-CG1 3.56Å; F4-V25 HydrophobicContact CE2-CG1 3.87Å; F4-P26 PolarHBondContact N-O 2.89Å; F4-F27 HydrophobicContact CB-CD2 3.9Å; F4-L28 PolarHBondContact O-N 3.38Å |
| 5 | L | 74.5 | Confident | 73.5 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.8 | 170.9 | -175.1 | 73.9 | 0 | 0 | 0 | 108 | L28 T30 I219 A222 V223 | L5-L28 HydrophobicContact CD1-CB 3.72Å; L5-T30 HydrophobicContact CD1-CG2 3.55Å; L5-T30 HydrophobicContact CG-CG2 4.3Å; L5-I219 HydrophobicContact CD2-CB 4.44Å; L5-I219 HydrophobicContact CD2-CG1 4.3Å; L5-I219 HydrophobicContact CD2-CG2 3.92Å; L5-A222 HydrophobicContact CD1-CB 3.4Å; L5-A222 VanDerWaalsContact CD1-CB 3.4Å; L5-A222 HydrophobicContact CD2-CB 4.5Å; L5-V223 HydrophobicContact CD2-CG2 4.24Å |
| 6 | T | 70.8 | Confident | 74.2 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 16% | 0.16 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.8 | 177.2 | -166.3 | 0 | 0 | 0 | 0 | 112.8 | V8 F27 L28 T30 | T6-V8 HydrophobicContact CG2-CB 4.45Å; T6-V8 VanDerWaalsContact OG1-CB 3.22Å; T6-V8 WeakPolarHBondContact OG1-CB 3.38Å; T6-V8 WeakPolarHBondContact OG1-CG2 3.45Å; T6-V8 PolarHBondContact OG1-N 3.23Å; T6-F27 HydrophobicContact CG2-CE1 4.36Å; T6-F27 HydrophobicContact CG2-CE2 3.34Å; T6-F27 HydrophobicContact CG2-CZ 3.22Å; T6-L28 PolarHBondContact N-O 2.88Å; T6-T30 PolarHBondContact O-OG1 3.41Å |
| 7 | A | 67.2 | Low | 74.9 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 50% | 0.496 | 38% | 0.384 | S | S | . | . | trans | -101.7 | 3.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 8 | V | 71.8 | Confident | 75.6 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | trans | -68.9 | 132.3 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | T6 A12 S13 | T6-V8 HydrophobicContact CG2-CB 4.45Å; T6-V8 VanDerWaalsContact OG1-CB 3.22Å; T6-V8 WeakPolarHBondContact OG1-CB 3.38Å; T6-V8 WeakPolarHBondContact OG1-CG2 3.45Å; T6-V8 PolarHBondContact OG1-N 3.23Å; V8-A12 HydrophobicContact CG1-CB 3.44Å; V8-A12 VanDerWaalsContact CG1-CB 3.44Å; V8-S13 WeakPolarHBondContact O-CB 3.46Å; V8-S13 PolarHBondContact O-OG 3.43Å | ||
| 9 | K | 72.6 | Confident | 76.1 | Confident | 157 Ų | 157 | 66.6 Ų | 66.6 | 68% | 0.683 | 39% | 0.39 | S | S | * | . | trans | -104.9 | 167.2 | -178.7 | -61.9 | -179 | -177.3 | 177.6 | 0 | 111.3 | ||||
| 10 | G | 73.3 | Confident | 76.8 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 54% | 0.536 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | 68.2 | -149.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A12 S13 E14 | G10-A12 VanDerWaalsContact C-N 3.27Å; G10-A12 PolarHBondContact O-N 3.46Å; G10-S13 WeakPolarHBondContact O-CA 3.49Å; G10-S13 WeakPolarHBondContact O-CB 3.45Å; G10-S13 PolarHBondContact O-N 3.1Å; G10-E14 PolarHBondContact O-N 3.46Å |
| 11 | S | 76.4 | Confident | 77.3 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.9 | -36.1 | -174 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | S13 E14 N15 | S11-S13 VanDerWaalsContact C-N 3.32Å; S11-S13 PolarHBondContact O-N 3.24Å; S11-E14 PolarHBondContact O-N 3.13Å; S11-N15 VanDerWaalsContact O-CG 3.25Å; S11-N15 PolarHBondContact O-N 3.34Å |
| 12 | A | 81.9 | Confident | 79 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 35% | 0.347 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V8 G10 N15 V16 | V8-A12 HydrophobicContact CG1-CB 3.44Å; V8-A12 VanDerWaalsContact CG1-CB 3.44Å; G10-A12 VanDerWaalsContact C-N 3.27Å; G10-A12 PolarHBondContact O-N 3.46Å; A12-N15 PolarHBondContact O-N 2.66Å; A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.29Å |
| 13 | S | 82.2 | Confident | 80.1 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 173.5 | -153.2 | 0 | 0 | 0 | 0 | 111.3 | V8 G10 S11 V16 R17 | V8-S13 WeakPolarHBondContact O-CB 3.46Å; V8-S13 PolarHBondContact O-OG 3.43Å; G10-S13 WeakPolarHBondContact O-CA 3.49Å; G10-S13 WeakPolarHBondContact O-CB 3.45Å; G10-S13 PolarHBondContact O-N 3.1Å; S11-S13 VanDerWaalsContact C-N 3.32Å; S11-S13 PolarHBondContact O-N 3.24Å; S13-V16 PolarHBondContact O-N 3.06Å; S13-R17 VanDerWaalsContact O-CB 3.26Å; S13-R17 WeakPolarHBondContact O-CB 3.43Å; S13-R17 PolarHBondContact O-N 3.46Å |
| 14 | E | 83.1 | Confident | 81 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 178.2 | -64.4 | -161.7 | 144.4 | 0 | 0 | 112.6 | G10 S11 R17 S18 S35 | G10-E14 PolarHBondContact O-N 3.46Å; S11-E14 PolarHBondContact O-N 3.13Å; E14-R17 PolarHBondContact O-N 2.88Å; E14-R17 IonicContact OE1-NH2 2.76Å; E14-S18 WeakPolarHBondContact O-CB 3.47Å; E14-S18 PolarHBondContact O-N 2.92Å; E14-S35 WeakPolarHBondContact OE1-CB 3.41Å; E14-S35 PolarHBondContact OE1-OG 3.49Å |
| 15 | N | 85.3 | Confident | 81.7 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 60% | 0.599 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.7 | -45.8 | 176.1 | -71.3 | -15 | 0 | 0 | 0 | 111.5 | S11 A12 R17 S18 L19 | S11-N15 VanDerWaalsContact O-CG 3.25Å; S11-N15 PolarHBondContact O-N 3.34Å; A12-N15 PolarHBondContact O-N 2.66Å; N15-R17 VanDerWaalsContact C-N 3.34Å; N15-S18 PolarHBondContact O-N 2.99Å; N15-L19 WeakPolarHBondContact O-CB 3.32Å; N15-L19 PolarHBondContact O-N 2.87Å |
| 16 | V | 84.8 | Confident | 82.4 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | A12 S13 S18 L19 C20 F27 | A12-V16 VanDerWaalsContact O-CG2 3.3Å; A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.29Å; S13-V16 PolarHBondContact O-N 3.06Å; V16-S18 PolarHBondContact O-N 2.88Å; V16-L19 WeakPolarHBondContact O-CB 3.33Å; V16-L19 PolarHBondContact O-N 2.93Å; V16-C20 WeakPolarHBondContact O-CB 3.33Å; V16-C20 PolarHBondContact O-N 3.49Å; V16-C20 PolarHBondContact O-SG 3.28Å; V16-F27 HydrophobicContact CB-CE2 4.15Å; V16-F27 HydrophobicContact CB-CZ 4.39Å; V16-F27 HydrophobicContact CG1-CD2 3.99Å; V16-F27 HydrophobicContact CG1-CE2 3.46Å; V16-F27 VanDerWaalsContact CG1-CE2 3.46Å; V16-F27 HydrophobicContact CG1-CZ 4.17Å |
| 17 | R | 86.3 | Confident | 83.4 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.2 | -168.3 | 169.7 | 64.1 | 178.9 | -0.1 | 112 | S13 E14 N15 L19 C20 E21 F27 D33 S35 F39 | S13-R17 VanDerWaalsContact O-CB 3.26Å; S13-R17 WeakPolarHBondContact O-CB 3.43Å; S13-R17 PolarHBondContact O-N 3.46Å; E14-R17 PolarHBondContact O-N 2.88Å; E14-R17 IonicContact OE1-NH2 2.76Å; N15-R17 VanDerWaalsContact C-N 3.34Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 3.44Å; R17-C20 PolarHBondContact O-N 3Å; R17-E21 WeakPolarHBondContact O-CB 3.44Å; R17-E21 PolarHBondContact O-N 3.23Å; R17-F27 HydrophobicContact CB-CD1 3.87Å; R17-F27 HydrophobicContact CB-CE1 3.71Å; R17-F27 HydrophobicContact CB-CZ 4.39Å; R17-F27 HydrophobicContact CG-CD1 3.73Å; R17-F27 HydrophobicContact CG-CE1 3.99Å; R17-D33 VanDerWaalsContact NH1-CG 3.31Å; R17-D33 IonicContact NH1-OD1 2.73Å; R17-D33 PolarHBondContact NH1-OD1 3.34Å; R17-D33 IonicContact NH1-OD2 3.82Å; R17-D33 PolarHBondContact NH1-OD2 3.45Å; R17-S35 PolarHBondContact NH2-OG 2.87Å; R17-F39 HydrophobicContact CG-CB 4.02Å; R17-F39 HydrophobicContact CG-CD1 3.78Å; R17-F39 HydrophobicContact CG-CD2 4.18Å; R17-F39 HydrophobicContact CG-CE1 4.23Å; R17-F39 HydrophobicContact CG-CG 3.73Å; R17-F39 VanDerWaalsContact NH2-CD2 3.28Å |
| 18 | S | 86.5 | Confident | 84.5 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 175.6 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | E14 N15 V16 G22 | E14-S18 WeakPolarHBondContact O-CB 3.47Å; E14-S18 PolarHBondContact O-N 2.92Å; N15-S18 PolarHBondContact O-N 2.99Å; V16-S18 PolarHBondContact O-N 2.88Å; S18-G22 PolarHBondContact O-N 3.47Å; S18-G22 VanDerWaalsContact O-N 3.13Å |
| 19 | L | 86.5 | Confident | 85.4 | Confident | 76 Ų | 76 | 44 Ų | 44 | 40% | 0.398 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 174 | 179.3 | 65 | 0 | 0 | 0 | 110.8 | N15 V16 R17 E21 G22 R23 | N15-L19 WeakPolarHBondContact O-CB 3.32Å; N15-L19 PolarHBondContact O-N 2.87Å; V16-L19 WeakPolarHBondContact O-CB 3.33Å; V16-L19 PolarHBondContact O-N 2.93Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 3.44Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.31Å; L19-G22 PolarHBondContact O-N 2.86Å; L19-R23 HydrophobicContact CD1-CG 4.28Å; L19-R23 WeakPolarHBondContact O-CG 3.24Å; L19-R23 PolarHBondContact O-N 3.21Å |
| 20 | C | 88.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.4 | -74 | 0 | 0 | 0 | 0 | 112.3 | F4 V16 R17 R23 D24 V25 F27 | F4-C20 VanDerWaalsContact CD2-SG 3.52Å; V16-C20 WeakPolarHBondContact O-CB 3.33Å; V16-C20 PolarHBondContact O-N 3.49Å; V16-C20 PolarHBondContact O-SG 3.28Å; R17-C20 PolarHBondContact O-N 3Å; C20-R23 PolarHBondContact O-N 3.43Å; C20-D24 PolarHBondContact O-N 2.88Å; C20-D24 VanDerWaalsContact O-N 3.16Å; C20-V25 WeakPolarHBondContact CB-O 3.5Å; C20-V25 PolarHBondContact O-N 3.2Å; C20-F27 HydrophobicContact CB-CB 3.78Å; C20-F27 HydrophobicContact CB-CG 4.38Å |
| 21 | E | 88.4 | Confident | 86.8 | Confident | 46 Ų | 46 | 34.8 Ų | 34.8 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 176.2 | -165.5 | 75.8 | -173.2 | 0 | 0 | 111.6 | R17 L19 R23 D24 F39 L40 N41 | R17-E21 WeakPolarHBondContact O-CB 3.44Å; R17-E21 PolarHBondContact O-N 3.23Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.31Å; E21-R23 PolarHBondContact O-N 2.89Å; E21-R23 VanDerWaalsContact O-N 3.14Å; E21-D24 PolarHBondContact O-N 3.29Å; E21-F39 HydrophobicContact CB-CD1 3.93Å; E21-F39 HydrophobicContact CB-CE1 4.46Å; E21-F39 HydrophobicContact CG-CD1 4Å; E21-L40 WeakPolarHBondContact OE1-CB 3.42Å; E21-L40 PolarHBondContact OE1-N 2.82Å; E21-L40 PolarHBondContact OE2-N 2.89Å; E21-N41 PolarHBondContact OE1-N 2.82Å; E21-N41 WeakPolarHBondContact OE2-CA 3.3Å; E21-N41 WeakPolarHBondContact OE2-CB 3.34Å; E21-N41 PolarHBondContact OE2-N 2.84Å |
| 22 | G | 88.5 | Confident | 87.4 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 49% | 0.485 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | S18 L19 | S18-G22 PolarHBondContact O-N 3.47Å; S18-G22 VanDerWaalsContact O-N 3.13Å; L19-G22 PolarHBondContact O-N 2.86Å |
| 23 | R | 88.1 | Confident | 87.6 | Confident | 38 Ų | 38 | 31 Ų | 31 | 14% | 0.143 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 2.5 | -178.4 | -58.6 | -60.8 | 172.2 | -162.4 | 2.5 | 113.5 | L19 C20 E21 V25 I242 C244 N246 T248 W250 | L19-R23 HydrophobicContact CD1-CG 4.28Å; L19-R23 WeakPolarHBondContact O-CG 3.24Å; L19-R23 PolarHBondContact O-N 3.21Å; C20-R23 PolarHBondContact O-N 3.43Å; E21-R23 PolarHBondContact O-N 2.89Å; E21-R23 VanDerWaalsContact O-N 3.14Å; R23-V25 HydrophobicContact CB-CG2 3.79Å; R23-V25 PolarHBondContact O-N 3.29Å; R23-I242 HydrophobicContact CB-CG2 4.41Å; R23-I242 HydrophobicContact CG-CG2 4.37Å; R23-C244 PolarHBondContact NH2-O 3.49Å; R23-N246 PolarHBondContact NH1-O 3.14Å; R23-N246 PolarHBondContact NH2-O 3.44Å; R23-T248 WeakPolarHBondContact CD-O 3.26Å; R23-T248 PolarHBondContact NH1-O 3.43Å; R23-W250 PolarHBondContact O-N 2.92Å |
| 24 | D | 89 | Confident | 87.8 | Confident | 43 Ų | 43 | 34.8 Ų | 34.8 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.4 | -169.9 | -68.3 | -29.7 | 0 | 0 | 0 | 113.6 | C20 E21 N41 V249 G253 T254 | C20-D24 PolarHBondContact O-N 2.88Å; C20-D24 VanDerWaalsContact O-N 3.16Å; E21-D24 PolarHBondContact O-N 3.29Å; D24-N41 PolarHBondContact OD1-ND2 3.46Å; D24-V249 HydrophobicContact CB-CB 4.36Å; D24-G253 CarbonylContact O-C 3.36Å; D24-G253 WeakPolarHBondContact O-CA 3.21Å; D24-T254 VanDerWaalsContact CG-OG1 3.29Å; D24-T254 PolarHBondContact OD1-OG1 3.08Å |
| 25 | V | 89.4 | Confident | 87.7 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | trans | -94.8 | 124.8 | 178.5 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | F4 C20 R23 F27 I242 | F4-V25 HydrophobicContact CD2-CB 4.43Å; F4-V25 HydrophobicContact CD2-CG1 3.56Å; F4-V25 HydrophobicContact CE2-CG1 3.87Å; C20-V25 WeakPolarHBondContact CB-O 3.5Å; C20-V25 PolarHBondContact O-N 3.2Å; R23-V25 HydrophobicContact CB-CG2 3.79Å; R23-V25 PolarHBondContact O-N 3.29Å; V25-F27 PolarHBondContact O-N 2.87Å; V25-I242 HydrophobicContact CG2-CD1 3.34Å | ||
| 26 | P | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -54.1 | 124.5 | 174 | -33.1 | 40.8 | 0 | 0 | 0 | 113.8 | A3 F4 L28 W250 G253 L256 M257 I260 | A3-P26 WeakPolarHBondContact CA-O 3.32Å; A3-P26 HydrophobicContact CB-CB 3.93Å; F4-P26 PolarHBondContact N-O 2.89Å; P26-L28 HydrophobicContact CB-CD1 4.4Å; P26-W250 HydrophobicContact CG-CZ3 4.26Å; P26-G253 WeakPolarHBondContact CG-O 3.18Å; P26-L256 HydrophobicContact CG-CB 4.22Å; P26-L256 HydrophobicContact CG-CD2 3.99Å; P26-L256 HydrophobicContact CG-CG 4.09Å; P26-M257 HydrophobicContact CB-CE 3.55Å; P26-M257 HydrophobicContact CG-CB 4.32Å; P26-M257 HydrophobicContact CG-CE 4.11Å; P26-I260 HydrophobicContact CB-CD1 4.23Å | ||
| 27 | F | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.4 | 176.6 | -177.2 | -112.7 | 0 | 0 | 0 | 111.6 | F4 T6 V16 R17 C20 V25 M29 N41 S42 I43 | F4-F27 HydrophobicContact CB-CD2 3.9Å; T6-F27 HydrophobicContact CG2-CE1 4.36Å; T6-F27 HydrophobicContact CG2-CE2 3.34Å; T6-F27 HydrophobicContact CG2-CZ 3.22Å; V16-F27 HydrophobicContact CB-CE2 4.15Å; V16-F27 HydrophobicContact CB-CZ 4.39Å; V16-F27 HydrophobicContact CG1-CD2 3.99Å; V16-F27 HydrophobicContact CG1-CE2 3.46Å; V16-F27 VanDerWaalsContact CG1-CE2 3.46Å; V16-F27 HydrophobicContact CG1-CZ 4.17Å; R17-F27 HydrophobicContact CB-CD1 3.87Å; R17-F27 HydrophobicContact CB-CE1 3.71Å; R17-F27 HydrophobicContact CB-CZ 4.39Å; R17-F27 HydrophobicContact CG-CD1 3.73Å; R17-F27 HydrophobicContact CG-CE1 3.99Å; C20-F27 HydrophobicContact CB-CB 3.78Å; C20-F27 HydrophobicContact CB-CG 4.38Å; V25-F27 PolarHBondContact O-N 2.87Å; F27-M29 HydrophobicContact CD1-CG 3.76Å; F27-M29 HydrophobicContact CD1-SD 4.46Å; F27-M29 HydrophobicContact CE1-CG 3.39Å; F27-M29 HydrophobicContact CE1-SD 4.07Å; F27-M29 HydrophobicContact CZ-CG 4.29Å; F27-N41 PolarHBondContact N-O 3.49Å; F27-S42 CarbonylContact O-C 3.6Å; F27-S42 VanDerWaalsContact O-CA 3.28Å; F27-S42 WeakPolarHBondContact O-CA 3.39Å; F27-I43 PolarHBondContact O-N 2.75Å |
| 28 | L | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.9 | 179.7 | -71.8 | 78.5 | 0 | 0 | 0 | 110.5 | A3 F4 L5 T6 P26 I43 L45 A222 V225 I226 | A3-L28 HydrophobicContact CB-CD1 3.9Å; F4-L28 PolarHBondContact O-N 3.38Å; L5-L28 HydrophobicContact CD1-CB 3.72Å; T6-L28 PolarHBondContact N-O 2.88Å; P26-L28 HydrophobicContact CB-CD1 4.4Å; L28-I43 CarbonylContact C-O 3.6Å; L28-I43 WeakPolarHBondContact CA-O 3.01Å; L28-L45 HydrophobicContact CB-CD1 4.31Å; L28-L45 HydrophobicContact CD2-CD1 4.01Å; L28-L45 HydrophobicContact CG-CD1 4.43Å; L28-A222 HydrophobicContact CD2-CB 3.91Å; L28-V225 HydrophobicContact CD2-CG1 3.88Å; L28-I226 HydrophobicContact CD1-CD1 3.94Å; L28-I226 HydrophobicContact CD1-CG1 4.07Å; L28-I226 HydrophobicContact CD2-CD1 3.68Å; L28-I226 HydrophobicContact CD2-CG1 3.67Å; L28-I226 HydrophobicContact CG-CD1 4.39Å |
| 29 | M | 89.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.7 | 177.8 | -60.2 | 179.1 | 71.9 | 0 | 0 | 110.7 | F27 D33 I43 N44 L45 | F27-M29 HydrophobicContact CD1-CG 3.76Å; F27-M29 HydrophobicContact CD1-SD 4.46Å; F27-M29 HydrophobicContact CE1-CG 3.39Å; F27-M29 HydrophobicContact CE1-SD 4.07Å; F27-M29 HydrophobicContact CZ-CG 4.29Å; M29-D33 HydrophobicContact CE-CB 3.68Å; M29-D33 HydrophobicContact SD-CB 4.23Å; M29-I43 PolarHBondContact N-O 3.14Å; M29-N44 HydrophobicContact CB-CB 4.07Å; M29-N44 PolarHBondContact O-OD1 2.92Å; M29-L45 PolarHBondContact O-N 3.43Å; M29-L45 VanDerWaalsContact O-N 3.09Å |
| 30 | T | 87.3 | Confident | 86.3 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | trans | -123.3 | 31.7 | -179.6 | 63.2 | 0 | 0 | 0 | 0 | 112 | L5 T6 Y46 V218 I219 A222 | L5-T30 HydrophobicContact CD1-CG2 3.55Å; L5-T30 HydrophobicContact CG-CG2 4.3Å; T6-T30 PolarHBondContact O-OG1 3.41Å; T30-Y46 VanDerWaalsContact C-CE2 3.42Å; T30-Y46 VanDerWaalsContact O-CD2 3.3Å; T30-Y46 WeakPolarHBondContact O-CD2 3.2Å; T30-Y46 WeakPolarHBondContact O-CE2 3.5Å; T30-V218 HydrophobicContact CG2-CG1 3.82Å; T30-I219 HydrophobicContact CG2-CG1 4.04Å; T30-A222 HydrophobicContact CG2-CB 4.45Å | ||
| 31 | S | 88 | Confident | 86.3 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -151.4 | 166.5 | 176 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | D33 N44 | S31-D33 PolarHBondContact O-N 2.83Å; S31-N44 PolarHBondContact O-ND2 2.88Å; S31-N44 PolarHBondContact O-OD1 3.41Å |
| 32 | F | 89.2 | Confident | 86.4 | Confident | 39 Ų | 39 | 39 Ų | 39 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | trans | -55.6 | 129.3 | 175.1 | -71 | -69.8 | 0 | 0 | 0 | 111.5 | Y34 Y46 P47 P49 I52 Q80 L156 | F32-Y34 HydrophobicContact CB-CD2 4.46Å; F32-Y34 HydrophobicContact CB-CE2 3.74Å; F32-Y46 HydrophobicContact CD1-CD1 4.2Å; F32-Y46 HydrophobicContact CD2-CD1 4.03Å; F32-Y46 HydrophobicContact CD2-CE1 4.31Å; F32-Y46 HydrophobicContact CE1-CD1 4.17Å; F32-Y46 AromaticContact CE2-CD1 3.98Å; F32-Y46 HydrophobicContact CE2-CD1 3.98Å; F32-Y46 HydrophobicContact CE2-CE1 4.1Å; F32-Y46 HydrophobicContact CG-CD1 4.14Å; F32-Y46 HydrophobicContact CZ-CD1 4.06Å; F32-Y46 HydrophobicContact CZ-CE1 4.45Å; F32-P47 WeakPolarHBondContact CD1-O 3.41Å; F32-P47 HydrophobicContact CE1-CG 4Å; F32-P49 HydrophobicContact CB-CG 4.36Å; F32-P49 HydrophobicContact CD1-CB 4.47Å; F32-P49 HydrophobicContact CD1-CG 4.28Å; F32-I52 HydrophobicContact CE1-CD1 4.1Å; F32-I52 HydrophobicContact CE1-CG1 3.69Å; F32-I52 HydrophobicContact CZ-CD1 3.9Å; F32-I52 HydrophobicContact CZ-CG1 3.71Å; F32-Q80 VanDerWaalsContact CE2-NE2 3.26Å; F32-L156 HydrophobicContact CE2-CD1 4.25Å; F32-L156 HydrophobicContact CZ-CD1 3.7Å; F32-L156 HydrophobicContact CZ-CG 4.18Å | ||
| 33 | D | 87 | Confident | 86.5 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | trans | -105.5 | 109.1 | 177.1 | 179.1 | 19.2 | 0 | 0 | 0 | 110.1 | R17 M29 S31 S35 N44 P49 K279 | R17-D33 VanDerWaalsContact NH1-CG 3.31Å; R17-D33 IonicContact NH1-OD1 2.73Å; R17-D33 PolarHBondContact NH1-OD1 3.34Å; R17-D33 IonicContact NH1-OD2 3.82Å; R17-D33 PolarHBondContact NH1-OD2 3.45Å; M29-D33 HydrophobicContact CE-CB 3.68Å; M29-D33 HydrophobicContact SD-CB 4.23Å; S31-D33 PolarHBondContact O-N 2.83Å; D33-S35 VanDerWaalsContact OD1-CB 3.22Å; D33-S35 WeakPolarHBondContact OD1-CB 3.3Å; D33-S35 PolarHBondContact OD1-N 3.25Å; D33-N44 WeakPolarHBondContact CB-ND2 3.33Å; D33-N44 PolarHBondContact N-ND2 3.46Å; D33-P49 VanDerWaalsContact O-CG 3.31Å; D33-P49 WeakPolarHBondContact O-CG 3.36Å; D33-K279 IonicContact OD2-NZ 3.92Å; D33-K279 PolarHBondContact OD2-NZ 3.28Å | ||
| 34 | Y | 85.3 | Confident | 86.6 | Confident | 88 Ų | 88 | 35.2 Ų | 35.2 | 35% | 0.345 | 19% | 0.185 | S | C | . | . | trans | -93.9 | -2 | 179.6 | -59.8 | -77.4 | 0 | 0 | 0 | 113.4 | F32 P49 S76 V79 Q80 | F32-Y34 HydrophobicContact CB-CD2 4.46Å; F32-Y34 HydrophobicContact CB-CE2 3.74Å; Y34-P49 HydrophobicContact CD1-CB 3.88Å; Y34-P49 HydrophobicContact CD1-CG 3.73Å; Y34-P49 HydrophobicContact CE1-CB 3.6Å; Y34-P49 HydrophobicContact CE1-CG 3.78Å; Y34-P49 HydrophobicContact CG-CG 4.42Å; Y34-S76 WeakPolarHBondContact CE1-O 3.45Å; Y34-S76 PolarHBondContact OH-OG 3.44Å; Y34-V79 HydrophobicContact CD1-CB 4.23Å; Y34-V79 HydrophobicContact CD1-CG1 4.1Å; Y34-V79 HydrophobicContact CE1-CB 4.46Å; Y34-Q80 HydrophobicContact CE1-CG 3.82Å; Y34-Q80 VanDerWaalsContact OH-CD 3.26Å; Y34-Q80 WeakPolarHBondContact OH-CG 3.34Å; Y34-Q80 PolarHBondContact OH-NE2 2.84Å | ||
| 35 | S | 81.4 | Confident | 86.8 | Confident | 20 Ų | 20 | 33.1 Ų | 33.1 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | trans | -72.1 | 134.5 | -176.3 | -161.8 | 0 | 0 | 0 | 0 | 110.7 | E14 R17 D33 K37 | E14-S35 WeakPolarHBondContact OE1-CB 3.41Å; E14-S35 PolarHBondContact OE1-OG 3.49Å; R17-S35 PolarHBondContact NH2-OG 2.87Å; D33-S35 VanDerWaalsContact OD1-CB 3.22Å; D33-S35 WeakPolarHBondContact OD1-CB 3.3Å; D33-S35 PolarHBondContact OD1-N 3.25Å; S35-K37 VanDerWaalsContact C-N 3.3Å | ||
| 36 | S | 75.9 | Confident | 87 | Confident | 125 Ų | 125 | 33.6 Ų | 33.6 | 87% | 0.874 | 18% | 0.175 | S | C | * | . | trans | -80.3 | -14.5 | 172.3 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 37 | K | 80 | Confident | 87.1 | Confident | 129 Ų | 129 | 33.6 Ų | 33.6 | 56% | 0.561 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -72.1 | 132.8 | -179.6 | -70.8 | 178.3 | -177.8 | 173.5 | 0 | 110.3 | S35 F39 | S35-K37 VanDerWaalsContact C-N 3.3Å; K37-F39 HydrophobicContact CB-CD2 4.09Å; K37-F39 HydrophobicContact CB-CE2 3.45Å; K37-F39 VanDerWaalsContact CB-CE2 3.45Å; K37-F39 HydrophobicContact CB-CZ 4.26Å; K37-F39 HydrophobicContact CD-CE2 4.26Å; K37-F39 HydrophobicContact CD-CZ 4.37Å; K37-F39 WeakPolarHBondContact O-CD2 3.39Å |
| 38 | L | 78 | Confident | 87.1 | Confident | 108 Ų | 108 | 35.6 Ų | 35.6 | 57% | 0.565 | 19% | 0.188 | S | C | * | . | trans | -84.3 | 127.4 | 176.9 | -154 | 83.9 | 0 | 0 | 0 | 109.6 | L40 Y277 | L38-L40 HydrophobicContact CD2-CD2 4.15Å; L38-Y277 HydrophobicContact CD1-CD1 3.63Å; L38-Y277 HydrophobicContact CD1-CE1 4.23Å; L38-Y277 HydrophobicContact CD1-CG 4.02Å; L38-Y277 HydrophobicContact CD2-CD1 3.76Å; L38-Y277 HydrophobicContact CD2-CE1 3.94Å; L38-Y277 HydrophobicContact CG-CD1 4.1Å | ||
| 39 | F | 81.5 | Confident | 87.1 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | trans | -126.8 | 113 | 175.8 | -72.3 | -90.2 | 0 | 0 | 0 | 108.2 | R17 E21 K37 N41 S42 | R17-F39 HydrophobicContact CG-CB 4.02Å; R17-F39 HydrophobicContact CG-CD1 3.78Å; R17-F39 HydrophobicContact CG-CD2 4.18Å; R17-F39 HydrophobicContact CG-CE1 4.23Å; R17-F39 HydrophobicContact CG-CG 3.73Å; R17-F39 VanDerWaalsContact NH2-CD2 3.28Å; E21-F39 HydrophobicContact CB-CD1 3.93Å; E21-F39 HydrophobicContact CB-CE1 4.46Å; E21-F39 HydrophobicContact CG-CD1 4Å; K37-F39 HydrophobicContact CB-CD2 4.09Å; K37-F39 HydrophobicContact CB-CE2 3.45Å; K37-F39 VanDerWaalsContact CB-CE2 3.45Å; K37-F39 HydrophobicContact CB-CZ 4.26Å; K37-F39 HydrophobicContact CD-CE2 4.26Å; K37-F39 HydrophobicContact CD-CZ 4.37Å; K37-F39 WeakPolarHBondContact O-CD2 3.39Å; F39-N41 VanDerWaalsContact C-N 3.35Å; F39-S42 VanDerWaalsContact CB-OG 3.28Å; F39-S42 WeakPolarHBondContact CB-OG 3.46Å; F39-S42 PolarHBondContact O-OG 3.4Å | ||
| 40 | L | 85.1 | Confident | 87.2 | Confident | 91 Ų | 91 | 42.2 Ų | 42.2 | 48% | 0.476 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -26.9 | -173.1 | -65.2 | 174 | 0 | 0 | 0 | 111.6 | E21 L38 S42 K261 | E21-L40 WeakPolarHBondContact OE1-CB 3.42Å; E21-L40 PolarHBondContact OE1-N 2.82Å; E21-L40 PolarHBondContact OE2-N 2.89Å; L38-L40 HydrophobicContact CD2-CD2 4.15Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.97Å; L40-K261 WeakPolarHBondContact O-CE 3.18Å; L40-K261 PolarHBondContact O-NZ 3.3Å |
| 41 | N | 88.3 | Confident | 87.5 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 26.4 | 177.7 | -67.6 | -34.3 | 0 | 0 | 0 | 113.1 | E21 D24 F27 F39 M257 | E21-N41 PolarHBondContact OE1-N 2.82Å; E21-N41 WeakPolarHBondContact OE2-CA 3.3Å; E21-N41 WeakPolarHBondContact OE2-CB 3.34Å; E21-N41 PolarHBondContact OE2-N 2.84Å; D24-N41 PolarHBondContact OD1-ND2 3.46Å; F27-N41 PolarHBondContact N-O 3.49Å; F39-N41 VanDerWaalsContact C-N 3.35Å; N41-M257 WeakPolarHBondContact O-CE 3.33Å |
| 42 | S | 90 | Very high | 87.8 | Confident | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.9 | 175.3 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | F27 F39 L40 | F27-S42 CarbonylContact O-C 3.6Å; F27-S42 VanDerWaalsContact O-CA 3.28Å; F27-S42 WeakPolarHBondContact O-CA 3.39Å; F39-S42 VanDerWaalsContact CB-OG 3.28Å; F39-S42 WeakPolarHBondContact CB-OG 3.46Å; F39-S42 PolarHBondContact O-OG 3.4Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.97Å |
| 43 | I | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.9 | 173.3 | -68.3 | 173.6 | 0 | 0 | 0 | 109.1 | F27 L28 M29 L45 M257 I260 K261 F274 G278 | F27-I43 PolarHBondContact O-N 2.75Å; L28-I43 CarbonylContact C-O 3.6Å; L28-I43 WeakPolarHBondContact CA-O 3.01Å; M29-I43 PolarHBondContact N-O 3.14Å; I43-L45 HydrophobicContact CG2-CD1 4.33Å; I43-M257 HydrophobicContact CD1-CE 4.37Å; I43-M257 HydrophobicContact CD1-SD 3.52Å; I43-M257 VanDerWaalsContact CD1-SD 3.52Å; I43-M257 HydrophobicContact CG1-CE 4.36Å; I43-M257 HydrophobicContact CG1-SD 3.59Å; I43-M257 VanDerWaalsContact CG1-SD 3.59Å; I43-I260 HydrophobicContact CD1-CB 3.66Å; I43-I260 HydrophobicContact CD1-CG2 3.23Å; I43-K261 HydrophobicContact CD1-CG 3.68Å; I43-K261 HydrophobicContact CG1-CG 4.02Å; I43-F274 HydrophobicContact CG2-CD1 3.35Å; I43-F274 HydrophobicContact CG2-CD2 4.06Å; I43-F274 HydrophobicContact CG2-CE1 3.26Å; I43-F274 HydrophobicContact CG2-CE2 3.99Å; I43-F274 HydrophobicContact CG2-CG 3.76Å; I43-F274 HydrophobicContact CG2-CZ 3.59Å; I43-G278 CarbonylContact C-O 3.52Å; I43-G278 WeakPolarHBondContact CA-O 3.32Å |
| 44 | N | 90.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.3 | 172.6 | -165.7 | -3.5 | 0 | 0 | 0 | 111.3 | M29 S31 D33 Y46 G278 | M29-N44 HydrophobicContact CB-CB 4.07Å; M29-N44 PolarHBondContact O-OD1 2.92Å; S31-N44 PolarHBondContact O-ND2 2.88Å; S31-N44 PolarHBondContact O-OD1 3.41Å; D33-N44 WeakPolarHBondContact CB-ND2 3.33Å; D33-N44 PolarHBondContact N-ND2 3.46Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.13Å; N44-Y46 PolarHBondContact OD1-N 2.92Å; N44-G278 PolarHBondContact N-O 3.43Å |
| 45 | L | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -84.4 | -16.2 | 175.8 | -78.2 | 89.7 | 0 | 0 | 0 | 113.5 | L28 M29 I43 V218 D221 A222 F274 R280 | L28-L45 HydrophobicContact CB-CD1 4.31Å; L28-L45 HydrophobicContact CD2-CD1 4.01Å; L28-L45 HydrophobicContact CG-CD1 4.43Å; M29-L45 PolarHBondContact O-N 3.43Å; M29-L45 VanDerWaalsContact O-N 3.09Å; I43-L45 HydrophobicContact CG2-CD1 4.33Å; L45-V218 HydrophobicContact CB-CG1 3.52Å; L45-V218 HydrophobicContact CD2-CG1 4.42Å; L45-D221 HydrophobicContact CD2-CB 3.88Å; L45-A222 HydrophobicContact CD1-CB 3.86Å; L45-A222 HydrophobicContact CD2-CB 3.8Å; L45-A222 VanDerWaalsContact CD2-N 3.33Å; L45-A222 HydrophobicContact CG-CB 4.46Å; L45-F274 HydrophobicContact CD1-CZ 4.29Å; L45-F274 HydrophobicContact CG-CE1 4.08Å; L45-F274 HydrophobicContact CG-CZ 3.9Å; L45-R280 WeakPolarHBondContact O-CD 3.38Å; L45-R280 PolarHBondContact O-NH1 2.87Å | ||
| 46 | Y | 92.2 | Very high | 89.3 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 8% | 0.075 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -71.8 | 151.7 | 168 | -95.9 | -116.5 | 0 | 0 | 0 | 110.6 | T30 F32 N44 L156 T214 V218 | T30-Y46 VanDerWaalsContact C-CE2 3.42Å; T30-Y46 VanDerWaalsContact O-CD2 3.3Å; T30-Y46 WeakPolarHBondContact O-CD2 3.2Å; T30-Y46 WeakPolarHBondContact O-CE2 3.5Å; F32-Y46 HydrophobicContact CD1-CD1 4.2Å; F32-Y46 HydrophobicContact CD2-CD1 4.03Å; F32-Y46 HydrophobicContact CD2-CE1 4.31Å; F32-Y46 HydrophobicContact CE1-CD1 4.17Å; F32-Y46 AromaticContact CE2-CD1 3.98Å; F32-Y46 HydrophobicContact CE2-CD1 3.98Å; F32-Y46 HydrophobicContact CE2-CE1 4.1Å; F32-Y46 HydrophobicContact CG-CD1 4.14Å; F32-Y46 HydrophobicContact CZ-CD1 4.06Å; F32-Y46 HydrophobicContact CZ-CE1 4.45Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.13Å; N44-Y46 PolarHBondContact OD1-N 2.92Å; Y46-L156 HydrophobicContact CD1-CD1 4.18Å; Y46-L156 HydrophobicContact CE1-CD1 3.94Å; Y46-T214 HydrophobicContact CE1-CG2 4.26Å; Y46-T214 HydrophobicContact CE2-CG2 4.4Å; Y46-T214 WeakPolarHBondContact OH-CG2 3.38Å; Y46-V218 HydrophobicContact CD2-CB 4.33Å; Y46-V218 HydrophobicContact CD2-CG1 3.9Å; Y46-V218 HydrophobicContact CD2-CG2 3.93Å; Y46-V218 HydrophobicContact CE2-CB 3.93Å; Y46-V218 HydrophobicContact CE2-CG1 3.93Å; Y46-V218 HydrophobicContact CE2-CG2 3.62Å |
| 47 | P | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -63 | 152.9 | 171.9 | 28 | -35 | 0 | 0 | 0 | 110.8 | F32 I52 L156 L178 F283 | F32-P47 WeakPolarHBondContact CD1-O 3.41Å; F32-P47 HydrophobicContact CE1-CG 4Å; P47-I52 HydrophobicContact CG-CD1 4.4Å; P47-L156 HydrophobicContact CG-CD1 4.25Å; P47-L178 HydrophobicContact CG-CD1 4.42Å; P47-L178 HydrophobicContact CG-CD2 4.35Å; P47-F283 HydrophobicContact CB-CD2 4.08Å; P47-F283 HydrophobicContact CB-CE1 3.93Å; P47-F283 HydrophobicContact CB-CE2 3.37Å; P47-F283 HydrophobicContact CB-CZ 3.28Å; P47-F283 HydrophobicContact CG-CE2 4.39Å |
| 48 | P | 92.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 25.4 Ų | 25.4 | 28% | 0.279 | 13% | 0.134 | S | C | . | . | P | Polyproline II helix | trans | -54.1 | 138.7 | 170.7 | -23.8 | 33.9 | 0 | 0 | 0 | 110.7 | R50 A51 R280 | P48-R50 VanDerWaalsContact C-N 3.25Å; P48-R50 PolarHBondContact O-N 3.09Å; P48-R50 VanDerWaalsContact O-N 3.13Å; P48-A51 VanDerWaalsContact O-CB 3.27Å; P48-A51 WeakPolarHBondContact O-CB 3.3Å; P48-A51 PolarHBondContact O-N 2.94Å; P48-R280 WeakPolarHBondContact CD-O 3.18Å; P48-R280 WeakPolarHBondContact CG-O 3.47Å |
| 49 | P | 91.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 20.6 Ų | 20.6 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -51.6 | -41.2 | -176.8 | -30 | 35 | 0 | 0 | 0 | 114.4 | F32 D33 Y34 A51 I52 Q80 | F32-P49 HydrophobicContact CB-CG 4.36Å; F32-P49 HydrophobicContact CD1-CB 4.47Å; F32-P49 HydrophobicContact CD1-CG 4.28Å; D33-P49 VanDerWaalsContact O-CG 3.31Å; D33-P49 WeakPolarHBondContact O-CG 3.36Å; Y34-P49 HydrophobicContact CD1-CB 3.88Å; Y34-P49 HydrophobicContact CD1-CG 3.73Å; Y34-P49 HydrophobicContact CE1-CB 3.6Å; Y34-P49 HydrophobicContact CE1-CG 3.78Å; Y34-P49 HydrophobicContact CG-CG 4.42Å; P49-A51 PolarHBondContact O-N 3.5Å; P49-I52 WeakPolarHBondContact O-CB 3.3Å; P49-I52 PolarHBondContact O-N 3.13Å; P49-Q80 HydrophobicContact CB-CG 4.01Å; P49-Q80 WeakPolarHBondContact O-CA 3.39Å |
| 50 | R | 91.3 | Very high | 91.8 | Very high | 131 Ų | 131 | 19.3 Ų | 19.3 | 49% | 0.494 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -64.2 | -24.9 | -179.7 | -70.5 | -174.4 | 175.4 | 159.9 | 1 | 114.2 | P48 I52 G53 S54 Q82 | P48-R50 VanDerWaalsContact C-N 3.25Å; P48-R50 PolarHBondContact O-N 3.09Å; P48-R50 VanDerWaalsContact O-N 3.13Å; R50-I52 PolarHBondContact O-N 2.68Å; R50-G53 PolarHBondContact O-N 3.28Å; R50-G53 VanDerWaalsContact O-N 3.12Å; R50-S54 PolarHBondContact O-N 3.04Å; R50-S54 VanDerWaalsContact O-N 3.09Å; R50-S54 PolarHBondContact O-OG 3.49Å; R50-Q82 VanDerWaalsContact CZ-OE1 3.23Å |
| 51 | A | 92.8 | Very high | 92 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 8% | 0.083 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.4 | -31.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P48 P49 S54 V55 F283 W301 | P48-A51 VanDerWaalsContact O-CB 3.27Å; P48-A51 WeakPolarHBondContact O-CB 3.3Å; P48-A51 PolarHBondContact O-N 2.94Å; P49-A51 PolarHBondContact O-N 3.5Å; A51-S54 WeakPolarHBondContact O-CB 3.4Å; A51-S54 PolarHBondContact O-N 3.46Å; A51-V55 WeakPolarHBondContact O-CG2 3.48Å; A51-V55 PolarHBondContact O-N 3.27Å; A51-F283 HydrophobicContact CB-CE2 4.28Å; A51-F283 HydrophobicContact CB-CZ 3.65Å; A51-W301 HydrophobicContact CB-CH2 4.2Å; A51-W301 HydrophobicContact CB-CZ3 4.29Å |
| 52 | I | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.3 | -57.5 | -56.3 | 0 | 0 | 0 | 110.5 | F32 P47 P49 R50 S54 V55 V56 T154 L156 L176 | F32-I52 HydrophobicContact CE1-CD1 4.1Å; F32-I52 HydrophobicContact CE1-CG1 3.69Å; F32-I52 HydrophobicContact CZ-CD1 3.9Å; F32-I52 HydrophobicContact CZ-CG1 3.71Å; P47-I52 HydrophobicContact CG-CD1 4.4Å; P49-I52 WeakPolarHBondContact O-CB 3.3Å; P49-I52 PolarHBondContact O-N 3.13Å; R50-I52 PolarHBondContact O-N 2.68Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 2.93Å; I52-V55 PolarHBondContact O-N 2.97Å; I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.37Å; I52-V56 VanDerWaalsContact O-N 3.1Å; I52-T154 HydrophobicContact CG2-CG2 4.12Å; I52-L156 HydrophobicContact CD1-CD1 4.49Å; I52-L156 HydrophobicContact CD1-CD2 3.93Å; I52-L156 HydrophobicContact CD1-CG 4.41Å; I52-L176 HydrophobicContact CG2-CD1 4.01Å |
| 53 | G | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R50 V55 V56 A57 Q80 | R50-G53 PolarHBondContact O-N 3.28Å; R50-G53 VanDerWaalsContact O-N 3.12Å; G53-V55 PolarHBondContact O-N 3.26Å; G53-V56 PolarHBondContact O-N 3.28Å; G53-A57 WeakPolarHBondContact O-CB 3.34Å; G53-A57 PolarHBondContact O-N 2.96Å; G53-Q80 WeakPolarHBondContact CA-O 3.42Å; G53-Q80 PolarHBondContact N-O 2.9Å |
| 54 | S | 93.5 | Very high | 91.4 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 22% | 0.217 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 176.6 | -52.7 | 0 | 0 | 0 | 0 | 113 | R50 A51 I52 S58 W301 | R50-S54 PolarHBondContact O-N 3.04Å; R50-S54 VanDerWaalsContact O-N 3.09Å; R50-S54 PolarHBondContact O-OG 3.49Å; A51-S54 WeakPolarHBondContact O-CB 3.4Å; A51-S54 PolarHBondContact O-N 3.46Å; I52-S54 VanDerWaalsContact C-N 3.33Å; I52-S54 PolarHBondContact O-N 2.93Å; S54-S58 VanDerWaalsContact O-CB 3.32Å; S54-S58 WeakPolarHBondContact O-CB 3.29Å; S54-S58 PolarHBondContact O-N 3.32Å; S54-S58 PolarHBondContact O-OG 3.17Å; S54-W301 VanDerWaalsContact CB-CZ2 3.48Å |
| 55 | V | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -49.3 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | A51 I52 G53 S58 F59 L176 V285 I287 W301 | A51-V55 WeakPolarHBondContact O-CG2 3.48Å; A51-V55 PolarHBondContact O-N 3.27Å; I52-V55 PolarHBondContact O-N 2.97Å; G53-V55 PolarHBondContact O-N 3.26Å; V55-S58 PolarHBondContact O-N 2.85Å; V55-F59 PolarHBondContact O-N 3.09Å; V55-L176 HydrophobicContact CG1-CD1 4.17Å; V55-L176 HydrophobicContact CG1-CD2 3.67Å; V55-V285 HydrophobicContact CG1-CG1 4.28Å; V55-V285 HydrophobicContact CG2-CB 4.02Å; V55-V285 HydrophobicContact CG2-CG1 4.24Å; V55-V285 HydrophobicContact CG2-CG2 4.12Å; V55-I287 HydrophobicContact CG1-CD1 4.07Å; V55-I287 HydrophobicContact CG1-CG1 4Å; V55-W301 HydrophobicContact CB-CD2 4.33Å; V55-W301 HydrophobicContact CB-CG 4.25Å; V55-W301 HydrophobicContact CG1-CB 4.22Å; V55-W301 HydrophobicContact CG1-CG 4.4Å; V55-W301 HydrophobicContact CG2-CB 4.03Å; V55-W301 HydrophobicContact CG2-CD2 3.38Å; V55-W301 HydrophobicContact CG2-CE3 3.39Å; V55-W301 HydrophobicContact CG2-CG 3.67Å; V55-W301 HydrophobicContact CG2-CZ3 4.03Å |
| 56 | V | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | -179 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | I52 G53 F59 A60 L81 L84 V124 I152 T154 L176 | I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.37Å; I52-V56 VanDerWaalsContact O-N 3.1Å; G53-V56 PolarHBondContact O-N 3.28Å; V56-F59 WeakPolarHBondContact O-CB 3.17Å; V56-F59 PolarHBondContact O-N 3.18Å; V56-A60 WeakPolarHBondContact O-CB 3.35Å; V56-A60 PolarHBondContact O-N 2.77Å; V56-L81 HydrophobicContact CG2-CD2 4.38Å; V56-L84 HydrophobicContact CG1-CD1 4.23Å; V56-L84 HydrophobicContact CG1-CD2 3.84Å; V56-V124 HydrophobicContact CG1-CG1 4.12Å; V56-V124 HydrophobicContact CG1-CG2 3.89Å; V56-I152 HydrophobicContact CG1-CD1 4.08Å; V56-I152 HydrophobicContact CG1-CG2 4.47Å; V56-I152 HydrophobicContact CG2-CG2 4.29Å; V56-T154 HydrophobicContact CG2-CG2 3.82Å; V56-L176 HydrophobicContact CG2-CD1 4.02Å |
| 57 | A | 92.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G53 F59 A60 Q61 L84 M87 | G53-A57 WeakPolarHBondContact O-CB 3.34Å; G53-A57 PolarHBondContact O-N 2.96Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 3.36Å; A57-A60 PolarHBondContact O-N 3.08Å; A57-Q61 WeakPolarHBondContact O-CB 3.25Å; A57-Q61 PolarHBondContact O-N 3.2Å; A57-L84 HydrophobicContact CB-CB 4.5Å; A57-L84 HydrophobicContact CB-CD1 4.34Å; A57-M87 HydrophobicContact CB-CG 4.13Å; A57-M87 HydrophobicContact CB-SD 3.6Å |
| 58 | S | 91.5 | Very high | 90.7 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 177 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | S54 V55 K62 W301 | S54-S58 VanDerWaalsContact O-CB 3.32Å; S54-S58 WeakPolarHBondContact O-CB 3.29Å; S54-S58 PolarHBondContact O-N 3.32Å; S54-S58 PolarHBondContact O-OG 3.17Å; V55-S58 PolarHBondContact O-N 2.85Å; S58-K62 WeakPolarHBondContact O-CB 3.29Å; S58-K62 PolarHBondContact O-N 2.9Å; S58-W301 PolarHBondContact OG-NE1 2.77Å; S58-W301 VanDerWaalsContact OG-NE1 3.15Å |
| 59 | F | 92.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -51.3 | 173.6 | 177 | -86.8 | 0 | 0 | 0 | 111.7 | V55 V56 A57 Q61 K62 A63 W65 H150 I152 T174 I287 I307 Y313 | V55-F59 PolarHBondContact O-N 3.09Å; V56-F59 WeakPolarHBondContact O-CB 3.17Å; V56-F59 PolarHBondContact O-N 3.18Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 3.36Å; F59-Q61 VanDerWaalsContact C-N 3.3Å; F59-Q61 PolarHBondContact O-N 3.16Å; F59-K62 PolarHBondContact O-N 3.46Å; F59-K62 VanDerWaalsContact O-N 3.09Å; F59-A63 HydrophobicContact CD1-CB 4.43Å; F59-A63 HydrophobicContact CE1-CB 4.1Å; F59-A63 HydrophobicContact CZ-CB 4.5Å; F59-A63 WeakPolarHBondContact O-CB 3.47Å; F59-A63 PolarHBondContact O-N 3.26Å; F59-W65 HydrophobicContact CE1-CH2 4.26Å; F59-W65 AromaticContact CE1-CZ2 3.85Å; F59-W65 HydrophobicContact CE1-CZ2 3.85Å; F59-H150 AromaticContact CZ-CE1 3.77Å; F59-H150 AromaticContact CZ-NE2 3.76Å; F59-I152 HydrophobicContact CD1-CD1 3.32Å; F59-I152 HydrophobicContact CD1-CG1 4.45Å; F59-I152 HydrophobicContact CE1-CD1 3.46Å; F59-I152 VanDerWaalsContact CE1-CD1 3.46Å; F59-I152 HydrophobicContact CE1-CG1 4.22Å; F59-I152 HydrophobicContact CG-CD1 4.23Å; F59-I152 HydrophobicContact CZ-CD1 4.42Å; F59-T174 HydrophobicContact CE2-CG2 4.18Å; F59-T174 HydrophobicContact CZ-CG2 4.36Å; F59-I287 HydrophobicContact CB-CD1 4.37Å; F59-I287 HydrophobicContact CD2-CD1 4.31Å; F59-I287 HydrophobicContact CD2-CG2 3.83Å; F59-I287 HydrophobicContact CE2-CG2 4.05Å; F59-I307 HydrophobicContact CB-CD1 4.33Å; F59-I307 HydrophobicContact CD2-CD1 4.41Å; F59-Y313 HydrophobicContact CD2-CE1 4.22Å; F59-Y313 AromaticContact CD2-CZ 3.96Å; F59-Y313 WeakPolarHBondContact CD2-OH 3.48Å; F59-Y313 AromaticContact CE2-CE1 3.54Å; F59-Y313 HydrophobicContact CE2-CE1 3.54Å; F59-Y313 AromaticContact CE2-CZ 3.76Å; F59-Y313 HydrophobicContact CZ-CE1 4.34Å |
| 60 | A | 91 | Very high | 91 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V56 A57 A63 N64 W65 L84 M87 F96 | V56-A60 WeakPolarHBondContact O-CB 3.35Å; V56-A60 PolarHBondContact O-N 2.77Å; A57-A60 PolarHBondContact O-N 3.08Å; A60-A63 PolarHBondContact O-N 3.29Å; A60-N64 PolarHBondContact O-N 2.91Å; A60-N64 VanDerWaalsContact O-N 3.16Å; A60-W65 HydrophobicContact CB-CB 4.13Å; A60-W65 HydrophobicContact CB-CD2 4.2Å; A60-W65 HydrophobicContact CB-CE3 3.82Å; A60-W65 HydrophobicContact CB-CG 4.35Å; A60-W65 PolarHBondContact O-N 3.02Å; A60-L84 HydrophobicContact CB-CD1 4.28Å; A60-M87 HydrophobicContact CB-CE 4.34Å; A60-F96 HydrophobicContact CB-CZ 3.99Å |
| 61 | Q | 88.5 | Confident | 91.2 | Very high | 103 Ų | 103 | 31.2 Ų | 31.2 | 48% | 0.481 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 174.5 | -169.4 | -179.4 | 24.4 | 0 | 0 | 111.4 | A57 F59 A63 N64 N92 | A57-Q61 WeakPolarHBondContact O-CB 3.25Å; A57-Q61 PolarHBondContact O-N 3.2Å; F59-Q61 VanDerWaalsContact C-N 3.3Å; F59-Q61 PolarHBondContact O-N 3.16Å; Q61-A63 VanDerWaalsContact C-N 3.32Å; Q61-A63 PolarHBondContact O-N 3.43Å; Q61-N64 PolarHBondContact O-N 3.24Å; Q61-N64 VanDerWaalsContact O-N 3.15Å; Q61-N64 PolarHBondContact O-OD1 3.42Å; Q61-N92 PolarHBondContact NE2-ND2 2.81Å; Q61-N92 VanDerWaalsContact NE2-ND2 3.18Å; Q61-N92 PolarHBondContact NE2-OD1 3.39Å |
| 62 | K | 86.9 | Confident | 91.3 | Very high | 120 Ų | 120 | 31.4 Ų | 31.4 | 52% | 0.522 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.5 | -31.7 | 179.6 | -165 | 65.3 | 175.6 | -176.3 | 0 | 113.1 | S58 F59 N64 I307 V309 Y313 | S58-K62 WeakPolarHBondContact O-CB 3.29Å; S58-K62 PolarHBondContact O-N 2.9Å; F59-K62 PolarHBondContact O-N 3.46Å; F59-K62 VanDerWaalsContact O-N 3.09Å; K62-N64 PolarHBondContact O-N 2.99Å; K62-I307 HydrophobicContact CB-CD1 4.48Å; K62-I307 HydrophobicContact CB-CG2 4.05Å; K62-I307 HydrophobicContact CD-CG2 4.44Å; K62-I307 HydrophobicContact CG-CG2 4.2Å; K62-V309 HydrophobicContact CG-CG2 4.29Å; K62-Y313 HydrophobicContact CG-CD2 4.02Å; K62-Y313 HydrophobicContact CG-CE2 3.96Å |
| 63 | A | 86.1 | Confident | 91.3 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F59 A60 Q61 W65 | F59-A63 HydrophobicContact CD1-CB 4.43Å; F59-A63 HydrophobicContact CE1-CB 4.1Å; F59-A63 HydrophobicContact CZ-CB 4.5Å; F59-A63 WeakPolarHBondContact O-CB 3.47Å; F59-A63 PolarHBondContact O-N 3.26Å; A60-A63 PolarHBondContact O-N 3.29Å; Q61-A63 VanDerWaalsContact C-N 3.32Å; Q61-A63 PolarHBondContact O-N 3.43Å; A63-W65 VanDerWaalsContact C-N 3.28Å; A63-W65 HydrophobicContact CB-CG 4.26Å; A63-W65 PolarHBondContact O-N 3.38Å |
| 64 | N | 85.5 | Confident | 91.2 | Very high | 137 Ų | 137 | 37 Ų | 37 | 73% | 0.733 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 39.3 | -175.7 | -64.4 | -34.6 | 0 | 0 | 0 | 113.3 | A60 Q61 K62 K66 | A60-N64 PolarHBondContact O-N 2.91Å; A60-N64 VanDerWaalsContact O-N 3.16Å; Q61-N64 PolarHBondContact O-N 3.24Å; Q61-N64 VanDerWaalsContact O-N 3.15Å; Q61-N64 PolarHBondContact O-OD1 3.42Å; K62-N64 PolarHBondContact O-N 2.99Å; N64-K66 PolarHBondContact O-N 3.14Å |
| 65 | W | 88.1 | Confident | 91 | Very high | 21 Ų | 21 | 40 Ų | 40 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | trans | -69.3 | 124.9 | 174.6 | -71.1 | 7.1 | 0 | 0 | 0 | 110 | F59 A60 A63 A94 F96 N122 V124 H150 I152 | F59-W65 HydrophobicContact CE1-CH2 4.26Å; F59-W65 AromaticContact CE1-CZ2 3.85Å; F59-W65 HydrophobicContact CE1-CZ2 3.85Å; A60-W65 HydrophobicContact CB-CB 4.13Å; A60-W65 HydrophobicContact CB-CD2 4.2Å; A60-W65 HydrophobicContact CB-CE3 3.82Å; A60-W65 HydrophobicContact CB-CG 4.35Å; A60-W65 PolarHBondContact O-N 3.02Å; A63-W65 VanDerWaalsContact C-N 3.28Å; A63-W65 HydrophobicContact CB-CG 4.26Å; A63-W65 PolarHBondContact O-N 3.38Å; W65-A94 WeakPolarHBondContact O-CB 3.37Å; W65-F96 HydrophobicContact CB-CZ 4.44Å; W65-F96 AromaticContact CE3-CE1 4Å; W65-F96 HydrophobicContact CE3-CE1 4Å; W65-F96 AromaticContact CE3-CZ 3.92Å; W65-F96 HydrophobicContact CE3-CZ 3.92Å; W65-F96 HydrophobicContact CZ3-CE1 4.39Å; W65-N122 HydrophobicContact CD2-CB 3.71Å; W65-N122 HydrophobicContact CE3-CB 3.6Å; W65-N122 HydrophobicContact CG-CB 4.38Å; W65-N122 HydrophobicContact CH2-CB 3.77Å; W65-N122 HydrophobicContact CZ2-CB 3.94Å; W65-N122 HydrophobicContact CZ3-CB 3.64Å; W65-N122 PolarHBondContact NE1-OD1 3.06Å; W65-V124 HydrophobicContact CZ3-CG2 4.12Å; W65-H150 HydrophobicContact CH2-CB 4.43Å; W65-H150 HydrophobicContact CZ2-CB 3.85Å; W65-H150 AromaticContact CZ2-CD2 3.73Å; W65-H150 AromaticContact CZ2-CG 3.58Å; W65-H150 AromaticContact CZ2-ND1 3.95Å; W65-I152 HydrophobicContact CH2-CD1 3.33Å; W65-I152 HydrophobicContact CH2-CG1 3.7Å; W65-I152 HydrophobicContact CZ2-CD1 4.13Å; W65-I152 HydrophobicContact CZ3-CD1 3.57Å; W65-I152 HydrophobicContact CZ3-CG1 4.31Å | ||
| 66 | K | 85.5 | Confident | 90.7 | Very high | 129 Ų | 129 | 41.4 Ų | 41.4 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | trans | -97.2 | -21.2 | 177.3 | -69.5 | -65.2 | -167.9 | 170.3 | 0 | 113.1 | N64 E93 A94 M95 | N64-K66 PolarHBondContact O-N 3.14Å; K66-E93 IonicContact NZ-OE2 3.66Å; K66-E93 PolarHBondContact NZ-OE2 2.89Å; K66-A94 VanDerWaalsContact O-CA 3.25Å; K66-A94 WeakPolarHBondContact O-CA 3.44Å; K66-M95 PolarHBondContact O-N 2.9Å | ||
| 67 | S | 88.6 | Confident | 90.5 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 163.5 | 173.5 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | M95 E120 N122 | S67-M95 CarbonylContact C-O 3.45Å; S67-M95 WeakPolarHBondContact CA-O 3.4Å; S67-E120 VanDerWaalsContact C-OE2 3.29Å; S67-E120 VanDerWaalsContact CB-OE1 3.32Å; S67-E120 WeakPolarHBondContact CB-OE1 3.27Å; S67-E120 WeakPolarHBondContact CB-OE2 3.17Å; S67-E120 VanDerWaalsContact OG-CD 3.26Å; S67-E120 PolarHBondContact OG-OE1 3.21Å; S67-E120 PolarHBondContact OG-OE2 2.83Å; S67-N122 WeakPolarHBondContact O-CB 3.33Å; S67-N122 PolarHBondContact O-ND2 3.35Å |
| 68 | G | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | 174 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M95 F96 T97 E120 N122 | G68-M95 PolarHBondContact N-O 2.72Å; G68-F96 VanDerWaalsContact O-CA 3.29Å; G68-F96 WeakPolarHBondContact O-CA 3.48Å; G68-T97 PolarHBondContact O-N 3.19Å; G68-E120 VanDerWaalsContact CA-OE2 3.32Å; G68-E120 WeakPolarHBondContact CA-OE2 3.41Å; G68-E120 PolarHBondContact N-OE2 3.49Å; G68-E120 VanDerWaalsContact N-OE2 3.09Å; G68-N122 CarbonylContact C-O 3.53Å; G68-N122 WeakPolarHBondContact CA-O 3.34Å |
| 69 | V | 93.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.5 | -179.7 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | F71 T97 L114 E120 N122 I123 V124 | V69-F71 HydrophobicContact CG1-CD2 4.36Å; V69-F71 HydrophobicContact CG1-CE1 4.4Å; V69-F71 HydrophobicContact CG1-CE2 3.97Å; V69-F71 HydrophobicContact CG1-CZ 3.99Å; V69-T97 CarbonylContact C-O 3.53Å; V69-T97 WeakPolarHBondContact CA-O 3.43Å; V69-L114 HydrophobicContact CB-CD1 4.04Å; V69-L114 HydrophobicContact CG1-CD1 4.25Å; V69-L114 HydrophobicContact CG2-CD1 3.61Å; V69-E120 HydrophobicContact CG2-CB 3.71Å; V69-E120 HydrophobicContact CG2-CG 3.86Å; V69-N122 PolarHBondContact N-O 2.98Å; V69-I123 CarbonylContact O-C 3.53Å; V69-I123 WeakPolarHBondContact O-CA 3.34Å; V69-V124 PolarHBondContact O-N 3.48Å |
| 70 | I | 95 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.8 | 175.9 | -60.5 | 168.3 | 0 | 0 | 0 | 108.3 | L81 L84 L85 F96 T97 A98 H99 V124 | I70-L81 HydrophobicContact CD1-CD1 4.49Å; I70-L81 HydrophobicContact CG2-CD1 3.33Å; I70-L84 HydrophobicContact CD1-CD2 3.56Å; I70-L84 HydrophobicContact CD1-CG 4.13Å; I70-L84 HydrophobicContact CG1-CD2 3.93Å; I70-L85 HydrophobicContact CD1-CD2 3.57Å; I70-L85 HydrophobicContact CD1-CG 4.01Å; I70-F96 HydrophobicContact CD1-CB 3.79Å; I70-F96 HydrophobicContact CD1-CD1 4.41Å; I70-F96 HydrophobicContact CD1-CG 4.36Å; I70-F96 HydrophobicContact CG1-CB 4.23Å; I70-F96 HydrophobicContact CG1-CD1 4.19Å; I70-T97 PolarHBondContact N-O 3.18Å; I70-A98 HydrophobicContact CB-CB 4.38Å; I70-H99 PolarHBondContact O-N 3.15Å; I70-V124 CarbonylContact C-O 3.53Å; I70-V124 WeakPolarHBondContact CA-O 3.47Å; I70-V124 HydrophobicContact CG1-CB 4.14Å |
| 71 | F | 95.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.9 | 165.3 | -72.3 | -63.3 | 0 | 0 | 0 | 109.5 | V69 H99 L101 Q110 L111 L114 I123 V124 Q126 L135 | V69-F71 HydrophobicContact CG1-CD2 4.36Å; V69-F71 HydrophobicContact CG1-CE1 4.4Å; V69-F71 HydrophobicContact CG1-CE2 3.97Å; V69-F71 HydrophobicContact CG1-CZ 3.99Å; F71-H99 WeakPolarHBondContact CA-O 3.41Å; F71-H99 HydrophobicContact CD1-CB 4.01Å; F71-H99 HydrophobicContact CE1-CB 3.98Å; F71-L101 HydrophobicContact CB-CD1 4.23Å; F71-L101 HydrophobicContact CB-CD2 3.88Å; F71-L101 HydrophobicContact CB-CG 3.95Å; F71-L101 HydrophobicContact CD1-CD2 3.79Å; F71-L101 HydrophobicContact CD1-CG 4.41Å; F71-L101 HydrophobicContact CG-CD2 3.99Å; F71-Q110 HydrophobicContact CE1-CB 4.12Å; F71-L111 HydrophobicContact CE2-CD2 4.21Å; F71-L111 HydrophobicContact CZ-CD2 4.26Å; F71-L114 HydrophobicContact CE2-CD2 4.09Å; F71-L114 HydrophobicContact CZ-CD2 4.3Å; F71-I123 HydrophobicContact CD2-CG2 3.69Å; F71-I123 HydrophobicContact CE2-CG2 3.96Å; F71-V124 PolarHBondContact N-O 3.08Å; F71-Q126 PolarHBondContact O-N 2.95Å; F71-L135 HydrophobicContact CD2-CD2 4.42Å |
| 72 | F | 95.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141 | 179 | 67 | -87.5 | 0 | 0 | 0 | 111.5 | D74 L78 A98 H99 R100 L101 Q126 | F72-D74 WeakPolarHBondContact CD2-O 3.34Å; F72-L78 HydrophobicContact CD1-CD2 3.85Å; F72-L78 HydrophobicContact CD1-CG 4.39Å; F72-L78 HydrophobicContact CD2-CD2 4.35Å; F72-L78 HydrophobicContact CD2-CG 3.99Å; F72-L78 HydrophobicContact CE1-CD1 4.5Å; F72-L78 HydrophobicContact CE1-CD2 3.66Å; F72-L78 HydrophobicContact CE1-CG 4.19Å; F72-L78 HydrophobicContact CE2-CD1 3.84Å; F72-L78 HydrophobicContact CE2-CD2 4.17Å; F72-L78 HydrophobicContact CE2-CG 3.76Å; F72-L78 HydrophobicContact CG-CD2 4.19Å; F72-L78 HydrophobicContact CG-CG 4.28Å; F72-L78 HydrophobicContact CZ-CD1 3.8Å; F72-L78 HydrophobicContact CZ-CD2 3.82Å; F72-L78 HydrophobicContact CZ-CG 3.86Å; F72-A98 HydrophobicContact CD1-CB 4.12Å; F72-A98 HydrophobicContact CE1-CB 3.78Å; F72-H99 WeakPolarHBondContact CD1-O 3.11Å; F72-H99 VanDerWaalsContact CE1-C 3.4Å; F72-H99 PolarHBondContact N-O 3.06Å; F72-H99 VanDerWaalsContact N-O 3.12Å; F72-R100 HydrophobicContact CD2-CB 4.35Å; F72-R100 HydrophobicContact CD2-CG 4.24Å; F72-R100 HydrophobicContact CE1-CB 4.13Å; F72-R100 VanDerWaalsContact CE1-N 3.34Å; F72-R100 HydrophobicContact CE2-CB 3.69Å; F72-R100 HydrophobicContact CE2-CG 3.76Å; F72-R100 HydrophobicContact CZ-CB 3.56Å; F72-R100 HydrophobicContact CZ-CG 4.18Å; F72-R100 CarbonylContact O-C 3.53Å; F72-R100 WeakPolarHBondContact O-CA 3.39Å; F72-L101 PolarHBondContact O-N 3.19Å; F72-Q126 CarbonylContact C-O 3.56Å; F72-Q126 VanDerWaalsContact CA-O 3.3Å; F72-Q126 WeakPolarHBondContact CA-O 3.5Å; F72-Q126 HydrophobicContact CB-CB 4.34Å |
| 73 | Q | 94 | Very high | 90.8 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -77.2 | -44.8 | -176 | 179.5 | 170.9 | -19.6 | 0 | 0 | 113 | Q126 A127 D128 | Q73-Q126 PolarHBondContact N-O 2.86Å; Q73-A127 HydrophobicContact CB-CB 4.32Å; Q73-D128 PolarHBondContact NE2-OD2 3.28Å; Q73-D128 PolarHBondContact OE1-OD2 3.25Å |
| 74 | D | 90.2 | Very high | 91 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -145.7 | 173.5 | -177.8 | 63.2 | 47.8 | 0 | 0 | 0 | 111.4 | F72 S76 G77 | F72-D74 WeakPolarHBondContact CD2-O 3.34Å; D74-S76 PolarHBondContact O-N 3Å; D74-S76 WeakPolarHBondContact OD1-CA 3.28Å; D74-S76 WeakPolarHBondContact OD1-CB 3.38Å; D74-S76 PolarHBondContact OD1-N 3.15Å; D74-S76 PolarHBondContact OD1-OG 2.89Å; D74-G77 PolarHBondContact O-N 2.88Å |
| 75 | D | 90 | Very high | 91.2 | Very high | 96 Ų | 96 | 35.5 Ų | 35.5 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -19.9 | -173 | -52.9 | -26.8 | 0 | 0 | 0 | 112.7 | G77 L78 V79 R100 | D75-G77 PolarHBondContact O-N 3.28Å; D75-L78 PolarHBondContact O-N 3.21Å; D75-V79 PolarHBondContact O-N 3.5Å; D75-R100 IonicContact OD1-CZ 2.72Å; D75-R100 IonicContact OD1-NH1 3.58Å; D75-R100 PolarHBondContact OD1-NH1 2.85Å; D75-R100 IonicContact OD2-NH1 3.86Å |
| 76 | S | 88.7 | Confident | 91.2 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -28.2 | 173.9 | 83.1 | 0 | 0 | 0 | 0 | 112.1 | Y34 D74 L78 V79 Q80 | Y34-S76 WeakPolarHBondContact CE1-O 3.45Å; Y34-S76 PolarHBondContact OH-OG 3.44Å; D74-S76 PolarHBondContact O-N 3Å; D74-S76 WeakPolarHBondContact OD1-CA 3.28Å; D74-S76 WeakPolarHBondContact OD1-CB 3.38Å; D74-S76 PolarHBondContact OD1-N 3.15Å; D74-S76 PolarHBondContact OD1-OG 2.89Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.25Å; S76-V79 WeakPolarHBondContact O-CB 3.32Å; S76-V79 PolarHBondContact O-N 3.22Å; S76-Q80 PolarHBondContact O-N 3.37Å |
| 77 | G | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -35.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D74 D75 V79 Q80 L81 Q126 | D74-G77 PolarHBondContact O-N 2.88Å; D75-G77 PolarHBondContact O-N 3.28Å; G77-V79 VanDerWaalsContact C-N 3.33Å; G77-Q80 PolarHBondContact O-N 3.41Å; G77-L81 WeakPolarHBondContact O-CB 3.47Å; G77-L81 PolarHBondContact O-N 3.28Å; G77-Q126 VanDerWaalsContact CA-OE1 3.25Å |
| 78 | L | 91.1 | Very high | 90.4 | Very high | 59 Ų | 59 | 33.2 Ų | 33.2 | 31% | 0.309 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 174 | -67.7 | 175.1 | 0 | 0 | 0 | 111.5 | F72 D75 S76 L81 Q82 L85 A98 | F72-L78 HydrophobicContact CD1-CD2 3.85Å; F72-L78 HydrophobicContact CD1-CG 4.39Å; F72-L78 HydrophobicContact CD2-CD2 4.35Å; F72-L78 HydrophobicContact CD2-CG 3.99Å; F72-L78 HydrophobicContact CE1-CD1 4.5Å; F72-L78 HydrophobicContact CE1-CD2 3.66Å; F72-L78 HydrophobicContact CE1-CG 4.19Å; F72-L78 HydrophobicContact CE2-CD1 3.84Å; F72-L78 HydrophobicContact CE2-CD2 4.17Å; F72-L78 HydrophobicContact CE2-CG 3.76Å; F72-L78 HydrophobicContact CG-CD2 4.19Å; F72-L78 HydrophobicContact CG-CG 4.28Å; F72-L78 HydrophobicContact CZ-CD1 3.8Å; F72-L78 HydrophobicContact CZ-CD2 3.82Å; F72-L78 HydrophobicContact CZ-CG 3.86Å; D75-L78 PolarHBondContact O-N 3.21Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.25Å; L78-L81 PolarHBondContact O-N 3.14Å; L78-Q82 PolarHBondContact O-N 3.08Å; L78-Q82 VanDerWaalsContact O-N 3.07Å; L78-L85 HydrophobicContact CD2-CD1 4.03Å; L78-A98 HydrophobicContact CD2-CB 4.07Å |
| 79 | V | 91.4 | Very high | 89.3 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 111 | Y34 D75 S76 G77 | Y34-V79 HydrophobicContact CD1-CB 4.23Å; Y34-V79 HydrophobicContact CD1-CG1 4.1Å; Y34-V79 HydrophobicContact CE1-CB 4.46Å; D75-V79 PolarHBondContact O-N 3.5Å; S76-V79 WeakPolarHBondContact O-CB 3.32Å; S76-V79 PolarHBondContact O-N 3.22Å; G77-V79 VanDerWaalsContact C-N 3.33Å |
| 80 | Q | 92.6 | Very high | 87.8 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.9 | -71.2 | -168.9 | -27 | 0 | 0 | 112.3 | F32 Y34 P49 G53 S76 G77 | F32-Q80 VanDerWaalsContact CE2-NE2 3.26Å; Y34-Q80 HydrophobicContact CE1-CG 3.82Å; Y34-Q80 VanDerWaalsContact OH-CD 3.26Å; Y34-Q80 WeakPolarHBondContact OH-CG 3.34Å; Y34-Q80 PolarHBondContact OH-NE2 2.84Å; P49-Q80 HydrophobicContact CB-CG 4.01Å; P49-Q80 WeakPolarHBondContact O-CA 3.39Å; G53-Q80 WeakPolarHBondContact CA-O 3.42Å; G53-Q80 PolarHBondContact N-O 2.9Å; S76-Q80 PolarHBondContact O-N 3.37Å; G77-Q80 PolarHBondContact O-N 3.41Å |
| 81 | L | 92.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 14.3 | -172.9 | -68.6 | 178 | 0 | 0 | 0 | 114.3 | V56 I70 G77 L78 E83 L84 L85 V124 Q126 T154 | V56-L81 HydrophobicContact CG2-CD2 4.38Å; I70-L81 HydrophobicContact CD1-CD1 4.49Å; I70-L81 HydrophobicContact CG2-CD1 3.33Å; G77-L81 WeakPolarHBondContact O-CB 3.47Å; G77-L81 PolarHBondContact O-N 3.28Å; L78-L81 PolarHBondContact O-N 3.14Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.37Å; L81-L84 HydrophobicContact CD2-CD2 4.15Å; L81-L84 WeakPolarHBondContact O-CB 3.11Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-L84 VanDerWaalsContact O-N 3.1Å; L81-L85 PolarHBondContact O-N 3.13Å; L81-L85 VanDerWaalsContact O-N 3.07Å; L81-V124 HydrophobicContact CD1-CG1 3.97Å; L81-V124 HydrophobicContact CD2-CG1 4.24Å; L81-Q126 HydrophobicContact CD1-CB 3.97Å; L81-Q126 HydrophobicContact CD1-CG 4.5Å; L81-T154 HydrophobicContact CD2-CG2 4.1Å |
| 82 | Q | 91 | Very high | 84.4 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55 | -44 | -178.1 | -175.7 | 174.7 | 9.4 | 0 | 0 | 112.9 | R50 L78 L84 L85 N86 | R50-Q82 VanDerWaalsContact CZ-OE1 3.23Å; L78-Q82 PolarHBondContact O-N 3.08Å; L78-Q82 VanDerWaalsContact O-N 3.07Å; Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 2.96Å; Q82-L85 PolarHBondContact O-N 3.44Å; Q82-N86 WeakPolarHBondContact O-CB 3.24Å; Q82-N86 PolarHBondContact O-N 2.84Å; Q82-N86 PolarHBondContact O-ND2 3.01Å |
| 83 | E | 89.1 | Confident | 83.2 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.9 | -33.6 | 179.7 | -64.8 | -55.8 | 146.5 | 0 | 0 | 112.9 | L81 N86 | L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.37Å; E83-N86 PolarHBondContact O-N 3.47Å |
| 84 | L | 91.2 | Very high | 82.7 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 174.9 | 178.9 | 67.9 | 0 | 0 | 0 | 110.9 | V56 A57 A60 I70 L81 Q82 N86 M87 F96 V124 | V56-L84 HydrophobicContact CG1-CD1 4.23Å; V56-L84 HydrophobicContact CG1-CD2 3.84Å; A57-L84 HydrophobicContact CB-CB 4.5Å; A57-L84 HydrophobicContact CB-CD1 4.34Å; A60-L84 HydrophobicContact CB-CD1 4.28Å; I70-L84 HydrophobicContact CD1-CD2 3.56Å; I70-L84 HydrophobicContact CD1-CG 4.13Å; I70-L84 HydrophobicContact CG1-CD2 3.93Å; L81-L84 HydrophobicContact CD2-CD2 4.15Å; L81-L84 WeakPolarHBondContact O-CB 3.11Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-L84 VanDerWaalsContact O-N 3.1Å; Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 2.96Å; L84-N86 VanDerWaalsContact C-N 3.27Å; L84-N86 PolarHBondContact O-N 2.96Å; L84-M87 HydrophobicContact CD1-SD 4.04Å; L84-M87 WeakPolarHBondContact O-CG 3.47Å; L84-M87 PolarHBondContact O-N 3.31Å; L84-F96 HydrophobicContact CD1-CD1 4.37Å; L84-F96 HydrophobicContact CD1-CD2 3.9Å; L84-F96 HydrophobicContact CD1-CE1 4.14Å; L84-F96 HydrophobicContact CD1-CE2 3.66Å; L84-F96 HydrophobicContact CD1-CG 4.26Å; L84-F96 HydrophobicContact CD1-CZ 3.79Å; L84-F96 HydrophobicContact CD2-CD1 4.22Å; L84-F96 HydrophobicContact CD2-CE1 4.44Å; L84-F96 HydrophobicContact CD2-CG 4.44Å; L84-F96 HydrophobicContact CG-CD1 4.33Å; L84-F96 HydrophobicContact CG-CD2 4.13Å; L84-F96 HydrophobicContact CG-CE2 4.38Å; L84-F96 HydrophobicContact CG-CG 4.12Å; L84-V124 HydrophobicContact CD2-CB 4.4Å; L84-V124 HydrophobicContact CD2-CG1 4.28Å; L84-V124 HydrophobicContact CD2-CG2 3.97Å |
| 85 | L | 90.3 | Very high | 82.5 | Confident | 54 Ų | 54 | 60 Ų | 60 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.8 | -31.9 | 177.5 | -70.3 | 168.9 | 0 | 0 | 0 | 112.5 | I70 L78 L81 Q82 M87 A98 | I70-L85 HydrophobicContact CD1-CD2 3.57Å; I70-L85 HydrophobicContact CD1-CG 4.01Å; L78-L85 HydrophobicContact CD2-CD1 4.03Å; L81-L85 PolarHBondContact O-N 3.13Å; L81-L85 VanDerWaalsContact O-N 3.07Å; Q82-L85 PolarHBondContact O-N 3.44Å; L85-M87 VanDerWaalsContact C-N 3.29Å; L85-M87 PolarHBondContact O-N 2.97Å; L85-A98 HydrophobicContact CD2-CB 4.16Å |
| 86 | N | 87.9 | Confident | 82.5 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -80.3 | -2.3 | -179.8 | -74.8 | -18.4 | 0 | 0 | 0 | 114.4 | Q82 E83 L84 V88 N89 | Q82-N86 WeakPolarHBondContact O-CB 3.24Å; Q82-N86 PolarHBondContact O-N 2.84Å; Q82-N86 PolarHBondContact O-ND2 3.01Å; E83-N86 PolarHBondContact O-N 3.47Å; L84-N86 VanDerWaalsContact C-N 3.27Å; L84-N86 PolarHBondContact O-N 2.96Å; N86-V88 PolarHBondContact O-N 3.46Å; N86-N89 PolarHBondContact O-N 3.48Å; N86-N89 VanDerWaalsContact O-N 3.1Å |
| 87 | M | 81.2 | Confident | 82.6 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -58.6 | -32.9 | -176.1 | -73.5 | -164.5 | -1.4 | 0 | 0 | 113.7 | A57 A60 L84 L85 N89 N90 N92 A94 F96 | A57-M87 HydrophobicContact CB-CG 4.13Å; A57-M87 HydrophobicContact CB-SD 3.6Å; A60-M87 HydrophobicContact CB-CE 4.34Å; L84-M87 HydrophobicContact CD1-SD 4.04Å; L84-M87 WeakPolarHBondContact O-CG 3.47Å; L84-M87 PolarHBondContact O-N 3.31Å; L85-M87 VanDerWaalsContact C-N 3.29Å; L85-M87 PolarHBondContact O-N 2.97Å; M87-N89 PolarHBondContact O-N 3.37Å; M87-N90 PolarHBondContact O-N 2.99Å; M87-N92 CarbonylContact C-O 3.5Å; M87-N92 HydrophobicContact CB-CB 4.39Å; M87-A94 HydrophobicContact CE-CB 3.31Å; M87-F96 HydrophobicContact CE-CE2 3.74Å |
| 88 | V | 74.4 | Confident | 82.7 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -55.3 | -36.7 | 177.8 | 179 | 0 | 0 | 0 | 0 | 112.2 | N86 N92 A94 M95 | N86-V88 PolarHBondContact O-N 3.46Å; V88-N92 WeakPolarHBondContact CA-O 3.35Å; V88-A94 VanDerWaalsContact CG2-O 3.25Å; V88-A94 WeakPolarHBondContact CG2-O 3.06Å; V88-M95 HydrophobicContact CG2-CB 4.21Å; V88-M95 HydrophobicContact CG2-CG 4.4Å |
| 89 | N | 69 | Low | 82.8 | Confident | 124 Ų | 124 | 59.3 Ų | 59.3 | 66% | 0.663 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -82.2 | -20.8 | -177.4 | -65.9 | -20.4 | 0 | 0 | 0 | 112.6 | N86 M87 N91 | N86-N89 PolarHBondContact O-N 3.48Å; N86-N89 VanDerWaalsContact O-N 3.1Å; M87-N89 PolarHBondContact O-N 3.37Å; N89-N91 VanDerWaalsContact C-N 3.32Å; N89-N91 PolarHBondContact O-N 3.42Å |
| 90 | N | 61.9 | Low | 82.9 | Confident | 97 Ų | 97 | 62.7 Ų | 62.7 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 37.1 | -170.5 | -71.1 | -12.4 | 0 | 0 | 0 | 113 | M87 N92 | M87-N90 PolarHBondContact O-N 2.99Å; N90-N92 PolarHBondContact O-N 3.49Å; N90-N92 VanDerWaalsContact O-N 3.07Å |
| 91 | N | 61.3 | Low | 83 | Confident | 160 Ų | 160 | 62.9 Ų | 62.9 | 86% | 0.856 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -0.8 | -173.9 | -61 | -22.7 | 0 | 0 | 0 | 116.1 | N89 | N89-N91 VanDerWaalsContact C-N 3.32Å; N89-N91 PolarHBondContact O-N 3.42Å |
| 92 | N | 59.5 | Low | 82.9 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | trans | -90.3 | 114.4 | 172.9 | -72.8 | -26.7 | 0 | 0 | 0 | 108.1 | Q61 M87 V88 N90 A94 | Q61-N92 PolarHBondContact NE2-ND2 2.81Å; Q61-N92 VanDerWaalsContact NE2-ND2 3.18Å; Q61-N92 PolarHBondContact NE2-OD1 3.39Å; M87-N92 CarbonylContact C-O 3.5Å; M87-N92 HydrophobicContact CB-CB 4.39Å; V88-N92 WeakPolarHBondContact CA-O 3.35Å; N90-N92 PolarHBondContact O-N 3.49Å; N90-N92 VanDerWaalsContact O-N 3.07Å; N92-A94 PolarHBondContact O-N 3.49Å | ||
| 93 | E | 70.1 | Confident | 82.7 | Confident | 153 Ų | 153 | 67.7 Ų | 67.7 | 72% | 0.715 | 37% | 0.365 | S | S | * | . | trans | -64.9 | 15.3 | 176.4 | -58.5 | 172.8 | 149.4 | 0 | 0 | 114.3 | K66 | K66-E93 IonicContact NZ-OE2 3.66Å; K66-E93 PolarHBondContact NZ-OE2 2.89Å | ||
| 94 | A | 83.2 | Confident | 82.7 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | trans | -86.8 | 115.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | W65 K66 M87 V88 N92 F96 | W65-A94 WeakPolarHBondContact O-CB 3.37Å; K66-A94 VanDerWaalsContact O-CA 3.25Å; K66-A94 WeakPolarHBondContact O-CA 3.44Å; M87-A94 HydrophobicContact CE-CB 3.31Å; V88-A94 VanDerWaalsContact CG2-O 3.25Å; V88-A94 WeakPolarHBondContact CG2-O 3.06Å; N92-A94 PolarHBondContact O-N 3.49Å; A94-F96 HydrophobicContact CB-CE2 4.23Å | ||
| 95 | M | 86.4 | Confident | 82.7 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.4 | -175.3 | -175.6 | 179.8 | -72.5 | 0 | 0 | 112.1 | K66 S67 G68 V88 | K66-M95 PolarHBondContact O-N 2.9Å; S67-M95 CarbonylContact C-O 3.45Å; S67-M95 WeakPolarHBondContact CA-O 3.4Å; G68-M95 PolarHBondContact N-O 2.72Å; V88-M95 HydrophobicContact CG2-CB 4.21Å; V88-M95 HydrophobicContact CG2-CG 4.4Å |
| 96 | F | 90.2 | Very high | 82.7 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.5 | 174.6 | -70.9 | -93.8 | 0 | 0 | 0 | 111.5 | A60 W65 G68 I70 L84 M87 A94 V124 | A60-F96 HydrophobicContact CB-CZ 3.99Å; W65-F96 HydrophobicContact CB-CZ 4.44Å; W65-F96 AromaticContact CE3-CE1 4Å; W65-F96 HydrophobicContact CE3-CE1 4Å; W65-F96 AromaticContact CE3-CZ 3.92Å; W65-F96 HydrophobicContact CE3-CZ 3.92Å; W65-F96 HydrophobicContact CZ3-CE1 4.39Å; G68-F96 VanDerWaalsContact O-CA 3.29Å; G68-F96 WeakPolarHBondContact O-CA 3.48Å; I70-F96 HydrophobicContact CD1-CB 3.79Å; I70-F96 HydrophobicContact CD1-CD1 4.41Å; I70-F96 HydrophobicContact CD1-CG 4.36Å; I70-F96 HydrophobicContact CG1-CB 4.23Å; I70-F96 HydrophobicContact CG1-CD1 4.19Å; L84-F96 HydrophobicContact CD1-CD1 4.37Å; L84-F96 HydrophobicContact CD1-CD2 3.9Å; L84-F96 HydrophobicContact CD1-CE1 4.14Å; L84-F96 HydrophobicContact CD1-CE2 3.66Å; L84-F96 HydrophobicContact CD1-CG 4.26Å; L84-F96 HydrophobicContact CD1-CZ 3.79Å; L84-F96 HydrophobicContact CD2-CD1 4.22Å; L84-F96 HydrophobicContact CD2-CE1 4.44Å; L84-F96 HydrophobicContact CD2-CG 4.44Å; L84-F96 HydrophobicContact CG-CD1 4.33Å; L84-F96 HydrophobicContact CG-CD2 4.13Å; L84-F96 HydrophobicContact CG-CE2 4.38Å; L84-F96 HydrophobicContact CG-CG 4.12Å; M87-F96 HydrophobicContact CE-CE2 3.74Å; A94-F96 HydrophobicContact CB-CE2 4.23Å; F96-V124 HydrophobicContact CE1-CG2 4.49Å |
| 97 | T | 89.7 | Confident | 83 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 31% | 0.307 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.6 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 110.1 | G68 V69 I70 | G68-T97 PolarHBondContact O-N 3.19Å; V69-T97 CarbonylContact C-O 3.53Å; V69-T97 WeakPolarHBondContact CA-O 3.43Å; I70-T97 PolarHBondContact N-O 3.18Å |
| 98 | A | 92.3 | Very high | 83.5 | Confident | 43 Ų | 43 | 76.6 Ų | 76.6 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I70 F72 L78 L85 | I70-A98 HydrophobicContact CB-CB 4.38Å; F72-A98 HydrophobicContact CD1-CB 4.12Å; F72-A98 HydrophobicContact CE1-CB 3.78Å; L78-A98 HydrophobicContact CD2-CB 4.07Å; L85-A98 HydrophobicContact CD2-CB 4.16Å |
| 99 | H | 92.8 | Very high | 84.2 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122 | 178.4 | -64.5 | -94.3 | 0 | 0 | 0 | 109.8 | I70 F71 F72 L101 | I70-H99 PolarHBondContact O-N 3.15Å; F71-H99 WeakPolarHBondContact CA-O 3.41Å; F71-H99 HydrophobicContact CD1-CB 4.01Å; F71-H99 HydrophobicContact CE1-CB 3.98Å; F72-H99 WeakPolarHBondContact CD1-O 3.11Å; F72-H99 VanDerWaalsContact CE1-C 3.4Å; F72-H99 PolarHBondContact N-O 3.06Å; F72-H99 VanDerWaalsContact N-O 3.12Å; H99-L101 PolarHBondContact O-N 3.35Å |
| 100 | R | 94.6 | Very high | 85.2 | Confident | 131 Ų | 131 | 72.7 Ų | 72.7 | 49% | 0.494 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 129.7 | 174.8 | -170.4 | 173.1 | -178.3 | 155.7 | 0.9 | 109.6 | F72 D75 Q110 | F72-R100 HydrophobicContact CD2-CB 4.35Å; F72-R100 HydrophobicContact CD2-CG 4.24Å; F72-R100 HydrophobicContact CE1-CB 4.13Å; F72-R100 VanDerWaalsContact CE1-N 3.34Å; F72-R100 HydrophobicContact CE2-CB 3.69Å; F72-R100 HydrophobicContact CE2-CG 3.76Å; F72-R100 HydrophobicContact CZ-CB 3.56Å; F72-R100 HydrophobicContact CZ-CG 4.18Å; F72-R100 CarbonylContact O-C 3.53Å; F72-R100 WeakPolarHBondContact O-CA 3.39Å; D75-R100 IonicContact OD1-CZ 2.72Å; D75-R100 IonicContact OD1-NH1 3.58Å; D75-R100 PolarHBondContact OD1-NH1 2.85Å; D75-R100 IonicContact OD2-NH1 3.86Å; R100-Q110 PolarHBondContact O-NE2 2.65Å |
| 101 | L | 94.3 | Very high | 86.6 | Confident | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 140.1 | 174.3 | -73.2 | 169 | 0 | 0 | 0 | 110.6 | F71 F72 H99 A103 F107 A127 T131 L135 | F71-L101 HydrophobicContact CB-CD1 4.23Å; F71-L101 HydrophobicContact CB-CD2 3.88Å; F71-L101 HydrophobicContact CB-CG 3.95Å; F71-L101 HydrophobicContact CD1-CD2 3.79Å; F71-L101 HydrophobicContact CD1-CG 4.41Å; F71-L101 HydrophobicContact CG-CD2 3.99Å; F72-L101 PolarHBondContact O-N 3.19Å; H99-L101 PolarHBondContact O-N 3.35Å; L101-A103 PolarHBondContact O-N 3.01Å; L101-F107 HydrophobicContact CB-CD1 4.38Å; L101-F107 HydrophobicContact CB-CE1 3.91Å; L101-F107 HydrophobicContact CD2-CD1 3.71Å; L101-F107 HydrophobicContact CD2-CE1 3.93Å; L101-F107 HydrophobicContact CD2-CG 4.33Å; L101-F107 HydrophobicContact CG-CE1 4.41Å; L101-A127 HydrophobicContact CD1-CB 4.06Å; L101-T131 HydrophobicContact CD1-CG2 3.97Å; L101-L135 HydrophobicContact CD2-CD1 3.93Å; L101-L135 HydrophobicContact CD2-CD2 4.31Å |
| 102 | N | 90.6 | Very high | 87.8 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 128.2 | 179.8 | -76.9 | -22 | 0 | 0 | 0 | 111.5 | N104 K105 Q106 | N102-N104 WeakPolarHBondContact CB-OD1 3.42Å; N102-N104 PolarHBondContact O-N 3.05Å; N102-K105 PolarHBondContact O-N 3.09Å; N102-Q106 PolarHBondContact ND2-O 3.29Å |
| 103 | A | 87.3 | Confident | 89.1 | Confident | 105 Ų | 105 | 68 Ų | 68 | 87% | 0.868 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L101 K105 | L101-A103 PolarHBondContact O-N 3.01Å; A103-K105 PolarHBondContact O-N 3.01Å |
| 104 | N | 89.5 | Confident | 89.8 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 6.9 | 175 | 71 | -6.3 | 0 | 0 | 0 | 113.6 | N102 Q106 | N102-N104 WeakPolarHBondContact CB-OD1 3.42Å; N102-N104 PolarHBondContact O-N 3.05Å; N104-Q106 PolarHBondContact ND2-OE1 3.49Å; N104-Q106 PolarHBondContact O-N 3.27Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.42Å; N104-Q106 PolarHBondContact OD1-N 3.12Å; N104-Q106 VanDerWaalsContact OD1-N 3.1Å |
| 105 | K | 89.8 | Confident | 89.6 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 57.3 | 28.6 | -178.3 | -50.7 | -166.7 | -175.3 | -169.6 | 0 | 115.1 | N102 A103 F107 E130 L134 | N102-K105 PolarHBondContact O-N 3.09Å; A103-K105 PolarHBondContact O-N 3.01Å; K105-F107 VanDerWaalsContact CA-CZ 3.48Å; K105-F107 HydrophobicContact CB-CE2 4.29Å; K105-F107 HydrophobicContact CB-CZ 3.9Å; K105-F107 HydrophobicContact CG-CZ 4.36Å; K105-E130 IonicContact NZ-OE1 2.71Å; K105-E130 PolarHBondContact NZ-OE1 2.69Å; K105-E130 IonicContact NZ-OE2 3.35Å; K105-E130 PolarHBondContact NZ-OE2 2.93Å; K105-E130 VanDerWaalsContact NZ-OE2 3.11Å; K105-L134 HydrophobicContact CB-CD1 4.25Å; K105-L134 HydrophobicContact CD-CD1 3.52Å; K105-L134 HydrophobicContact CG-CD1 4.49Å |
| 106 | Q | 89.9 | Confident | 89.1 | Confident | 121 Ų | 121 | 64.8 Ų | 64.8 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | trans | -103 | 101 | 173 | -63.6 | -179.3 | -18.2 | 0 | 0 | 110.2 | N102 N104 | N102-Q106 PolarHBondContact ND2-O 3.29Å; N104-Q106 PolarHBondContact ND2-OE1 3.49Å; N104-Q106 PolarHBondContact O-N 3.27Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.42Å; N104-Q106 PolarHBondContact OD1-N 3.12Å; N104-Q106 VanDerWaalsContact OD1-N 3.1Å | ||
| 107 | F | 94.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | trans | -101.7 | -17.1 | -169.9 | -49.2 | -53.7 | 0 | 0 | 0 | 113.9 | L101 K105 P109 Q110 L111 T131 L134 L135 D138 | L101-F107 HydrophobicContact CB-CD1 4.38Å; L101-F107 HydrophobicContact CB-CE1 3.91Å; L101-F107 HydrophobicContact CD2-CD1 3.71Å; L101-F107 HydrophobicContact CD2-CE1 3.93Å; L101-F107 HydrophobicContact CD2-CG 4.33Å; L101-F107 HydrophobicContact CG-CE1 4.41Å; K105-F107 VanDerWaalsContact CA-CZ 3.48Å; K105-F107 HydrophobicContact CB-CE2 4.29Å; K105-F107 HydrophobicContact CB-CZ 3.9Å; K105-F107 HydrophobicContact CG-CZ 4.36Å; F107-P109 VanDerWaalsContact C-N 3.32Å; F107-P109 VanDerWaalsContact O-N 3.13Å; F107-Q110 WeakPolarHBondContact O-CB 3.29Å; F107-Q110 PolarHBondContact O-N 3.2Å; F107-L111 HydrophobicContact CB-CD1 4.42Å; F107-L111 PolarHBondContact O-N 3.23Å; F107-T131 HydrophobicContact CE2-CG2 4.37Å; F107-T131 HydrophobicContact CZ-CG2 3.75Å; F107-L134 HydrophobicContact CD2-CB 4.49Å; F107-L134 HydrophobicContact CE2-CB 3.86Å; F107-L135 HydrophobicContact CB-CD1 3.58Å; F107-L135 HydrophobicContact CD1-CD1 4.49Å; F107-L135 HydrophobicContact CD2-CB 3.91Å; F107-L135 HydrophobicContact CD2-CD1 3.95Å; F107-L135 HydrophobicContact CE2-CB 4.19Å; F107-L135 HydrophobicContact CG-CD1 3.75Å; F107-D138 WeakPolarHBondContact CA-OD2 3.11Å; F107-D138 HydrophobicContact CB-CB 4.34Å; F107-D138 WeakPolarHBondContact CB-OD2 3.33Å; F107-D138 PolarHBondContact N-OD2 3.21Å | ||
| 108 | K | 91.9 | Very high | 87.1 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 34% | 0.335 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -44.6 | -44.1 | 177.7 | -56.2 | -172.6 | -174 | -177.9 | 0 | 114.7 | Q110 L111 K112 D138 E141 M142 | K108-Q110 VanDerWaalsContact C-N 3.34Å; K108-Q110 PolarHBondContact O-N 2.98Å; K108-L111 PolarHBondContact O-N 2.96Å; K108-K112 VanDerWaalsContact O-CB 3.28Å; K108-K112 WeakPolarHBondContact O-CB 3.27Å; K108-K112 PolarHBondContact O-N 3.39Å; K108-D138 WeakPolarHBondContact CE-OD1 3.3Å; K108-D138 HydrophobicContact CG-CB 4.11Å; K108-D138 VanDerWaalsContact CG-CG 3.5Å; K108-D138 WeakPolarHBondContact CG-OD1 3.45Å; K108-D138 WeakPolarHBondContact CG-OD2 3.14Å; K108-D138 PolarHBondContact N-OD2 3.25Å; K108-D138 VanDerWaalsContact N-OD2 3.16Å; K108-D138 IonicContact NZ-OD1 2.68Å; K108-E141 WeakPolarHBondContact CE-OE2 3.43Å; K108-E141 IonicContact NZ-OE1 3.52Å; K108-E141 PolarHBondContact NZ-OE1 2.89Å; K108-E141 IonicContact NZ-OE2 3.89Å; K108-E141 PolarHBondContact NZ-OE2 3.01Å; K108-M142 HydrophobicContact CB-CG 4.36Å; K108-M142 HydrophobicContact CB-SD 4.14Å; K108-M142 HydrophobicContact CG-CG 4.39Å; K108-M142 HydrophobicContact CG-SD 4.45Å |
| 109 | P | 90.6 | Very high | 86 | Confident | 80 Ų | 80 | 74 Ų | 74 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 177.7 | -22.7 | 34.8 | 0 | 0 | 0 | 113.3 | F107 K112 H113 | F107-P109 VanDerWaalsContact C-N 3.32Å; F107-P109 VanDerWaalsContact O-N 3.13Å; P109-K112 PolarHBondContact O-N 2.9Å; P109-H113 PolarHBondContact O-N 3.39Å |
| 110 | Q | 89.7 | Confident | 85.6 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.1 | -41.4 | -179.8 | -52.8 | -173.5 | -89.7 | 0 | 0 | 110.9 | F71 R100 F107 K108 K112 H113 L114 | F71-Q110 HydrophobicContact CE1-CB 4.12Å; R100-Q110 PolarHBondContact O-NE2 2.65Å; F107-Q110 WeakPolarHBondContact O-CB 3.29Å; F107-Q110 PolarHBondContact O-N 3.2Å; K108-Q110 VanDerWaalsContact C-N 3.34Å; K108-Q110 PolarHBondContact O-N 2.98Å; Q110-K112 VanDerWaalsContact C-N 3.32Å; Q110-H113 PolarHBondContact O-N 2.82Å; Q110-L114 PolarHBondContact O-N 2.99Å |
| 111 | L | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 175 | -63.5 | 177.2 | 0 | 0 | 0 | 112.2 | F71 F107 K108 L114 K115 L135 D138 A139 M142 V144 | F71-L111 HydrophobicContact CE2-CD2 4.21Å; F71-L111 HydrophobicContact CZ-CD2 4.26Å; F107-L111 HydrophobicContact CB-CD1 4.42Å; F107-L111 PolarHBondContact O-N 3.23Å; K108-L111 PolarHBondContact O-N 2.96Å; L111-L114 HydrophobicContact CD2-CD2 4.43Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 3.47Å; L111-K115 WeakPolarHBondContact O-CB 3.24Å; L111-K115 PolarHBondContact O-N 2.83Å; L111-L135 HydrophobicContact CD1-CD1 4.19Å; L111-L135 HydrophobicContact CD2-CD1 3.96Å; L111-L135 HydrophobicContact CG-CD1 4.23Å; L111-D138 HydrophobicContact CD1-CB 3.72Å; L111-A139 HydrophobicContact CD1-CB 4.07Å; L111-M142 HydrophobicContact CB-CB 4.2Å; L111-M142 HydrophobicContact CB-CG 4.07Å; L111-M142 HydrophobicContact CD1-CG 4.36Å; L111-V144 HydrophobicContact CB-CG2 4.39Å; L111-V144 HydrophobicContact CD1-CG2 4.39Å; L111-V144 HydrophobicContact CD2-CG2 4.17Å |
| 112 | K | 87.1 | Confident | 85.2 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 50% | 0.496 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -47.9 | 171.3 | -171.3 | -179.1 | 175 | -173.5 | 0 | 110.7 | K108 P109 Q110 L114 K115 E116 M142 | K108-K112 VanDerWaalsContact O-CB 3.28Å; K108-K112 WeakPolarHBondContact O-CB 3.27Å; K108-K112 PolarHBondContact O-N 3.39Å; P109-K112 PolarHBondContact O-N 2.9Å; Q110-K112 VanDerWaalsContact C-N 3.32Å; K112-L114 VanDerWaalsContact C-N 3.32Å; K112-L114 PolarHBondContact O-N 3.48Å; K112-K115 WeakPolarHBondContact O-CB 3.36Å; K112-K115 PolarHBondContact O-N 3.22Å; K112-K115 VanDerWaalsContact O-N 3.14Å; K112-E116 VanDerWaalsContact CE-OE1 3.26Å; K112-E116 WeakPolarHBondContact CE-OE1 3.44Å; K112-E116 WeakPolarHBondContact O-CG 3.4Å; K112-E116 PolarHBondContact O-N 3.19Å; K112-M142 HydrophobicContact CB-CE 3.58Å; K112-M142 HydrophobicContact CG-CE 4.03Å |
| 113 | H | 85.4 | Confident | 85.4 | Confident | 88 Ų | 88 | 66.8 Ų | 66.8 | 41% | 0.407 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 176.2 | -175.7 | 59.4 | 0 | 0 | 0 | 112 | P109 Q110 K115 E116 L117 | P109-H113 PolarHBondContact O-N 3.39Å; Q110-H113 PolarHBondContact O-N 2.82Å; H113-K115 VanDerWaalsContact C-N 3.31Å; H113-K115 PolarHBondContact O-N 3.15Å; H113-E116 WeakPolarHBondContact O-CB 3.2Å; H113-E116 PolarHBondContact O-N 2.75Å; H113-E116 VanDerWaalsContact O-N 3.1Å; H113-L117 WeakPolarHBondContact O-CG 3.31Å; H113-L117 PolarHBondContact O-N 2.91Å |
| 114 | L | 84.9 | Confident | 85.8 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 173.4 | 179.5 | 68.7 | 0 | 0 | 0 | 112.2 | V69 F71 Q110 L111 K112 E116 L117 E120 I123 Y149 | V69-L114 HydrophobicContact CB-CD1 4.04Å; V69-L114 HydrophobicContact CG1-CD1 4.25Å; V69-L114 HydrophobicContact CG2-CD1 3.61Å; F71-L114 HydrophobicContact CE2-CD2 4.09Å; F71-L114 HydrophobicContact CZ-CD2 4.3Å; Q110-L114 PolarHBondContact O-N 2.99Å; L111-L114 HydrophobicContact CD2-CD2 4.43Å; L111-L114 WeakPolarHBondContact O-CB 3.47Å; L111-L114 PolarHBondContact O-N 3.47Å; K112-L114 VanDerWaalsContact C-N 3.32Å; K112-L114 PolarHBondContact O-N 3.48Å; L114-E116 VanDerWaalsContact C-N 3.28Å; L114-E116 PolarHBondContact O-N 3.43Å; L114-L117 PolarHBondContact O-N 3.04Å; L114-E120 HydrophobicContact CD1-CB 4.06Å; L114-I123 HydrophobicContact CD2-CD1 3.64Å; L114-I123 HydrophobicContact CD2-CG1 4.22Å; L114-Y149 HydrophobicContact CD2-CE1 4.46Å |
| 115 | K | 79.4 | Confident | 86.2 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -32.5 | 176.9 | -170.7 | 176 | -175 | 169.7 | 0 | 112.5 | L111 K112 H113 Q118 M142 V144 | L111-K115 WeakPolarHBondContact O-CB 3.24Å; L111-K115 PolarHBondContact O-N 2.83Å; K112-K115 WeakPolarHBondContact O-CB 3.36Å; K112-K115 PolarHBondContact O-N 3.22Å; K112-K115 VanDerWaalsContact O-N 3.14Å; H113-K115 VanDerWaalsContact C-N 3.31Å; H113-K115 PolarHBondContact O-N 3.15Å; K115-Q118 WeakPolarHBondContact O-CG 3.29Å; K115-M142 PolarHBondContact NZ-O 3.08Å; K115-V144 HydrophobicContact CB-CG1 4.1Å; K115-V144 HydrophobicContact CD-CG1 4.33Å; K115-V144 HydrophobicContact CG-CG1 4.4Å |
| 116 | E | 76.1 | Confident | 86.5 | Confident | 117 Ų | 117 | 54.7 Ų | 54.7 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74.4 | -30.6 | 177 | -72 | 168.2 | -179.5 | 0 | 0 | 112.9 | K112 H113 L114 Q118 | K112-E116 VanDerWaalsContact CE-OE1 3.26Å; K112-E116 WeakPolarHBondContact CE-OE1 3.44Å; K112-E116 WeakPolarHBondContact O-CG 3.4Å; K112-E116 PolarHBondContact O-N 3.19Å; H113-E116 WeakPolarHBondContact O-CB 3.2Å; H113-E116 PolarHBondContact O-N 2.75Å; H113-E116 VanDerWaalsContact O-N 3.1Å; L114-E116 VanDerWaalsContact C-N 3.28Å; L114-E116 PolarHBondContact O-N 3.43Å; E116-Q118 PolarHBondContact O-N 3.41Å |
| 117 | L | 73 | Confident | 86.7 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 38% | 0.382 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -25.4 | 175.2 | -71.8 | 168.1 | 0 | 0 | 0 | 112.6 | H113 L114 K119 | H113-L117 WeakPolarHBondContact O-CG 3.31Å; H113-L117 PolarHBondContact O-N 2.91Å; L114-L117 PolarHBondContact O-N 3.04Å; L117-K119 PolarHBondContact O-N 2.88Å |
| 118 | Q | 64.2 | Low | 86.6 | Confident | 65 Ų | 65 | 52 Ų | 52 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | trans | 49.3 | 13.8 | 173 | -66.4 | -168 | -27.1 | 0 | 0 | 117.2 | K115 E116 Y121 I400 R401 | K115-Q118 WeakPolarHBondContact O-CG 3.29Å; E116-Q118 PolarHBondContact O-N 3.41Å; Q118-Y121 PolarHBondContact O-OH 2.89Å; Q118-I400 PolarHBondContact OE1-O 3.37Å; Q118-R401 PolarHBondContact NE2-O 3.37Å | ||
| 119 | K | 70.7 | Confident | 86.5 | Confident | 166 Ų | 166 | 50.3 Ų | 50.3 | 72% | 0.722 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -128 | -14.1 | -178 | -68 | -178.1 | 179.8 | -178 | 0 | 113.6 | L117 | L117-K119 PolarHBondContact O-N 2.88Š|
| 120 | E | 82.5 | Confident | 86.6 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 15% | 0.15 | 24% | 0.243 | C | C | . | . | trans | -108.7 | 108.7 | -173.8 | -59.5 | -60.4 | 165.3 | 0 | 0 | 111.2 | S67 G68 V69 L114 | S67-E120 VanDerWaalsContact C-OE2 3.29Å; S67-E120 VanDerWaalsContact CB-OE1 3.32Å; S67-E120 WeakPolarHBondContact CB-OE1 3.27Å; S67-E120 WeakPolarHBondContact CB-OE2 3.17Å; S67-E120 VanDerWaalsContact OG-CD 3.26Å; S67-E120 PolarHBondContact OG-OE1 3.21Å; S67-E120 PolarHBondContact OG-OE2 2.83Å; G68-E120 VanDerWaalsContact CA-OE2 3.32Å; G68-E120 WeakPolarHBondContact CA-OE2 3.41Å; G68-E120 PolarHBondContact N-OE2 3.49Å; G68-E120 VanDerWaalsContact N-OE2 3.09Å; V69-E120 HydrophobicContact CG2-CB 3.71Å; V69-E120 HydrophobicContact CG2-CG 3.86Å; L114-E120 HydrophobicContact CD1-CB 4.06Å | ||
| 121 | Y | 87.7 | Confident | 86.8 | Confident | 45 Ų | 45 | 51 Ų | 51 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | trans | -114.6 | -11.3 | -179.8 | -58.5 | -72.6 | 0 | 0 | 0 | 113.7 | Q118 Y148 Y149 H150 | Q118-Y121 PolarHBondContact O-OH 2.89Å; Y121-Y148 VanDerWaalsContact CB-O 3.23Å; Y121-Y148 WeakPolarHBondContact CB-O 3.45Å; Y121-Y149 HydrophobicContact CD1-CD1 4.14Å; Y121-Y149 HydrophobicContact CD1-CD2 4.4Å; Y121-Y149 AromaticContact CD1-CE1 3.91Å; Y121-Y149 HydrophobicContact CD1-CE1 3.91Å; Y121-Y149 HydrophobicContact CD1-CE2 4.19Å; Y121-Y149 HydrophobicContact CD1-CG 4.39Å; Y121-Y149 AromaticContact CD1-CZ 3.95Å; Y121-Y149 HydrophobicContact CE1-CE2 4.49Å; Y121-Y149 CarbonylContact O-C 3.35Å; Y121-Y149 WeakPolarHBondContact O-CA 3.43Å; Y121-H150 PolarHBondContact O-N 3.27Å | ||
| 122 | N | 92.8 | Very high | 87 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 115.3 | 179.2 | -58.7 | -41.4 | 0 | 0 | 0 | 108.7 | W65 S67 G68 V69 | W65-N122 HydrophobicContact CD2-CB 3.71Å; W65-N122 HydrophobicContact CE3-CB 3.6Å; W65-N122 HydrophobicContact CG-CB 4.38Å; W65-N122 HydrophobicContact CH2-CB 3.77Å; W65-N122 HydrophobicContact CZ2-CB 3.94Å; W65-N122 HydrophobicContact CZ3-CB 3.64Å; W65-N122 PolarHBondContact NE1-OD1 3.06Å; S67-N122 WeakPolarHBondContact O-CB 3.33Å; S67-N122 PolarHBondContact O-ND2 3.35Å; G68-N122 CarbonylContact C-O 3.53Å; G68-N122 WeakPolarHBondContact CA-O 3.34Å; V69-N122 PolarHBondContact N-O 2.98Å |
| 123 | I | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.9 | -171.3 | -57.2 | 166 | 0 | 0 | 0 | 109.2 | V69 F71 L114 V125 Y149 H150 Y151 I152 | V69-I123 CarbonylContact O-C 3.53Å; V69-I123 WeakPolarHBondContact O-CA 3.34Å; F71-I123 HydrophobicContact CD2-CG2 3.69Å; F71-I123 HydrophobicContact CE2-CG2 3.96Å; L114-I123 HydrophobicContact CD2-CD1 3.64Å; L114-I123 HydrophobicContact CD2-CG1 4.22Å; I123-V125 HydrophobicContact CG2-CG2 3.92Å; I123-Y149 HydrophobicContact CD1-CD1 3.53Å; I123-Y149 HydrophobicContact CD1-CE1 4.04Å; I123-Y149 HydrophobicContact CD1-CG 4.5Å; I123-Y149 HydrophobicContact CG1-CD1 4.41Å; I123-H150 PolarHBondContact N-O 3.19Å; I123-Y151 HydrophobicContact CB-CD1 3.92Å; I123-Y151 HydrophobicContact CB-CE1 3.98Å; I123-Y151 HydrophobicContact CB-CG 4.34Å; I123-Y151 HydrophobicContact CD1-CD1 4.29Å; I123-Y151 HydrophobicContact CD1-CD2 4.39Å; I123-Y151 HydrophobicContact CD1-CE1 3.6Å; I123-Y151 HydrophobicContact CD1-CE2 3.7Å; I123-Y151 VanDerWaalsContact CD1-OH 3.31Å; I123-Y151 WeakPolarHBondContact CD1-OH 3.35Å; I123-Y151 HydrophobicContact CG1-CE1 4.41Å; I123-Y151 HydrophobicContact CG2-CD1 3.82Å; I123-Y151 HydrophobicContact CG2-CE1 3.72Å; I123-Y151 CarbonylContact O-C 3.6Å; I123-Y151 VanDerWaalsContact O-CA 3.31Å; I123-Y151 WeakPolarHBondContact O-CA 3.46Å; I123-I152 PolarHBondContact O-N 3.31Å |
| 124 | V | 96.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.4 | 173.9 | -179 | 0 | 0 | 0 | 0 | 108.1 | V56 W65 V69 I70 F71 L81 L84 F96 I152 T154 | V56-V124 HydrophobicContact CG1-CG1 4.12Å; V56-V124 HydrophobicContact CG1-CG2 3.89Å; W65-V124 HydrophobicContact CZ3-CG2 4.12Å; V69-V124 PolarHBondContact O-N 3.48Å; I70-V124 CarbonylContact C-O 3.53Å; I70-V124 WeakPolarHBondContact CA-O 3.47Å; I70-V124 HydrophobicContact CG1-CB 4.14Å; F71-V124 PolarHBondContact N-O 3.08Å; L81-V124 HydrophobicContact CD1-CG1 3.97Å; L81-V124 HydrophobicContact CD2-CG1 4.24Å; L84-V124 HydrophobicContact CD2-CB 4.4Å; L84-V124 HydrophobicContact CD2-CG1 4.28Å; L84-V124 HydrophobicContact CD2-CG2 3.97Å; F96-V124 HydrophobicContact CE1-CG2 4.49Å; V124-I152 WeakPolarHBondContact CA-O 3.47Å; V124-I152 HydrophobicContact CG2-CB 4.47Å; V124-T154 HydrophobicContact CG1-CG2 3.82Å |
| 125 | V | 96.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.3 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | I123 A127 L135 Y151 I152 F153 T154 | I123-V125 HydrophobicContact CG2-CG2 3.92Å; V125-A127 HydrophobicContact CG1-CB 4.16Å; V125-L135 HydrophobicContact CB-CD2 4.47Å; V125-L135 HydrophobicContact CG1-CD2 3.74Å; V125-L135 HydrophobicContact CG2-CD2 3.82Å; V125-Y151 HydrophobicContact CG2-CD1 4.07Å; V125-I152 PolarHBondContact N-O 3.27Å; V125-F153 HydrophobicContact CB-CD1 3.65Å; V125-F153 HydrophobicContact CB-CE1 3.75Å; V125-F153 HydrophobicContact CG1-CD1 4.03Å; V125-F153 HydrophobicContact CG1-CE1 4.03Å; V125-F153 HydrophobicContact CG2-CD1 4.22Å; V125-F153 HydrophobicContact CG2-CE1 3.83Å; V125-T154 PolarHBondContact O-N 2.82Å; V125-T154 PolarHBondContact O-OG1 3Å |
| 126 | Q | 95.8 | Very high | 89 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 102 | 170.4 | -163.7 | -75.1 | -22.5 | 0 | 0 | 108.2 | F71 F72 Q73 G77 L81 T154 | F71-Q126 PolarHBondContact O-N 2.95Å; F72-Q126 CarbonylContact C-O 3.56Å; F72-Q126 VanDerWaalsContact CA-O 3.3Å; F72-Q126 WeakPolarHBondContact CA-O 3.5Å; F72-Q126 HydrophobicContact CB-CB 4.34Å; Q73-Q126 PolarHBondContact N-O 2.86Å; G77-Q126 VanDerWaalsContact CA-OE1 3.25Å; L81-Q126 HydrophobicContact CD1-CB 3.97Å; L81-Q126 HydrophobicContact CD1-CG 4.5Å; Q126-T154 WeakPolarHBondContact CA-OG1 3.34Å; Q126-T154 WeakPolarHBondContact CB-OG1 3.24Å; Q126-T154 WeakPolarHBondContact CG-OG1 3.42Å |
| 127 | A | 94.7 | Very high | 89.8 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | trans | -158.7 | 163 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q73 L101 V125 T131 N155 | Q73-A127 HydrophobicContact CB-CB 4.32Å; L101-A127 HydrophobicContact CD1-CB 4.06Å; V125-A127 HydrophobicContact CG1-CB 4.16Å; A127-T131 HydrophobicContact CB-CG2 3.88Å; A127-N155 PolarHBondContact O-ND2 3.19Å | ||
| 128 | D | 92.5 | Very high | 90.9 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | trans | -65.6 | 166.2 | 164.8 | 67.7 | 47 | 0 | 0 | 0 | 111.9 | Q73 E130 T131 M132 | Q73-D128 PolarHBondContact NE2-OD2 3.28Å; Q73-D128 PolarHBondContact OE1-OD2 3.25Å; D128-E130 VanDerWaalsContact C-N 3.31Å; D128-E130 PolarHBondContact O-N 2.94Å; D128-E130 PolarHBondContact OD1-N 2.91Å; D128-T131 PolarHBondContact O-N 3.04Å; D128-T131 WeakPolarHBondContact OD1-CB 3.39Å; D128-T131 PolarHBondContact OD1-N 3.48Å; D128-T131 PolarHBondContact OD1-OG1 2.86Å; D128-T131 PolarHBondContact OD2-OG1 3.24Å; D128-M132 VanDerWaalsContact O-CB 3.24Å; D128-M132 WeakPolarHBondContact O-CB 3.34Å; D128-M132 PolarHBondContact O-N 2.81Å | ||
| 129 | M | 90.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 20% | 0.202 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -35.1 | -173.2 | -68.5 | -62.2 | -67.1 | 0 | 0 | 113.2 | M132 L133 N155 D157 V161 | M129-M132 HydrophobicContact CE-CE 3.63Å; M129-M132 HydrophobicContact SD-CE 3.87Å; M129-M132 HydrophobicContact SD-SD 4.44Å; M129-L133 WeakPolarHBondContact O-CG 3.43Å; M129-L133 PolarHBondContact O-N 2.9Å; M129-N155 HydrophobicContact SD-CB 4.39Å; M129-D157 HydrophobicContact SD-CB 4.34Å; M129-V161 HydrophobicContact CE-CB 3.82Å; M129-V161 HydrophobicContact CE-CG2 3.17Å |
| 130 | E | 91.6 | Very high | 93.1 | Very high | 119 Ų | 119 | 29.2 Ų | 29.2 | 56% | 0.556 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -70.8 | -48.3 | -179 | -170.5 | -163.8 | 150.7 | 0 | 0 | 110.3 | K105 D128 M132 L133 L134 | K105-E130 IonicContact NZ-OE1 2.71Å; K105-E130 PolarHBondContact NZ-OE1 2.69Å; K105-E130 IonicContact NZ-OE2 3.35Å; K105-E130 PolarHBondContact NZ-OE2 2.93Å; K105-E130 VanDerWaalsContact NZ-OE2 3.11Å; D128-E130 VanDerWaalsContact C-N 3.31Å; D128-E130 PolarHBondContact O-N 2.94Å; D128-E130 PolarHBondContact OD1-N 2.91Å; E130-M132 VanDerWaalsContact C-N 3.32Å; E130-M132 PolarHBondContact O-N 3.36Å; E130-L133 PolarHBondContact O-N 2.86Å; E130-L134 HydrophobicContact CG-CD1 4.36Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.34Å |
| 131 | T | 94.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | L101 F107 A127 D128 L134 L135 | L101-T131 HydrophobicContact CD1-CG2 3.97Å; F107-T131 HydrophobicContact CE2-CG2 4.37Å; F107-T131 HydrophobicContact CZ-CG2 3.75Å; A127-T131 HydrophobicContact CB-CG2 3.88Å; D128-T131 PolarHBondContact O-N 3.04Å; D128-T131 WeakPolarHBondContact OD1-CB 3.39Å; D128-T131 PolarHBondContact OD1-N 3.48Å; D128-T131 PolarHBondContact OD1-OG1 2.86Å; D128-T131 PolarHBondContact OD2-OG1 3.24Å; T131-L134 PolarHBondContact O-N 3.44Å; T131-L135 WeakPolarHBondContact O-CB 3.43Å; T131-L135 PolarHBondContact O-N 3.46Å |
| 132 | M | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 174.5 | -180 | -167.5 | 70.8 | 0 | 0 | 112.5 | D128 M129 E130 L135 L136 F153 A158 L163 | D128-M132 VanDerWaalsContact O-CB 3.24Å; D128-M132 WeakPolarHBondContact O-CB 3.34Å; D128-M132 PolarHBondContact O-N 2.81Å; M129-M132 HydrophobicContact CE-CE 3.63Å; M129-M132 HydrophobicContact SD-CE 3.87Å; M129-M132 HydrophobicContact SD-SD 4.44Å; E130-M132 VanDerWaalsContact C-N 3.32Å; E130-M132 PolarHBondContact O-N 3.36Å; M132-L135 PolarHBondContact O-N 3.43Å; M132-L136 WeakPolarHBondContact O-CG 3.22Å; M132-L136 PolarHBondContact O-N 3.45Å; M132-F153 HydrophobicContact CG-CD1 3.37Å; M132-F153 HydrophobicContact CG-CE1 3.38Å; M132-F153 HydrophobicContact CG-CG 4.26Å; M132-F153 HydrophobicContact CG-CZ 4.27Å; M132-F153 HydrophobicContact SD-CB 4.07Å; M132-F153 HydrophobicContact SD-CD1 3.38Å; M132-F153 WeakPolarHBondContact SD-CD1 3.23Å; M132-F153 HydrophobicContact SD-CD2 4.38Å; M132-F153 HydrophobicContact SD-CE1 3.89Å; M132-F153 HydrophobicContact SD-CG 3.67Å; M132-A158 HydrophobicContact SD-CB 4.04Å; M132-L163 HydrophobicContact CE-CD2 4.17Å |
| 133 | L | 93.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | -179.5 | -70.7 | 171.4 | 0 | 0 | 0 | 111.8 | M129 E130 L135 L136 D137 V161 L163 Y166 | M129-L133 WeakPolarHBondContact O-CG 3.43Å; M129-L133 PolarHBondContact O-N 2.9Å; E130-L133 PolarHBondContact O-N 2.86Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 PolarHBondContact O-N 2.91Å; L133-L136 WeakPolarHBondContact O-CB 3.44Å; L133-L136 PolarHBondContact O-N 3.49Å; L133-L136 VanDerWaalsContact O-N 3.08Å; L133-D137 PolarHBondContact O-N 3.44Å; L133-V161 HydrophobicContact CD1-CG1 4.33Å; L133-V161 HydrophobicContact CD2-CG1 4.03Å; L133-L163 HydrophobicContact CD2-CD2 3.78Å; L133-Y166 HydrophobicContact CD2-CE2 3.92Å |
| 134 | L | 94.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 33% | 0.33 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 174.6 | -70.5 | 169.1 | 0 | 0 | 0 | 112.3 | K105 F107 E130 T131 L136 D137 D138 | K105-L134 HydrophobicContact CB-CD1 4.25Å; K105-L134 HydrophobicContact CD-CD1 3.52Å; K105-L134 HydrophobicContact CG-CD1 4.49Å; F107-L134 HydrophobicContact CD2-CB 4.49Å; F107-L134 HydrophobicContact CE2-CB 3.86Å; E130-L134 HydrophobicContact CG-CD1 4.36Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.34Å; T131-L134 PolarHBondContact O-N 3.44Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-D137 PolarHBondContact O-N 3.37Å; L134-D138 PolarHBondContact O-N 3.02Å |
| 135 | L | 95.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 173.2 | -178.6 | 69.3 | 0 | 0 | 0 | 111.8 | F71 L101 F107 L111 V125 T131 M132 L133 A139 | F71-L135 HydrophobicContact CD2-CD2 4.42Å; L101-L135 HydrophobicContact CD2-CD1 3.93Å; L101-L135 HydrophobicContact CD2-CD2 4.31Å; F107-L135 HydrophobicContact CB-CD1 3.58Å; F107-L135 HydrophobicContact CD1-CD1 4.49Å; F107-L135 HydrophobicContact CD2-CB 3.91Å; F107-L135 HydrophobicContact CD2-CD1 3.95Å; F107-L135 HydrophobicContact CE2-CB 4.19Å; F107-L135 HydrophobicContact CG-CD1 3.75Å; L111-L135 HydrophobicContact CD1-CD1 4.19Å; L111-L135 HydrophobicContact CD2-CD1 3.96Å; L111-L135 HydrophobicContact CG-CD1 4.23Å; V125-L135 HydrophobicContact CB-CD2 4.47Å; V125-L135 HydrophobicContact CG1-CD2 3.74Å; V125-L135 HydrophobicContact CG2-CD2 3.82Å; T131-L135 WeakPolarHBondContact O-CB 3.43Å; T131-L135 PolarHBondContact O-N 3.46Å; M132-L135 PolarHBondContact O-N 3.43Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 PolarHBondContact O-N 2.91Å; L135-A139 WeakPolarHBondContact O-CB 3.14Å; L135-A139 PolarHBondContact O-N 3.26Å |
| 136 | L | 94.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 177.5 | -79.7 | 174.5 | 0 | 0 | 0 | 112.2 | M132 L133 L134 A139 V140 L145 F153 L163 Y166 | M132-L136 WeakPolarHBondContact O-CG 3.22Å; M132-L136 PolarHBondContact O-N 3.45Å; L133-L136 WeakPolarHBondContact O-CB 3.44Å; L133-L136 PolarHBondContact O-N 3.49Å; L133-L136 VanDerWaalsContact O-N 3.08Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L136-A139 WeakPolarHBondContact O-CB 3.48Å; L136-A139 PolarHBondContact O-N 3.3Å; L136-A139 VanDerWaalsContact O-N 3.15Å; L136-V140 WeakPolarHBondContact O-CG2 3.21Å; L136-V140 PolarHBondContact O-N 2.99Å; L136-L145 HydrophobicContact CD2-CD1 4.37Å; L136-L145 HydrophobicContact CD2-CD2 3.81Å; L136-F153 HydrophobicContact CD1-CE1 4.38Å; L136-F153 HydrophobicContact CD1-CE2 4.34Å; L136-F153 HydrophobicContact CD1-CZ 3.76Å; L136-F153 HydrophobicContact CD2-CZ 3.86Å; L136-F153 HydrophobicContact CG-CE1 4.48Å; L136-F153 HydrophobicContact CG-CZ 3.96Å; L136-L163 HydrophobicContact CD1-CD2 3.76Å; L136-Y166 HydrophobicContact CB-CD1 3.74Å; L136-Y166 HydrophobicContact CB-CD2 4.29Å; L136-Y166 HydrophobicContact CB-CE1 3.62Å; L136-Y166 HydrophobicContact CB-CE2 4.19Å; L136-Y166 HydrophobicContact CB-CG 4.07Å; L136-Y166 HydrophobicContact CD1-CD2 3.73Å; L136-Y166 HydrophobicContact CD1-CE2 3.98Å; L136-Y166 HydrophobicContact CD1-CG 4.03Å; L136-Y166 HydrophobicContact CD2-CG 4.35Å; L136-Y166 HydrophobicContact CG-CG 4.4Å |
| 137 | D | 93.9 | Very high | 90.5 | Very high | 70 Ų | 70 | 38 Ų | 38 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 174.3 | -67.6 | -21.4 | 0 | 0 | 0 | 111 | L133 L134 A139 V140 E141 Y166 | L133-D137 PolarHBondContact O-N 3.44Å; L134-D137 PolarHBondContact O-N 3.37Å; D137-A139 PolarHBondContact O-N 3.24Å; D137-V140 WeakPolarHBondContact O-CB 3.49Å; D137-V140 PolarHBondContact O-N 3.45Å; D137-E141 PolarHBondContact O-N 2.83Å; D137-Y166 VanDerWaalsContact OD1-CE1 3.27Å; D137-Y166 WeakPolarHBondContact OD1-CE1 3.21Å; D137-Y166 PolarHBondContact OD1-OH 3.4Å |
| 138 | D | 94.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -33.7 | 173.1 | -87 | -5.5 | 0 | 0 | 0 | 111.6 | F107 K108 L111 L134 E141 M142 | F107-D138 WeakPolarHBondContact CA-OD2 3.11Å; F107-D138 HydrophobicContact CB-CB 4.34Å; F107-D138 WeakPolarHBondContact CB-OD2 3.33Å; F107-D138 PolarHBondContact N-OD2 3.21Å; K108-D138 WeakPolarHBondContact CE-OD1 3.3Å; K108-D138 HydrophobicContact CG-CB 4.11Å; K108-D138 VanDerWaalsContact CG-CG 3.5Å; K108-D138 WeakPolarHBondContact CG-OD1 3.45Å; K108-D138 WeakPolarHBondContact CG-OD2 3.14Å; K108-D138 PolarHBondContact N-OD2 3.25Å; K108-D138 VanDerWaalsContact N-OD2 3.16Å; K108-D138 IonicContact NZ-OD1 2.68Å; L111-D138 HydrophobicContact CD1-CB 3.72Å; L134-D138 PolarHBondContact O-N 3.02Å; D138-E141 PolarHBondContact O-N 2.95Å; D138-M142 WeakPolarHBondContact O-CB 3.49Å; D138-M142 WeakPolarHBondContact O-CG 3Å; D138-M142 PolarHBondContact O-N 3.37Å |
| 139 | A | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.1 | -34.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L111 L135 L136 D137 N143 V144 L145 | L111-A139 HydrophobicContact CD1-CB 4.07Å; L135-A139 WeakPolarHBondContact O-CB 3.14Å; L135-A139 PolarHBondContact O-N 3.26Å; L136-A139 WeakPolarHBondContact O-CB 3.48Å; L136-A139 PolarHBondContact O-N 3.3Å; L136-A139 VanDerWaalsContact O-N 3.15Å; D137-A139 PolarHBondContact O-N 3.24Å; A139-N143 PolarHBondContact O-N 3.37Å; A139-V144 HydrophobicContact CB-CG2 3.61Å; A139-V144 WeakPolarHBondContact O-CG2 3.31Å; A139-V144 PolarHBondContact O-N 3.12Å; A139-L145 HydrophobicContact CB-CD1 4.28Å; A139-L145 HydrophobicContact CB-CD2 3.74Å; A139-L145 HydrophobicContact CB-CG 3.79Å |
| 140 | V | 89 | Confident | 89.8 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 30% | 0.303 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.2 | -54.3 | 169.2 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | L136 D137 M142 N143 L145 Y166 | L136-V140 WeakPolarHBondContact O-CG2 3.21Å; L136-V140 PolarHBondContact O-N 2.99Å; D137-V140 WeakPolarHBondContact O-CB 3.49Å; D137-V140 PolarHBondContact O-N 3.45Å; V140-M142 VanDerWaalsContact C-N 3.29Å; V140-M142 PolarHBondContact O-N 3.09Å; V140-N143 PolarHBondContact O-N 3.39Å; V140-L145 HydrophobicContact CB-CD1 4.35Å; V140-L145 HydrophobicContact CG2-CD1 3.44Å; V140-L145 VanDerWaalsContact CG2-CD1 3.44Å; V140-Y166 HydrophobicContact CG2-CD1 3.77Å; V140-Y166 HydrophobicContact CG2-CE1 4.12Å |
| 141 | E | 88.1 | Confident | 90.1 | Very high | 131 Ų | 131 | 30.7 Ų | 30.7 | 61% | 0.612 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -61.4 | -37.3 | -177.2 | -70.2 | -167.5 | -144 | 0 | 0 | 112.8 | K108 D137 D138 N143 | K108-E141 WeakPolarHBondContact CE-OE2 3.43Å; K108-E141 IonicContact NZ-OE1 3.52Å; K108-E141 PolarHBondContact NZ-OE1 2.89Å; K108-E141 IonicContact NZ-OE2 3.89Å; K108-E141 PolarHBondContact NZ-OE2 3.01Å; D137-E141 PolarHBondContact O-N 2.83Å; D138-E141 PolarHBondContact O-N 2.95Å; E141-N143 PolarHBondContact O-N 2.86Å |
| 142 | M | 88.2 | Confident | 90.2 | Very high | 38 Ų | 38 | 30.5 Ų | 30.5 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -3.6 | 179.6 | -67 | -58 | -59.4 | 0 | 0 | 113.6 | K108 L111 K112 K115 D138 V140 V144 | K108-M142 HydrophobicContact CB-CG 4.36Å; K108-M142 HydrophobicContact CB-SD 4.14Å; K108-M142 HydrophobicContact CG-CG 4.39Å; K108-M142 HydrophobicContact CG-SD 4.45Å; L111-M142 HydrophobicContact CB-CB 4.2Å; L111-M142 HydrophobicContact CB-CG 4.07Å; L111-M142 HydrophobicContact CD1-CG 4.36Å; K112-M142 HydrophobicContact CB-CE 3.58Å; K112-M142 HydrophobicContact CG-CE 4.03Å; K115-M142 PolarHBondContact NZ-O 3.08Å; D138-M142 WeakPolarHBondContact O-CB 3.49Å; D138-M142 WeakPolarHBondContact O-CG 3Å; D138-M142 PolarHBondContact O-N 3.37Å; V140-M142 VanDerWaalsContact C-N 3.29Å; V140-M142 PolarHBondContact O-N 3.09Å; M142-V144 HydrophobicContact CB-CG1 4.43Å; M142-V144 HydrophobicContact CB-CG2 4.22Å |
| 143 | N | 83.8 | Confident | 90.3 | Very high | 93 Ų | 93 | 30.5 Ų | 30.5 | 50% | 0.497 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 48.3 | -175.7 | -167.1 | 24 | 0 | 0 | 0 | 112.3 | A139 V140 E141 T146 | A139-N143 PolarHBondContact O-N 3.37Å; V140-N143 PolarHBondContact O-N 3.39Å; E141-N143 PolarHBondContact O-N 2.86Å; N143-T146 VanDerWaalsContact OD1-CG2 3.25Å; N143-T146 WeakPolarHBondContact OD1-CG2 3.45Å |
| 144 | V | 87.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -113.8 | 16.1 | 176 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | L111 K115 A139 M142 Y149 Y151 | L111-V144 HydrophobicContact CB-CG2 4.39Å; L111-V144 HydrophobicContact CD1-CG2 4.39Å; L111-V144 HydrophobicContact CD2-CG2 4.17Å; K115-V144 HydrophobicContact CB-CG1 4.1Å; K115-V144 HydrophobicContact CD-CG1 4.33Å; K115-V144 HydrophobicContact CG-CG1 4.4Å; A139-V144 HydrophobicContact CB-CG2 3.61Å; A139-V144 WeakPolarHBondContact O-CG2 3.31Å; A139-V144 PolarHBondContact O-N 3.12Å; M142-V144 HydrophobicContact CB-CG1 4.43Å; M142-V144 HydrophobicContact CB-CG2 4.22Å; V144-Y149 HydrophobicContact CB-CE1 4.34Å; V144-Y149 HydrophobicContact CB-CE2 4.13Å; V144-Y149 WeakPolarHBondContact O-CD2 3.41Å; V144-Y151 PolarHBondContact O-OH 3.38Å; V144-Y151 VanDerWaalsContact O-OH 3.1Å | ||
| 145 | L | 86.5 | Confident | 90.3 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | trans | -103.8 | 27.6 | 169.4 | -60.9 | -176.6 | 0 | 0 | 0 | 112.8 | L136 A139 V140 Y151 Y166 H169 C171 | L136-L145 HydrophobicContact CD2-CD1 4.37Å; L136-L145 HydrophobicContact CD2-CD2 3.81Å; A139-L145 HydrophobicContact CB-CD1 4.28Å; A139-L145 HydrophobicContact CB-CD2 3.74Å; A139-L145 HydrophobicContact CB-CG 3.79Å; V140-L145 HydrophobicContact CB-CD1 4.35Å; V140-L145 HydrophobicContact CG2-CD1 3.44Å; V140-L145 VanDerWaalsContact CG2-CD1 3.44Å; L145-Y151 HydrophobicContact CD2-CD2 4.13Å; L145-Y151 HydrophobicContact CD2-CE1 4.48Å; L145-Y151 HydrophobicContact CD2-CE2 3.46Å; L145-Y151 VanDerWaalsContact CD2-CE2 3.46Å; L145-Y166 HydrophobicContact CD1-CD1 3.98Å; L145-Y166 HydrophobicContact CD1-CG 4.46Å; L145-H169 HydrophobicContact CB-CB 3.81Å; L145-H169 CarbonylContact O-C 3.56Å; L145-H169 VanDerWaalsContact O-C 3.29Å; L145-H169 VanDerWaalsContact O-CB 3.31Å; L145-H169 WeakPolarHBondContact O-CB 3.43Å; L145-C171 HydrophobicContact CB-CB 4.42Å; L145-C171 WeakPolarHBondContact O-CB 3.33Å; L145-C171 PolarHBondContact O-N 3.27Å; L145-C171 VanDerWaalsContact O-N 3.13Å | ||
| 146 | T | 81.2 | Confident | 90.3 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 13% | 0.129 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -73.6 | 165.7 | -179.8 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | N143 Y148 Y149 C171 | N143-T146 VanDerWaalsContact OD1-CG2 3.25Å; N143-T146 WeakPolarHBondContact OD1-CG2 3.45Å; T146-Y148 PolarHBondContact O-N 3.47Å; T146-Y148 WeakPolarHBondContact OG1-CD2 3.49Å; T146-Y149 PolarHBondContact O-N 3.24Å; T146-Y149 WeakPolarHBondContact OG1-CD2 3.39Å; T146-Y149 WeakPolarHBondContact OG1-CE2 3.45Å; T146-C171 WeakPolarHBondContact O-CA 3.26Å |
| 147 | P | 77.9 | Confident | 90.2 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.9 | 177.6 | -31.8 | 38.5 | 0 | 0 | 0 | 117.1 | Y149 G170 E321 P665 | P147-Y149 VanDerWaalsContact C-N 3.28Å; P147-G170 WeakPolarHBondContact CA-O 3.47Å; P147-E321 WeakPolarHBondContact CB-OE2 3.47Å; P147-E321 WeakPolarHBondContact CG-OE2 3.46Å; P147-P665 HydrophobicContact CB-CG 3.68Å |
| 148 | Y | 81.2 | Confident | 90.1 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 11% | 0.114 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -28.3 | 176.7 | -61.7 | -89.2 | 0 | 0 | 0 | 111.6 | Y121 T146 R661 S664 | Y121-Y148 VanDerWaalsContact CB-O 3.23Å; Y121-Y148 WeakPolarHBondContact CB-O 3.45Å; T146-Y148 PolarHBondContact O-N 3.47Å; T146-Y148 WeakPolarHBondContact OG1-CD2 3.49Å; Y148-R661 HydrophobicContact CE1-CB 4.04Å; Y148-S664 VanDerWaalsContact CE1-CA 3.41Å; Y148-S664 WeakPolarHBondContact OH-CB 3.45Å; Y148-S664 PolarHBondContact OH-OG 3.1Å |
| 149 | Y | 89.5 | Confident | 89.9 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 6% | 0.063 | 13% | 0.125 | C | C | . | . | trans | -88.2 | 141.7 | -171.8 | -68.3 | -87.1 | 0 | 0 | 0 | 113.2 | L114 Y121 I123 V144 T146 P147 Y151 C171 N172 | L114-Y149 HydrophobicContact CD2-CE1 4.46Å; Y121-Y149 HydrophobicContact CD1-CD1 4.14Å; Y121-Y149 HydrophobicContact CD1-CD2 4.4Å; Y121-Y149 AromaticContact CD1-CE1 3.91Å; Y121-Y149 HydrophobicContact CD1-CE1 3.91Å; Y121-Y149 HydrophobicContact CD1-CE2 4.19Å; Y121-Y149 HydrophobicContact CD1-CG 4.39Å; Y121-Y149 AromaticContact CD1-CZ 3.95Å; Y121-Y149 HydrophobicContact CE1-CE2 4.49Å; Y121-Y149 CarbonylContact O-C 3.35Å; Y121-Y149 WeakPolarHBondContact O-CA 3.43Å; I123-Y149 HydrophobicContact CD1-CD1 3.53Å; I123-Y149 HydrophobicContact CD1-CE1 4.04Å; I123-Y149 HydrophobicContact CD1-CG 4.5Å; I123-Y149 HydrophobicContact CG1-CD1 4.41Å; V144-Y149 HydrophobicContact CB-CE1 4.34Å; V144-Y149 HydrophobicContact CB-CE2 4.13Å; V144-Y149 WeakPolarHBondContact O-CD2 3.41Å; T146-Y149 PolarHBondContact O-N 3.24Å; T146-Y149 WeakPolarHBondContact OG1-CD2 3.39Å; T146-Y149 WeakPolarHBondContact OG1-CE2 3.45Å; P147-Y149 VanDerWaalsContact C-N 3.28Å; Y149-Y151 HydrophobicContact CG-CE2 4.42Å; Y149-C171 WeakPolarHBondContact O-CA 3.33Å; Y149-C171 WeakPolarHBondContact O-CB 3.34Å; Y149-N172 PolarHBondContact O-N 2.98Å | ||
| 150 | H | 93.4 | Very high | 89.8 | Confident | 28 Ų | 28 | 25.9 Ų | 25.9 | 13% | 0.13 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116.8 | 172.9 | -165 | 137.4 | 0 | 0 | 0 | 109.5 | F59 W65 Y121 I123 N172 T174 | F59-H150 AromaticContact CZ-CE1 3.77Å; F59-H150 AromaticContact CZ-NE2 3.76Å; W65-H150 HydrophobicContact CH2-CB 4.43Å; W65-H150 HydrophobicContact CZ2-CB 3.85Å; W65-H150 AromaticContact CZ2-CD2 3.73Å; W65-H150 AromaticContact CZ2-CG 3.58Å; W65-H150 AromaticContact CZ2-ND1 3.95Å; Y121-H150 PolarHBondContact O-N 3.27Å; I123-H150 PolarHBondContact N-O 3.19Å; H150-N172 CarbonylContact C-O 3.55Å; H150-N172 WeakPolarHBondContact CA-O 3.43Å; H150-N172 HydrophobicContact CB-CB 4.22Å; H150-T174 PolarHBondContact NE2-OG1 3.39Å |
| 151 | Y | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.2 | 177.6 | -74.2 | -101.2 | 0 | 0 | 0 | 111.4 | I123 V125 V144 L145 Y149 F153 C171 N172 T174 | I123-Y151 HydrophobicContact CB-CD1 3.92Å; I123-Y151 HydrophobicContact CB-CE1 3.98Å; I123-Y151 HydrophobicContact CB-CG 4.34Å; I123-Y151 HydrophobicContact CD1-CD1 4.29Å; I123-Y151 HydrophobicContact CD1-CD2 4.39Å; I123-Y151 HydrophobicContact CD1-CE1 3.6Å; I123-Y151 HydrophobicContact CD1-CE2 3.7Å; I123-Y151 VanDerWaalsContact CD1-OH 3.31Å; I123-Y151 WeakPolarHBondContact CD1-OH 3.35Å; I123-Y151 HydrophobicContact CG1-CE1 4.41Å; I123-Y151 HydrophobicContact CG2-CD1 3.82Å; I123-Y151 HydrophobicContact CG2-CE1 3.72Å; I123-Y151 CarbonylContact O-C 3.6Å; I123-Y151 VanDerWaalsContact O-CA 3.31Å; I123-Y151 WeakPolarHBondContact O-CA 3.46Å; V125-Y151 HydrophobicContact CG2-CD1 4.07Å; V144-Y151 PolarHBondContact O-OH 3.38Å; V144-Y151 VanDerWaalsContact O-OH 3.1Å; L145-Y151 HydrophobicContact CD2-CD2 4.13Å; L145-Y151 HydrophobicContact CD2-CE1 4.48Å; L145-Y151 HydrophobicContact CD2-CE2 3.46Å; L145-Y151 VanDerWaalsContact CD2-CE2 3.46Å; Y149-Y151 HydrophobicContact CG-CE2 4.42Å; Y151-F153 HydrophobicContact CD1-CZ 4.12Å; Y151-F153 HydrophobicContact CG-CZ 4.38Å; Y151-C171 HydrophobicContact CD2-CB 4.29Å; Y151-N172 PolarHBondContact N-O 2.83Å; Y151-T174 PolarHBondContact O-N 3.46Å |
| 152 | I | 97 | Very high | 89.7 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.7 | 167.7 | -58.1 | 175.5 | 0 | 0 | 0 | 108.9 | V56 F59 W65 I123 V124 V125 T174 | V56-I152 HydrophobicContact CG1-CD1 4.08Å; V56-I152 HydrophobicContact CG1-CG2 4.47Å; V56-I152 HydrophobicContact CG2-CG2 4.29Å; F59-I152 HydrophobicContact CD1-CD1 3.32Å; F59-I152 HydrophobicContact CD1-CG1 4.45Å; F59-I152 HydrophobicContact CE1-CD1 3.46Å; F59-I152 VanDerWaalsContact CE1-CD1 3.46Å; F59-I152 HydrophobicContact CE1-CG1 4.22Å; F59-I152 HydrophobicContact CG-CD1 4.23Å; F59-I152 HydrophobicContact CZ-CD1 4.42Å; W65-I152 HydrophobicContact CH2-CD1 3.33Å; W65-I152 HydrophobicContact CH2-CG1 3.7Å; W65-I152 HydrophobicContact CZ2-CD1 4.13Å; W65-I152 HydrophobicContact CZ3-CD1 3.57Å; W65-I152 HydrophobicContact CZ3-CG1 4.31Å; I123-I152 PolarHBondContact O-N 3.31Å; V124-I152 WeakPolarHBondContact CA-O 3.47Å; V124-I152 HydrophobicContact CG2-CB 4.47Å; V125-I152 PolarHBondContact N-O 3.27Å; I152-T174 WeakPolarHBondContact CA-O 3.47Å; I152-T174 HydrophobicContact CG1-CG2 4.41Å |
| 153 | F | 96.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.9 | 173.6 | -61.1 | -74.1 | 0 | 0 | 0 | 110.3 | V125 M132 L136 Y151 N155 A158 L163 I173 T174 T175 L176 | V125-F153 HydrophobicContact CB-CD1 3.65Å; V125-F153 HydrophobicContact CB-CE1 3.75Å; V125-F153 HydrophobicContact CG1-CD1 4.03Å; V125-F153 HydrophobicContact CG1-CE1 4.03Å; V125-F153 HydrophobicContact CG2-CD1 4.22Å; V125-F153 HydrophobicContact CG2-CE1 3.83Å; M132-F153 HydrophobicContact CG-CD1 3.37Å; M132-F153 HydrophobicContact CG-CE1 3.38Å; M132-F153 HydrophobicContact CG-CG 4.26Å; M132-F153 HydrophobicContact CG-CZ 4.27Å; M132-F153 HydrophobicContact SD-CB 4.07Å; M132-F153 HydrophobicContact SD-CD1 3.38Å; M132-F153 WeakPolarHBondContact SD-CD1 3.23Å; M132-F153 HydrophobicContact SD-CD2 4.38Å; M132-F153 HydrophobicContact SD-CE1 3.89Å; M132-F153 HydrophobicContact SD-CG 3.67Å; L136-F153 HydrophobicContact CD1-CE1 4.38Å; L136-F153 HydrophobicContact CD1-CE2 4.34Å; L136-F153 HydrophobicContact CD1-CZ 3.76Å; L136-F153 HydrophobicContact CD2-CZ 3.86Å; L136-F153 HydrophobicContact CG-CE1 4.48Å; L136-F153 HydrophobicContact CG-CZ 3.96Å; Y151-F153 HydrophobicContact CD1-CZ 4.12Å; Y151-F153 HydrophobicContact CG-CZ 4.38Å; F153-N155 VanDerWaalsContact C-N 3.35Å; F153-A158 HydrophobicContact CB-CB 3.72Å; F153-A158 HydrophobicContact CG-CB 4.5Å; F153-L163 HydrophobicContact CD2-CD1 4.14Å; F153-L163 HydrophobicContact CE2-CD1 4.15Å; F153-I173 HydrophobicContact CD2-CG2 3.96Å; F153-I173 HydrophobicContact CE2-CG2 3.8Å; F153-T174 PolarHBondContact N-O 3.08Å; F153-T175 HydrophobicContact CB-CG2 4.34Å; F153-T175 HydrophobicContact CD2-CG2 4.23Å; F153-L176 PolarHBondContact O-N 2.77Å |
| 154 | T | 95.4 | Very high | 90 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | trans | -85.1 | -11.6 | -178.3 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | I52 V56 L81 V124 V125 Q126 L156 | I52-T154 HydrophobicContact CG2-CG2 4.12Å; V56-T154 HydrophobicContact CG2-CG2 3.82Å; L81-T154 HydrophobicContact CD2-CG2 4.1Å; V124-T154 HydrophobicContact CG1-CG2 3.82Å; V125-T154 PolarHBondContact O-N 2.82Å; V125-T154 PolarHBondContact O-OG1 3Å; Q126-T154 WeakPolarHBondContact CA-OG1 3.34Å; Q126-T154 WeakPolarHBondContact CB-OG1 3.24Å; Q126-T154 WeakPolarHBondContact CG-OG1 3.42Å; T154-L156 PolarHBondContact O-N 3.38Å | ||
| 155 | N | 94.1 | Very high | 90 | Very high | 37 Ų | 37 | 23.1 Ų | 23.1 | 20% | 0.198 | 13% | 0.127 | C | C | . | . | trans | -63.1 | 118.8 | 172.7 | -167.2 | -39 | 0 | 0 | 0 | 109.6 | A127 M129 F153 D157 A158 | A127-N155 PolarHBondContact O-ND2 3.19Å; M129-N155 HydrophobicContact SD-CB 4.39Å; F153-N155 VanDerWaalsContact C-N 3.35Å; N155-D157 PolarHBondContact O-N 3.47Å; N155-D157 PolarHBondContact OD1-N 3.25Å; N155-A158 HydrophobicContact CB-CB 4.45Å; N155-A158 VanDerWaalsContact O-CB 3.26Å; N155-A158 WeakPolarHBondContact O-CB 3.44Å; N155-A158 PolarHBondContact O-N 3.05Å | ||
| 156 | L | 94.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.1 | -176.9 | -65.3 | 179.4 | 0 | 0 | 0 | 113.2 | F32 Y46 P47 I52 T154 Y159 L176 L178 T214 | F32-L156 HydrophobicContact CE2-CD1 4.25Å; F32-L156 HydrophobicContact CZ-CD1 3.7Å; F32-L156 HydrophobicContact CZ-CG 4.18Å; Y46-L156 HydrophobicContact CD1-CD1 4.18Å; Y46-L156 HydrophobicContact CE1-CD1 3.94Å; P47-L156 HydrophobicContact CG-CD1 4.25Å; I52-L156 HydrophobicContact CD1-CD1 4.49Å; I52-L156 HydrophobicContact CD1-CD2 3.93Å; I52-L156 HydrophobicContact CD1-CG 4.41Å; T154-L156 PolarHBondContact O-N 3.38Å; L156-Y159 WeakPolarHBondContact O-CD1 3.42Å; L156-Y159 WeakPolarHBondContact O-CE1 3.31Å; L156-L176 HydrophobicContact CD2-CB 4.02Å; L156-L178 HydrophobicContact CD1-CB 4.09Å; L156-L178 HydrophobicContact CD1-CD2 4.21Å; L156-L178 HydrophobicContact CD2-CB 4.39Å; L156-T214 HydrophobicContact CB-CG2 4.18Å; L156-T214 HydrophobicContact CD1-CG2 4.25Å; L156-T214 PolarHBondContact O-OG1 3Å; L156-T214 VanDerWaalsContact O-OG1 3.11Å |
| 157 | D | 92.5 | Very high | 90.3 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 14% | 0.139 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 3.9 | 176.2 | -73.5 | -37.7 | 0 | 0 | 0 | 114 | M129 N155 Y159 T160 T214 | M129-D157 HydrophobicContact SD-CB 4.34Å; N155-D157 PolarHBondContact O-N 3.47Å; N155-D157 PolarHBondContact OD1-N 3.25Å; D157-Y159 PolarHBondContact O-N 3.04Å; D157-Y159 VanDerWaalsContact O-N 3.14Å; D157-T160 HydrophobicContact CB-CG2 4.38Å; D157-T160 WeakPolarHBondContact O-CB 3.47Å; D157-T160 WeakPolarHBondContact O-CG2 3.45Å; D157-T160 PolarHBondContact O-N 2.99Å; D157-T160 PolarHBondContact O-OG1 2.85Å; D157-T214 WeakPolarHBondContact OD1-CA 3.24Å; D157-T214 WeakPolarHBondContact OD1-CB 3.49Å; D157-T214 PolarHBondContact OD1-N 2.76Å; D157-T214 PolarHBondContact OD1-OG1 2.9Å |
| 158 | A | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -56.1 | -34.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M132 F153 N155 T160 V161 T175 Y295 | M132-A158 HydrophobicContact SD-CB 4.04Å; F153-A158 HydrophobicContact CB-CB 3.72Å; F153-A158 HydrophobicContact CG-CB 4.5Å; N155-A158 HydrophobicContact CB-CB 4.45Å; N155-A158 VanDerWaalsContact O-CB 3.26Å; N155-A158 WeakPolarHBondContact O-CB 3.44Å; N155-A158 PolarHBondContact O-N 3.05Å; A158-T160 PolarHBondContact O-N 3.42Å; A158-V161 PolarHBondContact O-N 3.38Å; A158-T175 HydrophobicContact CB-CG2 3.7Å; A158-Y295 PolarHBondContact O-OH 2.99Å |
| 159 | Y | 90.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -68.2 | -10.9 | 177.7 | 77.3 | -88.9 | 0 | 0 | 0 | 114.4 | L156 D157 V161 R177 V179 A211 V212 Y295 | L156-Y159 WeakPolarHBondContact O-CD1 3.42Å; L156-Y159 WeakPolarHBondContact O-CE1 3.31Å; D157-Y159 PolarHBondContact O-N 3.04Å; D157-Y159 VanDerWaalsContact O-N 3.14Å; Y159-V161 VanDerWaalsContact C-N 3.35Å; Y159-R177 HydrophobicContact CD1-CB 3.87Å; Y159-R177 HydrophobicContact CD1-CG 3.81Å; Y159-R177 HydrophobicContact CE1-CB 4.07Å; Y159-R177 HydrophobicContact CE1-CG 3.56Å; Y159-R177 HydrophobicContact CE2-CG 4.31Å; Y159-R177 HydrophobicContact CG-CB 4.41Å; Y159-R177 HydrophobicContact CG-CG 4.28Å; Y159-V179 VanDerWaalsContact OH-CB 3.31Å; Y159-V179 WeakPolarHBondContact OH-CB 3.26Å; Y159-V179 WeakPolarHBondContact OH-CG2 3.3Å; Y159-A211 HydrophobicContact CD2-CB 4.13Å; Y159-A211 HydrophobicContact CE2-CB 3.79Å; Y159-V212 PolarHBondContact OH-O 3.22Å; Y159-Y295 WeakPolarHBondContact O-CD2 3.31Å; Y159-Y295 WeakPolarHBondContact O-CE2 3.44Å |
| 160 | T | 89.1 | Confident | 89.7 | Confident | 29 Ų | 29 | 32.1 Ų | 32.1 | 18% | 0.178 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -83.8 | -13.9 | -179 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | D157 A158 A211 | D157-T160 HydrophobicContact CB-CG2 4.38Å; D157-T160 WeakPolarHBondContact O-CB 3.47Å; D157-T160 WeakPolarHBondContact O-CG2 3.45Å; D157-T160 PolarHBondContact O-N 2.99Å; D157-T160 PolarHBondContact O-OG1 2.85Å; A158-T160 PolarHBondContact O-N 3.42Å; T160-A211 HydrophobicContact CG2-CB 4.18Å |
| 161 | V | 88.1 | Confident | 89.4 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -103.3 | 147.1 | 178.9 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | M129 L133 A158 Y159 L163 Y295 | M129-V161 HydrophobicContact CE-CB 3.82Å; M129-V161 HydrophobicContact CE-CG2 3.17Å; L133-V161 HydrophobicContact CD1-CG1 4.33Å; L133-V161 HydrophobicContact CD2-CG1 4.03Å; A158-V161 PolarHBondContact O-N 3.38Å; Y159-V161 VanDerWaalsContact C-N 3.35Å; V161-L163 HydrophobicContact CG1-CD2 4.2Å; V161-L163 PolarHBondContact O-N 3.23Å; V161-Y295 WeakPolarHBondContact O-CE2 3.45Å; V161-Y295 PolarHBondContact O-OH 3.26Å |
| 162 | D | 87.4 | Confident | 89.1 | Confident | 106 Ų | 106 | 33.6 Ų | 33.6 | 57% | 0.567 | 18% | 0.177 | S | C | * | . | trans | -76.7 | 102.7 | 173.9 | -175.5 | 13.2 | 0 | 0 | 0 | 110.3 | M164 | D162-M164 WeakPolarHBondContact OD1-CB 3.3Å; D162-M164 WeakPolarHBondContact OD1-CG 3.24Å; D162-M164 PolarHBondContact OD1-N 2.96Å | ||
| 163 | L | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -96.7 | 8.7 | 175.6 | -57.4 | 176.2 | 0 | 0 | 0 | 112.2 | M132 L133 L136 F153 V161 P165 Y166 R167 I173 T175 L290 Y295 | M132-L163 HydrophobicContact CE-CD2 4.17Å; L133-L163 HydrophobicContact CD2-CD2 3.78Å; L136-L163 HydrophobicContact CD1-CD2 3.76Å; F153-L163 HydrophobicContact CD2-CD1 4.14Å; F153-L163 HydrophobicContact CE2-CD1 4.15Å; V161-L163 HydrophobicContact CG1-CD2 4.2Å; V161-L163 PolarHBondContact O-N 3.23Å; L163-P165 VanDerWaalsContact C-CD 3.44Å; L163-Y166 HydrophobicContact CB-CD2 4.26Å; L163-Y166 HydrophobicContact CD2-CD2 3.89Å; L163-Y166 HydrophobicContact CD2-CE2 4.01Å; L163-Y166 PolarHBondContact O-N 3.48Å; L163-R167 PolarHBondContact O-N 3.17Å; L163-R167 VanDerWaalsContact O-N 3.1Å; L163-I173 HydrophobicContact CB-CD1 4.24Å; L163-I173 HydrophobicContact CD1-CG2 4.04Å; L163-T175 HydrophobicContact CD1-CG2 4.34Å; L163-L290 VanDerWaalsContact C-CD2 3.46Å; L163-L290 HydrophobicContact CB-CD2 3.74Å; L163-Y295 WeakPolarHBondContact CD1-OH 3.32Å; L163-Y295 VanDerWaalsContact CG-OH 3.27Å; L163-Y295 WeakPolarHBondContact CG-OH 3.44Å | ||
| 164 | M | 86.9 | Confident | 89 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 17% | 0.167 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.3 | -40.6 | 177.4 | -78 | -59.1 | -61.3 | 0 | 0 | 114.1 | D162 Y166 R167 L168 L290 L292 | D162-M164 WeakPolarHBondContact OD1-CB 3.3Å; D162-M164 WeakPolarHBondContact OD1-CG 3.24Å; D162-M164 PolarHBondContact OD1-N 2.96Å; M164-Y166 PolarHBondContact O-N 3.17Å; M164-R167 PolarHBondContact O-N 2.73Å; M164-L168 HydrophobicContact CE-CD2 4.34Å; M164-L168 HydrophobicContact CE-CG 4.4Å; M164-L168 VanDerWaalsContact O-CG 3.28Å; M164-L168 WeakPolarHBondContact O-CG 3.27Å; M164-L168 PolarHBondContact O-N 3.32Å; M164-L290 HydrophobicContact CG-CD1 4.12Å; M164-L290 HydrophobicContact CG-CD2 4.45Å; M164-L290 HydrophobicContact SD-CD1 3.71Å; M164-L290 HydrophobicContact SD-CD2 3.99Å; M164-L290 HydrophobicContact SD-CG 3.78Å; M164-L292 HydrophobicContact CE-CD2 4.03Å |
| 165 | P | 87.7 | Confident | 89 | Confident | 69 Ų | 69 | 33.5 Ų | 33.5 | 45% | 0.448 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -53.4 | -38.3 | 176.7 | -28 | 36.6 | 0 | 0 | 0 | 112.7 | L163 H169 | L163-P165 VanDerWaalsContact C-CD 3.44Å; P165-H169 PolarHBondContact O-CD2 2.87Å; P165-H169 VanDerWaalsContact O-CD2 3.28Å |
| 166 | Y | 89.7 | Confident | 89 | Confident | 28 Ų | 28 | 31.9 Ų | 31.9 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.1 | -44.2 | 178.3 | -52.9 | -68.6 | 0 | 0 | 0 | 112.3 | L133 L136 D137 V140 L145 L163 M164 L168 H169 | L133-Y166 HydrophobicContact CD2-CE2 3.92Å; L136-Y166 HydrophobicContact CB-CD1 3.74Å; L136-Y166 HydrophobicContact CB-CD2 4.29Å; L136-Y166 HydrophobicContact CB-CE1 3.62Å; L136-Y166 HydrophobicContact CB-CE2 4.19Å; L136-Y166 HydrophobicContact CB-CG 4.07Å; L136-Y166 HydrophobicContact CD1-CD2 3.73Å; L136-Y166 HydrophobicContact CD1-CE2 3.98Å; L136-Y166 HydrophobicContact CD1-CG 4.03Å; L136-Y166 HydrophobicContact CD2-CG 4.35Å; L136-Y166 HydrophobicContact CG-CG 4.4Å; D137-Y166 VanDerWaalsContact OD1-CE1 3.27Å; D137-Y166 WeakPolarHBondContact OD1-CE1 3.21Å; D137-Y166 PolarHBondContact OD1-OH 3.4Å; V140-Y166 HydrophobicContact CG2-CD1 3.77Å; V140-Y166 HydrophobicContact CG2-CE1 4.12Å; L145-Y166 HydrophobicContact CD1-CD1 3.98Å; L145-Y166 HydrophobicContact CD1-CG 4.46Å; L163-Y166 HydrophobicContact CB-CD2 4.26Å; L163-Y166 HydrophobicContact CD2-CD2 3.89Å; L163-Y166 HydrophobicContact CD2-CE2 4.01Å; L163-Y166 PolarHBondContact O-N 3.48Å; M164-Y166 PolarHBondContact O-N 3.17Å; Y166-L168 PolarHBondContact O-N 3.41Å; Y166-H169 WeakPolarHBondContact O-CB 3.1Å; Y166-H169 PolarHBondContact O-CD2 2.96Å; Y166-H169 PolarHBondContact O-N 3.37Å; Y166-H169 VanDerWaalsContact O-N 3.13Å |
| 167 | R | 84.4 | Confident | 89 | Confident | 48 Ų | 48 | 33 Ų | 33 | 18% | 0.181 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.2 | -32.5 | 176.1 | 173.9 | 178.7 | 158 | 103.4 | 8.6 | 112.4 | L163 M164 H169 G170 I173 L290 | L163-R167 PolarHBondContact O-N 3.17Å; L163-R167 VanDerWaalsContact O-N 3.1Å; M164-R167 PolarHBondContact O-N 2.73Å; R167-H169 PolarHBondContact O-N 2.91Å; R167-H169 VanDerWaalsContact O-N 3.12Å; R167-G170 WeakPolarHBondContact O-CA 3.28Å; R167-G170 PolarHBondContact O-N 3.37Å; R167-I173 HydrophobicContact CB-CD1 4.1Å; R167-L290 HydrophobicContact CB-CD2 3.87Å; R167-L290 WeakPolarHBondContact CD-O 2.89Å; R167-L290 PolarHBondContact NE-O 3.09Å; R167-L290 PolarHBondContact NH1-O 3.28Å |
| 168 | L | 80.9 | Confident | 89.2 | Confident | 115 Ų | 115 | 31.9 Ų | 31.9 | 60% | 0.602 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.8 | 179.7 | -73.4 | 170.1 | 0 | 0 | 0 | 113.5 | M164 Y166 G170 | M164-L168 HydrophobicContact CE-CD2 4.34Å; M164-L168 HydrophobicContact CE-CG 4.4Å; M164-L168 VanDerWaalsContact O-CG 3.28Å; M164-L168 WeakPolarHBondContact O-CG 3.27Å; M164-L168 PolarHBondContact O-N 3.32Å; Y166-L168 PolarHBondContact O-N 3.41Å; L168-G170 PolarHBondContact O-N 2.92Å |
| 169 | H | 79.1 | Confident | 89.2 | Confident | 86 Ų | 86 | 32 Ų | 32 | 40% | 0.398 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -16.5 | 169.4 | -68 | -86.4 | 0 | 0 | 0 | 113.5 | L145 P165 Y166 R167 | L145-H169 HydrophobicContact CB-CB 3.81Å; L145-H169 CarbonylContact O-C 3.56Å; L145-H169 VanDerWaalsContact O-C 3.29Å; L145-H169 VanDerWaalsContact O-CB 3.31Å; L145-H169 WeakPolarHBondContact O-CB 3.43Å; P165-H169 PolarHBondContact O-CD2 2.87Å; P165-H169 VanDerWaalsContact O-CD2 3.28Å; Y166-H169 WeakPolarHBondContact O-CB 3.1Å; Y166-H169 PolarHBondContact O-CD2 2.96Å; Y166-H169 PolarHBondContact O-N 3.37Å; Y166-H169 VanDerWaalsContact O-N 3.13Å; R167-H169 PolarHBondContact O-N 2.91Å; R167-H169 VanDerWaalsContact O-N 3.12Å |
| 170 | G | 76.1 | Confident | 89.4 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 118.2 | -15.7 | 171 | 0 | 0 | 0 | 0 | 0 | 114.9 | P147 R167 L168 E321 | P147-G170 WeakPolarHBondContact CA-O 3.47Å; R167-G170 WeakPolarHBondContact O-CA 3.28Å; R167-G170 PolarHBondContact O-N 3.37Å; L168-G170 PolarHBondContact O-N 2.92Å; G170-E321 WeakPolarHBondContact CA-OE1 3.33Å |
| 171 | C | 86.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -64.1 | 148.4 | -179.6 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | L145 T146 Y149 Y151 | L145-C171 HydrophobicContact CB-CB 4.42Å; L145-C171 WeakPolarHBondContact O-CB 3.33Å; L145-C171 PolarHBondContact O-N 3.27Å; L145-C171 VanDerWaalsContact O-N 3.13Å; T146-C171 WeakPolarHBondContact O-CA 3.26Å; Y149-C171 WeakPolarHBondContact O-CA 3.33Å; Y149-C171 WeakPolarHBondContact O-CB 3.34Å; Y151-C171 HydrophobicContact CD2-CB 4.29Å | ||
| 172 | N | 90.8 | Very high | 89.3 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.1 | 169.6 | -74.3 | -21 | 0 | 0 | 0 | 110.1 | Y149 H150 Y151 | Y149-N172 PolarHBondContact O-N 2.98Å; H150-N172 CarbonylContact C-O 3.55Å; H150-N172 WeakPolarHBondContact CA-O 3.43Å; H150-N172 HydrophobicContact CB-CB 4.22Å; Y151-N172 PolarHBondContact N-O 2.83Å |
| 173 | I | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123 | 178.5 | -64.7 | -179.9 | 0 | 0 | 0 | 109.3 | F153 L163 R167 T175 L290 | F153-I173 HydrophobicContact CD2-CG2 3.96Å; F153-I173 HydrophobicContact CE2-CG2 3.8Å; L163-I173 HydrophobicContact CB-CD1 4.24Å; L163-I173 HydrophobicContact CD1-CG2 4.04Å; R167-I173 HydrophobicContact CB-CD1 4.1Å; I173-T175 HydrophobicContact CG2-CG2 4.32Å; I173-L290 HydrophobicContact CB-CB 4.18Å; I173-L290 HydrophobicContact CB-CD2 4.42Å; I173-L290 HydrophobicContact CD1-CD2 4.36Å; I173-L290 HydrophobicContact CG2-CB 4.25Å; I173-L290 HydrophobicContact CG2-CD2 4.46Å; I173-L290 PolarHBondContact O-N 3.1Å |
| 174 | T | 96 | Very high | 89.5 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.8 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 109.7 | F59 H150 Y151 I152 F153 I287 M288 | F59-T174 HydrophobicContact CE2-CG2 4.18Å; F59-T174 HydrophobicContact CZ-CG2 4.36Å; H150-T174 PolarHBondContact NE2-OG1 3.39Å; Y151-T174 PolarHBondContact O-N 3.46Å; I152-T174 WeakPolarHBondContact CA-O 3.47Å; I152-T174 HydrophobicContact CG1-CG2 4.41Å; F153-T174 PolarHBondContact N-O 3.08Å; T174-I287 HydrophobicContact CG2-CG2 3.6Å; T174-M288 CarbonylContact C-O 3.56Å; T174-M288 VanDerWaalsContact CA-O 3.26Å; T174-M288 WeakPolarHBondContact CA-O 3.35Å |
| 175 | T | 95.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.1 | 177.6 | 62 | 0 | 0 | 0 | 0 | 110.2 | F153 A158 L163 I173 M288 Y295 | F153-T175 HydrophobicContact CB-CG2 4.34Å; F153-T175 HydrophobicContact CD2-CG2 4.23Å; A158-T175 HydrophobicContact CB-CG2 3.7Å; L163-T175 HydrophobicContact CD1-CG2 4.34Å; I173-T175 HydrophobicContact CG2-CG2 4.32Å; T175-M288 PolarHBondContact N-O 3.42Å; T175-M288 PolarHBondContact O-N 2.92Å; T175-Y295 HydrophobicContact CG2-CE1 3.85Å |
| 176 | L | 95.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.9 | 174.7 | -55.3 | -174.5 | 0 | 0 | 0 | 109.8 | I52 V55 V56 F153 L156 V285 I287 | I52-L176 HydrophobicContact CG2-CD1 4.01Å; V55-L176 HydrophobicContact CG1-CD1 4.17Å; V55-L176 HydrophobicContact CG1-CD2 3.67Å; V56-L176 HydrophobicContact CG2-CD1 4.02Å; F153-L176 PolarHBondContact O-N 2.77Å; L156-L176 HydrophobicContact CD2-CB 4.02Å; L176-V285 HydrophobicContact CB-CG1 4.29Å; L176-I287 HydrophobicContact CD2-CG1 4.19Å |
| 177 | R | 94.3 | Very high | 89.7 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 119.8 | -177.9 | 177.5 | 169.8 | -178.7 | -164.1 | -3.8 | 111.2 | Y159 V179 D181 G286 M288 | Y159-R177 HydrophobicContact CD1-CB 3.87Å; Y159-R177 HydrophobicContact CD1-CG 3.81Å; Y159-R177 HydrophobicContact CE1-CB 4.07Å; Y159-R177 HydrophobicContact CE1-CG 3.56Å; Y159-R177 HydrophobicContact CE2-CG 4.31Å; Y159-R177 HydrophobicContact CG-CB 4.41Å; Y159-R177 HydrophobicContact CG-CG 4.28Å; R177-V179 HydrophobicContact CG-CB 4.49Å; R177-V179 WeakPolarHBondContact CG-O 3.26Å; R177-V179 PolarHBondContact NE-O 2.7Å; R177-D181 IonicContact CZ-OD2 3.7Å; R177-D181 IonicContact NH1-OD2 3.52Å; R177-D181 PolarHBondContact NH1-OD2 3.37Å; R177-D181 VanDerWaalsContact NH2-CB 3.27Å; R177-D181 IonicContact NH2-OD2 2.74Å; R177-G286 PolarHBondContact N-O 3.04Å; R177-G286 PolarHBondContact O-N 3.16Å; R177-M288 HydrophobicContact CB-CG 3.71Å; R177-M288 HydrophobicContact CB-SD 4.29Å |
| 178 | L | 95.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -86.5 | -29.3 | 174.3 | -176.5 | 68.2 | 0 | 0 | 0 | 112.6 | P47 L156 D180 T214 V218 T269 F283 V285 | P47-L178 HydrophobicContact CG-CD1 4.42Å; P47-L178 HydrophobicContact CG-CD2 4.35Å; L156-L178 HydrophobicContact CD1-CB 4.09Å; L156-L178 HydrophobicContact CD1-CD2 4.21Å; L156-L178 HydrophobicContact CD2-CB 4.39Å; L178-D180 PolarHBondContact O-N 2.82Å; L178-T214 HydrophobicContact CB-CG2 4.08Å; L178-T214 HydrophobicContact CD2-CG2 3.91Å; L178-V218 HydrophobicContact CD2-CG2 4.31Å; L178-T269 HydrophobicContact CD2-CG2 4.35Å; L178-T269 HydrophobicContact CG-CG2 4.3Å; L178-F283 HydrophobicContact CD1-CD2 4.24Å; L178-V285 HydrophobicContact CD1-CG2 4.43Å | ||
| 179 | V | 94.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -72.5 | 126.4 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Y159 R177 D181 T186 V212 A217 | Y159-V179 VanDerWaalsContact OH-CB 3.31Å; Y159-V179 WeakPolarHBondContact OH-CB 3.26Å; Y159-V179 WeakPolarHBondContact OH-CG2 3.3Å; R177-V179 HydrophobicContact CG-CB 4.49Å; R177-V179 WeakPolarHBondContact CG-O 3.26Å; R177-V179 PolarHBondContact NE-O 2.7Å; V179-D181 PolarHBondContact O-N 3.38Å; V179-T186 HydrophobicContact CG1-CG2 3.8Å; V179-V212 HydrophobicContact CG1-CB 4.44Å; V179-A217 HydrophobicContact CG1-CB 4.17Å; V179-A217 HydrophobicContact CG2-CB 3.63Å |
| 180 | D | 93 | Very high | 90.4 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | trans | -83.5 | 111.8 | 173.4 | -176 | 16.5 | 0 | 0 | 0 | 110.2 | L178 E182 A183 T186 S268 K297 | L178-D180 PolarHBondContact O-N 2.82Å; D180-E182 VanDerWaalsContact C-N 3.27Å; D180-E182 PolarHBondContact OD1-N 2.85Å; D180-A183 HydrophobicContact CB-CB 4.07Å; D180-A183 PolarHBondContact OD2-N 3.37Å; D180-T186 WeakPolarHBondContact O-CB 3.25Å; D180-T186 WeakPolarHBondContact O-CG2 3.46Å; D180-T186 PolarHBondContact O-OG1 3.5Å; D180-S268 PolarHBondContact N-O 3.4Å; D180-K297 IonicContact OD1-NZ 3.65Å | ||
| 181 | D | 87.2 | Confident | 90.7 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.214 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -65.7 | -29.7 | 173.5 | 31.5 | 16 | 0 | 0 | 0 | 113.3 | R177 V179 A183 K187 K297 | R177-D181 IonicContact CZ-OD2 3.7Å; R177-D181 IonicContact NH1-OD2 3.52Å; R177-D181 PolarHBondContact NH1-OD2 3.37Å; R177-D181 VanDerWaalsContact NH2-CB 3.27Å; R177-D181 IonicContact NH2-OD2 2.74Å; V179-D181 PolarHBondContact O-N 3.38Å; D181-A183 VanDerWaalsContact C-N 3.3Å; D181-K187 WeakPolarHBondContact O-CE 3.42Å; D181-K187 WeakPolarHBondContact O-CG 3.37Å; D181-K297 WeakPolarHBondContact OD1-CE 3.39Å; D181-K297 IonicContact OD1-NZ 2.71Å; D181-K297 PolarHBondContact OD1-NZ 3.4Å |
| 182 | E | 87.9 | Confident | 90.4 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 52% | 0.523 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -79.4 | -21.9 | -174.3 | -63.9 | -53.3 | 146.9 | 0 | 0 | 112.2 | D180 K187 | D180-E182 VanDerWaalsContact C-N 3.27Å; D180-E182 PolarHBondContact OD1-N 2.85Å; E182-K187 PolarHBondContact O-NZ 2.72Å; E182-K187 WeakPolarHBondContact OE2-CE 3.39Å; E182-K187 IonicContact OE2-NZ 2.79Å; E182-K187 PolarHBondContact OE2-NZ 3.31Å |
| 183 | A | 91.7 | Very high | 89.7 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -54.2 | 126.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D180 D181 I185 T186 K187 | D180-A183 HydrophobicContact CB-CB 4.07Å; D180-A183 PolarHBondContact OD2-N 3.37Å; D181-A183 VanDerWaalsContact C-N 3.3Å; A183-I185 HydrophobicContact CB-CG2 4.09Å; A183-I185 PolarHBondContact O-N 3.48Å; A183-T186 WeakPolarHBondContact O-CB 3.5Å; A183-T186 PolarHBondContact O-N 3.36Å; A183-K187 PolarHBondContact O-N 3Å; A183-K187 VanDerWaalsContact O-N 3.1Å |
| 184 | P | 91.5 | Very high | 88.7 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -55 | -31.9 | -178.8 | -28.2 | 34.3 | 0 | 0 | 0 | 113.3 | R188 | P184-R188 VanDerWaalsContact O-CG 3.32Å; P184-R188 WeakPolarHBondContact O-CG 3.15Å; P184-R188 PolarHBondContact O-N 3.03Å; P184-R188 VanDerWaalsContact O-N 3.09Å |
| 185 | I | 89.5 | Confident | 87.6 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 178.3 | -162.1 | 88.7 | 0 | 0 | 0 | 111.9 | A183 R188 M189 Y220 S268 | A183-I185 HydrophobicContact CB-CG2 4.09Å; A183-I185 PolarHBondContact O-N 3.48Å; I185-R188 WeakPolarHBondContact O-CB 3.48Å; I185-R188 PolarHBondContact O-N 2.72Å; I185-M189 HydrophobicContact CG1-CE 4.37Å; I185-M189 WeakPolarHBondContact O-CG 3.37Å; I185-M189 PolarHBondContact O-N 3.36Å; I185-Y220 HydrophobicContact CD1-CE1 3.67Å; I185-Y220 WeakPolarHBondContact CD1-OH 3.23Å; I185-Y220 HydrophobicContact CG1-CD1 4.26Å; I185-Y220 HydrophobicContact CG1-CE1 3.47Å; I185-Y220 VanDerWaalsContact CG1-CE1 3.47Å; I185-S268 VanDerWaalsContact CG2-OG 3.28Å; I185-S268 WeakPolarHBondContact CG2-OG 3.46Å |
| 186 | T | 90 | Very high | 86.3 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.5 | -54 | 0 | 0 | 0 | 0 | 110.1 | V179 D180 A183 R188 M189 V190 V212 S268 | V179-T186 HydrophobicContact CG1-CG2 3.8Å; D180-T186 WeakPolarHBondContact O-CB 3.25Å; D180-T186 WeakPolarHBondContact O-CG2 3.46Å; D180-T186 PolarHBondContact O-OG1 3.5Å; A183-T186 WeakPolarHBondContact O-CB 3.5Å; A183-T186 PolarHBondContact O-N 3.36Å; T186-R188 VanDerWaalsContact C-N 3.29Å; T186-R188 PolarHBondContact O-N 2.93Å; T186-M189 WeakPolarHBondContact O-CB 3.33Å; T186-M189 PolarHBondContact O-N 3.46Å; T186-M189 VanDerWaalsContact O-N 3.08Å; T186-V190 HydrophobicContact CG2-CG2 4.49Å; T186-V190 WeakPolarHBondContact O-CG2 3.42Å; T186-V190 PolarHBondContact O-N 3.35Å; T186-V212 HydrophobicContact CG2-CB 4.45Å; T186-V212 HydrophobicContact CG2-CG2 4.04Å; T186-S268 WeakPolarHBondContact OG1-CA 3.38Å; T186-S268 PolarHBondContact OG1-O 2.93Å |
| 187 | K | 88.8 | Confident | 84.6 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 174.5 | -69.5 | 177 | 175.4 | 160.1 | 0 | 112 | D181 E182 A183 V190 A191 | D181-K187 WeakPolarHBondContact O-CE 3.42Å; D181-K187 WeakPolarHBondContact O-CG 3.37Å; E182-K187 PolarHBondContact O-NZ 2.72Å; E182-K187 WeakPolarHBondContact OE2-CE 3.39Å; E182-K187 IonicContact OE2-NZ 2.79Å; E182-K187 PolarHBondContact OE2-NZ 3.31Å; A183-K187 PolarHBondContact O-N 3Å; A183-K187 VanDerWaalsContact O-N 3.1Å; K187-V190 PolarHBondContact O-N 2.98Å; K187-A191 PolarHBondContact O-N 3.38Å |
| 188 | R | 88.1 | Confident | 82.8 | Confident | 171 Ų | 171 | 72.5 Ų | 72.5 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 174.3 | -70.7 | 172.8 | -172.4 | 176.9 | 2.8 | 112.5 | P184 I185 T186 A191 K192 | P184-R188 VanDerWaalsContact O-CG 3.32Å; P184-R188 WeakPolarHBondContact O-CG 3.15Å; P184-R188 PolarHBondContact O-N 3.03Å; P184-R188 VanDerWaalsContact O-N 3.09Å; I185-R188 WeakPolarHBondContact O-CB 3.48Å; I185-R188 PolarHBondContact O-N 2.72Å; T186-R188 VanDerWaalsContact C-N 3.29Å; T186-R188 PolarHBondContact O-N 2.93Å; R188-A191 PolarHBondContact O-N 2.97Å; R188-K192 WeakPolarHBondContact O-CG 3.46Å; R188-K192 PolarHBondContact O-N 3.46Å |
| 189 | M | 86.6 | Confident | 81.1 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 174.7 | -70.9 | 176 | 177.4 | 0 | 0 | 111.7 | I185 T186 A191 K192 L193 V212 Y220 S268 | I185-M189 HydrophobicContact CG1-CE 4.37Å; I185-M189 WeakPolarHBondContact O-CG 3.37Å; I185-M189 PolarHBondContact O-N 3.36Å; T186-M189 WeakPolarHBondContact O-CB 3.33Å; T186-M189 PolarHBondContact O-N 3.46Å; T186-M189 VanDerWaalsContact O-N 3.08Å; M189-A191 VanDerWaalsContact C-N 3.31Å; M189-A191 PolarHBondContact O-N 2.93Å; M189-K192 PolarHBondContact O-N 2.98Å; M189-L193 WeakPolarHBondContact O-CB 3.48Å; M189-L193 WeakPolarHBondContact O-CG 3.38Å; M189-L193 PolarHBondContact O-N 3.44Å; M189-V212 HydrophobicContact CB-CG2 3.99Å; M189-V212 HydrophobicContact SD-CG1 4.15Å; M189-Y220 HydrophobicContact CE-CD1 3.14Å; M189-Y220 HydrophobicContact CE-CD2 3.3Å; M189-Y220 HydrophobicContact CE-CE1 3.69Å; M189-Y220 HydrophobicContact CE-CE2 3.82Å; M189-Y220 HydrophobicContact CE-CG 2.93Å; M189-S268 WeakPolarHBondContact CE-OG 3.27Å; M189-S268 PolarHBondContact SD-OG 3.05Å; M189-S268 VanDerWaalsContact SD-OG 3.42Å |
| 190 | V | 83.9 | Confident | 79.1 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | T186 K187 L193 K194 S210 V212 | T186-V190 HydrophobicContact CG2-CG2 4.49Å; T186-V190 WeakPolarHBondContact O-CG2 3.42Å; T186-V190 PolarHBondContact O-N 3.35Å; K187-V190 PolarHBondContact O-N 2.98Å; V190-L193 PolarHBondContact O-N 2.7Å; V190-K194 HydrophobicContact CG1-CD 4.23Å; V190-K194 HydrophobicContact CG1-CG 4.48Å; V190-K194 WeakPolarHBondContact O-CB 3.42Å; V190-K194 WeakPolarHBondContact O-CG 3.38Å; V190-K194 PolarHBondContact O-N 3.32Å; V190-S210 WeakPolarHBondContact CG1-O 3.42Å; V190-S210 WeakPolarHBondContact CG2-O 3.47Å; V190-V212 HydrophobicContact CG2-CG2 3.57Å |
| 191 | A | 83.2 | Confident | 77 | Confident | 48 Ų | 48 | 83.2 Ų | 83.2 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K187 R188 M189 K194 N195 | K187-A191 PolarHBondContact O-N 3.38Å; R188-A191 PolarHBondContact O-N 2.97Å; M189-A191 VanDerWaalsContact C-N 3.31Å; M189-A191 PolarHBondContact O-N 2.93Å; A191-K194 PolarHBondContact O-N 3.05Å; A191-N195 PolarHBondContact O-N 3.32Å |
| 192 | K | 81 | Confident | 75 | Confident | 158 Ų | 158 | 86.6 Ų | 86.6 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 176.1 | -74.3 | -174.9 | 177.4 | -171.7 | 0 | 112.5 | R188 M189 K194 N195 Y196 | R188-K192 WeakPolarHBondContact O-CG 3.46Å; R188-K192 PolarHBondContact O-N 3.46Å; M189-K192 PolarHBondContact O-N 2.98Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 3.19Å; K192-N195 PolarHBondContact O-N 3Å; K192-Y196 PolarHBondContact O-N 3.41Å |
| 193 | L | 76.2 | Confident | 72.9 | Confident | 64 Ų | 64 | 85.8 Ų | 85.8 | 34% | 0.335 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 177.2 | -74.3 | 169.3 | 0 | 0 | 0 | 111.6 | M189 V190 Y196 K197 V212 L216 | M189-L193 WeakPolarHBondContact O-CB 3.48Å; M189-L193 WeakPolarHBondContact O-CG 3.38Å; M189-L193 PolarHBondContact O-N 3.44Å; V190-L193 PolarHBondContact O-N 2.7Å; L193-Y196 PolarHBondContact O-N 3.41Å; L193-K197 WeakPolarHBondContact O-CG 3.47Å; L193-K197 PolarHBondContact O-N 3.08Å; L193-K197 VanDerWaalsContact O-N 3.14Å; L193-V212 HydrophobicContact CD1-CG2 4.08Å; L193-L216 HydrophobicContact CD1-CD2 4.29Å |
| 194 | K | 73.6 | Confident | 70.3 | Confident | 113 Ų | 113 | 89.4 Ų | 89.4 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.8 | -76.5 | 179.5 | 178.6 | -175.3 | 0 | 111.5 | V190 A191 K192 Y196 K197 V198 | V190-K194 HydrophobicContact CG1-CD 4.23Å; V190-K194 HydrophobicContact CG1-CG 4.48Å; V190-K194 WeakPolarHBondContact O-CB 3.42Å; V190-K194 WeakPolarHBondContact O-CG 3.38Å; V190-K194 PolarHBondContact O-N 3.32Å; A191-K194 PolarHBondContact O-N 3.05Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 3.19Å; K194-Y196 VanDerWaalsContact C-N 3.34Å; K194-Y196 PolarHBondContact O-N 3.2Å; K194-K197 PolarHBondContact O-N 3.18Å; K194-V198 PolarHBondContact O-N 3.39Å |
| 195 | N | 71.1 | Confident | 67.6 | Low | 116 Ų | 116 | 93 Ų | 93 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.6 | -37.5 | 179.2 | -69.1 | -4 | 0 | 0 | 0 | 112.4 | A191 K192 V198 S199 | A191-N195 PolarHBondContact O-N 3.32Å; K192-N195 PolarHBondContact O-N 3Å; N195-V198 PolarHBondContact O-N 3.28Å; N195-S199 PolarHBondContact O-N 2.96Å |
| 196 | Y | 69 | Low | 65.2 | Low | 147 Ų | 147 | 95.6 Ų | 95.6 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -35.4 | 177.1 | -169 | -95.9 | 0 | 0 | 0 | 112.9 | K192 L193 K194 V198 S199 N200 | K192-Y196 PolarHBondContact O-N 3.41Å; L193-Y196 PolarHBondContact O-N 3.41Å; K194-Y196 VanDerWaalsContact C-N 3.34Å; K194-Y196 PolarHBondContact O-N 3.2Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 3.23Å; Y196-S199 PolarHBondContact O-N 3.32Å; Y196-S199 PolarHBondContact O-OG 3.36Å; Y196-N200 PolarHBondContact O-N 3.47Å; Y196-N200 PolarHBondContact OH-ND2 3.4Å |
| 197 | K | 60.2 | Low | 63.1 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 37% | 0.365 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 174.2 | -71 | -175 | -166.2 | -174 | 0 | 112.5 | L193 K194 S199 Y207 R208 G209 | L193-K197 WeakPolarHBondContact O-CG 3.47Å; L193-K197 PolarHBondContact O-N 3.08Å; L193-K197 VanDerWaalsContact O-N 3.14Å; K194-K197 PolarHBondContact O-N 3.18Å; K197-S199 VanDerWaalsContact C-N 3.27Å; K197-S199 PolarHBondContact O-N 2.56Å; K197-Y207 WeakPolarHBondContact CE-O 3.29Å; K197-Y207 PolarHBondContact NZ-O 2.74Å; K197-R208 PolarHBondContact NZ-O 2.9Å; K197-G209 PolarHBondContact NZ-O 3.46Å |
| 198 | V | 57.1 | Low | 61.1 | Low | 126 Ų | 126 | 107.2 Ų | 107.2 | 76% | 0.764 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.6 | -30 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | K194 N195 Y196 | K194-V198 PolarHBondContact O-N 3.39Å; N195-V198 PolarHBondContact O-N 3.28Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 3.23Å |
| 199 | S | 57.7 | Low | 59.4 | Low | 82 Ų | 82 | 100.6 Ų | 100.6 | 57% | 0.573 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82.8 | -27 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | N195 Y196 K197 | N195-S199 PolarHBondContact O-N 2.96Å; Y196-S199 PolarHBondContact O-N 3.32Å; Y196-S199 PolarHBondContact O-OG 3.36Å; K197-S199 VanDerWaalsContact C-N 3.27Å; K197-S199 PolarHBondContact O-N 2.56Å |
| 200 | N | 52.9 | Low | 58.4 | Low | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | trans | -119.5 | 79.2 | -176.3 | -88.4 | -5.6 | 0 | 0 | 0 | 111.1 | Y196 S202 | Y196-N200 PolarHBondContact O-N 3.47Å; Y196-N200 PolarHBondContact OH-ND2 3.4Å; N200-S202 PolarHBondContact O-N 3.41Å | ||
| 201 | S | 50 | Low | 58.3 | Low | 116 Ų | 116 | 102.6 Ų | 102.6 | 81% | 0.811 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -3 | 178.1 | 51 | 0 | 0 | 0 | 0 | 114.6 | ||
| 202 | S | 45.6 | Very low | 58.5 | Low | 112 Ų | 112 | 100.3 Ų | 100.3 | 78% | 0.783 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -7.3 | -169.9 | -36.1 | 0 | 0 | 0 | 0 | 116.3 | N200 | N200-S202 PolarHBondContact O-N 3.41Š|
| 203 | S | 42.5 | Very low | 58.9 | Low | 94 Ų | 94 | 93 Ų | 93 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | trans | -96.5 | 98.9 | -179.6 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | H205 | S203-H205 PolarHBondContact O-N 3.31Š| ||
| 204 | S | 36.9 | Very low | 59.7 | Low | 84 Ų | 84 | 90 Ų | 90 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | trans | -81 | -0.2 | -168.6 | 54.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 205 | H | 35.6 | Very low | 60.4 | Low | 169 Ų | 169 | 88.5 Ų | 88.5 | 78% | 0.782 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -140.7 | 106.1 | -175.6 | -59.2 | -68.4 | 0 | 0 | 0 | 111.4 | S203 | S203-H205 PolarHBondContact O-N 3.31Š|
| 206 | A | 40 | Very low | 61.2 | Low | 82 Ų | 82 | 85.8 Ų | 85.8 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 167.9 | -30.6 | 136.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 207 | Y | 45.4 | Very low | 62.3 | Low | 107 Ų | 107 | 78.8 Ų | 78.8 | 42% | 0.42 | 45% | 0.451 | S | S | . | . | trans | -138.9 | 87.5 | -173.2 | -68.9 | -72.2 | 0 | 0 | 0 | 112.6 | K197 P213 Y215 | K197-Y207 WeakPolarHBondContact CE-O 3.29Å; K197-Y207 PolarHBondContact NZ-O 2.74Å; Y207-P213 HydrophobicContact CD1-CG 3.85Å; Y207-P213 HydrophobicContact CE1-CB 4.27Å; Y207-P213 HydrophobicContact CE1-CG 3.18Å; Y207-Y215 WeakPolarHBondContact OH-CE1 3.34Å; Y207-Y215 PolarHBondContact OH-OH 2.9Å | ||
| 208 | R | 46.1 | Very low | 63.9 | Low | 246 Ų | 246 | 74.8 Ų | 74.8 | 93% | 0.928 | 43% | 0.433 | S | S | * | . | trans | -78.2 | -30.2 | 171.2 | -78.3 | -175.5 | 178.1 | 165.2 | -0 | 112.5 | K197 | K197-R208 PolarHBondContact NZ-O 2.9Š| ||
| 209 | G | 53.5 | Low | 65.5 | Low | 31 Ų | 31 | 71.2 Ų | 71.2 | 32% | 0.32 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -70.3 | 151.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K197 A211 | K197-G209 PolarHBondContact NZ-O 3.46Å; G209-A211 PolarHBondContact O-N 3.45Å |
| 210 | S | 64.9 | Low | 67.1 | Low | 76 Ų | 76 | 72 Ų | 72 | 53% | 0.531 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -76.7 | 1.7 | 164.5 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | V190 | V190-S210 WeakPolarHBondContact CG1-O 3.42Å; V190-S210 WeakPolarHBondContact CG2-O 3.47Å |
| 211 | A | 82 | Confident | 69 | Low | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 139.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y159 T160 G209 | Y159-A211 HydrophobicContact CD2-CB 4.13Å; Y159-A211 HydrophobicContact CE2-CB 3.79Å; T160-A211 HydrophobicContact CG2-CB 4.18Å; G209-A211 PolarHBondContact O-N 3.45Å |
| 212 | V | 88 | Confident | 71.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 124.3 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 108 | Y159 V179 T186 M189 V190 L193 L216 A217 | Y159-V212 PolarHBondContact OH-O 3.22Å; V179-V212 HydrophobicContact CG1-CB 4.44Å; T186-V212 HydrophobicContact CG2-CB 4.45Å; T186-V212 HydrophobicContact CG2-CG2 4.04Å; M189-V212 HydrophobicContact CB-CG2 3.99Å; M189-V212 HydrophobicContact SD-CG1 4.15Å; V190-V212 HydrophobicContact CG2-CG2 3.57Å; L193-V212 HydrophobicContact CD1-CG2 4.08Å; V212-L216 HydrophobicContact CG1-CB 4.43Å; V212-L216 HydrophobicContact CG1-CD2 4.22Å; V212-L216 HydrophobicContact CG1-CG 4.38Å; V212-A217 HydrophobicContact CG1-CB 4.12Å |
| 213 | P | 89.2 | Confident | 73.3 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 150.1 | 174 | -21.8 | 34.1 | 0 | 0 | 0 | 112.5 | Y207 Y215 L216 A217 | Y207-P213 HydrophobicContact CD1-CG 3.85Å; Y207-P213 HydrophobicContact CE1-CB 4.27Å; Y207-P213 HydrophobicContact CE1-CG 3.18Å; P213-Y215 HydrophobicContact CB-CD1 3.56Å; P213-Y215 HydrophobicContact CB-CE1 3.37Å; P213-Y215 HydrophobicContact CG-CE1 3.9Å; P213-Y215 PolarHBondContact O-N 3.44Å; P213-L216 HydrophobicContact CB-CB 4.48Å; P213-L216 PolarHBondContact O-N 2.86Å; P213-A217 PolarHBondContact O-N 3.32Å |
| 214 | T | 91.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | -178.3 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | Y46 L156 D157 L178 L216 A217 V218 | Y46-T214 HydrophobicContact CE1-CG2 4.26Å; Y46-T214 HydrophobicContact CE2-CG2 4.4Å; Y46-T214 WeakPolarHBondContact OH-CG2 3.38Å; L156-T214 HydrophobicContact CB-CG2 4.18Å; L156-T214 HydrophobicContact CD1-CG2 4.25Å; L156-T214 PolarHBondContact O-OG1 3Å; L156-T214 VanDerWaalsContact O-OG1 3.11Å; D157-T214 WeakPolarHBondContact OD1-CA 3.24Å; D157-T214 WeakPolarHBondContact OD1-CB 3.49Å; D157-T214 PolarHBondContact OD1-N 2.76Å; D157-T214 PolarHBondContact OD1-OG1 2.9Å; L178-T214 HydrophobicContact CB-CG2 4.08Å; L178-T214 HydrophobicContact CD2-CG2 3.91Å; T214-L216 VanDerWaalsContact C-N 3.28Å; T214-L216 PolarHBondContact O-N 3.17Å; T214-A217 PolarHBondContact O-N 2.95Å; T214-V218 HydrophobicContact CG2-CG2 4.2Å; T214-V218 WeakPolarHBondContact O-CB 2.84Å; T214-V218 VanDerWaalsContact O-CG2 3.26Å; T214-V218 WeakPolarHBondContact O-CG2 3.32Å; T214-V218 PolarHBondContact O-N 3.5Å |
| 215 | Y | 88 | Confident | 78.2 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 178.6 | 81.7 | -85.4 | 0 | 0 | 0 | 112.3 | Y207 P213 V218 I219 | Y207-Y215 WeakPolarHBondContact OH-CE1 3.34Å; Y207-Y215 PolarHBondContact OH-OH 2.9Å; P213-Y215 HydrophobicContact CB-CD1 3.56Å; P213-Y215 HydrophobicContact CB-CE1 3.37Å; P213-Y215 HydrophobicContact CG-CE1 3.9Å; P213-Y215 PolarHBondContact O-N 3.44Å; Y215-V218 PolarHBondContact O-N 2.85Å; Y215-I219 HydrophobicContact CD2-CD1 4.01Å; Y215-I219 WeakPolarHBondContact O-CB 3.09Å; Y215-I219 VanDerWaalsContact O-CG1 3.28Å; Y215-I219 WeakPolarHBondContact O-CG1 3.49Å; Y215-I219 PolarHBondContact O-N 3.29Å |
| 216 | L | 88.3 | Confident | 80.9 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 179.3 | 178.6 | 62.1 | 0 | 0 | 0 | 111.1 | L193 V212 P213 T214 V218 I219 Y220 | L193-L216 HydrophobicContact CD1-CD2 4.29Å; V212-L216 HydrophobicContact CG1-CB 4.43Å; V212-L216 HydrophobicContact CG1-CD2 4.22Å; V212-L216 HydrophobicContact CG1-CG 4.38Å; P213-L216 HydrophobicContact CB-CB 4.48Å; P213-L216 PolarHBondContact O-N 2.86Å; T214-L216 VanDerWaalsContact C-N 3.28Å; T214-L216 PolarHBondContact O-N 3.17Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 2.94Å; L216-I219 PolarHBondContact O-N 2.9Å; L216-Y220 PolarHBondContact O-N 3.49Å; L216-Y220 VanDerWaalsContact O-N 3.08Å |
| 217 | A | 92.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V179 V212 P213 T214 Y220 D221 T269 | V179-A217 HydrophobicContact CG1-CB 4.17Å; V179-A217 HydrophobicContact CG2-CB 3.63Å; V212-A217 HydrophobicContact CG1-CB 4.12Å; P213-A217 PolarHBondContact O-N 3.32Å; T214-A217 PolarHBondContact O-N 2.95Å; A217-Y220 PolarHBondContact O-N 3.35Å; A217-D221 PolarHBondContact O-N 3.45Å; A217-T269 HydrophobicContact CB-CG2 3.78Å |
| 218 | V | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67 | -42.9 | 179.4 | 171 | 0 | 0 | 0 | 0 | 112.2 | T30 L45 Y46 L178 T214 Y215 L216 Y220 D221 A222 T269 | T30-V218 HydrophobicContact CG2-CG1 3.82Å; L45-V218 HydrophobicContact CB-CG1 3.52Å; L45-V218 HydrophobicContact CD2-CG1 4.42Å; Y46-V218 HydrophobicContact CD2-CB 4.33Å; Y46-V218 HydrophobicContact CD2-CG1 3.9Å; Y46-V218 HydrophobicContact CD2-CG2 3.93Å; Y46-V218 HydrophobicContact CE2-CB 3.93Å; Y46-V218 HydrophobicContact CE2-CG1 3.93Å; Y46-V218 HydrophobicContact CE2-CG2 3.62Å; L178-V218 HydrophobicContact CD2-CG2 4.31Å; T214-V218 HydrophobicContact CG2-CG2 4.2Å; T214-V218 WeakPolarHBondContact O-CB 2.84Å; T214-V218 VanDerWaalsContact O-CG2 3.26Å; T214-V218 WeakPolarHBondContact O-CG2 3.32Å; T214-V218 PolarHBondContact O-N 3.5Å; Y215-V218 PolarHBondContact O-N 2.85Å; L216-V218 VanDerWaalsContact C-N 3.33Å; L216-V218 PolarHBondContact O-N 2.94Å; V218-Y220 VanDerWaalsContact C-N 3.28Å; V218-Y220 PolarHBondContact O-N 3.39Å; V218-D221 PolarHBondContact O-N 3.44Å; V218-A222 WeakPolarHBondContact O-CB 3.45Å; V218-A222 PolarHBondContact O-N 3.18Å; V218-T269 HydrophobicContact CG2-CG2 3.77Å |
| 219 | I | 90.6 | Very high | 87.6 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 26% | 0.256 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 175 | -78.2 | 169.4 | 0 | 0 | 0 | 110.6 | L5 T30 Y215 L216 A222 V223 | L5-I219 HydrophobicContact CD2-CB 4.44Å; L5-I219 HydrophobicContact CD2-CG1 4.3Å; L5-I219 HydrophobicContact CD2-CG2 3.92Å; T30-I219 HydrophobicContact CG2-CG1 4.04Å; Y215-I219 HydrophobicContact CD2-CD1 4.01Å; Y215-I219 WeakPolarHBondContact O-CB 3.09Å; Y215-I219 VanDerWaalsContact O-CG1 3.28Å; Y215-I219 WeakPolarHBondContact O-CG1 3.49Å; Y215-I219 PolarHBondContact O-N 3.29Å; L216-I219 PolarHBondContact O-N 2.9Å; I219-A222 WeakPolarHBondContact O-CB 3.1Å; I219-A222 PolarHBondContact O-N 2.82Å; I219-V223 WeakPolarHBondContact O-CG2 3.44Å; I219-V223 PolarHBondContact O-N 3.42Å |
| 220 | Y | 91.5 | Very high | 89.3 | Confident | 99 Ų | 99 | 35.5 Ų | 35.5 | 39% | 0.388 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.9 | -175.4 | -90.1 | 0 | 0 | 0 | 112.1 | I185 M189 L216 A217 V218 A222 V223 K224 | I185-Y220 HydrophobicContact CD1-CE1 3.67Å; I185-Y220 WeakPolarHBondContact CD1-OH 3.23Å; I185-Y220 HydrophobicContact CG1-CD1 4.26Å; I185-Y220 HydrophobicContact CG1-CE1 3.47Å; I185-Y220 VanDerWaalsContact CG1-CE1 3.47Å; M189-Y220 HydrophobicContact CE-CD1 3.14Å; M189-Y220 HydrophobicContact CE-CD2 3.3Å; M189-Y220 HydrophobicContact CE-CE1 3.69Å; M189-Y220 HydrophobicContact CE-CE2 3.82Å; M189-Y220 HydrophobicContact CE-CG 2.93Å; L216-Y220 PolarHBondContact O-N 3.49Å; L216-Y220 VanDerWaalsContact O-N 3.08Å; A217-Y220 PolarHBondContact O-N 3.35Å; V218-Y220 VanDerWaalsContact C-N 3.28Å; V218-Y220 PolarHBondContact O-N 3.39Å; Y220-A222 VanDerWaalsContact C-N 3.27Å; Y220-A222 PolarHBondContact O-N 3.49Å; Y220-V223 PolarHBondContact O-N 2.94Å; Y220-K224 HydrophobicContact CE1-CD 4.26Å; Y220-K224 WeakPolarHBondContact O-CB 3.08Å; Y220-K224 PolarHBondContact O-N 2.91Å |
| 221 | D | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -36.1 | 177.1 | -74.1 | -20.5 | 0 | 0 | 0 | 111.8 | L45 A217 V218 K224 V225 F265 G267 S268 T269 I272 | L45-D221 HydrophobicContact CD2-CB 3.88Å; A217-D221 PolarHBondContact O-N 3.45Å; V218-D221 PolarHBondContact O-N 3.44Å; D221-K224 WeakPolarHBondContact O-CB 3.49Å; D221-K224 PolarHBondContact O-N 3.22Å; D221-V225 PolarHBondContact O-N 3.46Å; D221-F265 HydrophobicContact CB-CZ 4.33Å; D221-F265 WeakPolarHBondContact O-CZ 3.26Å; D221-G267 WeakPolarHBondContact OD1-CA 3.11Å; D221-S268 VanDerWaalsContact CG-N 3.34Å; D221-S268 PolarHBondContact OD1-N 2.84Å; D221-S268 PolarHBondContact OD2-N 3.47Å; D221-S268 VanDerWaalsContact OD2-N 3.1Å; D221-T269 WeakPolarHBondContact OD2-CB 3.5Å; D221-T269 WeakPolarHBondContact OD2-CG2 3.31Å; D221-T269 PolarHBondContact OD2-N 2.77Å; D221-T269 PolarHBondContact OD2-OG1 3.15Å; D221-I272 HydrophobicContact CB-CD1 3.63Å; D221-I272 WeakPolarHBondContact OD2-CD1 3.36Å |
| 222 | A | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L5 L28 T30 L45 V218 I219 Y220 K224 V225 I226 | L5-A222 HydrophobicContact CD1-CB 3.4Å; L5-A222 VanDerWaalsContact CD1-CB 3.4Å; L5-A222 HydrophobicContact CD2-CB 4.5Å; L28-A222 HydrophobicContact CD2-CB 3.91Å; T30-A222 HydrophobicContact CG2-CB 4.45Å; L45-A222 HydrophobicContact CD1-CB 3.86Å; L45-A222 HydrophobicContact CD2-CB 3.8Å; L45-A222 VanDerWaalsContact CD2-N 3.33Å; L45-A222 HydrophobicContact CG-CB 4.46Å; V218-A222 WeakPolarHBondContact O-CB 3.45Å; V218-A222 PolarHBondContact O-N 3.18Å; I219-A222 WeakPolarHBondContact O-CB 3.1Å; I219-A222 PolarHBondContact O-N 2.82Å; Y220-A222 VanDerWaalsContact C-N 3.27Å; Y220-A222 PolarHBondContact O-N 3.49Å; A222-K224 VanDerWaalsContact C-N 3.26Å; A222-K224 PolarHBondContact O-N 2.9Å; A222-V225 VanDerWaalsContact O-CG1 3.32Å; A222-V225 WeakPolarHBondContact O-CG1 3.17Å; A222-V225 PolarHBondContact O-N 3.45Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 VanDerWaalsContact O-CG1 3.31Å; A222-I226 WeakPolarHBondContact O-CG1 3.33Å; A222-I226 PolarHBondContact O-N 3.32Å; A222-I226 VanDerWaalsContact O-N 3.14Å |
| 223 | V | 91.7 | Very high | 91 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 47% | 0.473 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -39 | 174.5 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L5 I219 Y220 I226 A227 | L5-V223 HydrophobicContact CD2-CG2 4.24Å; I219-V223 WeakPolarHBondContact O-CG2 3.44Å; I219-V223 PolarHBondContact O-N 3.42Å; Y220-V223 PolarHBondContact O-N 2.94Å; V223-I226 PolarHBondContact O-N 3.13Å; V223-A227 VanDerWaalsContact O-CB 3.31Å; V223-A227 WeakPolarHBondContact O-CB 3.44Å; V223-A227 PolarHBondContact O-N 2.87Å |
| 224 | K | 91.7 | Very high | 90.8 | Very high | 66 Ų | 66 | 49 Ų | 49 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 179.7 | -173.3 | 175.5 | 174.4 | -169 | 0 | 112.4 | Y220 D221 A222 A227 K228 F265 E266 | Y220-K224 HydrophobicContact CE1-CD 4.26Å; Y220-K224 WeakPolarHBondContact O-CB 3.08Å; Y220-K224 PolarHBondContact O-N 2.91Å; D221-K224 WeakPolarHBondContact O-CB 3.49Å; D221-K224 PolarHBondContact O-N 3.22Å; A222-K224 VanDerWaalsContact C-N 3.26Å; A222-K224 PolarHBondContact O-N 2.9Å; K224-A227 PolarHBondContact O-N 3.38Å; K224-K228 VanDerWaalsContact O-CB 3.29Å; K224-K228 WeakPolarHBondContact O-CB 3.36Å; K224-K228 PolarHBondContact O-N 3.18Å; K224-F265 HydrophobicContact CB-CE2 4.3Å; K224-F265 HydrophobicContact CD-CD2 4.04Å; K224-F265 HydrophobicContact CD-CE2 3.78Å; K224-F265 HydrophobicContact CG-CD2 4.43Å; K224-F265 HydrophobicContact CG-CE2 4.08Å; K224-E266 PolarHBondContact NZ-O 2.88Å |
| 225 | V | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 177.9 | 77.2 | 0 | 0 | 0 | 0 | 111.8 | L28 D221 A222 K228 T229 I260 T263 F265 F274 | L28-V225 HydrophobicContact CD2-CG1 3.88Å; D221-V225 PolarHBondContact O-N 3.46Å; A222-V225 VanDerWaalsContact O-CG1 3.32Å; A222-V225 WeakPolarHBondContact O-CG1 3.17Å; A222-V225 PolarHBondContact O-N 3.45Å; V225-K228 PolarHBondContact O-N 2.82Å; V225-T229 WeakPolarHBondContact O-CB 3.47Å; V225-T229 VanDerWaalsContact O-CG2 3.29Å; V225-T229 WeakPolarHBondContact O-CG2 3.49Å; V225-T229 PolarHBondContact O-N 3.45Å; V225-T229 PolarHBondContact O-OG1 3.2Å; V225-I260 HydrophobicContact CG1-CG2 3.88Å; V225-I260 HydrophobicContact CG2-CG2 3.86Å; V225-T263 HydrophobicContact CG2-CG2 3.92Å; V225-F265 HydrophobicContact CB-CD1 4.42Å; V225-F265 HydrophobicContact CB-CE1 3.53Å; V225-F265 HydrophobicContact CB-CZ 3.87Å; V225-F265 HydrophobicContact CG2-CD1 4.14Å; V225-F265 HydrophobicContact CG2-CE1 3.61Å; V225-F265 HydrophobicContact CG2-CZ 4.44Å; V225-F274 HydrophobicContact CG2-CE2 4.43Å |
| 226 | I | 91.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.138 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 173.1 | -65.3 | 162.3 | 0 | 0 | 0 | 110 | V2 A3 L28 A222 V223 K228 T229 A230 | V2-I226 HydrophobicContact CG1-CG2 4.44Å; A3-I226 HydrophobicContact CB-CD1 3.83Å; A3-I226 HydrophobicContact CB-CG1 4.22Å; L28-I226 HydrophobicContact CD1-CD1 3.94Å; L28-I226 HydrophobicContact CD1-CG1 4.07Å; L28-I226 HydrophobicContact CD2-CD1 3.68Å; L28-I226 HydrophobicContact CD2-CG1 3.67Å; L28-I226 HydrophobicContact CG-CD1 4.39Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 VanDerWaalsContact O-CG1 3.31Å; A222-I226 WeakPolarHBondContact O-CG1 3.33Å; A222-I226 PolarHBondContact O-N 3.32Å; A222-I226 VanDerWaalsContact O-N 3.14Å; V223-I226 PolarHBondContact O-N 3.13Å; I226-K228 PolarHBondContact O-N 2.93Å; I226-T229 WeakPolarHBondContact CA-OG1 3.49Å; I226-T229 PolarHBondContact O-N 2.96Å; I226-T229 PolarHBondContact O-OG1 3.25Å; I226-A230 WeakPolarHBondContact O-CB 3.34Å; I226-A230 PolarHBondContact O-N 3.39Å |
| 227 | A | 90.5 | Very high | 90.5 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V223 K224 L231 | V223-A227 VanDerWaalsContact O-CB 3.31Å; V223-A227 WeakPolarHBondContact O-CB 3.44Å; V223-A227 PolarHBondContact O-N 2.87Å; K224-A227 PolarHBondContact O-N 3.38Å; A227-L231 VanDerWaalsContact O-CB 3.29Å; A227-L231 WeakPolarHBondContact O-CB 3.19Å; A227-L231 PolarHBondContact O-N 3.43Å |
| 228 | K | 91.4 | Very high | 90.1 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 178.4 | -173.9 | 175.1 | 177.4 | -174.8 | 0 | 111.7 | K224 V225 I226 V232 T263 A264 | K224-K228 VanDerWaalsContact O-CB 3.29Å; K224-K228 WeakPolarHBondContact O-CB 3.36Å; K224-K228 PolarHBondContact O-N 3.18Å; V225-K228 PolarHBondContact O-N 2.82Å; I226-K228 PolarHBondContact O-N 2.93Å; K228-V232 WeakPolarHBondContact O-CG2 3.45Å; K228-V232 PolarHBondContact O-N 2.96Å; K228-T263 HydrophobicContact CD-CG2 3.91Å; K228-A264 PolarHBondContact NZ-O 3.15Å |
| 229 | T | 91.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.8 | -42.1 | -179.1 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | V225 I226 L231 V232 L233 F259 I260 T263 | V225-T229 WeakPolarHBondContact O-CB 3.47Å; V225-T229 VanDerWaalsContact O-CG2 3.29Å; V225-T229 WeakPolarHBondContact O-CG2 3.49Å; V225-T229 PolarHBondContact O-N 3.45Å; V225-T229 PolarHBondContact O-OG1 3.2Å; I226-T229 WeakPolarHBondContact CA-OG1 3.49Å; I226-T229 PolarHBondContact O-N 2.96Å; I226-T229 PolarHBondContact O-OG1 3.25Å; T229-L231 VanDerWaalsContact C-N 3.26Å; T229-L231 PolarHBondContact O-N 3.18Å; T229-V232 PolarHBondContact O-N 2.89Å; T229-L233 PolarHBondContact O-N 3.2Å; T229-F259 HydrophobicContact CG2-CB 4.39Å; T229-I260 HydrophobicContact CG2-CB 4.33Å; T229-I260 HydrophobicContact CG2-CG1 3.84Å; T229-I260 WeakPolarHBondContact OG1-CG1 3.33Å; T229-T263 HydrophobicContact CG2-CG2 4.41Å; T229-T263 WeakPolarHBondContact CG2-OG1 3.47Å |
| 230 | A | 88.4 | Confident | 89 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.7 | -34.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I226 L233 K234 L237 | I226-A230 WeakPolarHBondContact O-CB 3.34Å; I226-A230 PolarHBondContact O-N 3.39Å; A230-L233 CarbonylContact O-C 3.51Å; A230-K234 WeakPolarHBondContact O-CA 3.49Å; A230-K234 PolarHBondContact O-N 2.96Å; A230-L237 HydrophobicContact CB-CD1 4.3Å |
| 231 | L | 89.8 | Confident | 88.6 | Confident | 132 Ų | 132 | 64 Ų | 64 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.3 | -38.8 | 175.4 | -174.1 | 66.8 | 0 | 0 | 0 | 112.2 | A227 T229 L233 K234 | A227-L231 VanDerWaalsContact O-CB 3.29Å; A227-L231 WeakPolarHBondContact O-CB 3.19Å; A227-L231 PolarHBondContact O-N 3.43Å; T229-L231 VanDerWaalsContact C-N 3.26Å; T229-L231 PolarHBondContact O-N 3.18Å; L231-L233 VanDerWaalsContact C-N 3.35Å; L231-K234 WeakPolarHBondContact O-CB 3.48Å |
| 232 | V | 90.2 | Very high | 88.1 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 61% | 0.606 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.5 | -38.4 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | K228 T229 K234 F259 | K228-V232 WeakPolarHBondContact O-CG2 3.45Å; K228-V232 PolarHBondContact O-N 2.96Å; T229-V232 PolarHBondContact O-N 2.89Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-F259 HydrophobicContact CG1-CD1 4.26Å; V232-F259 HydrophobicContact CG1-CE1 4.04Å |
| 233 | L | 89.9 | Confident | 87.6 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 18.8 | -179 | -62.2 | 174.5 | 0 | 0 | 0 | 113.4 | T229 A230 L231 D235 S236 L237 T255 L256 F259 | T229-L233 PolarHBondContact O-N 3.2Å; A230-L233 CarbonylContact O-C 3.51Å; L231-L233 VanDerWaalsContact C-N 3.35Å; L233-D235 PolarHBondContact O-N 3.47Å; L233-D235 VanDerWaalsContact O-N 3.11Å; L233-S236 CarbonylContact O-C 3.58Å; L233-S236 PolarHBondContact O-N 3.24Å; L233-L237 HydrophobicContact CB-CD1 3.64Å; L233-L237 HydrophobicContact CB-CD2 4.32Å; L233-L237 HydrophobicContact CB-CG 3.61Å; L233-L237 HydrophobicContact CD1-CD1 4.34Å; L233-L237 HydrophobicContact CD1-CD2 4.19Å; L233-L237 HydrophobicContact CD1-CG 4.34Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 2.75Å; L233-T255 HydrophobicContact CD1-CG2 4.41Å; L233-L256 HydrophobicContact CD1-CB 4.5Å; L233-L256 HydrophobicContact CD1-CD1 4.05Å; L233-F259 HydrophobicContact CD1-CB 3.83Å; L233-F259 HydrophobicContact CD1-CD1 4.33Å; L233-F259 HydrophobicContact CD1-CD2 3.84Å; L233-F259 HydrophobicContact CD1-CE2 4.5Å; L233-F259 HydrophobicContact CD1-CG 3.73Å; L233-F259 HydrophobicContact CD2-CD1 4.03Å; L233-F259 HydrophobicContact CD2-CD2 3.85Å; L233-F259 HydrophobicContact CD2-CE1 3.86Å; L233-F259 HydrophobicContact CD2-CE2 3.67Å; L233-F259 HydrophobicContact CD2-CG 4.02Å; L233-F259 HydrophobicContact CD2-CZ 3.67Å; L233-F259 HydrophobicContact CG-CD1 4.15Å; L233-F259 HydrophobicContact CG-CD2 4.26Å; L233-F259 HydrophobicContact CG-CE1 4.44Å; L233-F259 HydrophobicContact CG-CG 4.05Å |
| 234 | K | 86.7 | Confident | 86.9 | Confident | 147 Ų | 147 | 70.3 Ų | 70.3 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -41.5 | -171.4 | -179.2 | -171.1 | 171.4 | -163.5 | 0 | 113 | A230 L231 V232 | A230-K234 WeakPolarHBondContact O-CA 3.49Å; A230-K234 PolarHBondContact O-N 2.96Å; L231-K234 WeakPolarHBondContact O-CB 3.48Å; V232-K234 VanDerWaalsContact C-N 3.34Å |
| 235 | D | 87.9 | Confident | 86.5 | Confident | 151 Ų | 151 | 77.9 Ų | 77.9 | 81% | 0.807 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5 | -176.8 | -54 | -39.2 | 0 | 0 | 0 | 112.8 | L233 | L233-D235 PolarHBondContact O-N 3.47Å; L233-D235 VanDerWaalsContact O-N 3.11Å |
| 236 | S | 86.3 | Confident | 86 | Confident | 80 Ų | 80 | 82.4 Ų | 82.4 | 56% | 0.559 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -13.9 | -179.5 | -52.4 | 0 | 0 | 0 | 0 | 113.6 | L233 | L233-S236 CarbonylContact O-C 3.58Å; L233-S236 PolarHBondContact O-N 3.24Å |
| 237 | L | 86 | Confident | 85.5 | Confident | 29 Ų | 29 | 86.7 Ų | 86.7 | 15% | 0.152 | 49% | 0.492 | C | S | . | . | trans | -95.2 | 120.1 | 177.9 | -67.7 | 170.9 | 0 | 0 | 0 | 110.5 | A230 L233 W250 D252 L256 | A230-L237 HydrophobicContact CB-CD1 4.3Å; L233-L237 HydrophobicContact CB-CD1 3.64Å; L233-L237 HydrophobicContact CB-CD2 4.32Å; L233-L237 HydrophobicContact CB-CG 3.61Å; L233-L237 HydrophobicContact CD1-CD1 4.34Å; L233-L237 HydrophobicContact CD1-CD2 4.19Å; L233-L237 HydrophobicContact CD1-CG 4.34Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 2.75Å; L237-W250 HydrophobicContact CD2-CH2 4.42Å; L237-W250 HydrophobicContact CD2-CZ2 4.15Å; L237-D252 HydrophobicContact CD2-CB 3.9Å; L237-L256 HydrophobicContact CD1-CD1 4.23Å; L237-L256 HydrophobicContact CD2-CB 4.01Å | ||
| 238 | S | 84.7 | Confident | 85.3 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | trans | -106.8 | 108.5 | 167 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | E240 W250 D252 | S238-E240 PolarHBondContact O-N 3.23Å; S238-W250 PolarHBondContact O-NE1 3.01Å; S238-D252 PolarHBondContact N-OD2 2.82Å; S238-D252 PolarHBondContact OG-OD2 3.38Å | ||
| 239 | P | 79.3 | Confident | 85.1 | Confident | 95 Ų | 95 | 85.3 Ų | 85.3 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | trans | -66.1 | 122.3 | 176.4 | -19.9 | 31.9 | 0 | 0 | 0 | 110.8 | ||||
| 240 | E | 82.5 | Confident | 85 | Confident | 81 Ų | 81 | 85.5 Ų | 85.5 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | trans | -106.8 | 148.4 | 177.6 | -65.6 | 179.3 | 159.8 | 0 | 0 | 111.4 | S238 | S238-E240 PolarHBondContact O-N 3.23Š| ||
| 241 | A | 82.3 | Confident | 84.9 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 90% | 0.901 | 51% | 0.511 | S | S | * | . | trans | -80.3 | 122.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 242 | I | 82.5 | Confident | 84.8 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 30% | 0.297 | 49% | 0.486 | S | S | . | . | trans | -109 | 131.9 | -178.5 | -47.4 | 169.9 | 0 | 0 | 0 | 108.9 | R23 V25 W250 | R23-I242 HydrophobicContact CB-CG2 4.41Å; R23-I242 HydrophobicContact CG-CG2 4.37Å; V25-I242 HydrophobicContact CG2-CD1 3.34Å; I242-W250 HydrophobicContact CD1-CB 3.54Å; I242-W250 HydrophobicContact CD1-CG 4.46Å; I242-W250 HydrophobicContact CG1-CB 4.18Å | ||
| 243 | D | 82.4 | Confident | 84.8 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | trans | -99.6 | 128.2 | 172.2 | -173.4 | -8.8 | 0 | 0 | 0 | 109.7 | R245 | D243-R245 PolarHBondContact O-N 3.45Å; D243-R245 WeakPolarHBondContact OD1-CB 3.4Å; D243-R245 PolarHBondContact OD1-N 2.98Å | ||
| 244 | C | 77.6 | Confident | 84.7 | Confident | 82 Ų | 82 | 85.7 Ų | 85.7 | 55% | 0.554 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.7 | 177.2 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | R23 | R23-C244 PolarHBondContact NH2-O 3.49Š|
| 245 | R | 83.4 | Confident | 84.9 | Confident | 225 Ų | 225 | 81.6 Ų | 81.6 | 85% | 0.849 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -27.9 | -177.5 | -61.7 | 177.9 | -179.4 | -175 | 1.3 | 114.2 | D243 | D243-R245 PolarHBondContact O-N 3.45Å; D243-R245 WeakPolarHBondContact OD1-CB 3.4Å; D243-R245 PolarHBondContact OD1-N 2.98Å |
| 246 | N | 82.3 | Confident | 85.1 | Confident | 94 Ų | 94 | 74.4 Ų | 74.4 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -98.1 | 175.4 | -178.2 | -69.9 | -9.2 | 0 | 0 | 0 | 110.7 | R23 T248 | R23-N246 PolarHBondContact NH1-O 3.14Å; R23-N246 PolarHBondContact NH2-O 3.44Å; N246-T248 VanDerWaalsContact C-N 3.27Å; N246-T248 HydrophobicContact CB-CG2 4.42Å; N246-T248 PolarHBondContact O-N 3.1Å |
| 247 | S | 80.9 | Confident | 85.3 | Confident | 118 Ų | 118 | 70.6 Ų | 70.6 | 83% | 0.825 | 39% | 0.39 | S | S | * | . | trans | -91.4 | 23.5 | 179.5 | -48.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 248 | T | 85.7 | Confident | 85.6 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | trans | -74.7 | 141.8 | -177.7 | 54 | 0 | 0 | 0 | 0 | 111.1 | R23 N246 | R23-T248 WeakPolarHBondContact CD-O 3.26Å; R23-T248 PolarHBondContact NH1-O 3.43Å; N246-T248 VanDerWaalsContact C-N 3.27Å; N246-T248 HydrophobicContact CB-CG2 4.42Å; N246-T248 PolarHBondContact O-N 3.1Å | ||
| 249 | V | 88 | Confident | 85.9 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | trans | -122.4 | 150.8 | 176.9 | -61 | 0 | 0 | 0 | 0 | 108.5 | D24 R251 | D24-V249 HydrophobicContact CB-CB 4.36Å; V249-R251 PolarHBondContact O-N 2.04Å | ||
| 250 | W | 89.2 | Confident | 86.6 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 2% | 0.019 | 37% | 0.374 | C | S | . | . | trans | -84.6 | 106.3 | 172.4 | 177 | 37.8 | 0 | 0 | 0 | 109.9 | V2 R23 P26 L237 S238 I242 D252 G253 L256 | V2-W250 HydrophobicContact CG1-CH2 4.1Å; V2-W250 VanDerWaalsContact O-CZ3 3.22Å; V2-W250 WeakPolarHBondContact O-CZ3 3.34Å; R23-W250 PolarHBondContact O-N 2.92Å; P26-W250 HydrophobicContact CG-CZ3 4.26Å; L237-W250 HydrophobicContact CD2-CH2 4.42Å; L237-W250 HydrophobicContact CD2-CZ2 4.15Å; S238-W250 PolarHBondContact O-NE1 3.01Å; I242-W250 HydrophobicContact CD1-CB 3.54Å; I242-W250 HydrophobicContact CD1-CG 4.46Å; I242-W250 HydrophobicContact CG1-CB 4.18Å; W250-D252 HydrophobicContact CZ2-CB 4.21Å; W250-D252 PolarHBondContact O-N 2.92Å; W250-D252 VanDerWaalsContact O-N 3.17Å; W250-G253 PolarHBondContact O-N 3.48Å; W250-L256 HydrophobicContact CH2-CB 4.41Å; W250-L256 HydrophobicContact CH2-CD2 3.65Å; W250-L256 HydrophobicContact CZ3-CD2 4Å | ||
| 251 | R | 85.2 | Confident | 87.1 | Confident | 193 Ų | 193 | 67.3 Ų | 67.3 | 73% | 0.728 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -36.7 | -170.4 | -63.6 | 178.2 | -176.8 | 172.8 | 2.4 | 113.3 | V249 G253 | V249-R251 PolarHBondContact O-N 2.04Å; R251-G253 VanDerWaalsContact C-N 3.32Å |
| 252 | D | 88.9 | Confident | 87.6 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -7.1 | -178 | -57.7 | -28.2 | 0 | 0 | 0 | 113 | L237 S238 W250 T255 L256 | L237-D252 HydrophobicContact CD2-CB 3.9Å; S238-D252 PolarHBondContact N-OD2 2.82Å; S238-D252 PolarHBondContact OG-OD2 3.38Å; W250-D252 HydrophobicContact CZ2-CB 4.21Å; W250-D252 PolarHBondContact O-N 2.92Å; W250-D252 VanDerWaalsContact O-N 3.17Å; D252-T255 WeakPolarHBondContact O-CB 3.48Å; D252-T255 PolarHBondContact O-N 2.91Å; D252-L256 PolarHBondContact O-N 2.85Å |
| 253 | G | 89 | Confident | 88.1 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70 | -36.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D24 P26 W250 R251 T255 L256 M257 | D24-G253 CarbonylContact O-C 3.36Å; D24-G253 WeakPolarHBondContact O-CA 3.21Å; P26-G253 WeakPolarHBondContact CG-O 3.18Å; W250-G253 PolarHBondContact O-N 3.48Å; R251-G253 VanDerWaalsContact C-N 3.32Å; G253-T255 VanDerWaalsContact C-N 3.34Å; G253-L256 PolarHBondContact O-N 2.94Å; G253-M257 WeakPolarHBondContact O-CB 3.07Å; G253-M257 PolarHBondContact O-N 3.33Å |
| 254 | T | 89 | Confident | 88.7 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 170.3 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | D24 M257 N258 | D24-T254 VanDerWaalsContact CG-OG1 3.29Å; D24-T254 PolarHBondContact OD1-OG1 3.08Å; T254-M257 PolarHBondContact O-N 3.45Å; T254-N258 WeakPolarHBondContact O-CB 3.46Å; T254-N258 VanDerWaalsContact O-CG 3.3Å; T254-N258 PolarHBondContact O-N 3.38Å; T254-N258 PolarHBondContact O-ND2 2.82Å |
| 255 | T | 90.4 | Very high | 89.5 | Confident | 60 Ų | 60 | 60 Ų | 60 | 37% | 0.368 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 174.2 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | L233 D252 G253 M257 N258 F259 | L233-T255 HydrophobicContact CD1-CG2 4.41Å; D252-T255 WeakPolarHBondContact O-CB 3.48Å; D252-T255 PolarHBondContact O-N 2.91Å; G253-T255 VanDerWaalsContact C-N 3.34Å; T255-M257 PolarHBondContact O-N 3.28Å; T255-N258 PolarHBondContact O-N 3.23Å; T255-F259 HydrophobicContact CG2-CD2 4.23Å; T255-F259 HydrophobicContact CG2-CE2 4.27Å; T255-F259 WeakPolarHBondContact O-CD2 3.15Å; T255-F259 PolarHBondContact O-N 3.4Å; T255-F259 VanDerWaalsContact O-N 3.1Å |
| 256 | L | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.1 | 179.3 | 57.7 | 0 | 0 | 0 | 111.8 | V2 P26 L233 L237 W250 D252 G253 N258 F259 I260 | V2-L256 HydrophobicContact CG1-CD2 3.33Å; V2-L256 WeakPolarHBondContact O-CD2 3.41Å; P26-L256 HydrophobicContact CG-CB 4.22Å; P26-L256 HydrophobicContact CG-CD2 3.99Å; P26-L256 HydrophobicContact CG-CG 4.09Å; L233-L256 HydrophobicContact CD1-CB 4.5Å; L233-L256 HydrophobicContact CD1-CD1 4.05Å; L237-L256 HydrophobicContact CD1-CD1 4.23Å; L237-L256 HydrophobicContact CD2-CB 4.01Å; W250-L256 HydrophobicContact CH2-CB 4.41Å; W250-L256 HydrophobicContact CH2-CD2 3.65Å; W250-L256 HydrophobicContact CZ3-CD2 4Å; D252-L256 PolarHBondContact O-N 2.85Å; G253-L256 PolarHBondContact O-N 2.94Å; L256-N258 VanDerWaalsContact C-N 3.34Å; L256-N258 PolarHBondContact O-N 3.37Å; L256-F259 PolarHBondContact O-N 2.84Å; L256-I260 HydrophobicContact CD1-CD1 4.14Å; L256-I260 HydrophobicContact CD1-CG1 4.15Å; L256-I260 HydrophobicContact CG-CD1 3.88Å; L256-I260 HydrophobicContact CG-CG1 4.35Å; L256-I260 VanDerWaalsContact O-CG1 3.3Å; L256-I260 WeakPolarHBondContact O-CG1 3.4Å; L256-I260 PolarHBondContact O-N 2.88Å |
| 257 | M | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.8 | -47.4 | 177.8 | 175.2 | 56.1 | 54.1 | 0 | 0 | 112.1 | P26 N41 I43 G253 T254 T255 F259 I260 K261 | P26-M257 HydrophobicContact CB-CE 3.55Å; P26-M257 HydrophobicContact CG-CB 4.32Å; P26-M257 HydrophobicContact CG-CE 4.11Å; N41-M257 WeakPolarHBondContact O-CE 3.33Å; I43-M257 HydrophobicContact CD1-CE 4.37Å; I43-M257 HydrophobicContact CD1-SD 3.52Å; I43-M257 VanDerWaalsContact CD1-SD 3.52Å; I43-M257 HydrophobicContact CG1-CE 4.36Å; I43-M257 HydrophobicContact CG1-SD 3.59Å; I43-M257 VanDerWaalsContact CG1-SD 3.59Å; G253-M257 WeakPolarHBondContact O-CB 3.07Å; G253-M257 PolarHBondContact O-N 3.33Å; T254-M257 PolarHBondContact O-N 3.45Å; T255-M257 PolarHBondContact O-N 3.28Å; M257-F259 VanDerWaalsContact C-N 3.32Å; M257-F259 PolarHBondContact O-N 2.92Å; M257-I260 PolarHBondContact O-N 3.19Å; M257-I260 VanDerWaalsContact O-N 3.14Å; M257-K261 HydrophobicContact CG-CD 4.49Å; M257-K261 WeakPolarHBondContact O-CG 3.49Å; M257-K261 PolarHBondContact O-N 2.94Å; M257-K261 HydrophobicContact SD-CD 4.37Å; M257-K261 HydrophobicContact SD-CG 4.14Å |
| 258 | N | 91.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.9 | -73.3 | -26.3 | 0 | 0 | 0 | 111.8 | T254 T255 L256 K261 A262 | T254-N258 WeakPolarHBondContact O-CB 3.46Å; T254-N258 VanDerWaalsContact O-CG 3.3Å; T254-N258 PolarHBondContact O-N 3.38Å; T254-N258 PolarHBondContact O-ND2 2.82Å; T255-N258 PolarHBondContact O-N 3.23Å; L256-N258 VanDerWaalsContact C-N 3.34Å; L256-N258 PolarHBondContact O-N 3.37Å; N258-K261 PolarHBondContact O-N 3.46Å; N258-A262 WeakPolarHBondContact O-CB 3.33Å; N258-A262 PolarHBondContact O-N 2.59Å |
| 259 | F | 92.2 | Very high | 91.6 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 173.9 | -89.6 | -99.7 | 0 | 0 | 0 | 112.7 | T229 V232 L233 T255 L256 M257 A262 T263 | T229-F259 HydrophobicContact CG2-CB 4.39Å; V232-F259 HydrophobicContact CG1-CD1 4.26Å; V232-F259 HydrophobicContact CG1-CE1 4.04Å; L233-F259 HydrophobicContact CD1-CB 3.83Å; L233-F259 HydrophobicContact CD1-CD1 4.33Å; L233-F259 HydrophobicContact CD1-CD2 3.84Å; L233-F259 HydrophobicContact CD1-CE2 4.5Å; L233-F259 HydrophobicContact CD1-CG 3.73Å; L233-F259 HydrophobicContact CD2-CD1 4.03Å; L233-F259 HydrophobicContact CD2-CD2 3.85Å; L233-F259 HydrophobicContact CD2-CE1 3.86Å; L233-F259 HydrophobicContact CD2-CE2 3.67Å; L233-F259 HydrophobicContact CD2-CG 4.02Å; L233-F259 HydrophobicContact CD2-CZ 3.67Å; L233-F259 HydrophobicContact CG-CD1 4.15Å; L233-F259 HydrophobicContact CG-CD2 4.26Å; L233-F259 HydrophobicContact CG-CE1 4.44Å; L233-F259 HydrophobicContact CG-CG 4.05Å; T255-F259 HydrophobicContact CG2-CD2 4.23Å; T255-F259 HydrophobicContact CG2-CE2 4.27Å; T255-F259 WeakPolarHBondContact O-CD2 3.15Å; T255-F259 PolarHBondContact O-N 3.4Å; T255-F259 VanDerWaalsContact O-N 3.1Å; L256-F259 PolarHBondContact O-N 2.84Å; M257-F259 VanDerWaalsContact C-N 3.32Å; M257-F259 PolarHBondContact O-N 2.92Å; F259-A262 PolarHBondContact O-N 3.43Å; F259-T263 WeakPolarHBondContact O-CB 3.45Å; F259-T263 PolarHBondContact O-N 3.25Å; F259-T263 VanDerWaalsContact O-N 3.11Å; F259-T263 PolarHBondContact O-OG1 2.84Å |
| 260 | I | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.8 | -59.5 | 163.8 | 0 | 0 | 0 | 110.7 | P26 I43 V225 T229 L256 M257 A262 T263 | P26-I260 HydrophobicContact CB-CD1 4.23Å; I43-I260 HydrophobicContact CD1-CB 3.66Å; I43-I260 HydrophobicContact CD1-CG2 3.23Å; V225-I260 HydrophobicContact CG1-CG2 3.88Å; V225-I260 HydrophobicContact CG2-CG2 3.86Å; T229-I260 HydrophobicContact CG2-CB 4.33Å; T229-I260 HydrophobicContact CG2-CG1 3.84Å; T229-I260 WeakPolarHBondContact OG1-CG1 3.33Å; L256-I260 HydrophobicContact CD1-CD1 4.14Å; L256-I260 HydrophobicContact CD1-CG1 4.15Å; L256-I260 HydrophobicContact CG-CD1 3.88Å; L256-I260 HydrophobicContact CG-CG1 4.35Å; L256-I260 VanDerWaalsContact O-CG1 3.3Å; L256-I260 WeakPolarHBondContact O-CG1 3.4Å; L256-I260 PolarHBondContact O-N 2.88Å; M257-I260 PolarHBondContact O-N 3.19Å; M257-I260 VanDerWaalsContact O-N 3.14Å; I260-A262 VanDerWaalsContact C-N 3.3Å; I260-A262 PolarHBondContact O-N 3.28Å; I260-T263 PolarHBondContact O-N 3.16Å; I260-T263 VanDerWaalsContact O-N 3.13Å |
| 261 | K | 93.2 | Very high | 92.1 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 10% | 0.1 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | 177.1 | -68.5 | -179.3 | -178.1 | 176.2 | 0 | 112.7 | L40 I43 M257 N258 T263 G276 | L40-K261 WeakPolarHBondContact O-CE 3.18Å; L40-K261 PolarHBondContact O-NZ 3.3Å; I43-K261 HydrophobicContact CD1-CG 3.68Å; I43-K261 HydrophobicContact CG1-CG 4.02Å; M257-K261 HydrophobicContact CG-CD 4.49Å; M257-K261 WeakPolarHBondContact O-CG 3.49Å; M257-K261 PolarHBondContact O-N 2.94Å; M257-K261 HydrophobicContact SD-CD 4.37Å; M257-K261 HydrophobicContact SD-CG 4.14Å; N258-K261 PolarHBondContact O-N 3.46Å; K261-T263 VanDerWaalsContact C-N 3.27Å; K261-T263 PolarHBondContact O-N 3.48Å; K261-G276 PolarHBondContact NZ-O 2.54Å |
| 262 | A | 92.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 31.7 Ų | 31.7 | 70% | 0.702 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -75.5 | -12 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N258 F259 I260 | N258-A262 WeakPolarHBondContact O-CB 3.33Å; N258-A262 PolarHBondContact O-N 2.59Å; F259-A262 PolarHBondContact O-N 3.43Å; I260-A262 VanDerWaalsContact C-N 3.3Å; I260-A262 PolarHBondContact O-N 3.28Å |
| 263 | T | 93.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | trans | -86.2 | 118.2 | -175.6 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | V225 K228 T229 F259 I260 K261 F265 | V225-T263 HydrophobicContact CG2-CG2 3.92Å; K228-T263 HydrophobicContact CD-CG2 3.91Å; T229-T263 HydrophobicContact CG2-CG2 4.41Å; T229-T263 WeakPolarHBondContact CG2-OG1 3.47Å; F259-T263 WeakPolarHBondContact O-CB 3.45Å; F259-T263 PolarHBondContact O-N 3.25Å; F259-T263 VanDerWaalsContact O-N 3.11Å; F259-T263 PolarHBondContact O-OG1 2.84Å; I260-T263 PolarHBondContact O-N 3.16Å; I260-T263 VanDerWaalsContact O-N 3.13Å; K261-T263 VanDerWaalsContact C-N 3.27Å; K261-T263 PolarHBondContact O-N 3.48Å; T263-F265 HydrophobicContact CG2-CD1 4.28Å | ||
| 264 | A | 94.2 | Very high | 93.1 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | trans | -101 | 144 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K228 I272 Q273 | K228-A264 PolarHBondContact NZ-O 3.15Å; A264-I272 WeakPolarHBondContact CA-O 3.43Å; A264-Q273 HydrophobicContact CB-CG 4.16Å | ||
| 265 | F | 94.5 | Very high | 93.1 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 163.5 | 174.4 | 69.8 | -73.7 | 0 | 0 | 0 | 112.8 | D221 K224 V225 T263 I272 | D221-F265 HydrophobicContact CB-CZ 4.33Å; D221-F265 WeakPolarHBondContact O-CZ 3.26Å; K224-F265 HydrophobicContact CB-CE2 4.3Å; K224-F265 HydrophobicContact CD-CD2 4.04Å; K224-F265 HydrophobicContact CD-CE2 3.78Å; K224-F265 HydrophobicContact CG-CD2 4.43Å; K224-F265 HydrophobicContact CG-CE2 4.08Å; V225-F265 HydrophobicContact CB-CD1 4.42Å; V225-F265 HydrophobicContact CB-CE1 3.53Å; V225-F265 HydrophobicContact CB-CZ 3.87Å; V225-F265 HydrophobicContact CG2-CD1 4.14Å; V225-F265 HydrophobicContact CG2-CE1 3.61Å; V225-F265 HydrophobicContact CG2-CZ 4.44Å; T263-F265 HydrophobicContact CG2-CD1 4.28Å; F265-I272 HydrophobicContact CD1-CB 4.22Å; F265-I272 HydrophobicContact CD1-CG2 4.39Å; F265-I272 HydrophobicContact CD2-CD1 4.35Å; F265-I272 HydrophobicContact CE1-CB 3.84Å; F265-I272 HydrophobicContact CE1-CD1 4Å; F265-I272 HydrophobicContact CE1-CG2 3.69Å; F265-I272 HydrophobicContact CE2-CD1 3.55Å; F265-I272 HydrophobicContact CZ-CB 4.11Å; F265-I272 HydrophobicContact CZ-CD1 3.36Å; F265-I272 HydrophobicContact CZ-CG1 4.36Å; F265-I272 HydrophobicContact CZ-CG2 4.12Å; F265-I272 PolarHBondContact N-O 2.9Å; F265-I272 VanDerWaalsContact N-O 3.16Å; F265-I272 PolarHBondContact O-N 2.98Å |
| 266 | E | 94.2 | Very high | 93 | Very high | 111 Ų | 111 | 33.4 Ų | 33.4 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 120.2 | 170 | -62.3 | -55.6 | 139.4 | 0 | 0 | 110.9 | K224 G270 H271 | K224-E266 PolarHBondContact NZ-O 2.88Å; E266-G270 VanDerWaalsContact OE2-C 3.27Å; E266-H271 IonicContact OE1-CE1 3.84Å; E266-H271 IonicContact OE1-CG 3.87Å; E266-H271 IonicContact OE1-ND1 3.62Å; E266-H271 PolarHBondContact OE1-ND1 3.25Å; E266-H271 WeakPolarHBondContact OE2-CA 3.39Å; E266-H271 PolarHBondContact OE2-N 3.07Å; E266-H271 VanDerWaalsContact OE2-N 3.15Å |
| 267 | G | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -168.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D221 G270 | D221-G267 WeakPolarHBondContact OD1-CA 3.11Å; G267-G270 PolarHBondContact N-O 3.23Å; G267-G270 PolarHBondContact O-N 3.28Å |
| 268 | S | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.7 | 169.6 | -61.9 | 0 | 0 | 0 | 0 | 112 | D180 I185 T186 M189 D221 | D180-S268 PolarHBondContact N-O 3.4Å; I185-S268 VanDerWaalsContact CG2-OG 3.28Å; I185-S268 WeakPolarHBondContact CG2-OG 3.46Å; T186-S268 WeakPolarHBondContact OG1-CA 3.38Å; T186-S268 PolarHBondContact OG1-O 2.93Å; M189-S268 WeakPolarHBondContact CE-OG 3.27Å; M189-S268 PolarHBondContact SD-OG 3.05Å; M189-S268 VanDerWaalsContact SD-OG 3.42Å; D221-S268 VanDerWaalsContact CG-N 3.34Å; D221-S268 PolarHBondContact OD1-N 2.84Å; D221-S268 PolarHBondContact OD2-N 3.47Å; D221-S268 VanDerWaalsContact OD2-N 3.1Å |
| 269 | T | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 24.6 | 176.4 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | L178 A217 V218 D221 R280 | L178-T269 HydrophobicContact CD2-CG2 4.35Å; L178-T269 HydrophobicContact CG-CG2 4.3Å; A217-T269 HydrophobicContact CB-CG2 3.78Å; V218-T269 HydrophobicContact CG2-CG2 3.77Å; D221-T269 WeakPolarHBondContact OD2-CB 3.5Å; D221-T269 WeakPolarHBondContact OD2-CG2 3.31Å; D221-T269 PolarHBondContact OD2-N 2.77Å; D221-T269 PolarHBondContact OD2-OG1 3.15Å; T269-R280 PolarHBondContact O-NH2 3.41Å; T269-R280 PolarHBondContact OG1-NH1 3.38Å; T269-R280 PolarHBondContact OG1-NH2 3.22Å |
| 270 | G | 93.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | -147.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E266 G267 I272 | E266-G270 VanDerWaalsContact OE2-C 3.27Å; G267-G270 PolarHBondContact N-O 3.23Å; G267-G270 PolarHBondContact O-N 3.28Å; G270-I272 PolarHBondContact O-N 3.49Å |
| 271 | H | 94.7 | Very high | 92.9 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 22% | 0.218 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.2 | -179.8 | -168.4 | 73.7 | 0 | 0 | 0 | 111.2 | E266 R280 N282 | E266-H271 IonicContact OE1-CE1 3.84Å; E266-H271 IonicContact OE1-CG 3.87Å; E266-H271 IonicContact OE1-ND1 3.62Å; E266-H271 PolarHBondContact OE1-ND1 3.25Å; E266-H271 WeakPolarHBondContact OE2-CA 3.39Å; E266-H271 PolarHBondContact OE2-N 3.07Å; E266-H271 VanDerWaalsContact OE2-N 3.15Å; H271-R280 PolarHBondContact O-NH2 2.82Å; H271-N282 PolarHBondContact CD2-O 3.07Å; H271-N282 VanDerWaalsContact CD2-O 3.26Å |
| 272 | I | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.9 | 179.6 | -62 | 156.5 | 0 | 0 | 0 | 108.8 | D221 A264 F265 G270 F274 | D221-I272 HydrophobicContact CB-CD1 3.63Å; D221-I272 WeakPolarHBondContact OD2-CD1 3.36Å; A264-I272 WeakPolarHBondContact CA-O 3.43Å; F265-I272 HydrophobicContact CD1-CB 4.22Å; F265-I272 HydrophobicContact CD1-CG2 4.39Å; F265-I272 HydrophobicContact CD2-CD1 4.35Å; F265-I272 HydrophobicContact CE1-CB 3.84Å; F265-I272 HydrophobicContact CE1-CD1 4Å; F265-I272 HydrophobicContact CE1-CG2 3.69Å; F265-I272 HydrophobicContact CE2-CD1 3.55Å; F265-I272 HydrophobicContact CZ-CB 4.11Å; F265-I272 HydrophobicContact CZ-CD1 3.36Å; F265-I272 HydrophobicContact CZ-CG1 4.36Å; F265-I272 HydrophobicContact CZ-CG2 4.12Å; F265-I272 PolarHBondContact N-O 2.9Å; F265-I272 VanDerWaalsContact N-O 3.16Å; F265-I272 PolarHBondContact O-N 2.98Å; G270-I272 PolarHBondContact O-N 3.49Å; I272-F274 HydrophobicContact CG2-CE1 4.05Å; I272-F274 HydrophobicContact CG2-CE2 3.84Å; I272-F274 HydrophobicContact CG2-CZ 3.41Å; I272-F274 VanDerWaalsContact CG2-CZ 3.41Å |
| 273 | Q | 94.5 | Very high | 92.9 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 145.3 | 177.5 | -162.2 | 180 | 7.8 | 0 | 0 | 109.6 | A264 R280 F281 N282 | A264-Q273 HydrophobicContact CB-CG 4.16Å; Q273-R280 WeakPolarHBondContact O-CA 3.4Å; Q273-F281 HydrophobicContact CB-CD1 4.38Å; Q273-F281 HydrophobicContact CB-CE1 4.02Å; Q273-F281 HydrophobicContact CB-CZ 4.35Å; Q273-F281 HydrophobicContact CG-CD1 4.34Å; Q273-F281 HydrophobicContact CG-CE1 3.51Å; Q273-F281 HydrophobicContact CG-CZ 3.64Å; Q273-F281 PolarHBondContact O-N 3.15Å; Q273-F281 VanDerWaalsContact O-N 3.09Å; Q273-N282 PolarHBondContact OE1-ND2 3.11Å |
| 274 | F | 93.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.3 | -177.3 | -49.1 | -73.6 | 0 | 0 | 0 | 111.6 | I43 L45 V225 I272 K279 R280 F281 | I43-F274 HydrophobicContact CG2-CD1 3.35Å; I43-F274 HydrophobicContact CG2-CD2 4.06Å; I43-F274 HydrophobicContact CG2-CE1 3.26Å; I43-F274 HydrophobicContact CG2-CE2 3.99Å; I43-F274 HydrophobicContact CG2-CG 3.76Å; I43-F274 HydrophobicContact CG2-CZ 3.59Å; L45-F274 HydrophobicContact CD1-CZ 4.29Å; L45-F274 HydrophobicContact CG-CE1 4.08Å; L45-F274 HydrophobicContact CG-CZ 3.9Å; V225-F274 HydrophobicContact CG2-CE2 4.43Å; I272-F274 HydrophobicContact CG2-CE1 4.05Å; I272-F274 HydrophobicContact CG2-CE2 3.84Å; I272-F274 HydrophobicContact CG2-CZ 3.41Å; I272-F274 VanDerWaalsContact CG2-CZ 3.41Å; F274-K279 WeakPolarHBondContact CA-O 3.4Å; F274-R280 HydrophobicContact CD1-CB 4.39Å; F274-R280 HydrophobicContact CE1-CB 4.5Å; F274-F281 WeakPolarHBondContact O-CE1 3.48Å |
| 275 | N | 90.5 | Very high | 93 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | trans | -78.5 | 176.8 | 172.6 | 69.8 | 12 | 0 | 0 | 0 | 111 | Y277 G278 K279 F281 | N275-Y277 PolarHBondContact O-N 2.98Å; N275-Y277 WeakPolarHBondContact OD1-CA 3.31Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.46Å; N275-Y277 PolarHBondContact OD1-N 3.29Å; N275-G278 PolarHBondContact O-N 3.06Å; N275-G278 PolarHBondContact OD1-N 2.98Å; N275-K279 PolarHBondContact N-O 3.4Å; N275-K279 PolarHBondContact OD1-N 2.95Å; N275-K279 PolarHBondContact OD1-O 3.07Å; N275-F281 HydrophobicContact CB-CD1 4.05Å; N275-F281 HydrophobicContact CB-CE1 4.31Å | ||
| 276 | G | 88.3 | Confident | 93 | Very high | 56 Ų | 56 | 33.5 Ų | 33.5 | 58% | 0.577 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K261 | K261-G276 PolarHBondContact NZ-O 2.54Š|
| 277 | Y | 88.8 | Confident | 93 | Very high | 135 Ų | 135 | 28.3 Ų | 28.3 | 53% | 0.529 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7 | 178.2 | -51.6 | -63.2 | 0 | 0 | 0 | 113.8 | L38 N275 K279 | L38-Y277 HydrophobicContact CD1-CD1 3.63Å; L38-Y277 HydrophobicContact CD1-CE1 4.23Å; L38-Y277 HydrophobicContact CD1-CG 4.02Å; L38-Y277 HydrophobicContact CD2-CD1 3.76Å; L38-Y277 HydrophobicContact CD2-CE1 3.94Å; L38-Y277 HydrophobicContact CG-CD1 4.1Å; N275-Y277 PolarHBondContact O-N 2.98Å; N275-Y277 WeakPolarHBondContact OD1-CA 3.31Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.46Å; N275-Y277 PolarHBondContact OD1-N 3.29Å; Y277-K279 VanDerWaalsContact C-N 3.29Å; Y277-K279 PolarHBondContact O-N 3.22Å |
| 278 | G | 90 | Very high | 93 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 74.1 | 13.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I43 N44 N275 | I43-G278 CarbonylContact C-O 3.52Å; I43-G278 WeakPolarHBondContact CA-O 3.32Å; N44-G278 PolarHBondContact N-O 3.43Å; N275-G278 PolarHBondContact O-N 3.06Å; N275-G278 PolarHBondContact OD1-N 2.98Å |
| 279 | K | 91 | Very high | 92.9 | Very high | 55 Ų | 55 | 29.5 Ų | 29.5 | 24% | 0.239 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -90 | 138.8 | 174.6 | -56.3 | -67 | -177.8 | 168.7 | 0 | 110.1 | D33 F274 N275 Y277 | D33-K279 IonicContact OD2-NZ 3.92Å; D33-K279 PolarHBondContact OD2-NZ 3.28Å; F274-K279 WeakPolarHBondContact CA-O 3.4Å; N275-K279 PolarHBondContact N-O 3.4Å; N275-K279 PolarHBondContact OD1-N 2.95Å; N275-K279 PolarHBondContact OD1-O 3.07Å; Y277-K279 VanDerWaalsContact C-N 3.29Å; Y277-K279 PolarHBondContact O-N 3.22Å |
| 280 | R | 93 | Very high | 92.7 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 135.6 | 174.5 | -169 | 175 | 178.8 | 173 | -2.4 | 110.9 | L45 P48 T269 H271 Q273 F274 F283 | L45-R280 WeakPolarHBondContact O-CD 3.38Å; L45-R280 PolarHBondContact O-NH1 2.87Å; P48-R280 WeakPolarHBondContact CD-O 3.18Å; P48-R280 WeakPolarHBondContact CG-O 3.47Å; T269-R280 PolarHBondContact O-NH2 3.41Å; T269-R280 PolarHBondContact OG1-NH1 3.38Å; T269-R280 PolarHBondContact OG1-NH2 3.22Å; H271-R280 PolarHBondContact O-NH2 2.82Å; Q273-R280 WeakPolarHBondContact O-CA 3.4Å; F274-R280 HydrophobicContact CD1-CB 4.39Å; F274-R280 HydrophobicContact CE1-CB 4.5Å; R280-F283 HydrophobicContact CB-CD1 4.47Å; R280-F283 HydrophobicContact CG-CB 4.38Å; R280-F283 HydrophobicContact CG-CD1 3.84Å; R280-F283 HydrophobicContact CG-CG 4.37Å |
| 281 | F | 93 | Very high | 92.3 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 172.4 | 173.2 | 77.7 | -76.7 | 0 | 0 | 0 | 109.8 | Q273 F274 N275 F283 | Q273-F281 HydrophobicContact CB-CD1 4.38Å; Q273-F281 HydrophobicContact CB-CE1 4.02Å; Q273-F281 HydrophobicContact CB-CZ 4.35Å; Q273-F281 HydrophobicContact CG-CD1 4.34Å; Q273-F281 HydrophobicContact CG-CE1 3.51Å; Q273-F281 HydrophobicContact CG-CZ 3.64Å; Q273-F281 PolarHBondContact O-N 3.15Å; Q273-F281 VanDerWaalsContact O-N 3.09Å; F274-F281 WeakPolarHBondContact O-CE1 3.48Å; N275-F281 HydrophobicContact CB-CD1 4.05Å; N275-F281 HydrophobicContact CB-CE1 4.31Å; F281-F283 VanDerWaalsContact C-N 3.26Å; F281-F283 PolarHBondContact O-N 3.22Å |
| 282 | N | 91.9 | Very high | 91.5 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 54 | 40.2 | 178.3 | -167.5 | 24.2 | 0 | 0 | 0 | 113.6 | H271 Q273 Y304 | H271-N282 PolarHBondContact CD2-O 3.07Å; H271-N282 VanDerWaalsContact CD2-O 3.26Å; Q273-N282 PolarHBondContact OE1-ND2 3.11Å; N282-Y304 HydrophobicContact CB-CE2 3.91Å; N282-Y304 WeakPolarHBondContact OD1-CE2 2.98Å |
| 283 | F | 94.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | trans | -107.7 | 162.7 | 177 | 61 | -87.7 | 0 | 0 | 0 | 110.4 | P47 A51 L178 R280 F281 V285 W301 | P47-F283 HydrophobicContact CB-CD2 4.08Å; P47-F283 HydrophobicContact CB-CE1 3.93Å; P47-F283 HydrophobicContact CB-CE2 3.37Å; P47-F283 HydrophobicContact CB-CZ 3.28Å; P47-F283 HydrophobicContact CG-CE2 4.39Å; A51-F283 HydrophobicContact CB-CE2 4.28Å; A51-F283 HydrophobicContact CB-CZ 3.65Å; L178-F283 HydrophobicContact CD1-CD2 4.24Å; R280-F283 HydrophobicContact CB-CD1 4.47Å; R280-F283 HydrophobicContact CG-CB 4.38Å; R280-F283 HydrophobicContact CG-CD1 3.84Å; R280-F283 HydrophobicContact CG-CG 4.37Å; F281-F283 VanDerWaalsContact C-N 3.26Å; F281-F283 PolarHBondContact O-N 3.22Å; F283-V285 HydrophobicContact CD2-CG2 3.96Å; F283-V285 HydrophobicContact CE2-CG2 3.77Å; F283-W301 HydrophobicContact CE2-CZ3 4.07Å; F283-W301 HydrophobicContact CZ-CZ3 4.27Å | ||
| 284 | T | 94.4 | Very high | 90.2 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 36% | 0.362 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.1 | 177.3 | 56.2 | 0 | 0 | 0 | 0 | 111 | W301 D302 | T284-W301 CarbonylContact C-O 3.42Å; T284-W301 VanDerWaalsContact CA-O 3.28Å; T284-W301 WeakPolarHBondContact CA-O 3.33Å; T284-D302 HydrophobicContact CG2-CB 4.25Å |
| 285 | V | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.5 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | V55 L176 L178 F283 Y300 W301 | V55-V285 HydrophobicContact CG1-CG1 4.28Å; V55-V285 HydrophobicContact CG2-CB 4.02Å; V55-V285 HydrophobicContact CG2-CG1 4.24Å; V55-V285 HydrophobicContact CG2-CG2 4.12Å; L176-V285 HydrophobicContact CB-CG1 4.29Å; L178-V285 HydrophobicContact CD1-CG2 4.43Å; F283-V285 HydrophobicContact CD2-CG2 3.96Å; F283-V285 HydrophobicContact CE2-CG2 3.77Å; V285-Y300 CarbonylContact O-C 3.45Å; V285-Y300 WeakPolarHBondContact O-CA 3.33Å; V285-W301 HydrophobicContact CG2-CE3 4.33Å; V285-W301 PolarHBondContact N-O 3.08Å; V285-W301 PolarHBondContact O-N 2.97Å |
| 286 | G | 94.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 133 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R177 | R177-G286 PolarHBondContact N-O 3.04Å; R177-G286 PolarHBondContact O-N 3.16Å |
| 287 | I | 95 | Very high | 90 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.4 | 170 | -59.8 | 169.5 | 0 | 0 | 0 | 107.1 | V55 F59 T174 L176 Q298 A299 I307 | V55-I287 HydrophobicContact CG1-CD1 4.07Å; V55-I287 HydrophobicContact CG1-CG1 4Å; F59-I287 HydrophobicContact CB-CD1 4.37Å; F59-I287 HydrophobicContact CD2-CD1 4.31Å; F59-I287 HydrophobicContact CD2-CG2 3.83Å; F59-I287 HydrophobicContact CE2-CG2 4.05Å; T174-I287 HydrophobicContact CG2-CG2 3.6Å; L176-I287 HydrophobicContact CD2-CG1 4.19Å; I287-Q298 PolarHBondContact O-N 3.39Å; I287-A299 HydrophobicContact CB-CB 4.27Å; I287-A299 HydrophobicContact CD1-CB 4.24Å; I287-A299 PolarHBondContact N-O 2.99Å; I287-A299 PolarHBondContact O-N 2.89Å; I287-I307 HydrophobicContact CD1-CD1 3.44Å; I287-I307 VanDerWaalsContact CD1-CD1 3.44Å; I287-I307 HydrophobicContact CD1-CG1 3.93Å |
| 288 | M | 92.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.9 | -173.4 | -48.7 | -60.3 | -64.1 | 0 | 0 | 109.4 | T174 T175 R177 Y295 V296 K297 | T174-M288 CarbonylContact C-O 3.56Å; T174-M288 VanDerWaalsContact CA-O 3.26Å; T174-M288 WeakPolarHBondContact CA-O 3.35Å; T175-M288 PolarHBondContact N-O 3.42Å; T175-M288 PolarHBondContact O-N 2.92Å; R177-M288 HydrophobicContact CB-CG 3.71Å; R177-M288 HydrophobicContact CB-SD 4.29Å; M288-Y295 HydrophobicContact CB-CD1 4.49Å; M288-V296 CarbonylContact C-O 3.56Å; M288-V296 WeakPolarHBondContact CA-O 3.48Å; M288-K297 HydrophobicContact CE-CB 3.8Å; M288-K297 HydrophobicContact SD-CB 3.67Å; M288-K297 HydrophobicContact SD-CG 3.81Å |
| 289 | E | 92.1 | Very high | 90 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.4 | 167.8 | -173.6 | -175.2 | 171.7 | 0 | 0 | 108.2 | T291 V296 Q298 | E289-T291 HydrophobicContact CG-CG2 4.42Å; E289-T291 PolarHBondContact O-N 3.3Å; E289-V296 PolarHBondContact N-O 2.85Å; E289-V296 PolarHBondContact O-N 2.98Å; E289-Q298 HydrophobicContact CB-CG 3.54Å; E289-Q298 WeakPolarHBondContact OE2-CG 3.18Å; E289-Q298 PolarHBondContact OE2-NE2 3.1Å |
| 290 | L | 90.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 118.3 | 171 | 176.3 | 60.4 | 0 | 0 | 0 | 107.8 | L163 M164 R167 I173 Y295 | L163-L290 VanDerWaalsContact C-CD2 3.46Å; L163-L290 HydrophobicContact CB-CD2 3.74Å; M164-L290 HydrophobicContact CG-CD1 4.12Å; M164-L290 HydrophobicContact CG-CD2 4.45Å; M164-L290 HydrophobicContact SD-CD1 3.71Å; M164-L290 HydrophobicContact SD-CD2 3.99Å; M164-L290 HydrophobicContact SD-CG 3.78Å; R167-L290 HydrophobicContact CB-CD2 3.87Å; R167-L290 WeakPolarHBondContact CD-O 2.89Å; R167-L290 PolarHBondContact NE-O 3.09Å; R167-L290 PolarHBondContact NH1-O 3.28Å; I173-L290 HydrophobicContact CB-CB 4.18Å; I173-L290 HydrophobicContact CB-CD2 4.42Å; I173-L290 HydrophobicContact CD1-CD2 4.36Å; I173-L290 HydrophobicContact CG2-CB 4.25Å; I173-L290 HydrophobicContact CG2-CD2 4.46Å; I173-L290 PolarHBondContact O-N 3.1Å; L290-Y295 HydrophobicContact CB-CD1 3.92Å; L290-Y295 HydrophobicContact CB-CE1 3.77Å; L290-Y295 HydrophobicContact CD1-CD1 4.01Å; L290-Y295 HydrophobicContact CD1-CD2 4.24Å; L290-Y295 HydrophobicContact CD1-CE1 3.89Å; L290-Y295 HydrophobicContact CD1-CE2 4.13Å; L290-Y295 HydrophobicContact CD1-CG 4.19Å; L290-Y295 HydrophobicContact CD2-CE1 4.46Å; L290-Y295 HydrophobicContact CG-CE1 4.26Å |
| 291 | T | 85.7 | Confident | 90.2 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 176.5 | 176.3 | 71.6 | 0 | 0 | 0 | 0 | 111.3 | E289 N293 G294 V296 | E289-T291 HydrophobicContact CG-CG2 4.42Å; E289-T291 PolarHBondContact O-N 3.3Å; T291-N293 PolarHBondContact O-N 3.26Å; T291-N293 VanDerWaalsContact O-N 3.13Å; T291-N293 PolarHBondContact OG1-N 3.39Å; T291-G294 PolarHBondContact N-O 3.21Å; T291-G294 PolarHBondContact O-N 3.43Å; T291-G294 PolarHBondContact OG1-O 3.35Å; T291-V296 HydrophobicContact CG2-CB 4.05Å; T291-V296 HydrophobicContact CG2-CG2 3.91Å; T291-V296 WeakPolarHBondContact OG1-CG2 3.35Å |
| 292 | L | 77.7 | Confident | 90.1 | Very high | 131 Ų | 131 | 36 Ų | 36 | 69% | 0.686 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.7 | 170.8 | -70.3 | 170.7 | 0 | 0 | 0 | 113.1 | M164 G294 | M164-L292 HydrophobicContact CE-CD2 4.03Å; L292-G294 VanDerWaalsContact C-N 3.31Å |
| 293 | N | 77.7 | Confident | 89.9 | Confident | 154 Ų | 154 | 38.5 Ų | 38.5 | 82% | 0.824 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 12.8 | 176.7 | -62.6 | -20.7 | 0 | 0 | 0 | 112.5 | T291 | T291-N293 PolarHBondContact O-N 3.26Å; T291-N293 VanDerWaalsContact O-N 3.13Å; T291-N293 PolarHBondContact OG1-N 3.39Å |
| 294 | G | 83.3 | Confident | 89.6 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 25% | 0.247 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.5 | -165.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T291 L292 V296 | T291-G294 PolarHBondContact N-O 3.21Å; T291-G294 PolarHBondContact O-N 3.43Å; T291-G294 PolarHBondContact OG1-O 3.35Å; L292-G294 VanDerWaalsContact C-N 3.31Å; G294-V296 PolarHBondContact O-N 3.45Å |
| 295 | Y | 88.6 | Confident | 89.2 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 21% | 0.212 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 115.6 | -178 | -64.6 | -78.3 | 0 | 0 | 0 | 111.9 | A158 Y159 V161 L163 T175 M288 L290 | A158-Y295 PolarHBondContact O-OH 2.99Å; Y159-Y295 WeakPolarHBondContact O-CD2 3.31Å; Y159-Y295 WeakPolarHBondContact O-CE2 3.44Å; V161-Y295 WeakPolarHBondContact O-CE2 3.45Å; V161-Y295 PolarHBondContact O-OH 3.26Å; L163-Y295 WeakPolarHBondContact CD1-OH 3.32Å; L163-Y295 VanDerWaalsContact CG-OH 3.27Å; L163-Y295 WeakPolarHBondContact CG-OH 3.44Å; T175-Y295 HydrophobicContact CG2-CE1 3.85Å; M288-Y295 HydrophobicContact CB-CD1 4.49Å; L290-Y295 HydrophobicContact CB-CD1 3.92Å; L290-Y295 HydrophobicContact CB-CE1 3.77Å; L290-Y295 HydrophobicContact CD1-CD1 4.01Å; L290-Y295 HydrophobicContact CD1-CD2 4.24Å; L290-Y295 HydrophobicContact CD1-CE1 3.89Å; L290-Y295 HydrophobicContact CD1-CE2 4.13Å; L290-Y295 HydrophobicContact CD1-CG 4.19Å; L290-Y295 HydrophobicContact CD2-CE1 4.46Å; L290-Y295 HydrophobicContact CG-CE1 4.26Å |
| 296 | V | 88.7 | Confident | 88.9 | Confident | 42 Ų | 42 | 49.1 Ų | 49.1 | 26% | 0.255 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.7 | 179 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | M288 E289 T291 G294 Q298 | M288-V296 CarbonylContact C-O 3.56Å; M288-V296 WeakPolarHBondContact CA-O 3.48Å; E289-V296 PolarHBondContact N-O 2.85Å; E289-V296 PolarHBondContact O-N 2.98Å; T291-V296 HydrophobicContact CG2-CB 4.05Å; T291-V296 HydrophobicContact CG2-CG2 3.91Å; T291-V296 WeakPolarHBondContact OG1-CG2 3.35Å; G294-V296 PolarHBondContact O-N 3.45Å; V296-Q298 PolarHBondContact O-N 2.77Å |
| 297 | K | 90.3 | Very high | 88.7 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 113.6 | 176.7 | -166.6 | -179.2 | -62.4 | 174.4 | 0 | 109.3 | D180 D181 M288 L310 | D180-K297 IonicContact OD1-NZ 3.65Å; D181-K297 WeakPolarHBondContact OD1-CE 3.39Å; D181-K297 IonicContact OD1-NZ 2.71Å; D181-K297 PolarHBondContact OD1-NZ 3.4Å; M288-K297 HydrophobicContact CE-CB 3.8Å; M288-K297 HydrophobicContact SD-CB 3.67Å; M288-K297 HydrophobicContact SD-CG 3.81Å; K297-L310 HydrophobicContact CB-CD1 4.47Å; K297-L310 HydrophobicContact CD-CD1 4.03Å; K297-L310 HydrophobicContact CG-CD1 3.96Å |
| 298 | Q | 87.8 | Confident | 88.4 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -32.7 | -179.3 | -68.1 | -64.9 | 2.2 | 0 | 0 | 112.7 | I287 E289 V296 L310 Y313 | I287-Q298 PolarHBondContact O-N 3.39Å; E289-Q298 HydrophobicContact CB-CG 3.54Å; E289-Q298 WeakPolarHBondContact OE2-CG 3.18Å; E289-Q298 PolarHBondContact OE2-NE2 3.1Å; V296-Q298 PolarHBondContact O-N 2.77Å; Q298-L310 WeakPolarHBondContact O-CB 3.44Å; Q298-L310 PolarHBondContact O-N 3.42Å; Q298-Y313 HydrophobicContact CB-CE1 4.47Å |
| 299 | A | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 164.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I287 I307 R308 | I287-A299 HydrophobicContact CB-CB 4.27Å; I287-A299 HydrophobicContact CD1-CB 4.24Å; I287-A299 PolarHBondContact N-O 2.99Å; I287-A299 PolarHBondContact O-N 2.89Å; A299-I307 HydrophobicContact CB-CD1 4.06Å; A299-I307 HydrophobicContact CB-CG1 3.8Å; A299-R308 VanDerWaalsContact CA-O 3.25Å; A299-R308 WeakPolarHBondContact CA-O 3.24Å; A299-R308 VanDerWaalsContact CB-O 3.31Å; A299-R308 WeakPolarHBondContact CB-O 3.26Å |
| 300 | Y | 92.3 | Very high | 87.2 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.9 | 167.2 | 48.4 | -77.5 | 0 | 0 | 0 | 108.3 | V285 R308 L310 | V285-Y300 CarbonylContact O-C 3.45Å; V285-Y300 WeakPolarHBondContact O-CA 3.33Å; Y300-R308 HydrophobicContact CD1-CB 4.29Å; Y300-R308 WeakPolarHBondContact CD1-O 3.35Å; Y300-R308 HydrophobicContact CD2-CB 3.78Å; Y300-R308 HydrophobicContact CD2-CG 4.28Å; Y300-R308 HydrophobicContact CE1-CB 3.83Å; Y300-R308 HydrophobicContact CE2-CB 3.35Å; Y300-R308 VanDerWaalsContact CE2-CD 3.45Å; Y300-R308 HydrophobicContact CE2-CG 3.74Å; Y300-R308 HydrophobicContact CG-CB 4.25Å; Y300-R308 PolarHBondContact N-O 3.07Å; Y300-R308 PolarHBondContact O-N 2.92Å; Y300-R308 WeakPolarHBondContact OH-CD 3.04Å; Y300-L310 HydrophobicContact CD1-CD1 3.95Å; Y300-L310 HydrophobicContact CD1-CD2 3.98Å; Y300-L310 HydrophobicContact CD1-CG 3.73Å; Y300-L310 HydrophobicContact CE1-CD1 4.27Å; Y300-L310 HydrophobicContact CE1-CD2 3.43Å; Y300-L310 VanDerWaalsContact CE1-CD2 3.43Å; Y300-L310 HydrophobicContact CE1-CG 3.6Å |
| 301 | W | 94.9 | Very high | 85.8 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 5% | 0.053 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.5 | 175.1 | 179.3 | 92.7 | 0 | 0 | 0 | 109.1 | A51 S54 V55 S58 F283 T284 V285 E303 G306 | A51-W301 HydrophobicContact CB-CH2 4.2Å; A51-W301 HydrophobicContact CB-CZ3 4.29Å; S54-W301 VanDerWaalsContact CB-CZ2 3.48Å; V55-W301 HydrophobicContact CB-CD2 4.33Å; V55-W301 HydrophobicContact CB-CG 4.25Å; V55-W301 HydrophobicContact CG1-CB 4.22Å; V55-W301 HydrophobicContact CG1-CG 4.4Å; V55-W301 HydrophobicContact CG2-CB 4.03Å; V55-W301 HydrophobicContact CG2-CD2 3.38Å; V55-W301 HydrophobicContact CG2-CE3 3.39Å; V55-W301 HydrophobicContact CG2-CG 3.67Å; V55-W301 HydrophobicContact CG2-CZ3 4.03Å; S58-W301 PolarHBondContact OG-NE1 2.77Å; S58-W301 VanDerWaalsContact OG-NE1 3.15Å; F283-W301 HydrophobicContact CE2-CZ3 4.07Å; F283-W301 HydrophobicContact CZ-CZ3 4.27Å; T284-W301 CarbonylContact C-O 3.42Å; T284-W301 VanDerWaalsContact CA-O 3.28Å; T284-W301 WeakPolarHBondContact CA-O 3.33Å; V285-W301 HydrophobicContact CG2-CE3 4.33Å; V285-W301 PolarHBondContact N-O 3.08Å; V285-W301 PolarHBondContact O-N 2.97Å; W301-E303 HydrophobicContact CH2-CB 4.16Å; W301-G306 WeakPolarHBondContact CA-O 3.45Å |
| 302 | D | 92.5 | Very high | 84.1 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157 | 168.1 | 70.4 | 70.6 | 0 | 0 | 0 | 110.2 | T284 Y304 Q305 G306 R308 | T284-D302 HydrophobicContact CG2-CB 4.25Å; D302-Y304 PolarHBondContact O-N 3.43Å; D302-Y304 PolarHBondContact OD1-N 3.03Å; D302-Y304 VanDerWaalsContact OD1-N 3.1Å; D302-Q305 WeakPolarHBondContact OD1-CB 3.17Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.38Å; D302-Q305 PolarHBondContact OD1-N 3.22Å; D302-G306 PolarHBondContact N-O 3.18Å; D302-G306 VanDerWaalsContact N-O 3.09Å; D302-G306 WeakPolarHBondContact O-CA 3.25Å; D302-G306 PolarHBondContact O-N 2.98Å; D302-R308 IonicContact OD2-NH1 2.7Å |
| 303 | E | 86.9 | Confident | 82.8 | Confident | 106 Ų | 106 | 64.8 Ų | 64.8 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.2 | -173.4 | -174 | 174.7 | -172.8 | 0 | 0 | 113.3 | W301 | W301-E303 HydrophobicContact CH2-CB 4.16Š|
| 304 | Y | 87.9 | Confident | 81.1 | Confident | 149 Ų | 149 | 60.7 Ų | 60.7 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -36.8 | -173.1 | -60.7 | -74.6 | 0 | 0 | 0 | 113 | N282 D302 | N282-Y304 HydrophobicContact CB-CE2 3.91Å; N282-Y304 WeakPolarHBondContact OD1-CE2 2.98Å; D302-Y304 PolarHBondContact O-N 3.43Å; D302-Y304 PolarHBondContact OD1-N 3.03Å; D302-Y304 VanDerWaalsContact OD1-N 3.1Å |
| 305 | Q | 86.9 | Confident | 78.9 | Confident | 118 Ų | 118 | 63.6 Ų | 63.6 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -9.1 | -172 | -51.6 | -143.1 | 0.5 | 0 | 0 | 113.2 | D302 R308 | D302-Q305 WeakPolarHBondContact OD1-CB 3.17Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.38Å; D302-Q305 PolarHBondContact OD1-N 3.22Å; Q305-R308 VanDerWaalsContact CD-CZ 3.4Å |
| 306 | G | 89.1 | Confident | 76.6 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.8 | -136.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111 | W301 D302 | W301-G306 WeakPolarHBondContact CA-O 3.45Å; D302-G306 PolarHBondContact N-O 3.18Å; D302-G306 VanDerWaalsContact N-O 3.09Å; D302-G306 WeakPolarHBondContact O-CA 3.25Å; D302-G306 PolarHBondContact O-N 2.98Å |
| 307 | I | 90.3 | Very high | 74.5 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 119.6 | -174.2 | -164.9 | 170.4 | 0 | 0 | 0 | 112.4 | F59 K62 I287 A299 Y313 | F59-I307 HydrophobicContact CB-CD1 4.33Å; F59-I307 HydrophobicContact CD2-CD1 4.41Å; K62-I307 HydrophobicContact CB-CD1 4.48Å; K62-I307 HydrophobicContact CB-CG2 4.05Å; K62-I307 HydrophobicContact CD-CG2 4.44Å; K62-I307 HydrophobicContact CG-CG2 4.2Å; I287-I307 HydrophobicContact CD1-CD1 3.44Å; I287-I307 VanDerWaalsContact CD1-CD1 3.44Å; I287-I307 HydrophobicContact CD1-CG1 3.93Å; A299-I307 HydrophobicContact CB-CD1 4.06Å; A299-I307 HydrophobicContact CB-CG1 3.8Å; I307-Y313 HydrophobicContact CD1-CE2 4.27Å; I307-Y313 WeakPolarHBondContact CD1-OH 3.3Å |
| 308 | R | 87.9 | Confident | 72.2 | Confident | 93 Ų | 93 | 72.1 Ų | 72.1 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.9 | 169.7 | -62.2 | -150.6 | -165.7 | 139.2 | -36.4 | 110.5 | A299 Y300 D302 Q305 | A299-R308 VanDerWaalsContact CA-O 3.25Å; A299-R308 WeakPolarHBondContact CA-O 3.24Å; A299-R308 VanDerWaalsContact CB-O 3.31Å; A299-R308 WeakPolarHBondContact CB-O 3.26Å; Y300-R308 HydrophobicContact CD1-CB 4.29Å; Y300-R308 WeakPolarHBondContact CD1-O 3.35Å; Y300-R308 HydrophobicContact CD2-CB 3.78Å; Y300-R308 HydrophobicContact CD2-CG 4.28Å; Y300-R308 HydrophobicContact CE1-CB 3.83Å; Y300-R308 HydrophobicContact CE2-CB 3.35Å; Y300-R308 VanDerWaalsContact CE2-CD 3.45Å; Y300-R308 HydrophobicContact CE2-CG 3.74Å; Y300-R308 HydrophobicContact CG-CB 4.25Å; Y300-R308 PolarHBondContact N-O 3.07Å; Y300-R308 PolarHBondContact O-N 2.92Å; Y300-R308 WeakPolarHBondContact OH-CD 3.04Å; D302-R308 IonicContact OD2-NH1 2.7Å; Q305-R308 VanDerWaalsContact CD-CZ 3.4Å |
| 309 | V | 80.9 | Confident | 70 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.6 | -174 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | K62 K311 Y313 | K62-V309 HydrophobicContact CG-CG2 4.29Å; V309-K311 WeakPolarHBondContact CG1-O 3.2Å; V309-Y313 HydrophobicContact CG1-CD2 4.12Å; V309-Y313 HydrophobicContact CG1-CE2 4.12Å; V309-Y313 HydrophobicContact CG2-CD2 4.03Å; V309-Y313 HydrophobicContact CG2-CE2 3.61Å |
| 310 | L | 80.3 | Confident | 67.9 | Low | 96 Ų | 96 | 80 Ų | 80 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -79.7 | -32.2 | 176.2 | -70.7 | 165.9 | 0 | 0 | 0 | 111.8 | K297 Q298 Y300 | K297-L310 HydrophobicContact CB-CD1 4.47Å; K297-L310 HydrophobicContact CD-CD1 4.03Å; K297-L310 HydrophobicContact CG-CD1 3.96Å; Q298-L310 WeakPolarHBondContact O-CB 3.44Å; Q298-L310 PolarHBondContact O-N 3.42Å; Y300-L310 HydrophobicContact CD1-CD1 3.95Å; Y300-L310 HydrophobicContact CD1-CD2 3.98Å; Y300-L310 HydrophobicContact CD1-CG 3.73Å; Y300-L310 HydrophobicContact CE1-CD1 4.27Å; Y300-L310 HydrophobicContact CE1-CD2 3.43Å; Y300-L310 VanDerWaalsContact CE1-CD2 3.43Å; Y300-L310 HydrophobicContact CE1-CG 3.6Å |
| 311 | K | 61.3 | Low | 66.1 | Low | 128 Ų | 128 | 79.2 Ų | 79.2 | 56% | 0.557 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -139.7 | 126.5 | 175.7 | -70.3 | -178.9 | 178.9 | 177.8 | 0 | 109.3 | V309 Y313 | V309-K311 WeakPolarHBondContact CG1-O 3.2Å; K311-Y313 PolarHBondContact O-N 2.8Å |
| 312 | S | 49.4 | Very low | 64.8 | Low | 80 Ų | 80 | 81.7 Ų | 81.7 | 56% | 0.559 | 42% | 0.424 | S | S | * | . | trans | -50 | 124.9 | -177.9 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | S314 T315 | S312-S314 PolarHBondContact O-N 2.93Å; S312-S314 WeakPolarHBondContact OG-CB 3.26Å; S312-T315 PolarHBondContact O-N 2.68Å; S312-T315 PolarHBondContact O-OG1 2.92Å | ||
| 313 | Y | 48.9 | Very low | 64.2 | Low | 45 Ų | 45 | 81.2 Ų | 81.2 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -53 | -21.8 | 175.3 | -73.8 | -74.9 | 0 | 0 | 0 | 113.2 | F59 K62 Q298 I307 V309 K311 T315 A316 | F59-Y313 HydrophobicContact CD2-CE1 4.22Å; F59-Y313 AromaticContact CD2-CZ 3.96Å; F59-Y313 WeakPolarHBondContact CD2-OH 3.48Å; F59-Y313 AromaticContact CE2-CE1 3.54Å; F59-Y313 HydrophobicContact CE2-CE1 3.54Å; F59-Y313 AromaticContact CE2-CZ 3.76Å; F59-Y313 HydrophobicContact CZ-CE1 4.34Å; K62-Y313 HydrophobicContact CG-CD2 4.02Å; K62-Y313 HydrophobicContact CG-CE2 3.96Å; Q298-Y313 HydrophobicContact CB-CE1 4.47Å; I307-Y313 HydrophobicContact CD1-CE2 4.27Å; I307-Y313 WeakPolarHBondContact CD1-OH 3.3Å; V309-Y313 HydrophobicContact CG1-CD2 4.12Å; V309-Y313 HydrophobicContact CG1-CE2 4.12Å; V309-Y313 HydrophobicContact CG2-CD2 4.03Å; V309-Y313 HydrophobicContact CG2-CE2 3.61Å; K311-Y313 PolarHBondContact O-N 2.8Å; Y313-T315 VanDerWaalsContact C-N 3.28Å; Y313-T315 PolarHBondContact O-N 2.68Å; Y313-A316 PolarHBondContact O-N 2.7Å |
| 314 | S | 42.5 | Very low | 63.9 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.8 | -36.2 | 174.4 | 172.1 | 0 | 0 | 0 | 0 | 113.4 | S312 | S312-S314 PolarHBondContact O-N 2.93Å; S312-S314 WeakPolarHBondContact OG-CB 3.26Å |
| 315 | T | 38 | Very low | 63.4 | Low | 84 Ų | 84 | 82 Ų | 82 | 52% | 0.515 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76.7 | -24.8 | -176.7 | 19.7 | 0 | 0 | 0 | 0 | 112.8 | S312 Y313 L318 I319 | S312-T315 PolarHBondContact O-N 2.68Å; S312-T315 PolarHBondContact O-OG1 2.92Å; Y313-T315 VanDerWaalsContact C-N 3.28Å; Y313-T315 PolarHBondContact O-N 2.68Å; T315-L318 CarbonylContact O-C 3.57Å; T315-L318 WeakPolarHBondContact O-CA 3.41Å; T315-L318 WeakPolarHBondContact O-CB 3.41Å; T315-L318 PolarHBondContact O-N 2.87Å; T315-I319 PolarHBondContact O-N 2.81Å |
| 316 | A | 40.5 | Very low | 63.3 | Low | 37 Ų | 37 | 79.5 Ų | 79.5 | 31% | 0.306 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.2 | -32.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y313 L318 | Y313-A316 PolarHBondContact O-N 2.7Å; A316-L318 PolarHBondContact O-N 3.14Å |
| 317 | K | 44.2 | Very low | 63.4 | Low | 183 Ų | 183 | 84.9 Ų | 84.9 | 80% | 0.796 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14 | 167.3 | -79.1 | -173.4 | 175.5 | -179 | 0 | 113.4 | ||
| 318 | L | 40.9 | Very low | 63.5 | Low | 112 Ų | 112 | 83.7 Ų | 83.7 | 59% | 0.586 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 4.1 | -173.6 | -106 | 158.5 | 0 | 0 | 0 | 113.9 | T315 A316 P320 | T315-L318 CarbonylContact O-C 3.57Å; T315-L318 WeakPolarHBondContact O-CA 3.41Å; T315-L318 WeakPolarHBondContact O-CB 3.41Å; T315-L318 PolarHBondContact O-N 2.87Å; A316-L318 PolarHBondContact O-N 3.14Å; L318-P320 VanDerWaalsContact C-N 3.31Å; L318-P320 WeakPolarHBondContact O-CD 3.4Å |
| 319 | I | 43.3 | Very low | 63.9 | Low | 133 Ų | 133 | 83.6 Ų | 83.6 | 68% | 0.682 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -82.9 | 93.4 | 150.2 | -53.3 | 177.2 | 0 | 0 | 0 | 102.6 | T315 E321 | T315-I319 PolarHBondContact O-N 2.81Å; I319-E321 PolarHBondContact O-N 2.83Å |
| 320 | P | 46.2 | Very low | 64.7 | Low | 54 Ų | 54 | 81.3 Ų | 81.3 | 35% | 0.351 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 119 | 176.9 | -5.9 | 25.1 | 0 | 0 | 0 | 103.6 | L318 S322 T669 | L318-P320 VanDerWaalsContact C-N 3.31Å; L318-P320 WeakPolarHBondContact O-CD 3.4Å; P320-S322 PolarHBondContact O-N 2.97Å; P320-T669 WeakPolarHBondContact CB-OG1 3.35Å |
| 321 | E | 56.5 | Low | 65.5 | Low | 53 Ų | 53 | 76.8 Ų | 76.8 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -47.5 | 121.8 | 176.6 | -98 | -160.1 | 146.3 | 0 | 0 | 107 | P147 G170 I319 L323 Y666 | P147-E321 WeakPolarHBondContact CB-OE2 3.47Å; P147-E321 WeakPolarHBondContact CG-OE2 3.46Å; G170-E321 WeakPolarHBondContact CA-OE1 3.33Å; I319-E321 PolarHBondContact O-N 2.83Å; E321-L323 PolarHBondContact O-N 2.59Å; E321-Y666 HydrophobicContact CB-CE1 4.07Å; E321-Y666 PolarHBondContact OE2-OH 2.97Å |
| 322 | S | 67.3 | Low | 67.1 | Low | 67 Ų | 67 | 70.7 Ų | 70.7 | 47% | 0.469 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 116.8 | -171.6 | -158.2 | 0 | 0 | 0 | 0 | 107.6 | P320 K324 | P320-S322 PolarHBondContact O-N 2.97Å; S322-K324 PolarHBondContact O-N 2.84Å; S322-K324 WeakPolarHBondContact OG-CB 3.3Å; S322-K324 WeakPolarHBondContact OG-CD 3.29Å; S322-K324 WeakPolarHBondContact OG-CG 3.35Å |
| 323 | L | 79.9 | Confident | 69.2 | Low | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | trans | -57.6 | -16.4 | 169.7 | -87.4 | 155.4 | 0 | 0 | 0 | 111.5 | E321 H325 K326 L328 N369 F371 Y666 T669 I670 | E321-L323 PolarHBondContact O-N 2.59Å; L323-H325 PolarHBondContact O-N 3.41Å; L323-K326 WeakPolarHBondContact O-CB 3.5Å; L323-K326 PolarHBondContact O-N 2.83Å; L323-L328 HydrophobicContact CD2-CD1 3.75Å; L323-L328 HydrophobicContact CD2-CG 4.46Å; L323-N369 HydrophobicContact CB-CB 3.94Å; L323-N369 HydrophobicContact CD1-CB 4.15Å; L323-F371 HydrophobicContact CB-CB 4.38Å; L323-F371 HydrophobicContact CB-CD1 4.17Å; L323-F371 HydrophobicContact CD2-CD1 4.05Å; L323-F371 HydrophobicContact CD2-CG 4.37Å; L323-F371 WeakPolarHBondContact O-CB 3.33Å; L323-Y666 HydrophobicContact CD1-CD1 4.36Å; L323-Y666 HydrophobicContact CD2-CD1 3.75Å; L323-Y666 HydrophobicContact CD2-CD2 4.17Å; L323-Y666 HydrophobicContact CD2-CE1 4.23Å; L323-Y666 HydrophobicContact CD2-CG 3.74Å; L323-Y666 HydrophobicContact CG-CD1 3.7Å; L323-Y666 HydrophobicContact CG-CE1 4.28Å; L323-Y666 HydrophobicContact CG-CG 4.1Å; L323-T669 HydrophobicContact CD1-CG2 3.68Å; L323-I670 HydrophobicContact CD1-CG1 4.09Å | ||
| 324 | K | 79.8 | Confident | 71.2 | Confident | 111 Ų | 111 | 68.3 Ų | 68.3 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 124.4 | -179.7 | -68 | -177 | -179 | 174.5 | 0 | 112 | S322 K326 N369 K370 | S322-K324 PolarHBondContact O-N 2.84Å; S322-K324 WeakPolarHBondContact OG-CB 3.3Å; S322-K324 WeakPolarHBondContact OG-CD 3.29Å; S322-K324 WeakPolarHBondContact OG-CG 3.35Å; K324-K326 PolarHBondContact O-N 3.25Å; K324-N369 WeakPolarHBondContact CA-O 3.44Å; K324-N369 WeakPolarHBondContact CG-O 3.49Å; K324-N369 PolarHBondContact N-O 2.89Å; K324-K370 CarbonylContact C-O 3.57Å; K324-K370 WeakPolarHBondContact CA-O 3.33Å; K324-K370 HydrophobicContact CG-CB 4.17Å |
| 325 | H | 78.2 | Confident | 73.4 | Confident | 160 Ų | 160 | 66.4 Ų | 66.4 | 74% | 0.741 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 12.7 | 178.1 | -41 | 135.4 | 0 | 0 | 0 | 115.5 | L323 K370 | L323-H325 PolarHBondContact O-N 3.41Å; H325-K370 PolarHBondContact N-O 3.02Å |
| 326 | K | 84.2 | Confident | 75.9 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | trans | -76.7 | 151.5 | 168.5 | -65.3 | -67.5 | -174.6 | 175.4 | 0 | 109.9 | L323 K324 F371 N372 | L323-K326 WeakPolarHBondContact O-CB 3.5Å; L323-K326 PolarHBondContact O-N 2.83Å; K324-K326 PolarHBondContact O-N 3.25Å; K326-F371 WeakPolarHBondContact O-CB 3.26Å; K326-N372 PolarHBondContact O-N 3.33Å | ||
| 327 | E | 90.2 | Very high | 78.4 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 113.6 | 172.3 | -167.3 | 176.7 | 171.4 | 0 | 0 | 109.4 | N372 T374 | E327-N372 CarbonylContact C-O 3.59Å; E327-N372 VanDerWaalsContact CA-O 3.23Å; E327-N372 WeakPolarHBondContact CA-O 3.35Å; E327-N372 HydrophobicContact CG-CB 4.4Å; E327-T374 WeakPolarHBondContact OE1-CG2 3.12Å |
| 328 | L | 93.7 | Very high | 80.8 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.6 | -178.8 | -61 | -173.7 | 0 | 0 | 0 | 111.6 | L323 F371 N372 Y373 T374 D405 I406 Y666 | L323-L328 HydrophobicContact CD2-CD1 3.75Å; L323-L328 HydrophobicContact CD2-CG 4.46Å; L328-F371 HydrophobicContact CB-CD2 4.44Å; L328-F371 HydrophobicContact CD1-CD2 3.96Å; L328-F371 HydrophobicContact CD1-CE2 3.96Å; L328-F371 HydrophobicContact CD1-CG 4.39Å; L328-F371 HydrophobicContact CD1-CZ 4.35Å; L328-F371 HydrophobicContact CG-CD2 4.12Å; L328-F371 HydrophobicContact CG-CE2 4.47Å; L328-N372 PolarHBondContact N-O 3.21Å; L328-Y373 CarbonylContact O-C 3.59Å; L328-Y373 WeakPolarHBondContact O-CA 3.37Å; L328-Y373 WeakPolarHBondContact O-CB 3.24Å; L328-T374 PolarHBondContact O-N 3.38Å; L328-D405 HydrophobicContact CD2-CB 4.23Å; L328-I406 HydrophobicContact CD1-CD1 4.13Å; L328-I406 HydrophobicContact CD1-CG2 4.39Å; L328-Y666 HydrophobicContact CD2-CD2 4.35Å; L328-Y666 HydrophobicContact CD2-CE2 4.1Å |
| 329 | R | 95.1 | Very high | 83.4 | Confident | 91 Ų | 91 | 50 Ų | 50 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.9 | 172.6 | -61 | 165.7 | -64.5 | 157.4 | 6.1 | 109.5 | G402 E403 D405 I406 | R329-G402 VanDerWaalsContact CZ-O 3.28Å; R329-G402 PolarHBondContact NH1-O 3.36Å; R329-G402 PolarHBondContact NH2-O 2.78Å; R329-E403 PolarHBondContact NH1-O 2.77Å; R329-D405 WeakPolarHBondContact CB-OD2 3.49Å; R329-D405 IonicContact CZ-OD1 3.91Å; R329-D405 IonicContact CZ-OD2 3.25Å; R329-D405 PolarHBondContact N-OD2 3.31Å; R329-D405 IonicContact NE-OD1 2.9Å; R329-D405 IonicContact NE-OD2 3.94Å; R329-D405 PolarHBondContact NE-OD2 3.47Å; R329-D405 IonicContact NH2-OD1 2.99Å; R329-D405 PolarHBondContact NH2-OD1 3.24Å; R329-D405 IonicContact NH2-OD2 2.77Å; R329-D405 PolarHBondContact O-N 3.31Å; R329-I406 PolarHBondContact O-N 2.87Å |
| 330 | V | 97.4 | Very high | 85.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.4 | -174.8 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | L362 Y373 T374 I375 H376 I406 V408 | V330-L362 HydrophobicContact CB-CD2 4.35Å; V330-L362 HydrophobicContact CG1-CD2 4.02Å; V330-L362 HydrophobicContact CG2-CD1 4.49Å; V330-L362 HydrophobicContact CG2-CD2 3.97Å; V330-Y373 HydrophobicContact CG2-CD2 4.39Å; V330-Y373 HydrophobicContact CG2-CG 4.48Å; V330-T374 PolarHBondContact N-O 3.14Å; V330-I375 HydrophobicContact CB-CG1 4.38Å; V330-I375 WeakPolarHBondContact O-CA 3.27Å; V330-H376 PolarHBondContact O-N 2.71Å; V330-H376 PolarHBondContact O-ND1 2.74Å; V330-I406 WeakPolarHBondContact CA-O 3.45Å; V330-I406 HydrophobicContact CB-CG1 4.28Å; V330-I406 HydrophobicContact CG1-CG1 4.21Å; V330-I406 HydrophobicContact CG2-CD1 3.79Å; V330-I406 HydrophobicContact CG2-CG1 3.64Å; V330-V408 HydrophobicContact CG1-CB 4.13Å; V330-V408 HydrophobicContact CG1-CG2 3.98Å |
| 331 | T | 97.6 | Very high | 88 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 136.1 | 169.3 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | M395 E398 A404 I406 A407 V408 | T331-M395 HydrophobicContact CG2-CB 3.71Å; T331-M395 HydrophobicContact CG2-CG 3.9Å; T331-E398 WeakPolarHBondContact CB-OE2 3.39Å; T331-E398 PolarHBondContact OG1-OE2 3.4Å; T331-A404 HydrophobicContact CG2-CB 3.6Å; T331-I406 PolarHBondContact N-O 2.93Å; T331-A407 HydrophobicContact CG2-CB 3.62Å; T331-A407 WeakPolarHBondContact O-CA 3.17Å; T331-V408 PolarHBondContact O-N 3.09Å |
| 332 | A | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I339 I375 H376 E377 V378 | A332-I339 HydrophobicContact CB-CD1 3.42Å; A332-I339 VanDerWaalsContact CB-CD1 3.42Å; A332-I339 HydrophobicContact CB-CG2 4.42Å; A332-I375 HydrophobicContact CB-CG2 3.85Å; A332-H376 PolarHBondContact N-O 3.35Å; A332-E377 WeakPolarHBondContact O-CA 3.4Å; A332-V378 PolarHBondContact O-N 2.79Å |
| 333 | Y | 92.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | trans | -99.5 | 132.3 | 166.1 | 178.1 | -92.6 | 0 | 0 | 0 | 109.5 | E335 V378 K381 Y383 M395 T409 | Y333-E335 HydrophobicContact CD1-CB 3.88Å; Y333-E335 HydrophobicContact CE1-CB 3.86Å; Y333-E335 HydrophobicContact CE1-CG 4.41Å; Y333-E335 PolarHBondContact O-N 3.32Å; Y333-V378 HydrophobicContact CD2-CG1 4.02Å; Y333-K381 VanDerWaalsContact CE2-O 3.31Å; Y333-K381 WeakPolarHBondContact CE2-O 3.16Å; Y333-Y383 HydrophobicContact CD1-CD2 4.27Å; Y333-Y383 HydrophobicContact CD1-CE1 4.03Å; Y333-Y383 AromaticContact CD1-CE2 3.46Å; Y333-Y383 HydrophobicContact CD1-CE2 3.46Å; Y333-Y383 VanDerWaalsContact CD1-CE2 3.46Å; Y333-Y383 AromaticContact CD1-CZ 3.31Å; Y333-Y383 VanDerWaalsContact CD1-OH 3.26Å; Y333-Y383 WeakPolarHBondContact CD1-OH 3.21Å; Y333-Y383 HydrophobicContact CD2-CE2 4.46Å; Y333-Y383 HydrophobicContact CE1-CD2 4.33Å; Y333-Y383 AromaticContact CE1-CE2 3.43Å; Y333-Y383 HydrophobicContact CE1-CE2 3.43Å; Y333-Y383 VanDerWaalsContact CE1-CE2 3.43Å; Y333-Y383 AromaticContact CE1-CZ 3.7Å; Y333-Y383 HydrophobicContact CE2-CE2 4.45Å; Y333-Y383 HydrophobicContact CG-CD2 4.37Å; Y333-Y383 HydrophobicContact CG-CE1 4.32Å; Y333-Y383 AromaticContact CG-CE2 3.99Å; Y333-Y383 HydrophobicContact CG-CE2 3.99Å; Y333-Y383 AromaticContact CG-CZ 3.96Å; Y333-Y383 AromaticContact CZ-CE2 3.96Å; Y333-M395 PolarHBondContact N-SD 3.14Å; Y333-M395 VanDerWaalsContact N-SD 3.4Å; Y333-T409 PolarHBondContact O-OG1 2.83Å; Y333-T409 VanDerWaalsContact O-OG1 3.05Å | ||
| 334 | M | 91.7 | Very high | 90.9 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 17% | 0.172 | 25% | 0.254 | C | S | . | . | trans | -80.5 | 106.9 | -175.1 | -58.2 | -60.1 | -113.6 | 0 | 0 | 110.4 | I339 Y341 Y354 E377 | M334-I339 HydrophobicContact SD-CB 4.38Å; M334-I339 HydrophobicContact SD-CG2 3.59Å; M334-I339 VanDerWaalsContact SD-CG2 3.59Å; M334-Y341 HydrophobicContact CE-CD1 3.47Å; M334-Y341 VanDerWaalsContact CE-CD1 3.47Å; M334-Y341 HydrophobicContact CE-CD2 3.5Å; M334-Y341 VanDerWaalsContact CE-CD2 3.5Å; M334-Y341 HydrophobicContact CE-CE1 3.24Å; M334-Y341 HydrophobicContact CE-CE2 3.26Å; M334-Y341 HydrophobicContact CE-CG 3.61Å; M334-Y354 HydrophobicContact CE-CD1 3.64Å; M334-Y354 HydrophobicContact CE-CE1 3.54Å; M334-Y354 HydrophobicContact SD-CD1 4.14Å; M334-Y354 HydrophobicContact SD-CE1 4.14Å; M334-E377 HydrophobicContact CG-CB 4.48Å; M334-E377 HydrophobicContact CG-CG 3.8Å | ||
| 335 | E | 89.9 | Confident | 91 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -149.9 | 127.6 | -178.7 | -170.1 | 66.5 | -94.8 | 0 | 0 | 109.7 | Y333 F338 I339 M633 | Y333-E335 HydrophobicContact CD1-CB 3.88Å; Y333-E335 HydrophobicContact CE1-CB 3.86Å; Y333-E335 HydrophobicContact CE1-CG 4.41Å; Y333-E335 PolarHBondContact O-N 3.32Å; E335-F338 HydrophobicContact CG-CD2 4.41Å; E335-F338 WeakPolarHBondContact O-CA 3.3Å; E335-F338 WeakPolarHBondContact O-CB 3.49Å; E335-F338 PolarHBondContact O-N 3.26Å; E335-I339 CarbonylContact C-O 3.51Å; E335-I339 PolarHBondContact N-O 3.09Å; E335-I339 PolarHBondContact O-N 2.9Å; E335-M633 HydrophobicContact CG-CE 3.34Å |
| 336 | E | 90.3 | Very high | 91.4 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 136.5 | -179.2 | -53 | -177.8 | -171 | 0 | 0 | 110.1 | M340 R614 F636 | E336-M340 HydrophobicContact CB-CG 4.2Å; E336-M340 HydrophobicContact CB-SD 3.76Å; E336-M340 HydrophobicContact CG-CG 3.79Å; E336-M340 HydrophobicContact CG-SD 3.59Å; E336-M340 VanDerWaalsContact CG-SD 3.59Å; E336-R614 IonicContact OE1-NH2 3.28Å; E336-R614 PolarHBondContact OE1-NH2 3.14Å; E336-R614 IonicContact OE2-NH2 3.63Å; E336-F636 HydrophobicContact CB-CE1 4.03Å; E336-F636 HydrophobicContact CB-CZ 4.2Å |
| 337 | P | 92.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -97.7 | 18.2 | -2.5 | 39.7 | -37 | 0 | 0 | 0 | 113.9 | M340 G356 F357 F636 W690 W691 | P337-M340 HydrophobicContact CB-CE 4.41Å; P337-G356 CarbonylContact O-C 3.52Å; P337-G356 VanDerWaalsContact O-CA 3.3Å; P337-G356 WeakPolarHBondContact O-CA 3.42Å; P337-F357 PolarHBondContact O-N 3.19Å; P337-F636 HydrophobicContact CB-CD2 3.81Å; P337-F636 HydrophobicContact CB-CE2 3.38Å; P337-F636 HydrophobicContact CB-CZ 3.9Å; P337-F636 HydrophobicContact CG-CD2 3.41Å; P337-F636 VanDerWaalsContact CG-CD2 3.41Å; P337-F636 HydrophobicContact CG-CE2 3.57Å; P337-F636 HydrophobicContact CG-CG 3.99Å; P337-F636 HydrophobicContact CG-CZ 4.29Å; P337-W690 HydrophobicContact CB-CB 4.41Å; P337-W690 HydrophobicContact CB-CE3 4.49Å; P337-W691 HydrophobicContact CB-CZ3 4.48Å; P337-W691 HydrophobicContact CG-CD2 4.17Å; P337-W691 HydrophobicContact CG-CE3 3.82Å; P337-W691 HydrophobicContact CG-CH2 3.28Å; P337-W691 HydrophobicContact CG-CZ2 3.67Å; P337-W691 HydrophobicContact CG-CZ3 3.37Å |
| 338 | F | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -54.9 | -174 | -60.2 | -83.7 | 0 | 0 | 0 | 111.3 | E335 G356 F357 C358 M428 Y656 W691 | E335-F338 HydrophobicContact CG-CD2 4.41Å; E335-F338 WeakPolarHBondContact O-CA 3.3Å; E335-F338 WeakPolarHBondContact O-CB 3.49Å; E335-F338 PolarHBondContact O-N 3.26Å; F338-G356 CarbonylContact O-C 3.5Å; F338-G356 VanDerWaalsContact O-C 3.24Å; F338-G356 WeakPolarHBondContact O-CA 3.32Å; F338-F357 HydrophobicContact CD1-CD1 4.23Å; F338-F357 PolarHBondContact O-N 2.63Å; F338-F357 VanDerWaalsContact O-N 3.15Å; F338-C358 HydrophobicContact CB-CB 4.44Å; F338-C358 WeakPolarHBondContact O-CB 3.44Å; F338-C358 PolarHBondContact O-N 2.53Å; F338-M428 HydrophobicContact CE1-SD 4.41Å; F338-Y656 AromaticContact CE1-CD2 3.97Å; F338-Y656 HydrophobicContact CE1-CD2 3.97Å; F338-Y656 AromaticContact CE1-CE2 3.67Å; F338-Y656 HydrophobicContact CE1-CE2 3.67Å; F338-Y656 HydrophobicContact CZ-CD2 4.33Å; F338-Y656 AromaticContact CZ-CE2 3.56Å; F338-Y656 HydrophobicContact CZ-CE2 3.56Å; F338-W691 HydrophobicContact CD1-CH2 4.28Å; F338-W691 AromaticContact CE1-CH2 3.7Å; F338-W691 HydrophobicContact CE1-CH2 3.7Å; F338-W691 HydrophobicContact CE1-CZ2 4.26Å; F338-W691 HydrophobicContact CE2-CH2 4.34Å; F338-W691 HydrophobicContact CE2-CZ2 4.42Å; F338-W691 AromaticContact CZ-CH2 3.73Å; F338-W691 HydrophobicContact CZ-CH2 3.73Å; F338-W691 AromaticContact CZ-CZ2 3.85Å; F338-W691 HydrophobicContact CZ-CZ2 3.85Å |
| 339 | I | 94.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -144.2 | 127.5 | 176 | -57 | -172.7 | 0 | 0 | 0 | 109 | A332 M334 E335 Y354 C358 V359 V408 | A332-I339 HydrophobicContact CB-CD1 3.42Å; A332-I339 VanDerWaalsContact CB-CD1 3.42Å; A332-I339 HydrophobicContact CB-CG2 4.42Å; M334-I339 HydrophobicContact SD-CB 4.38Å; M334-I339 HydrophobicContact SD-CG2 3.59Å; M334-I339 VanDerWaalsContact SD-CG2 3.59Å; E335-I339 CarbonylContact C-O 3.51Å; E335-I339 PolarHBondContact N-O 3.09Å; E335-I339 PolarHBondContact O-N 2.9Å; I339-Y354 HydrophobicContact CG2-CD1 4.09Å; I339-C358 HydrophobicContact CD1-CB 3.96Å; I339-C358 HydrophobicContact CG1-CB 3.69Å; I339-V359 HydrophobicContact CG1-CG2 4.16Å; I339-V359 HydrophobicContact CG2-CG2 4.18Å; I339-V408 WeakPolarHBondContact CD1-O 3.35Å |
| 340 | M | 93.1 | Very high | 91 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.8 | -176.5 | -53.3 | 177.7 | -74.1 | 0 | 0 | 109.3 | E336 P337 Y354 E355 W690 | E336-M340 HydrophobicContact CB-CG 4.2Å; E336-M340 HydrophobicContact CB-SD 3.76Å; E336-M340 HydrophobicContact CG-CG 3.79Å; E336-M340 HydrophobicContact CG-SD 3.59Å; E336-M340 VanDerWaalsContact CG-SD 3.59Å; P337-M340 HydrophobicContact CB-CE 4.41Å; M340-Y354 CarbonylContact O-C 3.59Å; M340-Y354 WeakPolarHBondContact O-CA 3.4Å; M340-E355 HydrophobicContact CB-CG 4.44Å; M340-E355 HydrophobicContact CE-CG 4.43Å; M340-E355 PolarHBondContact N-O 3.15Å; M340-E355 PolarHBondContact O-N 2.71Å; M340-W690 HydrophobicContact CE-CE3 4Å; M340-W690 HydrophobicContact CE-CH2 4.36Å; M340-W690 HydrophobicContact CE-CZ3 3.51Å |
| 341 | Y | 93.1 | Very high | 90.7 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 137.5 | 165.5 | -70.3 | -61 | 0 | 0 | 0 | 110.6 | M334 V345 R353 Y354 E377 | M334-Y341 HydrophobicContact CE-CD1 3.47Å; M334-Y341 VanDerWaalsContact CE-CD1 3.47Å; M334-Y341 HydrophobicContact CE-CD2 3.5Å; M334-Y341 VanDerWaalsContact CE-CD2 3.5Å; M334-Y341 HydrophobicContact CE-CE1 3.24Å; M334-Y341 HydrophobicContact CE-CE2 3.26Å; M334-Y341 HydrophobicContact CE-CG 3.61Å; Y341-V345 HydrophobicContact CD1-CB 4.43Å; Y341-V345 HydrophobicContact CD1-CG2 3.52Å; Y341-V345 HydrophobicContact CE1-CG2 4.09Å; Y341-V345 HydrophobicContact CG-CG2 4.06Å; Y341-R353 WeakPolarHBondContact CA-O 3.41Å; Y341-Y354 HydrophobicContact CD1-CD1 4.23Å; Y341-Y354 HydrophobicContact CD1-CE1 4.21Å; Y341-Y354 HydrophobicContact CE1-CD1 4.19Å; Y341-Y354 AromaticContact CE1-CE1 3.7Å; Y341-Y354 HydrophobicContact CE1-CE1 3.7Å; Y341-E377 PolarHBondContact OH-OE2 2.58Å |
| 342 | K | 91.5 | Very high | 90.5 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 156 | 166.8 | -71.7 | -168.3 | -167.2 | 152.3 | 0 | 110.2 | V345 L348 D352 R353 Y354 E355 | K342-V345 PolarHBondContact O-N 3.25Å; K342-L348 HydrophobicContact CB-CD1 3.81Å; K342-L348 HydrophobicContact CD-CD1 4.11Å; K342-D352 WeakPolarHBondContact CD-O 3.18Å; K342-D352 VanDerWaalsContact CE-O 3.27Å; K342-D352 WeakPolarHBondContact CE-O 3.46Å; K342-D352 PolarHBondContact NZ-O 2.9Å; K342-R353 PolarHBondContact N-O 2.75Å; K342-Y354 VanDerWaalsContact CE-O 3.26Å; K342-Y354 WeakPolarHBondContact CE-O 3.41Å; K342-E355 HydrophobicContact CD-CB 4.41Å; K342-E355 HydrophobicContact CG-CB 3.69Å; K342-E355 HydrophobicContact CG-CG 3.66Å |
| 343 | K | 86.1 | Confident | 90.4 | Very high | 189 Ų | 189 | 69 Ų | 69 | 82% | 0.822 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 139.6 | 169.1 | -63.7 | -177.1 | -179.6 | 178.9 | 0 | 109.8 | ||
| 344 | S | 86.2 | Confident | 90.5 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 44% | 0.441 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 43.3 | -176.8 | -42.2 | 0 | 0 | 0 | 0 | 113.9 | E346 R347 | S344-E346 WeakPolarHBondContact CA-OE2 3.46Å; S344-E346 PolarHBondContact O-N 3.24Å; S344-E346 VanDerWaalsContact O-N 3.07Å; S344-R347 PolarHBondContact O-N 3.41Å |
| 345 | V | 82.4 | Confident | 90.7 | Very high | 33 Ų | 33 | 67.6 Ų | 67.6 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -53.1 | -29 | -179.6 | 66.9 | 0 | 0 | 0 | 0 | 113 | Y341 K342 R347 L348 R353 | Y341-V345 HydrophobicContact CD1-CB 4.43Å; Y341-V345 HydrophobicContact CD1-CG2 3.52Å; Y341-V345 HydrophobicContact CE1-CG2 4.09Å; Y341-V345 HydrophobicContact CG-CG2 4.06Å; K342-V345 PolarHBondContact O-N 3.25Å; V345-R347 PolarHBondContact O-N 2.71Å; V345-L348 PolarHBondContact O-N 2.8Å; V345-L348 VanDerWaalsContact O-N 3.08Å; V345-R353 HydrophobicContact CG2-CB 3.92Å; V345-R353 HydrophobicContact CG2-CG 4.06Å |
| 346 | E | 86 | Confident | 90.9 | Very high | 165 Ų | 165 | 66.2 Ų | 66.2 | 77% | 0.771 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -63.9 | -20.9 | -179.4 | -54.6 | 76.4 | -165 | 0 | 0 | 112.7 | S344 | S344-E346 WeakPolarHBondContact CA-OE2 3.46Å; S344-E346 PolarHBondContact O-N 3.24Å; S344-E346 VanDerWaalsContact O-N 3.07Å |
| 347 | R | 88 | Confident | 91.2 | Very high | 219 Ų | 219 | 63 Ų | 63 | 83% | 0.826 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -95.5 | -4.4 | 178.6 | -60.8 | -177.6 | -179.8 | 172.3 | -0.2 | 113.4 | S344 V345 | S344-R347 PolarHBondContact O-N 3.41Å; V345-R347 PolarHBondContact O-N 2.71Å |
| 348 | L | 88.8 | Confident | 91.5 | Very high | 60 Ų | 60 | 63 Ų | 63 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | trans | -112.8 | 145 | -172.9 | -60.7 | 172.1 | 0 | 0 | 0 | 109.9 | K342 V345 D352 R353 | K342-L348 HydrophobicContact CB-CD1 3.81Å; K342-L348 HydrophobicContact CD-CD1 4.11Å; V345-L348 PolarHBondContact O-N 2.8Å; V345-L348 VanDerWaalsContact O-N 3.08Å; L348-D352 HydrophobicContact CB-CB 4.46Å; L348-D352 HydrophobicContact CD2-CB 4.46Å; L348-R353 HydrophobicContact CB-CG 3.86Å; L348-R353 WeakPolarHBondContact O-CD 3.19Å; L348-R353 VanDerWaalsContact O-CG 3.24Å; L348-R353 WeakPolarHBondContact O-CG 3.34Å | ||
| 349 | S | 87.8 | Confident | 91.5 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | trans | -122.1 | 151.3 | 179.9 | 58 | 0 | 0 | 0 | 0 | 111.7 | D352 | S349-D352 PolarHBondContact O-N 3.4Š| ||
| 350 | G | 90.1 | Very high | 91.7 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | 64.7 | -135 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | D352 R353 | G350-D352 VanDerWaalsContact C-N 3.32Å; G350-R353 WeakPolarHBondContact O-CG 3.29Å; G350-R353 PolarHBondContact O-NE 3.4Å; G350-R353 VanDerWaalsContact O-NE 3.08Å |
| 351 | N | 92.6 | Very high | 91.9 | Very high | 45 Ų | 45 | 63.5 Ų | 63.5 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -71.1 | -26.2 | -177.2 | -66.3 | -11.2 | 0 | 0 | 0 | 113.1 | R353 Y354 Y373 T374 I375 | N351-R353 PolarHBondContact O-N 3.04Å; N351-Y354 WeakPolarHBondContact O-CD2 3.49Å; N351-Y354 PolarHBondContact O-N 3.05Å; N351-Y373 WeakPolarHBondContact ND2-CE2 3.34Å; N351-Y373 PolarHBondContact ND2-O 2.97Å; N351-T374 WeakPolarHBondContact OD1-CA 3.44Å; N351-I375 PolarHBondContact OD1-N 2.76Å |
| 352 | D | 92.2 | Very high | 92.1 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -62.1 | -18.2 | -177.1 | -72 | -36.5 | 0 | 0 | 0 | 113.2 | K342 L348 S349 G350 Y354 | K342-D352 WeakPolarHBondContact CD-O 3.18Å; K342-D352 VanDerWaalsContact CE-O 3.27Å; K342-D352 WeakPolarHBondContact CE-O 3.46Å; K342-D352 PolarHBondContact NZ-O 2.9Å; L348-D352 HydrophobicContact CB-CB 4.46Å; L348-D352 HydrophobicContact CD2-CB 4.46Å; S349-D352 PolarHBondContact O-N 3.4Å; G350-D352 VanDerWaalsContact C-N 3.32Å; D352-Y354 PolarHBondContact O-N 3.02Å |
| 353 | R | 93.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -64.3 | -23.3 | 175.5 | -64.9 | -172 | -59.9 | 157.5 | 0.7 | 113.7 | Y341 K342 V345 L348 G350 N351 | Y341-R353 WeakPolarHBondContact CA-O 3.41Å; K342-R353 PolarHBondContact N-O 2.75Å; V345-R353 HydrophobicContact CG2-CB 3.92Å; V345-R353 HydrophobicContact CG2-CG 4.06Å; L348-R353 HydrophobicContact CB-CG 3.86Å; L348-R353 WeakPolarHBondContact O-CD 3.19Å; L348-R353 VanDerWaalsContact O-CG 3.24Å; L348-R353 WeakPolarHBondContact O-CG 3.34Å; G350-R353 WeakPolarHBondContact O-CG 3.29Å; G350-R353 PolarHBondContact O-NE 3.4Å; G350-R353 VanDerWaalsContact O-NE 3.08Å; N351-R353 PolarHBondContact O-N 3.04Å |
| 354 | Y | 95.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 145.5 | -171.2 | -50.8 | -81.4 | 0 | 0 | 0 | 111.8 | M334 I339 M340 Y341 K342 N351 D352 I375 | M334-Y354 HydrophobicContact CE-CD1 3.64Å; M334-Y354 HydrophobicContact CE-CE1 3.54Å; M334-Y354 HydrophobicContact SD-CD1 4.14Å; M334-Y354 HydrophobicContact SD-CE1 4.14Å; I339-Y354 HydrophobicContact CG2-CD1 4.09Å; M340-Y354 CarbonylContact O-C 3.59Å; M340-Y354 WeakPolarHBondContact O-CA 3.4Å; Y341-Y354 HydrophobicContact CD1-CD1 4.23Å; Y341-Y354 HydrophobicContact CD1-CE1 4.21Å; Y341-Y354 HydrophobicContact CE1-CD1 4.19Å; Y341-Y354 AromaticContact CE1-CE1 3.7Å; Y341-Y354 HydrophobicContact CE1-CE1 3.7Å; K342-Y354 VanDerWaalsContact CE-O 3.26Å; K342-Y354 WeakPolarHBondContact CE-O 3.41Å; N351-Y354 WeakPolarHBondContact O-CD2 3.49Å; N351-Y354 PolarHBondContact O-N 3.05Å; D352-Y354 PolarHBondContact O-N 3.02Å; Y354-I375 HydrophobicContact CD1-CG2 4.48Å; Y354-I375 HydrophobicContact CD2-CB 3.79Å; Y354-I375 HydrophobicContact CD2-CD1 4.17Å; Y354-I375 HydrophobicContact CD2-CG2 3.86Å; Y354-I375 HydrophobicContact CE1-CG2 4.41Å; Y354-I375 HydrophobicContact CE2-CB 3.69Å; Y354-I375 HydrophobicContact CE2-CG2 3.76Å; Y354-I375 VanDerWaalsContact CE2-O 3.29Å; Y354-I375 WeakPolarHBondContact CE2-O 3.42Å; Y354-I375 HydrophobicContact CG-CG2 4.21Å; Y354-I375 PolarHBondContact OH-O 2.88Å |
| 355 | E | 95 | Very high | 93.4 | Very high | 42 Ų | 42 | 54 Ų | 54 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.6 | 168.6 | 63.3 | 171.6 | 176.9 | 0 | 0 | 110.4 | M340 K342 W690 R694 | M340-E355 HydrophobicContact CB-CG 4.44Å; M340-E355 HydrophobicContact CE-CG 4.43Å; M340-E355 PolarHBondContact N-O 3.15Å; M340-E355 PolarHBondContact O-N 2.71Å; K342-E355 HydrophobicContact CD-CB 4.41Å; K342-E355 HydrophobicContact CG-CB 3.69Å; K342-E355 HydrophobicContact CG-CG 3.66Å; E355-W690 HydrophobicContact CB-CH2 4.06Å; E355-W690 HydrophobicContact CG-CH2 4.34Å; E355-R694 IonicContact OE1-CZ 2.8Å; E355-R694 IonicContact OE1-NH2 3.7Å; E355-R694 PolarHBondContact OE1-NH2 2.82Å; E355-R694 IonicContact OE2-NH2 3.59Å; E355-R694 PolarHBondContact OE2-NH2 3.43Å |
| 356 | G | 95 | Very high | 94 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 145.7 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P337 F338 C358 V359 D360 W690 | P337-G356 CarbonylContact O-C 3.52Å; P337-G356 VanDerWaalsContact O-CA 3.3Å; P337-G356 WeakPolarHBondContact O-CA 3.42Å; F338-G356 CarbonylContact O-C 3.5Å; F338-G356 VanDerWaalsContact O-C 3.24Å; F338-G356 WeakPolarHBondContact O-CA 3.32Å; G356-C358 VanDerWaalsContact C-N 3.29Å; G356-C358 PolarHBondContact O-N 2.98Å; G356-V359 PolarHBondContact O-N 3.33Å; G356-V359 VanDerWaalsContact O-N 3.1Å; G356-D360 PolarHBondContact O-N 3.46Å; G356-W690 VanDerWaalsContact CA-CZ2 3.43Å |
| 357 | F | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.1 | -43.8 | -179.1 | 171.5 | -86.3 | 0 | 0 | 0 | 112.7 | P337 F338 V359 L361 F427 M428 I683 L686 K687 W690 W691 | P337-F357 PolarHBondContact O-N 3.19Å; F338-F357 HydrophobicContact CD1-CD1 4.23Å; F338-F357 PolarHBondContact O-N 2.63Å; F338-F357 VanDerWaalsContact O-N 3.15Å; F357-V359 VanDerWaalsContact C-N 3.33Å; F357-L361 HydrophobicContact CE1-CD2 4.02Å; F357-L361 HydrophobicContact CZ-CD2 4.48Å; F357-L361 VanDerWaalsContact O-CB 3.28Å; F357-L361 WeakPolarHBondContact O-CB 3.4Å; F357-L361 PolarHBondContact O-N 2.9Å; F357-F427 HydrophobicContact CD1-CE2 4.45Å; F357-F427 AromaticContact CE1-CD2 3.79Å; F357-F427 HydrophobicContact CE1-CD2 3.79Å; F357-F427 AromaticContact CE1-CE2 3.63Å; F357-F427 HydrophobicContact CE1-CE2 3.63Å; F357-F427 HydrophobicContact CZ-CD2 4.27Å; F357-F427 HydrophobicContact CZ-CE2 4.5Å; F357-M428 HydrophobicContact CD1-CE 4.48Å; F357-M428 HydrophobicContact CE1-CE 3.96Å; F357-M428 HydrophobicContact CE2-CE 4.05Å; F357-M428 HydrophobicContact CZ-CE 3.72Å; F357-I683 HydrophobicContact CZ-CG2 4.2Å; F357-L686 HydrophobicContact CD2-CB 3.84Å; F357-L686 HydrophobicContact CE2-CB 3.7Å; F357-K687 HydrophobicContact CE2-CB 4.22Å; F357-W690 VanDerWaalsContact CA-CD1 3.45Å; F357-W690 HydrophobicContact CB-CB 4.31Å; F357-W690 HydrophobicContact CB-CG 3.98Å; F357-W691 HydrophobicContact CB-CZ3 3.94Å; F357-W691 HydrophobicContact CD2-CZ3 4.09Å; F357-W691 HydrophobicContact CG-CZ3 4.05Å |
| 358 | C | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74 | -26.1 | -178.8 | -76.7 | 0 | 0 | 0 | 0 | 112.5 | F338 I339 G356 L362 V408 T409 | F338-C358 HydrophobicContact CB-CB 4.44Å; F338-C358 WeakPolarHBondContact O-CB 3.44Å; F338-C358 PolarHBondContact O-N 2.53Å; I339-C358 HydrophobicContact CD1-CB 3.96Å; I339-C358 HydrophobicContact CG1-CB 3.69Å; G356-C358 VanDerWaalsContact C-N 3.29Å; G356-C358 PolarHBondContact O-N 2.98Å; C358-L362 WeakPolarHBondContact O-CB 3.15Å; C358-L362 PolarHBondContact O-N 2.89Å; C358-V408 HydrophobicContact CB-CG1 4.06Å; C358-T409 VanDerWaalsContact SG-CA 3.54Å |
| 359 | V | 97.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70 | -49.8 | 173.9 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | I339 G356 F357 L361 L362 E363 I375 | I339-V359 HydrophobicContact CG1-CG2 4.16Å; I339-V359 HydrophobicContact CG2-CG2 4.18Å; G356-V359 PolarHBondContact O-N 3.33Å; G356-V359 VanDerWaalsContact O-N 3.1Å; F357-V359 VanDerWaalsContact C-N 3.33Å; V359-L361 VanDerWaalsContact C-N 3.32Å; V359-L361 PolarHBondContact O-N 3.46Å; V359-L362 PolarHBondContact O-N 3.21Å; V359-E363 PolarHBondContact O-N 2.87Å; V359-I375 HydrophobicContact CG1-CD1 4.35Å; V359-I375 HydrophobicContact CG2-CD1 4.48Å |
| 360 | D | 97.2 | Very high | 95 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.3 | -69.1 | 3.1 | 0 | 0 | 0 | 111.4 | G356 E363 R364 L686 K689 W690 | G356-D360 PolarHBondContact O-N 3.46Å; D360-E363 PolarHBondContact O-N 3.08Å; D360-R364 WeakPolarHBondContact O-CG 3.44Å; D360-R364 PolarHBondContact O-N 3.46Å; D360-L686 HydrophobicContact CB-CD1 4.04Å; D360-L686 HydrophobicContact CB-CD2 3.65Å; D360-L686 HydrophobicContact CB-CG 4.46Å; D360-K689 IonicContact OD1-NZ 2.62Å; D360-K689 IonicContact OD2-NZ 3.91Å; D360-K689 PolarHBondContact OD2-NZ 3.07Å; D360-W690 PolarHBondContact OD2-NE1 3.14Å |
| 361 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 176.2 | 176.5 | 60.3 | 0 | 0 | 0 | 111.3 | F357 V359 E363 R364 I365 F427 L677 I683 L686 | F357-L361 HydrophobicContact CE1-CD2 4.02Å; F357-L361 HydrophobicContact CZ-CD2 4.48Å; F357-L361 VanDerWaalsContact O-CB 3.28Å; F357-L361 WeakPolarHBondContact O-CB 3.4Å; F357-L361 PolarHBondContact O-N 2.9Å; V359-L361 VanDerWaalsContact C-N 3.32Å; V359-L361 PolarHBondContact O-N 3.46Å; L361-E363 VanDerWaalsContact C-N 3.31Å; L361-E363 PolarHBondContact O-N 2.99Å; L361-R364 PolarHBondContact O-N 2.92Å; L361-I365 HydrophobicContact CD1-CD1 3.96Å; L361-I365 HydrophobicContact CD1-CG1 4.28Å; L361-I365 HydrophobicContact CG-CD1 3.87Å; L361-I365 VanDerWaalsContact O-CG1 3.28Å; L361-I365 WeakPolarHBondContact O-CG1 3.39Å; L361-I365 PolarHBondContact O-N 2.78Å; L361-F427 HydrophobicContact CD2-CB 3.94Å; L361-F427 HydrophobicContact CD2-CD1 4.05Å; L361-F427 HydrophobicContact CD2-CD2 3.72Å; L361-F427 HydrophobicContact CD2-CE1 4.49Å; L361-F427 HydrophobicContact CD2-CE2 4.22Å; L361-F427 HydrophobicContact CD2-CG 3.63Å; L361-L677 HydrophobicContact CD1-CD1 3.99Å; L361-I683 HydrophobicContact CD1-CD1 4.09Å; L361-I683 HydrophobicContact CD1-CG1 3.82Å; L361-L686 HydrophobicContact CB-CD1 4.33Å |
| 362 | L | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.5 | 175.5 | 59.8 | 0 | 0 | 0 | 111.5 | V330 C358 V359 R364 I365 A366 F371 Y373 I375 I406 V408 | V330-L362 HydrophobicContact CB-CD2 4.35Å; V330-L362 HydrophobicContact CG1-CD2 4.02Å; V330-L362 HydrophobicContact CG2-CD1 4.49Å; V330-L362 HydrophobicContact CG2-CD2 3.97Å; C358-L362 WeakPolarHBondContact O-CB 3.15Å; C358-L362 PolarHBondContact O-N 2.89Å; V359-L362 PolarHBondContact O-N 3.21Å; L362-R364 PolarHBondContact O-N 2.76Å; L362-I365 PolarHBondContact O-N 3.03Å; L362-A366 VanDerWaalsContact O-CB 3.28Å; L362-A366 WeakPolarHBondContact O-CB 3.02Å; L362-A366 PolarHBondContact O-N 3.35Å; L362-F371 HydrophobicContact CD1-CE2 4.2Å; L362-F371 HydrophobicContact CD1-CZ 4.13Å; L362-Y373 HydrophobicContact CD1-CD1 4.39Å; L362-Y373 HydrophobicContact CD1-CG 4.39Å; L362-Y373 HydrophobicContact CD2-CD2 3.49Å; L362-Y373 VanDerWaalsContact CD2-CD2 3.49Å; L362-Y373 HydrophobicContact CD2-CE2 3.47Å; L362-Y373 VanDerWaalsContact CD2-CE2 3.47Å; L362-Y373 HydrophobicContact CD2-CG 4.05Å; L362-Y373 HydrophobicContact CG-CD1 4.17Å; L362-Y373 HydrophobicContact CG-CD2 4.01Å; L362-Y373 HydrophobicContact CG-CE1 4.02Å; L362-Y373 HydrophobicContact CG-CE2 3.85Å; L362-Y373 HydrophobicContact CG-CG 4.17Å; L362-I375 HydrophobicContact CD2-CD1 4.08Å; L362-I375 HydrophobicContact CD2-CG1 4.11Å; L362-I406 HydrophobicContact CD1-CD1 4.03Å; L362-V408 HydrophobicContact CB-CG1 4.42Å; L362-V408 HydrophobicContact CD1-CG2 4.26Å |
| 363 | E | 97.2 | Very high | 95.5 | Very high | 106 Ų | 106 | 41.1 Ų | 41.1 | 50% | 0.495 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 174.6 | -173.3 | 177.4 | -156.7 | 0 | 0 | 111.7 | V359 D360 L361 I365 A366 E367 | V359-E363 PolarHBondContact O-N 2.87Å; D360-E363 PolarHBondContact O-N 3.08Å; L361-E363 VanDerWaalsContact C-N 3.31Å; L361-E363 PolarHBondContact O-N 2.99Å; E363-I365 PolarHBondContact O-N 2.95Å; E363-A366 PolarHBondContact O-N 2.9Å; E363-E367 WeakPolarHBondContact O-CB 3.47Å; E363-E367 PolarHBondContact O-N 3.31Å |
| 364 | R | 97.2 | Very high | 95.6 | Very high | 107 Ų | 107 | 40 Ų | 40 | 40% | 0.404 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 175.8 | -65.4 | -55.4 | -173.7 | -177.8 | 1 | 113 | D360 L361 L362 A366 E367 V368 L677 V682 | D360-R364 WeakPolarHBondContact O-CG 3.44Å; D360-R364 PolarHBondContact O-N 3.46Å; L361-R364 PolarHBondContact O-N 2.92Å; L362-R364 PolarHBondContact O-N 2.76Å; R364-A366 VanDerWaalsContact C-N 3.34Å; R364-E367 IonicContact CZ-OE2 3.75Å; R364-E367 IonicContact NH1-OE2 3.19Å; R364-E367 PolarHBondContact NH1-OE2 3Å; R364-E367 PolarHBondContact O-N 2.87Å; R364-V368 WeakPolarHBondContact O-CG2 3.39Å; R364-V368 PolarHBondContact O-N 3.38Å; R364-V368 VanDerWaalsContact O-N 3.15Å; R364-L677 HydrophobicContact CB-CD1 3.91Å; R364-L677 HydrophobicContact CB-CD2 4.17Å; R364-V682 HydrophobicContact CG-CG1 4.1Å |
| 365 | I | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 177.5 | -67.2 | 169.9 | 0 | 0 | 0 | 110.5 | L361 L362 E363 N369 F371 I658 T673 V674 L677 | L361-I365 HydrophobicContact CD1-CD1 3.96Å; L361-I365 HydrophobicContact CD1-CG1 4.28Å; L361-I365 HydrophobicContact CG-CD1 3.87Å; L361-I365 VanDerWaalsContact O-CG1 3.28Å; L361-I365 WeakPolarHBondContact O-CG1 3.39Å; L361-I365 PolarHBondContact O-N 2.78Å; L362-I365 PolarHBondContact O-N 3.03Å; E363-I365 PolarHBondContact O-N 2.95Å; I365-N369 WeakPolarHBondContact O-CB 3.21Å; I365-N369 PolarHBondContact O-N 3.32Å; I365-N369 PolarHBondContact O-ND2 3.24Å; I365-F371 HydrophobicContact CG2-CE1 3.85Å; I365-F371 HydrophobicContact CG2-CZ 3.98Å; I365-I658 HydrophobicContact CD1-CD1 3.4Å; I365-T673 HydrophobicContact CB-CG2 4.3Å; I365-T673 HydrophobicContact CG1-CG2 4.1Å; I365-T673 HydrophobicContact CG2-CG2 4.17Å; I365-V674 HydrophobicContact CD1-CG2 4.08Å; I365-L677 HydrophobicContact CG1-CD1 3.67Å |
| 366 | A | 96.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L362 E363 R364 N369 K370 F371 Y373 | L362-A366 VanDerWaalsContact O-CB 3.28Å; L362-A366 WeakPolarHBondContact O-CB 3.02Å; L362-A366 PolarHBondContact O-N 3.35Å; E363-A366 PolarHBondContact O-N 2.9Å; R364-A366 VanDerWaalsContact C-N 3.34Å; A366-N369 PolarHBondContact O-N 3.23Å; A366-K370 WeakPolarHBondContact O-CA 3.39Å; A366-K370 PolarHBondContact O-N 3.48Å; A366-F371 VanDerWaalsContact CA-CE1 3.47Å; A366-F371 HydrophobicContact CB-CD1 4.47Å; A366-F371 HydrophobicContact CB-CD2 4.17Å; A366-F371 HydrophobicContact CB-CE1 4.17Å; A366-F371 HydrophobicContact CB-CE2 3.83Å; A366-F371 HydrophobicContact CB-CG 4.46Å; A366-F371 HydrophobicContact CB-CZ 3.82Å; A366-F371 PolarHBondContact O-N 3Å; A366-Y373 HydrophobicContact CB-CD1 3.63Å; A366-Y373 HydrophobicContact CB-CE1 3.51Å |
| 367 | E | 95.3 | Very high | 95.7 | Very high | 117 Ų | 117 | 43.1 Ų | 43.1 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 177.5 | -175.2 | 179.9 | -169 | 0 | 0 | 111.9 | E363 R364 N369 K370 | E363-E367 WeakPolarHBondContact O-CB 3.47Å; E363-E367 PolarHBondContact O-N 3.31Å; R364-E367 IonicContact CZ-OE2 3.75Å; R364-E367 IonicContact NH1-OE2 3.19Å; R364-E367 PolarHBondContact NH1-OE2 3Å; R364-E367 PolarHBondContact O-N 2.87Å; E367-N369 PolarHBondContact O-N 2.97Å; E367-K370 PolarHBondContact O-N 3.45Å |
| 368 | V | 93.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 40% | 0.4 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64 | -42.2 | -179.8 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | R364 T673 Y676 | R364-V368 WeakPolarHBondContact O-CG2 3.39Å; R364-V368 PolarHBondContact O-N 3.38Å; R364-V368 VanDerWaalsContact O-N 3.15Å; V368-T673 HydrophobicContact CB-CG2 3.94Å; V368-T673 HydrophobicContact CG1-CG2 3.94Å; V368-T673 HydrophobicContact CG2-CG2 4.36Å; V368-Y676 HydrophobicContact CG2-CD1 4.4Å; V368-Y676 HydrophobicContact CG2-CE1 4.18Å |
| 369 | N | 91.7 | Very high | 95.4 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -92.1 | -7.9 | -175.3 | -68.8 | -68 | 0 | 0 | 0 | 114 | L323 K324 I365 A366 E367 F371 T669 T673 | L323-N369 HydrophobicContact CB-CB 3.94Å; L323-N369 HydrophobicContact CD1-CB 4.15Å; K324-N369 WeakPolarHBondContact CA-O 3.44Å; K324-N369 WeakPolarHBondContact CG-O 3.49Å; K324-N369 PolarHBondContact N-O 2.89Å; I365-N369 WeakPolarHBondContact O-CB 3.21Å; I365-N369 PolarHBondContact O-N 3.32Å; I365-N369 PolarHBondContact O-ND2 3.24Å; A366-N369 PolarHBondContact O-N 3.23Å; E367-N369 PolarHBondContact O-N 2.97Å; N369-F371 HydrophobicContact CB-CD1 3.59Å; N369-F371 HydrophobicContact CB-CE1 3.93Å; N369-F371 PolarHBondContact O-N 3.37Å; N369-T669 VanDerWaalsContact OD1-CG2 3.29Å; N369-T669 WeakPolarHBondContact OD1-CG2 3.38Å; N369-T673 WeakPolarHBondContact ND2-CG2 3.39Å; N369-T673 PolarHBondContact ND2-OG1 3.13Å; N369-T673 PolarHBondContact OD1-OG1 3.41Å |
| 370 | K | 91.6 | Very high | 95.1 | Very high | 125 Ų | 125 | 53.6 Ų | 53.6 | 54% | 0.543 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 41.8 | -177 | -44.2 | -175.1 | 177.4 | -167.4 | 0 | 114 | K324 H325 A366 E367 | K324-K370 CarbonylContact C-O 3.57Å; K324-K370 WeakPolarHBondContact CA-O 3.33Å; K324-K370 HydrophobicContact CG-CB 4.17Å; H325-K370 PolarHBondContact N-O 3.02Å; A366-K370 WeakPolarHBondContact O-CA 3.39Å; A366-K370 PolarHBondContact O-N 3.48Å; E367-K370 PolarHBondContact O-N 3.45Å |
| 371 | F | 94 | Very high | 94.7 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | trans | -102.7 | 157 | 172 | 70.1 | -97.5 | 0 | 0 | 0 | 111.3 | L323 K326 L328 L362 I365 A366 N369 Y373 | L323-F371 HydrophobicContact CB-CB 4.38Å; L323-F371 HydrophobicContact CB-CD1 4.17Å; L323-F371 HydrophobicContact CD2-CD1 4.05Å; L323-F371 HydrophobicContact CD2-CG 4.37Å; L323-F371 WeakPolarHBondContact O-CB 3.33Å; K326-F371 WeakPolarHBondContact O-CB 3.26Å; L328-F371 HydrophobicContact CB-CD2 4.44Å; L328-F371 HydrophobicContact CD1-CD2 3.96Å; L328-F371 HydrophobicContact CD1-CE2 3.96Å; L328-F371 HydrophobicContact CD1-CG 4.39Å; L328-F371 HydrophobicContact CD1-CZ 4.35Å; L328-F371 HydrophobicContact CG-CD2 4.12Å; L328-F371 HydrophobicContact CG-CE2 4.47Å; L362-F371 HydrophobicContact CD1-CE2 4.2Å; L362-F371 HydrophobicContact CD1-CZ 4.13Å; I365-F371 HydrophobicContact CG2-CE1 3.85Å; I365-F371 HydrophobicContact CG2-CZ 3.98Å; A366-F371 VanDerWaalsContact CA-CE1 3.47Å; A366-F371 HydrophobicContact CB-CD1 4.47Å; A366-F371 HydrophobicContact CB-CD2 4.17Å; A366-F371 HydrophobicContact CB-CE1 4.17Å; A366-F371 HydrophobicContact CB-CE2 3.83Å; A366-F371 HydrophobicContact CB-CG 4.46Å; A366-F371 HydrophobicContact CB-CZ 3.82Å; A366-F371 PolarHBondContact O-N 3Å; N369-F371 HydrophobicContact CB-CD1 3.59Å; N369-F371 HydrophobicContact CB-CE1 3.93Å; N369-F371 PolarHBondContact O-N 3.37Å; F371-Y373 HydrophobicContact CD2-CD1 4.34Å; F371-Y373 AromaticContact CE2-CD1 3.95Å; F371-Y373 HydrophobicContact CE2-CD1 3.95Å; F371-Y373 HydrophobicContact CE2-CG 4.37Å | ||
| 372 | N | 94.5 | Very high | 94.3 | Very high | 110 Ų | 110 | 59.3 Ų | 59.3 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 156.7 | 170.7 | -68 | -19.8 | 0 | 0 | 0 | 109.7 | K326 E327 L328 | K326-N372 PolarHBondContact O-N 3.33Å; E327-N372 CarbonylContact C-O 3.59Å; E327-N372 VanDerWaalsContact CA-O 3.23Å; E327-N372 WeakPolarHBondContact CA-O 3.35Å; E327-N372 HydrophobicContact CG-CB 4.4Å; L328-N372 PolarHBondContact N-O 3.21Å |
| 373 | Y | 96.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 158.7 | -179.2 | 61.8 | -91.8 | 0 | 0 | 0 | 112 | L328 V330 N351 L362 A366 F371 I375 | L328-Y373 CarbonylContact O-C 3.59Å; L328-Y373 WeakPolarHBondContact O-CA 3.37Å; L328-Y373 WeakPolarHBondContact O-CB 3.24Å; V330-Y373 HydrophobicContact CG2-CD2 4.39Å; V330-Y373 HydrophobicContact CG2-CG 4.48Å; N351-Y373 WeakPolarHBondContact ND2-CE2 3.34Å; N351-Y373 PolarHBondContact ND2-O 2.97Å; L362-Y373 HydrophobicContact CD1-CD1 4.39Å; L362-Y373 HydrophobicContact CD1-CG 4.39Å; L362-Y373 HydrophobicContact CD2-CD2 3.49Å; L362-Y373 VanDerWaalsContact CD2-CD2 3.49Å; L362-Y373 HydrophobicContact CD2-CE2 3.47Å; L362-Y373 VanDerWaalsContact CD2-CE2 3.47Å; L362-Y373 HydrophobicContact CD2-CG 4.05Å; L362-Y373 HydrophobicContact CG-CD1 4.17Å; L362-Y373 HydrophobicContact CG-CD2 4.01Å; L362-Y373 HydrophobicContact CG-CE1 4.02Å; L362-Y373 HydrophobicContact CG-CE2 3.85Å; L362-Y373 HydrophobicContact CG-CG 4.17Å; A366-Y373 HydrophobicContact CB-CD1 3.63Å; A366-Y373 HydrophobicContact CB-CE1 3.51Å; F371-Y373 HydrophobicContact CD2-CD1 4.34Å; F371-Y373 AromaticContact CE2-CD1 3.95Å; F371-Y373 HydrophobicContact CE2-CD1 3.95Å; F371-Y373 HydrophobicContact CE2-CG 4.37Å; Y373-I375 HydrophobicContact CD2-CD1 4.37Å; Y373-I375 HydrophobicContact CD2-CG1 3.86Å; Y373-I375 HydrophobicContact CE2-CD1 3.87Å; Y373-I375 HydrophobicContact CE2-CG1 3.87Å |
| 374 | T | 96.3 | Very high | 93.7 | Very high | 55 Ų | 55 | 56 Ų | 56 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.5 | 172.9 | 47.3 | 0 | 0 | 0 | 0 | 110 | E327 L328 V330 N351 | E327-T374 WeakPolarHBondContact OE1-CG2 3.12Å; L328-T374 PolarHBondContact O-N 3.38Å; V330-T374 PolarHBondContact N-O 3.14Å; N351-T374 WeakPolarHBondContact OD1-CA 3.44Å |
| 375 | I | 96.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128 | -178.9 | -52.1 | 175.8 | 0 | 0 | 0 | 110.1 | V330 A332 N351 Y354 V359 L362 Y373 | V330-I375 HydrophobicContact CB-CG1 4.38Å; V330-I375 WeakPolarHBondContact O-CA 3.27Å; A332-I375 HydrophobicContact CB-CG2 3.85Å; N351-I375 PolarHBondContact OD1-N 2.76Å; Y354-I375 HydrophobicContact CD1-CG2 4.48Å; Y354-I375 HydrophobicContact CD2-CB 3.79Å; Y354-I375 HydrophobicContact CD2-CD1 4.17Å; Y354-I375 HydrophobicContact CD2-CG2 3.86Å; Y354-I375 HydrophobicContact CE1-CG2 4.41Å; Y354-I375 HydrophobicContact CE2-CB 3.69Å; Y354-I375 HydrophobicContact CE2-CG2 3.76Å; Y354-I375 VanDerWaalsContact CE2-O 3.29Å; Y354-I375 WeakPolarHBondContact CE2-O 3.42Å; Y354-I375 HydrophobicContact CG-CG2 4.21Å; Y354-I375 PolarHBondContact OH-O 2.88Å; V359-I375 HydrophobicContact CG1-CD1 4.35Å; V359-I375 HydrophobicContact CG2-CD1 4.48Å; L362-I375 HydrophobicContact CD2-CD1 4.08Å; L362-I375 HydrophobicContact CD2-CG1 4.11Å; Y373-I375 HydrophobicContact CD2-CD1 4.37Å; Y373-I375 HydrophobicContact CD2-CG1 3.86Å; Y373-I375 HydrophobicContact CE2-CD1 3.87Å; Y373-I375 HydrophobicContact CE2-CG1 3.87Å |
| 376 | H | 95 | Very high | 92.9 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.9 | 166.5 | 68.9 | -91.4 | 0 | 0 | 0 | 111.9 | V330 A332 E398 | V330-H376 PolarHBondContact O-N 2.71Å; V330-H376 PolarHBondContact O-ND1 2.74Å; A332-H376 PolarHBondContact N-O 3.35Å; H376-E398 IonicContact CD2-OE2 2.9Å; H376-E398 IonicContact CE1-OE2 3.28Å; H376-E398 IonicContact NE2-OE2 2.57Å; H376-E398 PolarHBondContact NE2-OE2 2.96Å |
| 377 | E | 95.3 | Very high | 92.4 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 23% | 0.229 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.7 | 169.9 | -178.7 | -178.3 | -164.9 | 0 | 0 | 109.3 | A332 M334 Y341 K379 K381 | A332-E377 WeakPolarHBondContact O-CA 3.4Å; M334-E377 HydrophobicContact CG-CB 4.48Å; M334-E377 HydrophobicContact CG-CG 3.8Å; Y341-E377 PolarHBondContact OH-OE2 2.58Å; E377-K379 PolarHBondContact O-N 2.95Å; E377-K381 WeakPolarHBondContact OE1-CE 3.34Å; E377-K381 IonicContact OE1-NZ 2.56Å |
| 378 | V | 95.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | trans | -56.8 | 129.9 | 175.3 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | A332 Y333 D380 K381 M395 | A332-V378 PolarHBondContact O-N 2.79Å; Y333-V378 HydrophobicContact CD2-CG1 4.02Å; V378-D380 VanDerWaalsContact C-N 3.35Å; V378-D380 PolarHBondContact O-N 3.03Å; V378-K381 PolarHBondContact O-N 3.46Å; V378-M395 HydrophobicContact CB-CG 3.72Å; V378-M395 HydrophobicContact CG1-CG 4.13Å; V378-M395 HydrophobicContact CG2-CB 4.47Å; V378-M395 HydrophobicContact CG2-CG 3.76Å | ||
| 379 | K | 92.3 | Very high | 91.2 | Very high | 158 Ų | 158 | 60.8 Ų | 60.8 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -38.6 | -166.8 | -69.3 | 171.8 | -179 | 166.1 | 0 | 114.6 | E377 E398 E403 | E377-K379 PolarHBondContact O-N 2.95Å; K379-E398 PolarHBondContact N-OE1 3.44Å; K379-E403 IonicContact NZ-OE2 3.74Å; K379-E403 PolarHBondContact NZ-OE2 2.98Å |
| 380 | D | 90.5 | Very high | 90.8 | Very high | 75 Ų | 75 | 62.2 Ų | 62.2 | 40% | 0.401 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 6.5 | -175.1 | 69.1 | 0.5 | 0 | 0 | 0 | 113.6 | V378 S382 S393 G394 | V378-D380 VanDerWaalsContact C-N 3.35Å; V378-D380 PolarHBondContact O-N 3.03Å; D380-S382 VanDerWaalsContact C-N 3.26Å; D380-S382 PolarHBondContact O-N 3.34Å; D380-S382 WeakPolarHBondContact OD1-CB 3.38Å; D380-S382 PolarHBondContact OD1-N 2.91Å; D380-S382 VanDerWaalsContact OD1-N 3.09Å; D380-S393 WeakPolarHBondContact OD2-CB 3.47Å; D380-G394 WeakPolarHBondContact OD1-CA 3.35Å; D380-G394 PolarHBondContact OD1-N 2.7Å; D380-G394 PolarHBondContact OD2-N 3.3Å |
| 381 | K | 89.3 | Confident | 90.6 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 51.9 | 44.6 | -179.2 | -55.4 | -171.9 | 177.4 | -165.4 | 0 | 112.3 | Y333 E377 V378 | Y333-K381 VanDerWaalsContact CE2-O 3.31Å; Y333-K381 WeakPolarHBondContact CE2-O 3.16Å; E377-K381 WeakPolarHBondContact OE1-CE 3.34Å; E377-K381 IonicContact OE1-NZ 2.56Å; V378-K381 PolarHBondContact O-N 3.46Å |
| 382 | S | 89.3 | Confident | 90.5 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | trans | -131.1 | 148.5 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | D380 G384 G394 M395 | D380-S382 VanDerWaalsContact C-N 3.26Å; D380-S382 PolarHBondContact O-N 3.34Å; D380-S382 WeakPolarHBondContact OD1-CB 3.38Å; D380-S382 PolarHBondContact OD1-N 2.91Å; D380-S382 VanDerWaalsContact OD1-N 3.09Å; S382-G384 VanDerWaalsContact C-N 3.31Å; S382-G384 PolarHBondContact OG-N 2.95Å; S382-G394 WeakPolarHBondContact O-CA 3.28Å; S382-M395 PolarHBondContact O-N 3.23Å | ||
| 383 | Y | 91.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 62.5 Ų | 62.5 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -65.3 | -39.9 | 168.4 | -73.3 | -89.7 | 0 | 0 | 0 | 111.3 | Y333 M395 I396 T409 S410 L411 | Y333-Y383 HydrophobicContact CD1-CD2 4.27Å; Y333-Y383 HydrophobicContact CD1-CE1 4.03Å; Y333-Y383 AromaticContact CD1-CE2 3.46Å; Y333-Y383 HydrophobicContact CD1-CE2 3.46Å; Y333-Y383 VanDerWaalsContact CD1-CE2 3.46Å; Y333-Y383 AromaticContact CD1-CZ 3.31Å; Y333-Y383 VanDerWaalsContact CD1-OH 3.26Å; Y333-Y383 WeakPolarHBondContact CD1-OH 3.21Å; Y333-Y383 HydrophobicContact CD2-CE2 4.46Å; Y333-Y383 HydrophobicContact CE1-CD2 4.33Å; Y333-Y383 AromaticContact CE1-CE2 3.43Å; Y333-Y383 HydrophobicContact CE1-CE2 3.43Å; Y333-Y383 VanDerWaalsContact CE1-CE2 3.43Å; Y333-Y383 AromaticContact CE1-CZ 3.7Å; Y333-Y383 HydrophobicContact CE2-CE2 4.45Å; Y333-Y383 HydrophobicContact CG-CD2 4.37Å; Y333-Y383 HydrophobicContact CG-CE1 4.32Å; Y333-Y383 AromaticContact CG-CE2 3.99Å; Y333-Y383 HydrophobicContact CG-CE2 3.99Å; Y333-Y383 AromaticContact CG-CZ 3.96Å; Y333-Y383 AromaticContact CZ-CE2 3.96Å; Y383-M395 HydrophobicContact CD1-CE 3.2Å; Y383-M395 HydrophobicContact CE1-CE 3.81Å; Y383-M395 HydrophobicContact CG-CE 3.89Å; Y383-M395 PolarHBondContact O-N 2.94Å; Y383-M395 VanDerWaalsContact O-N 3.14Å; Y383-I396 WeakPolarHBondContact O-CG1 3.33Å; Y383-I396 PolarHBondContact O-N 3Å; Y383-T409 HydrophobicContact CD1-CG2 4.47Å; Y383-T409 HydrophobicContact CE1-CG2 4Å; Y383-S410 VanDerWaalsContact CE1-O 3.3Å; Y383-S410 WeakPolarHBondContact CE1-O 3.18Å; Y383-S410 PolarHBondContact OH-OG 2.91Å; Y383-L411 HydrophobicContact CD1-CD1 3.89Å |
| 384 | G | 90.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | 125.6 | 126.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S382 S393 | S382-G384 VanDerWaalsContact C-N 3.31Å; S382-G384 PolarHBondContact OG-N 2.95Å; G384-S393 WeakPolarHBondContact CA-O 3.22Å | ||
| 385 | T | 87.9 | Confident | 90.2 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | trans | -136.3 | 143.2 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | S393 | T385-S393 PolarHBondContact N-OG 3.1Å; T385-S393 VanDerWaalsContact N-OG 3.09Å; T385-S393 PolarHBondContact O-N 3.03Å; T385-S393 PolarHBondContact O-OG 2.97Å; T385-S393 VanDerWaalsContact O-OG 3.14Å; T385-S393 PolarHBondContact OG1-OG 2.78Å | ||
| 386 | P | 88.6 | Confident | 90.1 | Very high | 71 Ų | 71 | 57.8 Ų | 57.8 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 137.1 | 176.1 | 29.7 | -31.9 | 0 | 0 | 0 | 110.3 | R391 W392 | P386-R391 CarbonylContact C-O 3.52Å; P386-R391 WeakPolarHBondContact CA-O 3.48Å; P386-W392 HydrophobicContact CB-CD2 4.17Å; P386-W392 HydrophobicContact CB-CZ2 4.14Å; P386-W392 HydrophobicContact CG-CH2 4.22Å; P386-W392 HydrophobicContact CG-CZ2 4.06Å |
| 387 | D | 85.6 | Confident | 90 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | trans | -78.6 | 174.8 | 166.1 | 73.6 | 10.9 | 0 | 0 | 0 | 111.1 | S389 G390 R391 | D387-S389 PolarHBondContact O-N 2.79Å; D387-S389 VanDerWaalsContact O-N 3.14Å; D387-S389 VanDerWaalsContact OD1-C 3.28Å; D387-S389 VanDerWaalsContact OD1-CA 3.26Å; D387-S389 WeakPolarHBondContact OD1-CA 3.44Å; D387-S389 WeakPolarHBondContact OD1-CB 3.4Å; D387-S389 PolarHBondContact OD1-N 2.85Å; D387-S389 PolarHBondContact OD1-OG 3.5Å; D387-S389 PolarHBondContact OD2-OG 3.4Å; D387-G390 PolarHBondContact O-N 3.33Å; D387-G390 PolarHBondContact OD1-N 2.92Å; D387-R391 PolarHBondContact N-O 3.06Å; D387-R391 PolarHBondContact OD1-N 2.89Å; D387-R391 IonicContact OD2-CZ 3.99Å; D387-R391 IonicContact OD2-NE 3.56Å; D387-R391 PolarHBondContact OD2-NE 3.07Å; D387-R391 IonicContact OD2-NH2 2.77Å | ||
| 388 | A | 83.2 | Confident | 90.1 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 98% | 0.983 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 389 | S | 80.6 | Confident | 90 | Very high | 78 Ų | 78 | 53 Ų | 53 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.4 | 174.7 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | D387 R391 | D387-S389 PolarHBondContact O-N 2.79Å; D387-S389 VanDerWaalsContact O-N 3.14Å; D387-S389 VanDerWaalsContact OD1-C 3.28Å; D387-S389 VanDerWaalsContact OD1-CA 3.26Å; D387-S389 WeakPolarHBondContact OD1-CA 3.44Å; D387-S389 WeakPolarHBondContact OD1-CB 3.4Å; D387-S389 PolarHBondContact OD1-N 2.85Å; D387-S389 PolarHBondContact OD1-OG 3.5Å; D387-S389 PolarHBondContact OD2-OG 3.4Å; S389-R391 VanDerWaalsContact C-N 3.32Å; S389-R391 PolarHBondContact OG-NE 2.92Å; S389-R391 VanDerWaalsContact OG-NE 3.09Å |
| 390 | G | 82.2 | Confident | 89.9 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 81 | 5.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D387 | D387-G390 PolarHBondContact O-N 3.33Å; D387-G390 PolarHBondContact OD1-N 2.92Å |
| 391 | R | 87.1 | Confident | 89.8 | Confident | 178 Ų | 178 | 48.9 Ų | 48.9 | 67% | 0.672 | 28% | 0.275 | S | S | * | . | trans | -81.2 | 137.6 | 175.4 | -64.1 | -178.3 | -63.7 | -173.8 | -0.2 | 109.9 | P386 D387 S389 | P386-R391 CarbonylContact C-O 3.52Å; P386-R391 WeakPolarHBondContact CA-O 3.48Å; D387-R391 PolarHBondContact N-O 3.06Å; D387-R391 PolarHBondContact OD1-N 2.89Å; D387-R391 IonicContact OD2-CZ 3.99Å; D387-R391 IonicContact OD2-NE 3.56Å; D387-R391 PolarHBondContact OD2-NE 3.07Å; D387-R391 IonicContact OD2-NH2 2.77Å; S389-R391 VanDerWaalsContact C-N 3.32Å; S389-R391 PolarHBondContact OG-NE 2.92Å; S389-R391 VanDerWaalsContact OG-NE 3.09Å | ||
| 392 | W | 92 | Very high | 89.7 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 132.5 | -178 | -73 | 76.1 | 0 | 0 | 0 | 111.8 | P386 I396 G397 I400 R401 A416 R417 V420 | P386-W392 HydrophobicContact CB-CD2 4.17Å; P386-W392 HydrophobicContact CB-CZ2 4.14Å; P386-W392 HydrophobicContact CG-CH2 4.22Å; P386-W392 HydrophobicContact CG-CZ2 4.06Å; W392-I396 HydrophobicContact CB-CG2 4.12Å; W392-I396 HydrophobicContact CD2-CB 4.48Å; W392-I396 HydrophobicContact CD2-CG2 3.69Å; W392-I396 HydrophobicContact CE3-CB 3.86Å; W392-I396 HydrophobicContact CE3-CG1 4.27Å; W392-I396 HydrophobicContact CE3-CG2 3.44Å; W392-I396 VanDerWaalsContact CE3-CG2 3.44Å; W392-I396 HydrophobicContact CG-CG2 4.01Å; W392-I396 HydrophobicContact CZ3-CB 4.48Å; W392-I396 HydrophobicContact CZ3-CG1 4.42Å; W392-I396 HydrophobicContact CZ3-CG2 4.05Å; W392-G397 WeakPolarHBondContact O-CA 3.4Å; W392-I400 HydrophobicContact CB-CD1 3.78Å; W392-I400 HydrophobicContact CG-CD1 3.73Å; W392-R401 PolarHBondContact O-NH1 3.06Å; W392-A416 HydrophobicContact CH2-CB 4.17Å; W392-A416 WeakPolarHBondContact CZ2-O 3.26Å; W392-R417 HydrophobicContact CH2-CG 4.15Å; W392-R417 HydrophobicContact CZ3-CG 4.02Å; W392-V420 HydrophobicContact CD2-CG2 4.2Å; W392-V420 HydrophobicContact CH2-CG2 4.49Å; W392-V420 HydrophobicContact CZ2-CG1 4.44Å; W392-V420 HydrophobicContact CZ2-CG2 3.9Å |
| 393 | S | 92.2 | Very high | 89.7 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | trans | -80.9 | 179.3 | 166.5 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | D380 G384 T385 G397 | D380-S393 WeakPolarHBondContact OD2-CB 3.47Å; G384-S393 WeakPolarHBondContact CA-O 3.22Å; T385-S393 PolarHBondContact N-OG 3.1Å; T385-S393 VanDerWaalsContact N-OG 3.09Å; T385-S393 PolarHBondContact O-N 3.03Å; T385-S393 PolarHBondContact O-OG 2.97Å; T385-S393 VanDerWaalsContact O-OG 3.14Å; T385-S393 PolarHBondContact OG1-OG 2.78Å; S393-G397 PolarHBondContact O-N 3.41Å | ||
| 394 | G | 93.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | 67.1 | -162.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D380 S382 I396 G397 E398 | D380-G394 WeakPolarHBondContact OD1-CA 3.35Å; D380-G394 PolarHBondContact OD1-N 2.7Å; D380-G394 PolarHBondContact OD2-N 3.3Å; S382-G394 WeakPolarHBondContact O-CA 3.28Å; G394-I396 PolarHBondContact O-N 3.49Å; G394-G397 WeakPolarHBondContact O-CA 3.14Å; G394-G397 PolarHBondContact O-N 3.16Å; G394-E398 PolarHBondContact O-N 2.96Å |
| 395 | M | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -37 | 178.3 | -62.7 | -179.2 | -71.8 | 0 | 0 | 111.6 | T331 Y333 V378 S382 Y383 G397 E398 L399 A407 T409 L411 | T331-M395 HydrophobicContact CG2-CB 3.71Å; T331-M395 HydrophobicContact CG2-CG 3.9Å; Y333-M395 PolarHBondContact N-SD 3.14Å; Y333-M395 VanDerWaalsContact N-SD 3.4Å; V378-M395 HydrophobicContact CB-CG 3.72Å; V378-M395 HydrophobicContact CG1-CG 4.13Å; V378-M395 HydrophobicContact CG2-CB 4.47Å; V378-M395 HydrophobicContact CG2-CG 3.76Å; S382-M395 PolarHBondContact O-N 3.23Å; Y383-M395 HydrophobicContact CD1-CE 3.2Å; Y383-M395 HydrophobicContact CE1-CE 3.81Å; Y383-M395 HydrophobicContact CG-CE 3.89Å; Y383-M395 PolarHBondContact O-N 2.94Å; Y383-M395 VanDerWaalsContact O-N 3.14Å; M395-G397 VanDerWaalsContact C-N 3.3Å; M395-G397 PolarHBondContact O-N 3.27Å; M395-E398 PolarHBondContact O-N 3.18Å; M395-L399 WeakPolarHBondContact O-CG 3.5Å; M395-L399 PolarHBondContact O-N 2.87Å; M395-A407 HydrophobicContact CB-CB 4.31Å; M395-A407 HydrophobicContact SD-CB 4.46Å; M395-T409 HydrophobicContact CE-CG2 3.36Å; M395-T409 HydrophobicContact SD-CG2 3.49Å; M395-T409 WeakPolarHBondContact SD-CG2 3.07Å; M395-L411 HydrophobicContact CE-CD1 4.12Å |
| 396 | I | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 174.2 | -56.6 | -60.1 | 0 | 0 | 0 | 110.2 | Y383 W392 G394 L399 I400 L411 R417 V420 I421 | Y383-I396 WeakPolarHBondContact O-CG1 3.33Å; Y383-I396 PolarHBondContact O-N 3Å; W392-I396 HydrophobicContact CB-CG2 4.12Å; W392-I396 HydrophobicContact CD2-CB 4.48Å; W392-I396 HydrophobicContact CD2-CG2 3.69Å; W392-I396 HydrophobicContact CE3-CB 3.86Å; W392-I396 HydrophobicContact CE3-CG1 4.27Å; W392-I396 HydrophobicContact CE3-CG2 3.44Å; W392-I396 VanDerWaalsContact CE3-CG2 3.44Å; W392-I396 HydrophobicContact CG-CG2 4.01Å; W392-I396 HydrophobicContact CZ3-CB 4.48Å; W392-I396 HydrophobicContact CZ3-CG1 4.42Å; W392-I396 HydrophobicContact CZ3-CG2 4.05Å; G394-I396 PolarHBondContact O-N 3.49Å; I396-L399 PolarHBondContact O-N 2.85Å; I396-I400 HydrophobicContact CG2-CD1 3.93Å; I396-I400 WeakPolarHBondContact O-CG1 3.44Å; I396-I400 PolarHBondContact O-N 3.05Å; I396-L411 HydrophobicContact CD1-CD1 4.12Å; I396-L411 HydrophobicContact CD1-CD2 4.13Å; I396-R417 HydrophobicContact CD1-CB 4.28Å; I396-R417 HydrophobicContact CD1-CG 4.02Å; I396-R417 HydrophobicContact CG1-CG 4.21Å; I396-V420 HydrophobicContact CG2-CG2 3.78Å; I396-I421 HydrophobicContact CD1-CD1 3.33Å; I396-I421 HydrophobicContact CD1-CG1 4.03Å; I396-I421 HydrophobicContact CG2-CG2 4.17Å |
| 397 | G | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W392 S393 G394 M395 L399 I400 R401 | W392-G397 WeakPolarHBondContact O-CA 3.4Å; S393-G397 PolarHBondContact O-N 3.41Å; G394-G397 WeakPolarHBondContact O-CA 3.14Å; G394-G397 PolarHBondContact O-N 3.16Å; M395-G397 VanDerWaalsContact C-N 3.3Å; M395-G397 PolarHBondContact O-N 3.27Å; G397-L399 VanDerWaalsContact C-N 3.34Å; G397-L399 PolarHBondContact O-N 3.08Å; G397-I400 PolarHBondContact O-N 3.18Å; G397-R401 VanDerWaalsContact C-NH1 3.3Å; G397-R401 VanDerWaalsContact CA-NH1 3.31Å; G397-R401 WeakPolarHBondContact O-CB 3.39Å; G397-R401 VanDerWaalsContact O-CG 3.29Å; G397-R401 WeakPolarHBondContact O-CG 3.28Å; G397-R401 VanDerWaalsContact O-CZ 3.3Å; G397-R401 PolarHBondContact O-N 2.99Å; G397-R401 PolarHBondContact O-NH1 3.31Å |
| 398 | E | 95.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 178.4 | -70.7 | -174.7 | -177.6 | 0 | 0 | 112.5 | T331 H376 K379 G394 M395 G402 E403 A404 | T331-E398 WeakPolarHBondContact CB-OE2 3.39Å; T331-E398 PolarHBondContact OG1-OE2 3.4Å; H376-E398 IonicContact CD2-OE2 2.9Å; H376-E398 IonicContact CE1-OE2 3.28Å; H376-E398 IonicContact NE2-OE2 2.57Å; H376-E398 PolarHBondContact NE2-OE2 2.96Å; K379-E398 PolarHBondContact N-OE1 3.44Å; G394-E398 PolarHBondContact O-N 2.96Å; M395-E398 PolarHBondContact O-N 3.18Å; E398-G402 PolarHBondContact O-N 3.18Å; E398-E403 HydrophobicContact CB-CB 4.08Å; E398-E403 HydrophobicContact CG-CB 4.32Å; E398-E403 PolarHBondContact O-N 3.43Å; E398-A404 HydrophobicContact CB-CB 4.35Å; E398-A404 PolarHBondContact O-N 3.16Å |
| 399 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 173.9 | -71.6 | 175.4 | 0 | 0 | 0 | 112 | M395 I396 G397 R401 G402 A404 A407 I421 R661 | M395-L399 WeakPolarHBondContact O-CG 3.5Å; M395-L399 PolarHBondContact O-N 2.87Å; I396-L399 PolarHBondContact O-N 2.85Å; G397-L399 VanDerWaalsContact C-N 3.34Å; G397-L399 PolarHBondContact O-N 3.08Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.2Å; L399-G402 PolarHBondContact O-N 2.92Å; L399-A404 HydrophobicContact CD2-CB 4.15Å; L399-A407 HydrophobicContact CD1-CB 3.78Å; L399-A407 HydrophobicContact CG-CB 4.32Å; L399-I421 HydrophobicContact CB-CG2 3.9Å; L399-I421 HydrophobicContact CD1-CD1 3.85Å; L399-I421 HydrophobicContact CD1-CG2 4.13Å; L399-R661 HydrophobicContact CD2-CG 4.25Å; L399-R661 WeakPolarHBondContact O-CG 3.34Å; L399-R661 PolarHBondContact O-NE 3.32Å |
| 400 | I | 89.4 | Confident | 92.4 | Very high | 50 Ų | 50 | 25.8 Ų | 25.8 | 26% | 0.256 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60 | -47.1 | 177 | -67 | 163.4 | 0 | 0 | 0 | 109.7 | Q118 W392 I396 G397 G402 V420 I421 | Q118-I400 PolarHBondContact OE1-O 3.37Å; W392-I400 HydrophobicContact CB-CD1 3.78Å; W392-I400 HydrophobicContact CG-CD1 3.73Å; I396-I400 HydrophobicContact CG2-CD1 3.93Å; I396-I400 WeakPolarHBondContact O-CG1 3.44Å; I396-I400 PolarHBondContact O-N 3.05Å; G397-I400 PolarHBondContact O-N 3.18Å; I400-G402 PolarHBondContact O-N 3.46Å; I400-V420 HydrophobicContact CD1-CB 3.82Å; I400-V420 HydrophobicContact CD1-CG2 3.88Å; I400-V420 HydrophobicContact CG1-CB 4.35Å; I400-I421 HydrophobicContact CG1-CG2 4.08Å |
| 401 | R | 88.4 | Confident | 93.1 | Very high | 95 Ų | 95 | 23.4 Ų | 23.4 | 36% | 0.358 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -70.7 | -10.4 | -179.4 | -68.4 | -173.8 | -58.6 | -86.1 | -1.3 | 114 | Q118 W392 G397 L399 E403 | Q118-R401 PolarHBondContact NE2-O 3.37Å; W392-R401 PolarHBondContact O-NH1 3.06Å; G397-R401 VanDerWaalsContact C-NH1 3.3Å; G397-R401 VanDerWaalsContact CA-NH1 3.31Å; G397-R401 WeakPolarHBondContact O-CB 3.39Å; G397-R401 VanDerWaalsContact O-CG 3.29Å; G397-R401 WeakPolarHBondContact O-CG 3.28Å; G397-R401 VanDerWaalsContact O-CZ 3.3Å; G397-R401 PolarHBondContact O-N 2.99Å; G397-R401 PolarHBondContact O-NH1 3.31Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.2Å; R401-E403 VanDerWaalsContact C-N 3.26Å; R401-E403 HydrophobicContact CB-CG 4.12Å; R401-E403 WeakPolarHBondContact CD-OE1 3.5Å; R401-E403 IonicContact CZ-OE1 3.88Å; R401-E403 IonicContact NE-OE1 3.98Å; R401-E403 PolarHBondContact NE-OE1 2.93Å; R401-E403 IonicContact NH2-OE1 2.85Å; R401-E403 PolarHBondContact O-N 2.92Å |
| 402 | G | 86.1 | Confident | 93.4 | Very high | 14 Ų | 14 | 15.1 Ų | 15.1 | 14% | 0.144 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 21.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R329 E398 L399 I400 A404 | R329-G402 VanDerWaalsContact CZ-O 3.28Å; R329-G402 PolarHBondContact NH1-O 3.36Å; R329-G402 PolarHBondContact NH2-O 2.78Å; E398-G402 PolarHBondContact O-N 3.18Å; L399-G402 PolarHBondContact O-N 2.92Å; I400-G402 PolarHBondContact O-N 3.46Å; G402-A404 VanDerWaalsContact C-N 3.32Å |
| 403 | E | 90.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 15.7 Ų | 15.7 | 26% | 0.262 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -75 | -28.3 | 171.2 | -65.5 | 178.1 | -141 | 0 | 0 | 111.2 | R329 K379 E398 R401 | R329-E403 PolarHBondContact NH1-O 2.77Å; K379-E403 IonicContact NZ-OE2 3.74Å; K379-E403 PolarHBondContact NZ-OE2 2.98Å; E398-E403 HydrophobicContact CB-CB 4.08Å; E398-E403 HydrophobicContact CG-CB 4.32Å; E398-E403 PolarHBondContact O-N 3.43Å; R401-E403 VanDerWaalsContact C-N 3.26Å; R401-E403 HydrophobicContact CB-CG 4.12Å; R401-E403 WeakPolarHBondContact CD-OE1 3.5Å; R401-E403 IonicContact CZ-OE1 3.88Å; R401-E403 IonicContact NE-OE1 3.98Å; R401-E403 PolarHBondContact NE-OE1 2.93Å; R401-E403 IonicContact NH2-OE1 2.85Å; R401-E403 PolarHBondContact O-N 2.92Å |
| 404 | A | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -127.4 | 154.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | T331 E398 L399 G402 R661 | T331-A404 HydrophobicContact CG2-CB 3.6Å; E398-A404 HydrophobicContact CB-CB 4.35Å; E398-A404 PolarHBondContact O-N 3.16Å; L399-A404 HydrophobicContact CD2-CB 4.15Å; G402-A404 VanDerWaalsContact C-N 3.32Å; A404-R661 WeakPolarHBondContact O-CD 3.47Å | ||
| 405 | D | 93 | Very high | 93.1 | Very high | 24 Ų | 24 | 24.5 Ų | 24.5 | 13% | 0.128 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -97.3 | -38.2 | 178 | -55.4 | -54.3 | 0 | 0 | 0 | 111 | L328 R329 R661 | L328-D405 HydrophobicContact CD2-CB 4.23Å; R329-D405 WeakPolarHBondContact CB-OD2 3.49Å; R329-D405 IonicContact CZ-OD1 3.91Å; R329-D405 IonicContact CZ-OD2 3.25Å; R329-D405 PolarHBondContact N-OD2 3.31Å; R329-D405 IonicContact NE-OD1 2.9Å; R329-D405 IonicContact NE-OD2 3.94Å; R329-D405 PolarHBondContact NE-OD2 3.47Å; R329-D405 IonicContact NH2-OD1 2.99Å; R329-D405 PolarHBondContact NH2-OD1 3.24Å; R329-D405 IonicContact NH2-OD2 2.77Å; R329-D405 PolarHBondContact O-N 3.31Å; D405-R661 PolarHBondContact O-N 2.9Å |
| 406 | I | 96.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.8 | 174.9 | 63.7 | 175.1 | 0 | 0 | 0 | 111.8 | L328 R329 V330 T331 L362 V408 I658 G659 L660 I670 | L328-I406 HydrophobicContact CD1-CD1 4.13Å; L328-I406 HydrophobicContact CD1-CG2 4.39Å; R329-I406 PolarHBondContact O-N 2.87Å; V330-I406 WeakPolarHBondContact CA-O 3.45Å; V330-I406 HydrophobicContact CB-CG1 4.28Å; V330-I406 HydrophobicContact CG1-CG1 4.21Å; V330-I406 HydrophobicContact CG2-CD1 3.79Å; V330-I406 HydrophobicContact CG2-CG1 3.64Å; T331-I406 PolarHBondContact N-O 2.93Å; L362-I406 HydrophobicContact CD1-CD1 4.03Å; I406-V408 HydrophobicContact CD1-CG2 3.93Å; I406-V408 HydrophobicContact CG1-CG2 4.25Å; I406-I658 HydrophobicContact CB-CG2 4.21Å; I406-G659 CarbonylContact C-O 3.6Å; I406-G659 WeakPolarHBondContact CA-O 3.46Å; I406-L660 HydrophobicContact CG2-CD2 4.14Å; I406-L660 HydrophobicContact CG2-CG 4.13Å; I406-I670 HydrophobicContact CG2-CD1 4.21Å |
| 407 | A | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T331 M395 L399 L411 G659 | T331-A407 HydrophobicContact CG2-CB 3.62Å; T331-A407 WeakPolarHBondContact O-CA 3.17Å; M395-A407 HydrophobicContact CB-CB 4.31Å; M395-A407 HydrophobicContact SD-CB 4.46Å; L399-A407 HydrophobicContact CD1-CB 3.78Å; L399-A407 HydrophobicContact CG-CB 4.32Å; A407-L411 HydrophobicContact CB-CD2 4.14Å; A407-G659 PolarHBondContact N-O 3.18Å; A407-G659 PolarHBondContact O-N 2.59Å |
| 408 | V | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | trans | -123.8 | 101.4 | -176.8 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | V330 T331 I339 C358 L362 I406 I658 | V330-V408 HydrophobicContact CG1-CB 4.13Å; V330-V408 HydrophobicContact CG1-CG2 3.98Å; T331-V408 PolarHBondContact O-N 3.09Å; I339-V408 WeakPolarHBondContact CD1-O 3.35Å; C358-V408 HydrophobicContact CB-CG1 4.06Å; L362-V408 HydrophobicContact CB-CG1 4.42Å; L362-V408 HydrophobicContact CD1-CG2 4.26Å; I406-V408 HydrophobicContact CD1-CG2 3.93Å; I406-V408 HydrophobicContact CG1-CG2 4.25Å; V408-I658 HydrophobicContact CG1-CG1 4.42Å; V408-I658 HydrophobicContact CG2-CG1 4.26Å; V408-I658 HydrophobicContact CG2-CG2 3.93Å | ||
| 409 | T | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -165.3 | -166.7 | 176 | -175 | 0 | 0 | 0 | 0 | 108.2 | Y333 C358 Y383 M395 L411 F427 | Y333-T409 PolarHBondContact O-OG1 2.83Å; Y333-T409 VanDerWaalsContact O-OG1 3.05Å; C358-T409 VanDerWaalsContact SG-CA 3.54Å; Y383-T409 HydrophobicContact CD1-CG2 4.47Å; Y383-T409 HydrophobicContact CE1-CG2 4Å; M395-T409 HydrophobicContact CE-CG2 3.36Å; M395-T409 HydrophobicContact SD-CG2 3.49Å; M395-T409 WeakPolarHBondContact SD-CG2 3.07Å; T409-L411 HydrophobicContact CG2-CB 4.14Å; T409-L411 PolarHBondContact O-N 3.04Å; T409-F427 WeakPolarHBondContact O-CZ 3.45Å |
| 410 | S | 94.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -67.5 | 50.4 | 169.1 | 47.1 | 0 | 0 | 0 | 0 | 113 | Y383 T412 Y656 | Y383-S410 VanDerWaalsContact CE1-O 3.3Å; Y383-S410 WeakPolarHBondContact CE1-O 3.18Å; Y383-S410 PolarHBondContact OH-OG 2.91Å; S410-T412 PolarHBondContact O-N 2.84Å; S410-Y656 WeakPolarHBondContact O-CE1 3.28Å |
| 411 | L | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -84.5 | 102.2 | -178.3 | -175.4 | 64.9 | 0 | 0 | 0 | 110.3 | Y383 M395 I396 A407 T409 I413 I421 F423 Y656 G657 | Y383-L411 HydrophobicContact CD1-CD1 3.89Å; M395-L411 HydrophobicContact CE-CD1 4.12Å; I396-L411 HydrophobicContact CD1-CD1 4.12Å; I396-L411 HydrophobicContact CD1-CD2 4.13Å; A407-L411 HydrophobicContact CB-CD2 4.14Å; T409-L411 HydrophobicContact CG2-CB 4.14Å; T409-L411 PolarHBondContact O-N 3.04Å; L411-I413 PolarHBondContact O-N 3.22Å; L411-I421 HydrophobicContact CD2-CD1 4.45Å; L411-F423 HydrophobicContact CD2-CE1 3.6Å; L411-F423 HydrophobicContact CD2-CZ 4.06Å; L411-F423 HydrophobicContact CG-CE1 3.83Å; L411-F423 HydrophobicContact CG-CZ 4.22Å; L411-Y656 WeakPolarHBondContact O-CA 3.27Å; L411-G657 PolarHBondContact O-N 3.31Å | ||
| 412 | T | 95.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -62.2 | 126.5 | 176.7 | -30.6 | 0 | 0 | 0 | 0 | 111.4 | S410 S414 R417 S581 E630 K654 | S410-T412 PolarHBondContact O-N 2.84Å; T412-S414 PolarHBondContact O-N 2.96Å; T412-R417 PolarHBondContact O-NH1 3.45Å; T412-S581 PolarHBondContact OG1-OG 2.88Å; T412-E630 WeakPolarHBondContact CG2-OE1 3.38Å; T412-E630 PolarHBondContact OG1-OE1 3.11Å; T412-K654 HydrophobicContact CG2-CB 4.21Å; T412-K654 HydrophobicContact CG2-CD 3.84Å; T412-K654 HydrophobicContact CG2-CG 4.23Å |
| 413 | I | 93.7 | Very high | 92.6 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 23% | 0.231 | 16% | 0.157 | C | C | . | . | trans | -68.7 | 126.9 | 170.3 | -58.4 | 163.7 | 0 | 0 | 0 | 108 | L411 F423 P426 G655 | L411-I413 PolarHBondContact O-N 3.22Å; I413-F423 HydrophobicContact CG1-CB 4.26Å; I413-F423 HydrophobicContact CG1-CD1 3.72Å; I413-F423 HydrophobicContact CG1-CE1 4.09Å; I413-F423 HydrophobicContact CG1-CG 3.92Å; I413-F423 HydrophobicContact CG2-CD2 4.19Å; I413-F423 HydrophobicContact CG2-CG 4.33Å; I413-P426 HydrophobicContact CD1-CB 4.03Å; I413-P426 HydrophobicContact CD1-CG 3.69Å; I413-G655 WeakPolarHBondContact CG1-O 3.35Å; I413-G655 PolarHBondContact N-O 3.31Å | ||
| 414 | S | 90.9 | Very high | 92.8 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 28% | 0.28 | 15% | 0.147 | S | C | . | . | trans | -145.9 | 152.9 | 178.1 | 69.9 | 0 | 0 | 0 | 0 | 109.7 | T412 A416 R417 S418 | T412-S414 PolarHBondContact O-N 2.96Å; S414-A416 PolarHBondContact O-N 3.41Å; S414-R417 PolarHBondContact O-N 3Å; S414-R417 VanDerWaalsContact O-N 3.16Å; S414-R417 WeakPolarHBondContact OG-CB 3.43Å; S414-R417 WeakPolarHBondContact OG-CD 3.48Å; S414-R417 VanDerWaalsContact OG-CG 3.3Å; S414-R417 WeakPolarHBondContact OG-CG 3.39Å; S414-S418 PolarHBondContact O-N 3.24Å; S414-S418 PolarHBondContact O-OG 2.96Å | ||
| 415 | Y | 87.1 | Confident | 92.8 | Very high | 181 Ų | 181 | 30.2 Ų | 30.2 | 71% | 0.71 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -52 | -54.8 | -178.7 | 178.1 | -99.6 | 0 | 0 | 0 | 112.6 | R417 S418 E419 | Y415-R417 VanDerWaalsContact C-N 3.25Å; Y415-R417 PolarHBondContact O-N 3.3Å; Y415-S418 WeakPolarHBondContact O-CB 3.4Å; Y415-S418 PolarHBondContact O-N 2.78Å; Y415-E419 HydrophobicContact CD1-CG 4.49Å; Y415-E419 HydrophobicContact CE1-CG 4.1Å; Y415-E419 PolarHBondContact O-N 3.48Å; Y415-E419 VanDerWaalsContact O-N 3.08Å; Y415-E419 PolarHBondContact OH-OE1 3.06Å |
| 416 | A | 88.3 | Confident | 93 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.8 | -33.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W392 S414 | W392-A416 HydrophobicContact CH2-CB 4.17Å; W392-A416 WeakPolarHBondContact CZ2-O 3.26Å; S414-A416 PolarHBondContact O-N 3.41Å |
| 417 | R | 92.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.3 | -41.5 | 174.6 | -68.5 | 174.7 | 175.7 | 167.5 | -3 | 111.1 | W392 I396 T412 S414 Y415 E419 V420 I421 F423 | W392-R417 HydrophobicContact CH2-CG 4.15Å; W392-R417 HydrophobicContact CZ3-CG 4.02Å; I396-R417 HydrophobicContact CD1-CB 4.28Å; I396-R417 HydrophobicContact CD1-CG 4.02Å; I396-R417 HydrophobicContact CG1-CG 4.21Å; T412-R417 PolarHBondContact O-NH1 3.45Å; S414-R417 PolarHBondContact O-N 3Å; S414-R417 VanDerWaalsContact O-N 3.16Å; S414-R417 WeakPolarHBondContact OG-CB 3.43Å; S414-R417 WeakPolarHBondContact OG-CD 3.48Å; S414-R417 VanDerWaalsContact OG-CG 3.3Å; S414-R417 WeakPolarHBondContact OG-CG 3.39Å; Y415-R417 VanDerWaalsContact C-N 3.25Å; Y415-R417 PolarHBondContact O-N 3.3Å; R417-E419 PolarHBondContact O-N 3.26Å; R417-V420 WeakPolarHBondContact O-CG2 3.44Å; R417-V420 PolarHBondContact O-N 3.47Å; R417-V420 VanDerWaalsContact O-N 3.16Å; R417-I421 WeakPolarHBondContact O-CG1 3.28Å; R417-I421 PolarHBondContact O-N 2.92Å; R417-F423 HydrophobicContact CB-CE2 3.74Å; R417-F423 HydrophobicContact CB-CZ 3.91Å |
| 418 | S | 89.5 | Confident | 92.8 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.7 | -18.3 | 179.2 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | S414 Y415 I421 F423 K662 | S414-S418 PolarHBondContact O-N 3.24Å; S414-S418 PolarHBondContact O-OG 2.96Å; Y415-S418 WeakPolarHBondContact O-CB 3.4Å; Y415-S418 PolarHBondContact O-N 2.78Å; S418-I421 CarbonylContact C-O 3.51Å; S418-I421 WeakPolarHBondContact CA-O 3.37Å; S418-F423 WeakPolarHBondContact OG-CD2 3.42Å; S418-K662 PolarHBondContact O-NZ 2.79Å |
| 419 | E | 86.8 | Confident | 92.7 | Very high | 112 Ų | 112 | 37.3 Ų | 37.3 | 52% | 0.523 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.1 | -35.3 | 172.3 | -70.3 | -172 | 109.3 | 0 | 0 | 112.1 | Y415 R417 | Y415-E419 HydrophobicContact CD1-CG 4.49Å; Y415-E419 HydrophobicContact CE1-CG 4.1Å; Y415-E419 PolarHBondContact O-N 3.48Å; Y415-E419 VanDerWaalsContact O-N 3.08Å; Y415-E419 PolarHBondContact OH-OE1 3.06Å; R417-E419 PolarHBondContact O-N 3.26Å |
| 420 | V | 88.3 | Confident | 92.7 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -107.1 | -20.6 | -171.4 | -63 | 0 | 0 | 0 | 0 | 114.5 | W392 I396 I400 R417 | W392-V420 HydrophobicContact CD2-CG2 4.2Å; W392-V420 HydrophobicContact CH2-CG2 4.49Å; W392-V420 HydrophobicContact CZ2-CG1 4.44Å; W392-V420 HydrophobicContact CZ2-CG2 3.9Å; I396-V420 HydrophobicContact CG2-CG2 3.78Å; I400-V420 HydrophobicContact CD1-CB 3.82Å; I400-V420 HydrophobicContact CD1-CG2 3.88Å; I400-V420 HydrophobicContact CG1-CB 4.35Å; R417-V420 WeakPolarHBondContact O-CG2 3.44Å; R417-V420 PolarHBondContact O-N 3.47Å; R417-V420 VanDerWaalsContact O-N 3.16Å |
| 421 | I | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 168.9 | 173 | 63 | 153.6 | 0 | 0 | 0 | 110 | I396 L399 I400 L411 R417 S418 F423 L660 K662 | I396-I421 HydrophobicContact CD1-CD1 3.33Å; I396-I421 HydrophobicContact CD1-CG1 4.03Å; I396-I421 HydrophobicContact CG2-CG2 4.17Å; L399-I421 HydrophobicContact CB-CG2 3.9Å; L399-I421 HydrophobicContact CD1-CD1 3.85Å; L399-I421 HydrophobicContact CD1-CG2 4.13Å; I400-I421 HydrophobicContact CG1-CG2 4.08Å; L411-I421 HydrophobicContact CD2-CD1 4.45Å; R417-I421 WeakPolarHBondContact O-CG1 3.28Å; R417-I421 PolarHBondContact O-N 2.92Å; S418-I421 CarbonylContact C-O 3.51Å; S418-I421 WeakPolarHBondContact CA-O 3.37Å; I421-F423 HydrophobicContact CD1-CD2 4.39Å; I421-F423 HydrophobicContact CD1-CE1 4.13Å; I421-F423 HydrophobicContact CD1-CE2 3.75Å; I421-F423 HydrophobicContact CD1-CZ 3.61Å; I421-F423 HydrophobicContact CG1-CD2 4.48Å; I421-F423 HydrophobicContact CG1-CE2 3.91Å; I421-F423 HydrophobicContact CG1-CZ 4.26Å; I421-L660 WeakPolarHBondContact CB-O 3.41Å; I421-K662 PolarHBondContact O-NZ 2.69Å |
| 422 | D | 92 | Very high | 92.7 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 156.1 | 170 | -74.3 | -28.1 | 0 | 0 | 0 | 110.7 | G659 L660 K662 G663 | D422-G659 CarbonylContact O-C 3.24Å; D422-L660 PolarHBondContact N-O 3.36Å; D422-L660 PolarHBondContact O-N 2.84Å; D422-K662 WeakPolarHBondContact OD1-CD 3.5Å; D422-K662 WeakPolarHBondContact OD1-CE 3.44Å; D422-K662 IonicContact OD1-NZ 3.89Å; D422-K662 PolarHBondContact OD1-NZ 3.27Å; D422-G663 PolarHBondContact OD2-N 3.06Å |
| 423 | F | 95.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.9 | 175.2 | -75.7 | -85.5 | 0 | 0 | 0 | 110.7 | L411 I413 R417 S418 I421 I658 R667 | L411-F423 HydrophobicContact CD2-CE1 3.6Å; L411-F423 HydrophobicContact CD2-CZ 4.06Å; L411-F423 HydrophobicContact CG-CE1 3.83Å; L411-F423 HydrophobicContact CG-CZ 4.22Å; I413-F423 HydrophobicContact CG1-CB 4.26Å; I413-F423 HydrophobicContact CG1-CD1 3.72Å; I413-F423 HydrophobicContact CG1-CE1 4.09Å; I413-F423 HydrophobicContact CG1-CG 3.92Å; I413-F423 HydrophobicContact CG2-CD2 4.19Å; I413-F423 HydrophobicContact CG2-CG 4.33Å; R417-F423 HydrophobicContact CB-CE2 3.74Å; R417-F423 HydrophobicContact CB-CZ 3.91Å; S418-F423 WeakPolarHBondContact OG-CD2 3.42Å; I421-F423 HydrophobicContact CD1-CD2 4.39Å; I421-F423 HydrophobicContact CD1-CE1 4.13Å; I421-F423 HydrophobicContact CD1-CE2 3.75Å; I421-F423 HydrophobicContact CD1-CZ 3.61Å; I421-F423 HydrophobicContact CG1-CD2 4.48Å; I421-F423 HydrophobicContact CG1-CE2 3.91Å; I421-F423 HydrophobicContact CG1-CZ 4.26Å; F423-I658 WeakPolarHBondContact CA-O 3.28Å; F423-R667 PolarHBondContact O-NE 3.26Å; F423-R667 VanDerWaalsContact O-NE 3.08Å |
| 424 | S | 95.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 170.3 | 158.5 | 73.2 | 0 | 0 | 0 | 0 | 110.7 | I658 S671 | S424-I658 PolarHBondContact N-O 3.45Å; S424-I658 WeakPolarHBondContact OG-CB 3.16Å; S424-I658 PolarHBondContact OG-N 2.91Å; S424-S671 VanDerWaalsContact CA-OG 3.27Å; S424-S671 WeakPolarHBondContact CA-OG 3.31Å |
| 425 | V | 94.8 | Very high | 92.9 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -54.8 | 151.1 | 159.9 | -64 | 0 | 0 | 0 | 0 | 110.5 | F427 S671 V674 L675 | V425-F427 PolarHBondContact O-N 3.42Å; V425-S671 WeakPolarHBondContact CG2-O 3.47Å; V425-S671 PolarHBondContact N-OG 3.24Å; V425-V674 HydrophobicContact CG2-CB 3.93Å; V425-V674 HydrophobicContact CG2-CG1 3.84Å; V425-L675 HydrophobicContact CG2-CD2 3.95Å; V425-L675 HydrophobicContact CG2-CG 3.89Å |
| 426 | P | 95.9 | Very high | 93.2 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 24% | 0.24 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 128.1 | 179.8 | -16.2 | 26.6 | 0 | 0 | 0 | 111.3 | I413 Y656 Q678 | I413-P426 HydrophobicContact CD1-CB 4.03Å; I413-P426 HydrophobicContact CD1-CG 3.69Å; P426-Y656 CarbonylContact C-O 3.54Å; P426-Y656 WeakPolarHBondContact CA-O 3.4Å; P426-Q678 PolarHBondContact O-NE2 2.98Å |
| 427 | F | 96.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -82.3 | -20.1 | 171.7 | 63.3 | -102.3 | 0 | 0 | 0 | 111.9 | F357 L361 T409 V425 Y656 I658 V674 Q678 I683 | F357-F427 HydrophobicContact CD1-CE2 4.45Å; F357-F427 AromaticContact CE1-CD2 3.79Å; F357-F427 HydrophobicContact CE1-CD2 3.79Å; F357-F427 AromaticContact CE1-CE2 3.63Å; F357-F427 HydrophobicContact CE1-CE2 3.63Å; F357-F427 HydrophobicContact CZ-CD2 4.27Å; F357-F427 HydrophobicContact CZ-CE2 4.5Å; L361-F427 HydrophobicContact CD2-CB 3.94Å; L361-F427 HydrophobicContact CD2-CD1 4.05Å; L361-F427 HydrophobicContact CD2-CD2 3.72Å; L361-F427 HydrophobicContact CD2-CE1 4.49Å; L361-F427 HydrophobicContact CD2-CE2 4.22Å; L361-F427 HydrophobicContact CD2-CG 3.63Å; T409-F427 WeakPolarHBondContact O-CZ 3.45Å; V425-F427 PolarHBondContact O-N 3.42Å; F427-Y656 WeakPolarHBondContact CD1-O 3.26Å; F427-Y656 HydrophobicContact CE2-CD2 4.32Å; F427-Y656 HydrophobicContact CZ-CD2 4.44Å; F427-Y656 HydrophobicContact CZ-CG 4.31Å; F427-Y656 PolarHBondContact N-O 2.9Å; F427-I658 HydrophobicContact CD1-CG1 4.15Å; F427-I658 HydrophobicContact CE1-CG1 4.39Å; F427-V674 HydrophobicContact CB-CG1 3.7Å; F427-Q678 PolarHBondContact O-NE2 2.88Å; F427-I683 HydrophobicContact CB-CD1 4.33Å; F427-I683 WeakPolarHBondContact O-CG2 3.16Å |
| 428 | M | 95.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 5% | 0.054 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 131.9 | 177.4 | -175.8 | 176.7 | -69.4 | 0 | 0 | 110.2 | F338 F357 G655 Y656 K687 W691 | F338-M428 HydrophobicContact CE1-SD 4.41Å; F357-M428 HydrophobicContact CD1-CE 4.48Å; F357-M428 HydrophobicContact CE1-CE 3.96Å; F357-M428 HydrophobicContact CE2-CE 4.05Å; F357-M428 HydrophobicContact CZ-CE 3.72Å; M428-G655 CarbonylContact O-C 3.29Å; M428-G655 WeakPolarHBondContact O-CA 3.33Å; M428-Y656 HydrophobicContact CB-CD2 4.27Å; M428-Y656 PolarHBondContact O-N 3.44Å; M428-Y656 HydrophobicContact SD-CD2 4.12Å; M428-Y656 HydrophobicContact SD-CE2 4.32Å; M428-K687 HydrophobicContact CE-CD 4.25Å; M428-K687 HydrophobicContact CE-CG 4.33Å; M428-W691 HydrophobicContact CE-CH2 4.35Å |
| 429 | H | 93.6 | Very high | 92.1 | Very high | 127 Ų | 127 | 28.9 Ų | 28.9 | 59% | 0.588 | 15% | 0.145 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.4 | 172.5 | -64.1 | -77.6 | 0 | 0 | 0 | 110.4 | ||
| 430 | L | 93.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 178.3 | -177.2 | 61.5 | 138.8 | 0 | 0 | 0 | 110.8 | E630 K654 Y656 | L430-E630 HydrophobicContact CD1-CB 3.52Å; L430-E630 HydrophobicContact CD1-CG 3.63Å; L430-K654 HydrophobicContact CG-CB 4.26Å; L430-K654 PolarHBondContact N-O 3Å; L430-K654 CarbonylContact O-C 3.59Å; L430-K654 WeakPolarHBondContact O-CA 3.34Å; L430-K654 PolarHBondContact O-N 2.72Å; L430-Y656 HydrophobicContact CD1-CD1 4.38Å; L430-Y656 HydrophobicContact CD1-CE1 3.7Å; L430-Y656 HydrophobicContact CD1-CE2 4.23Å; L430-Y656 HydrophobicContact CD2-CD1 3.69Å; L430-Y656 HydrophobicContact CD2-CD2 3.66Å; L430-Y656 HydrophobicContact CD2-CE1 3.81Å; L430-Y656 HydrophobicContact CD2-CE2 3.79Å; L430-Y656 HydrophobicContact CD2-CG 3.6Å; L430-Y656 HydrophobicContact CG-CE1 4.45Å |
| 431 | G | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -153.1 | 170.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | E630 S631 D652 | G431-E630 CarbonylContact O-C 3.52Å; G431-S631 PolarHBondContact N-OG 2.74Å; G431-S631 WeakPolarHBondContact O-CB 3.45Å; G431-S631 PolarHBondContact O-N 2.8Å; G431-S631 PolarHBondContact O-OG 3.44Å; G431-D652 WeakPolarHBondContact CA-O 3.44Å; G431-D652 VanDerWaalsContact CA-OD1 3.31Å; G431-D652 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 432 | I | 94.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 133.9 | 168.4 | -60.3 | 165.9 | 0 | 0 | 0 | 107.3 | T582 F585 F586 L628 M629 L651 D652 K654 | I432-T582 HydrophobicContact CD1-CG2 3.96Å; I432-T582 HydrophobicContact CG1-CG2 4.02Å; I432-T582 HydrophobicContact CG2-CG2 3.96Å; I432-F585 HydrophobicContact CD1-CB 3.77Å; I432-F585 HydrophobicContact CD1-CD1 3.22Å; I432-F585 HydrophobicContact CD1-CD2 4.27Å; I432-F585 HydrophobicContact CD1-CE1 3.81Å; I432-F585 HydrophobicContact CD1-CG 3.48Å; I432-F585 VanDerWaalsContact CD1-CG 3.48Å; I432-F586 HydrophobicContact CD1-CE2 4.16Å; I432-F586 HydrophobicContact CG2-CE2 4.12Å; I432-F586 HydrophobicContact CG2-CZ 4.19Å; I432-L628 HydrophobicContact CG2-CB 4.35Å; I432-M629 WeakPolarHBondContact CA-O 3.37Å; I432-L651 HydrophobicContact CB-CB 4.3Å; I432-L651 HydrophobicContact CG2-CD1 4.01Å; I432-L651 PolarHBondContact O-N 2.88Å; I432-D652 WeakPolarHBondContact CD1-OD2 3.28Å; I432-D652 PolarHBondContact N-OD1 3.46Å; I432-K654 VanDerWaalsContact CD1-NZ 3.32Å |
| 433 | S | 93.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 168.5 | 176.2 | -169.3 | 0 | 0 | 0 | 0 | 110.5 | M629 Q646 | S433-M629 PolarHBondContact N-O 2.81Å; S433-M629 PolarHBondContact O-N 2.88Å; S433-M629 VanDerWaalsContact O-N 3.15Å; S433-Q646 WeakPolarHBondContact OG-CG 3.43Å; S433-Q646 PolarHBondContact OG-NE2 2.76Å |
| 434 | I | 94.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 107.4 | -171 | -52.1 | 172 | 0 | 0 | 0 | 108.2 | A563 L566 A626 L628 I647 L651 | I434-A563 HydrophobicContact CD1-CB 4.38Å; I434-L566 HydrophobicContact CD1-CD1 3.88Å; I434-L566 HydrophobicContact CG2-CD1 4.26Å; I434-A626 HydrophobicContact CG2-CB 3.76Å; I434-L628 HydrophobicContact CB-CD2 4.47Å; I434-L628 HydrophobicContact CG1-CD2 3.83Å; I434-L628 HydrophobicContact CG2-CD2 4.43Å; I434-I647 HydrophobicContact CB-CB 4.3Å; I434-I647 HydrophobicContact CG2-CB 4.43Å; I434-I647 PolarHBondContact O-N 2.82Å; I434-L651 HydrophobicContact CD1-CD2 4.5Å; I434-L651 HydrophobicContact CG1-CD1 4.23Å |
| 435 | L | 94.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.8 | 170.2 | -177.8 | 76.1 | 0 | 0 | 0 | 108.8 | I617 V620 Y627 M629 L634 V638 L644 | L435-I617 HydrophobicContact CD2-CB 4.44Å; L435-I617 HydrophobicContact CD2-CG1 3.69Å; L435-V620 HydrophobicContact CD2-CG2 4.29Å; L435-V620 HydrophobicContact CG-CG1 4.45Å; L435-V620 HydrophobicContact CG-CG2 4.45Å; L435-Y627 WeakPolarHBondContact CB-O 3.38Å; L435-Y627 HydrophobicContact CD2-CD1 4.37Å; L435-Y627 PolarHBondContact N-O 3.18Å; L435-Y627 PolarHBondContact O-N 3.25Å; L435-M629 HydrophobicContact CB-CE 4.34Å; L435-M629 HydrophobicContact CB-CG 4.46Å; L435-M629 HydrophobicContact CD2-CE 3.6Å; L435-M629 HydrophobicContact CD2-SD 4.43Å; L435-L634 HydrophobicContact CB-CD1 3.83Å; L435-L634 HydrophobicContact CB-CG 4.08Å; L435-L634 HydrophobicContact CD1-CD1 4.37Å; L435-L634 HydrophobicContact CD1-CD2 4.15Å; L435-L634 HydrophobicContact CD1-CG 3.78Å; L435-V638 HydrophobicContact CD1-CG2 3.93Å; L435-L644 HydrophobicContact CD1-CB 4.01Å; L435-L644 HydrophobicContact CD1-CD1 4.21Å; L435-L644 HydrophobicContact CD1-CG 4.49Å; L435-L644 HydrophobicContact CD2-CD1 4.33Å |
| 436 | Y | 93.2 | Very high | 81.9 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 164.3 | 178.9 | -161.1 | -116.9 | 0 | 0 | 0 | 112.1 | I560 I572 Y625 A626 T645 I647 | Y436-I560 HydrophobicContact CD1-CD1 4.26Å; Y436-I560 HydrophobicContact CD2-CD1 4.13Å; Y436-I560 HydrophobicContact CE1-CD1 4.34Å; Y436-I560 HydrophobicContact CE1-CG1 4.48Å; Y436-I560 HydrophobicContact CE2-CD1 4.25Å; Y436-I560 HydrophobicContact CG-CD1 4.12Å; Y436-I572 HydrophobicContact CE2-CG2 3.73Å; Y436-I572 WeakPolarHBondContact OH-CD1 3.47Å; Y436-Y625 WeakPolarHBondContact CD2-O 3.43Å; Y436-Y625 WeakPolarHBondContact CE2-O 3.36Å; Y436-A626 HydrophobicContact CD2-CB 3.79Å; Y436-A626 HydrophobicContact CE2-CB 4.31Å; Y436-T645 PolarHBondContact N-O 2.78Å; Y436-T645 PolarHBondContact O-N 2.95Å; Y436-I647 HydrophobicContact CD1-CD1 3.41Å; Y436-I647 VanDerWaalsContact CD1-CD1 3.41Å; Y436-I647 HydrophobicContact CE1-CD1 4.38Å; Y436-I647 HydrophobicContact CG-CD1 3.62Å |
| 437 | K | 90.4 | Very high | 80.8 | Confident | 60 Ų | 60 | 56 Ų | 56 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.4 | 174.2 | -170.9 | 174.4 | -173.5 | 165.8 | 0 | 109.3 | V620 K621 D643 | K437-V620 HydrophobicContact CB-CG1 4.29Å; K437-V620 VanDerWaalsContact N-CG1 3.27Å; K437-K621 WeakPolarHBondContact CD-O 3Å; K437-K621 WeakPolarHBondContact CE-O 3.19Å; K437-K621 PolarHBondContact NZ-O 3.08Å; K437-D643 CarbonylContact C-O 3.53Å; K437-D643 WeakPolarHBondContact CA-O 3.23Å |
| 438 | K | 84.2 | Confident | 79.7 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 123.1 | 173.8 | -163.1 | 172.2 | -176.2 | 177.9 | 0 | 109 | K440 C642 D643 T645 | K438-K440 PolarHBondContact O-N 3.23Å; K438-C642 VanDerWaalsContact CD-O 3.29Å; K438-C642 WeakPolarHBondContact CD-O 3.38Å; K438-D643 WeakPolarHBondContact CB-O 3.16Å; K438-D643 PolarHBondContact N-O 2.85Å; K438-T645 HydrophobicContact CB-CG2 4.31Å |
| 439 | P | 73.3 | Confident | 78.9 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 20% | 0.195 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 138.2 | 178.9 | -19.4 | 28.8 | 0 | 0 | 0 | 109.9 | F558 | P439-F558 HydrophobicContact CG-CD1 3.67Å; P439-F558 HydrophobicContact CG-CE1 3.94Å; P439-F558 HydrophobicContact CG-CG 4.28Å |
| 440 | K | 65.5 | Low | 78.3 | Confident | 188 Ų | 188 | 54.7 Ų | 54.7 | 82% | 0.817 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 137.9 | 167.1 | -69.1 | -171.1 | 177.7 | -173.1 | 0 | 108 | K438 S442 | K438-K440 PolarHBondContact O-N 3.23Å; K440-S442 PolarHBondContact O-N 3.02Å; K440-S442 VanDerWaalsContact O-N 3.08Å |
| 441 | R | 60.3 | Low | 77.5 | Confident | 173 Ų | 173 | 57.4 Ų | 57.4 | 65% | 0.653 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 117.8 | 172.8 | -65.7 | -179.7 | 178.8 | 167.1 | -3.4 | 108.4 | S443 E554 | R441-S443 PolarHBondContact O-N 3.32Å; R441-E554 IonicContact CZ-OE2 3.07Å; R441-E554 IonicContact NE-OE2 2.85Å; R441-E554 PolarHBondContact NE-OE2 2.83Å; R441-E554 IonicContact NH1-OE1 2.7Å; R441-E554 IonicContact NH1-OE2 2.79Å; R441-E554 IonicContact NH2-OE2 3.23Å; R441-E554 PolarHBondContact NH2-OE2 3.45Å |
| 442 | S | 55.4 | Low | 77.1 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 133.2 | 172.8 | 38.7 | 0 | 0 | 0 | 0 | 107.8 | K440 | K440-S442 PolarHBondContact O-N 3.02Å; K440-S442 VanDerWaalsContact O-N 3.08Å |
| 443 | S | 54 | Low | 76.7 | Confident | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 129.3 | 169.4 | 36.5 | 0 | 0 | 0 | 0 | 107.2 | R441 S445 | R441-S443 PolarHBondContact O-N 3.32Å; S443-S445 PolarHBondContact O-N 3.28Å |
| 444 | P | 61.1 | Low | 76.5 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 29% | 0.292 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 138.9 | 176.4 | 14.6 | -23 | 0 | 0 | 0 | 109.4 | N716 | P444-N716 WeakPolarHBondContact CG-OD1 3.32Š|
| 445 | S | 66.1 | Low | 76.2 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 148.2 | 175.7 | 59.3 | 0 | 0 | 0 | 0 | 110 | S443 L447 S448 | S443-S445 PolarHBondContact O-N 3.28Å; S445-L447 PolarHBondContact O-N 3Å; S445-S448 WeakPolarHBondContact O-CB 3.49Å; S445-S448 PolarHBondContact O-N 3.1Å; S445-S448 PolarHBondContact O-OG 3.42Å; S445-S448 VanDerWaalsContact O-OG 3.08Å; S445-S448 PolarHBondContact OG-N 2.97Å |
| 446 | L | 70.4 | Confident | 76.2 | Confident | 99 Ų | 99 | 73 Ų | 73 | 52% | 0.518 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31.2 | 178.5 | -70.4 | 171.3 | 0 | 0 | 0 | 112.8 | S448 F449 G719 | L446-S448 VanDerWaalsContact C-N 3.32Å; L446-S448 PolarHBondContact O-N 3.39Å; L446-F449 WeakPolarHBondContact O-CD1 3.47Å; L446-G719 WeakPolarHBondContact O-CA 3.16Å; L446-G719 PolarHBondContact O-N 3.32Å |
| 447 | L | 73 | Confident | 76.2 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 55% | 0.55 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 14.4 | 178.1 | -60.3 | 179.6 | 0 | 0 | 0 | 114.3 | S445 F449 L450 | S445-L447 PolarHBondContact O-N 3Å; L447-F449 HydrophobicContact CD2-CE1 4.24Å; L447-F449 HydrophobicContact CD2-CZ 4.49Å; L447-F449 PolarHBondContact O-N 3.48Å; L447-L450 HydrophobicContact CB-CD1 4.29Å; L447-L450 HydrophobicContact CD2-CD1 4.06Å; L447-L450 WeakPolarHBondContact O-CB 3.32Å; L447-L450 PolarHBondContact O-N 3.42Å |
| 448 | S | 72.7 | Confident | 76.3 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 10% | 0.098 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -58.9 | -29.8 | -178.3 | 59 | 0 | 0 | 0 | 0 | 113 | S445 L446 L450 A451 | S445-S448 WeakPolarHBondContact O-CB 3.49Å; S445-S448 PolarHBondContact O-N 3.1Å; S445-S448 PolarHBondContact O-OG 3.42Å; S445-S448 VanDerWaalsContact O-OG 3.08Å; S445-S448 PolarHBondContact OG-N 2.97Å; L446-S448 VanDerWaalsContact C-N 3.32Å; L446-S448 PolarHBondContact O-N 3.39Å; S448-L450 PolarHBondContact O-N 3.01Å; S448-A451 WeakPolarHBondContact O-CB 3.24Å; S448-A451 PolarHBondContact O-N 3.47Å; S448-A451 VanDerWaalsContact O-N 3.1Å |
| 449 | F | 77.6 | Confident | 76.8 | Confident | 37 Ų | 37 | 77.4 Ų | 77.4 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -63.1 | -22.7 | 175.4 | 72 | -89.1 | 0 | 0 | 0 | 113 | L446 L447 P452 Y543 V720 V723 | L446-F449 WeakPolarHBondContact O-CD1 3.47Å; L447-F449 HydrophobicContact CD2-CE1 4.24Å; L447-F449 HydrophobicContact CD2-CZ 4.49Å; L447-F449 PolarHBondContact O-N 3.48Å; F449-P452 WeakPolarHBondContact O-CD 3.47Å; F449-Y543 WeakPolarHBondContact O-CE2 3.43Å; F449-Y543 PolarHBondContact O-OH 3.26Å; F449-V720 HydrophobicContact CB-CG2 4.49Å; F449-V720 HydrophobicContact CD1-CG2 4.01Å; F449-V720 HydrophobicContact CD2-CG2 4.44Å; F449-V720 HydrophobicContact CE1-CG2 4.38Å; F449-V720 HydrophobicContact CG-CG2 4.06Å; F449-V723 HydrophobicContact CZ-CG2 4.05Å |
| 450 | L | 80.7 | Confident | 77.8 | Confident | 62 Ų | 62 | 84.4 Ų | 84.4 | 33% | 0.325 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -81.8 | -19.2 | 175.6 | -65.8 | 171.5 | 0 | 0 | 0 | 113.2 | L447 S448 L453 W458 | L447-L450 HydrophobicContact CB-CD1 4.29Å; L447-L450 HydrophobicContact CD2-CD1 4.06Å; L447-L450 WeakPolarHBondContact O-CB 3.32Å; L447-L450 PolarHBondContact O-N 3.42Å; S448-L450 PolarHBondContact O-N 3.01Å; L450-L453 PolarHBondContact O-N 2.96Å; L450-W458 HydrophobicContact CD2-CH2 4Å; L450-W458 HydrophobicContact CD2-CZ2 3.54Å; L450-W458 PolarHBondContact O-NE1 2.88Å; L450-W458 VanDerWaalsContact O-NE1 3.09Å |
| 451 | A | 78.6 | Confident | 79.2 | Confident | 58 Ų | 58 | 76.2 Ų | 76.2 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.6 | -175 | 0 | 0 | 0 | 0 | 0 | 116.6 | S448 L453 | S448-A451 WeakPolarHBondContact O-CB 3.24Å; S448-A451 PolarHBondContact O-N 3.47Å; S448-A451 VanDerWaalsContact O-N 3.1Å; A451-L453 PolarHBondContact O-N 3.48Å; A451-L453 VanDerWaalsContact O-N 3.17Å |
| 452 | P | 84.1 | Confident | 80.8 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.2 | 176.6 | -24.3 | 34 | 0 | 0 | 0 | 114.2 | F449 Y543 N546 L547 | F449-P452 WeakPolarHBondContact O-CD 3.47Å; P452-Y543 HydrophobicContact CB-CD2 4Å; P452-Y543 HydrophobicContact CB-CE2 4.14Å; P452-Y543 HydrophobicContact CG-CD2 4.32Å; P452-Y543 HydrophobicContact CG-CE2 3.98Å; P452-N546 WeakPolarHBondContact CA-ND2 3.34Å; P452-N546 HydrophobicContact CB-CB 4.08Å; P452-N546 PolarHBondContact O-ND2 2.91Å; P452-L547 HydrophobicContact CG-CB 3.93Å; P452-L547 HydrophobicContact CG-CD1 3.73Å; P452-L547 HydrophobicContact CG-CG 4.43Å |
| 453 | L | 87.4 | Confident | 82.7 | Confident | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.131 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -116.7 | 136.5 | 172.2 | -64.1 | 173.9 | 0 | 0 | 0 | 108.6 | L450 A451 V457 W458 M461 L539 Y543 | L450-L453 PolarHBondContact O-N 2.96Å; A451-L453 PolarHBondContact O-N 3.48Å; A451-L453 VanDerWaalsContact O-N 3.17Å; L453-V457 HydrophobicContact CB-CB 4.38Å; L453-V457 HydrophobicContact CB-CG1 4.37Å; L453-V457 HydrophobicContact CD1-CG1 4.45Å; L453-V457 HydrophobicContact CD2-CG1 4.01Å; L453-W458 HydrophobicContact CD1-CZ2 4.21Å; L453-W458 PolarHBondContact O-NE1 2.94Å; L453-M461 HydrophobicContact CD1-CE 3.67Å; L453-L539 HydrophobicContact CD1-CD1 4.24Å; L453-Y543 HydrophobicContact CD1-CD2 4.02Å; L453-Y543 HydrophobicContact CG-CD2 4.08Å |
| 454 | S | 89.4 | Confident | 84.6 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 43% | 0.427 | 38% | 0.382 | S | S | . | . | trans | -67.1 | 158.1 | 175.5 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | D456 V457 W458 | S454-D456 PolarHBondContact O-N 3.15Å; S454-V457 PolarHBondContact O-N 3.3Å; S454-V457 WeakPolarHBondContact OG-CG2 3.45Å; S454-V457 PolarHBondContact OG-N 3.04Å; S454-W458 VanDerWaalsContact O-CD1 3.26Å; S454-W458 PolarHBondContact O-N 3.14Å | ||
| 455 | L | 88.9 | Confident | 86.2 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 69% | 0.686 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.2 | -37.3 | 176.2 | -174.9 | 135.2 | 0 | 0 | 0 | 111.5 | V457 W458 M459 | L455-V457 PolarHBondContact O-N 3.4Å; L455-W458 WeakPolarHBondContact O-CB 3.42Å; L455-W458 PolarHBondContact O-N 2.99Å; L455-M459 HydrophobicContact CD2-CG 4.08Å; L455-M459 VanDerWaalsContact O-CG 3.31Å; L455-M459 WeakPolarHBondContact O-CG 3.21Å; L455-M459 PolarHBondContact O-N 3.04Å |
| 456 | D | 93.4 | Very high | 87.7 | Confident | 103 Ų | 103 | 67.4 Ų | 67.4 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -45 | 176.3 | -53.8 | -39.2 | 0 | 0 | 0 | 111.9 | S454 W458 M459 Y460 | S454-D456 PolarHBondContact O-N 3.15Å; D456-W458 VanDerWaalsContact C-N 3.33Å; D456-W458 PolarHBondContact O-N 3.27Å; D456-M459 PolarHBondContact O-N 2.96Å; D456-Y460 HydrophobicContact CB-CE2 4.26Å; D456-Y460 WeakPolarHBondContact O-CD2 3.46Å; D456-Y460 PolarHBondContact O-N 3.04Å |
| 457 | V | 93.5 | Very high | 88.9 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L453 S454 L455 Y460 M461 | L453-V457 HydrophobicContact CB-CB 4.38Å; L453-V457 HydrophobicContact CB-CG1 4.37Å; L453-V457 HydrophobicContact CD1-CG1 4.45Å; L453-V457 HydrophobicContact CD2-CG1 4.01Å; S454-V457 PolarHBondContact O-N 3.3Å; S454-V457 WeakPolarHBondContact OG-CG2 3.45Å; S454-V457 PolarHBondContact OG-N 3.04Å; L455-V457 PolarHBondContact O-N 3.4Å; V457-Y460 PolarHBondContact O-N 3.42Å; V457-M461 WeakPolarHBondContact O-CB 3.49Å; V457-M461 PolarHBondContact O-N 2.8Å |
| 458 | W | 93.6 | Very high | 90 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 29% | 0.288 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 171.8 | -78 | 110.5 | 0 | 0 | 0 | 112.1 | L450 L453 S454 L455 D456 M461 V462 Y543 | L450-W458 HydrophobicContact CD2-CH2 4Å; L450-W458 HydrophobicContact CD2-CZ2 3.54Å; L450-W458 PolarHBondContact O-NE1 2.88Å; L450-W458 VanDerWaalsContact O-NE1 3.09Å; L453-W458 HydrophobicContact CD1-CZ2 4.21Å; L453-W458 PolarHBondContact O-NE1 2.94Å; S454-W458 VanDerWaalsContact O-CD1 3.26Å; S454-W458 PolarHBondContact O-N 3.14Å; L455-W458 WeakPolarHBondContact O-CB 3.42Å; L455-W458 PolarHBondContact O-N 2.99Å; D456-W458 VanDerWaalsContact C-N 3.33Å; D456-W458 PolarHBondContact O-N 3.27Å; W458-M461 HydrophobicContact CD2-CE 4.12Å; W458-M461 HydrophobicContact CE3-CE 3.48Å; W458-M461 VanDerWaalsContact CE3-CE 3.48Å; W458-M461 HydrophobicContact CE3-SD 3.89Å; W458-M461 HydrophobicContact CH2-CE 4.14Å; W458-M461 HydrophobicContact CZ3-CE 3.5Å; W458-M461 VanDerWaalsContact CZ3-CE 3.5Å; W458-M461 HydrophobicContact CZ3-SD 3.71Å; W458-M461 WeakPolarHBondContact O-CB 3.45Å; W458-M461 PolarHBondContact O-N 2.98Å; W458-V462 WeakPolarHBondContact O-CG2 3.46Å; W458-V462 PolarHBondContact O-N 3.29Å; W458-Y543 HydrophobicContact CZ2-CE2 4.47Å |
| 459 | M | 94 | Very high | 91 | Very high | 120 Ų | 120 | 61 Ų | 61 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 176.5 | -66.2 | -54.9 | -66.1 | 0 | 0 | 111.8 | L455 D456 M461 V462 A463 | L455-M459 HydrophobicContact CD2-CG 4.08Å; L455-M459 VanDerWaalsContact O-CG 3.31Å; L455-M459 WeakPolarHBondContact O-CG 3.21Å; L455-M459 PolarHBondContact O-N 3.04Å; D456-M459 PolarHBondContact O-N 2.96Å; M459-M461 VanDerWaalsContact C-N 3.3Å; M459-M461 PolarHBondContact O-N 2.88Å; M459-V462 PolarHBondContact O-N 2.87Å; M459-A463 WeakPolarHBondContact O-CB 3.42Å; M459-A463 PolarHBondContact O-N 3.47Å |
| 460 | Y | 94.9 | Very high | 91.9 | Very high | 177 Ų | 177 | 62.9 Ų | 62.9 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.3 | -34.2 | 174.5 | -70.6 | -56.5 | 0 | 0 | 0 | 112.8 | D456 V457 A463 G464 | D456-Y460 HydrophobicContact CB-CE2 4.26Å; D456-Y460 WeakPolarHBondContact O-CD2 3.46Å; D456-Y460 PolarHBondContact O-N 3.04Å; V457-Y460 PolarHBondContact O-N 3.42Å; Y460-A463 PolarHBondContact O-N 3.15Å; Y460-G464 PolarHBondContact O-N 2.88Å |
| 461 | M | 93.2 | Very high | 92.5 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 174.9 | -171.6 | -167.8 | -46.9 | 0 | 0 | 111.4 | L453 V457 W458 M459 G464 Y465 L511 L539 | L453-M461 HydrophobicContact CD1-CE 3.67Å; V457-M461 WeakPolarHBondContact O-CB 3.49Å; V457-M461 PolarHBondContact O-N 2.8Å; W458-M461 HydrophobicContact CD2-CE 4.12Å; W458-M461 HydrophobicContact CE3-CE 3.48Å; W458-M461 VanDerWaalsContact CE3-CE 3.48Å; W458-M461 HydrophobicContact CE3-SD 3.89Å; W458-M461 HydrophobicContact CH2-CE 4.14Å; W458-M461 HydrophobicContact CZ3-CE 3.5Å; W458-M461 VanDerWaalsContact CZ3-CE 3.5Å; W458-M461 HydrophobicContact CZ3-SD 3.71Å; W458-M461 WeakPolarHBondContact O-CB 3.45Å; W458-M461 PolarHBondContact O-N 2.98Å; M459-M461 VanDerWaalsContact C-N 3.3Å; M459-M461 PolarHBondContact O-N 2.88Å; M461-G464 PolarHBondContact O-N 2.86Å; M461-Y465 WeakPolarHBondContact O-CB 3.49Å; M461-Y465 PolarHBondContact O-N 2.81Å; M461-L511 HydrophobicContact CG-CD2 4.4Å; M461-L511 HydrophobicContact SD-CD1 4.22Å; M461-L511 HydrophobicContact SD-CD2 4Å; M461-L539 HydrophobicContact CE-CD1 4.19Å; M461-L539 HydrophobicContact CE-CD2 3.75Å; M461-L539 HydrophobicContact CE-CG 4.3Å; M461-L539 HydrophobicContact CG-CD2 3.87Å; M461-L539 HydrophobicContact SD-CD2 3.89Å |
| 462 | V | 94.3 | Very high | 93.2 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | W458 M459 Y465 V466 | W458-V462 WeakPolarHBondContact O-CG2 3.46Å; W458-V462 PolarHBondContact O-N 3.29Å; M459-V462 PolarHBondContact O-N 2.87Å; V462-Y465 WeakPolarHBondContact O-CB 3.48Å; V462-Y465 PolarHBondContact O-N 3.19Å; V462-V466 WeakPolarHBondContact O-CG2 3.25Å; V462-V466 PolarHBondContact O-N 2.85Å |
| 463 | A | 95 | Very high | 93.7 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M459 Y460 V466 A467 | M459-A463 WeakPolarHBondContact O-CB 3.42Å; M459-A463 PolarHBondContact O-N 3.47Å; Y460-A463 PolarHBondContact O-N 3.15Å; A463-V466 PolarHBondContact O-N 3.44Å; A463-A467 VanDerWaalsContact O-CB 3.29Å; A463-A467 WeakPolarHBondContact O-CB 3.48Å; A463-A467 PolarHBondContact O-N 3.09Å |
| 464 | G | 95.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y460 M461 A467 V468 | Y460-G464 PolarHBondContact O-N 2.88Å; M461-G464 PolarHBondContact O-N 2.86Å; G464-A467 PolarHBondContact O-N 3.36Å; G464-V468 WeakPolarHBondContact O-CB 3.18Å; G464-V468 VanDerWaalsContact O-CG2 3.29Å; G464-V468 WeakPolarHBondContact O-CG2 2.91Å; G464-V468 PolarHBondContact O-N 2.76Å |
| 465 | Y | 94.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.3 | -52.1 | 174 | 162.3 | -111.6 | 0 | 0 | 0 | 111.9 | M461 V462 V468 S469 F504 T507 I508 | M461-Y465 WeakPolarHBondContact O-CB 3.49Å; M461-Y465 PolarHBondContact O-N 2.81Å; V462-Y465 WeakPolarHBondContact O-CB 3.48Å; V462-Y465 PolarHBondContact O-N 3.19Å; Y465-V468 PolarHBondContact O-N 3.45Å; Y465-S469 WeakPolarHBondContact O-CB 3.38Å; Y465-S469 PolarHBondContact O-N 3.44Å; Y465-S469 PolarHBondContact O-OG 2.93Å; Y465-S469 VanDerWaalsContact O-OG 3.09Å; Y465-F504 AromaticContact CE1-CD1 3.77Å; Y465-F504 HydrophobicContact CE1-CD1 3.77Å; Y465-F504 HydrophobicContact CE1-CE1 4.06Å; Y465-F504 HydrophobicContact CE2-CD1 4.12Å; Y465-F504 AromaticContact CZ-CD1 3.5Å; Y465-F504 VanDerWaalsContact CZ-CD1 3.5Å; Y465-F504 WeakPolarHBondContact OH-CD1 3.36Å; Y465-F504 PolarHBondContact OH-O 2.86Å; Y465-T507 WeakPolarHBondContact CD2-OG1 3.21Å; Y465-T507 WeakPolarHBondContact CE2-OG1 3.29Å; Y465-I508 HydrophobicContact CE2-CB 3.82Å; Y465-I508 HydrophobicContact CE2-CD1 4.39Å |
| 466 | V | 96.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 60.1 Ų | 60.1 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | V462 A463 V468 S469 L470 F504 | V462-V466 WeakPolarHBondContact O-CG2 3.25Å; V462-V466 PolarHBondContact O-N 2.85Å; A463-V466 PolarHBondContact O-N 3.44Å; V466-V468 PolarHBondContact O-N 2.66Å; V466-S469 PolarHBondContact O-N 3.21Å; V466-L470 HydrophobicContact CG1-CD1 3.95Å; V466-L470 HydrophobicContact CG1-CG 4.44Å; V466-L470 VanDerWaalsContact O-CG 3.32Å; V466-L470 WeakPolarHBondContact O-CG 3.39Å; V466-L470 PolarHBondContact O-N 3.33Å; V466-F504 HydrophobicContact CB-CE1 4.46Å; V466-F504 HydrophobicContact CG1-CE1 4.47Å; V466-F504 HydrophobicContact CG1-CZ 4.39Å; V466-F504 HydrophobicContact CG2-CE1 4.22Å |
| 467 | A | 96 | Very high | 93.9 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A463 G464 L470 V471 | A463-A467 VanDerWaalsContact O-CB 3.29Å; A463-A467 WeakPolarHBondContact O-CB 3.48Å; A463-A467 PolarHBondContact O-N 3.09Å; G464-A467 PolarHBondContact O-N 3.36Å; A467-L470 PolarHBondContact O-N 3.17Å; A467-V471 WeakPolarHBondContact O-CB 3.49Å; A467-V471 VanDerWaalsContact O-CG2 3.27Å; A467-V471 WeakPolarHBondContact O-CG2 3.25Å; A467-V471 PolarHBondContact O-N 3.31Å |
| 468 | V | 95.5 | Very high | 93.6 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.4 | -37.7 | -180 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | G464 Y465 V466 L470 V471 L472 T507 V528 W532 | G464-V468 WeakPolarHBondContact O-CB 3.18Å; G464-V468 VanDerWaalsContact O-CG2 3.29Å; G464-V468 WeakPolarHBondContact O-CG2 2.91Å; G464-V468 PolarHBondContact O-N 2.76Å; Y465-V468 PolarHBondContact O-N 3.45Å; V466-V468 PolarHBondContact O-N 2.66Å; V468-L470 VanDerWaalsContact C-N 3.34Å; V468-L470 PolarHBondContact O-N 2.7Å; V468-V471 PolarHBondContact O-N 3.35Å; V468-L472 WeakPolarHBondContact O-CB 3.41Å; V468-L472 PolarHBondContact O-N 2.92Å; V468-T507 HydrophobicContact CB-CG2 4.41Å; V468-T507 HydrophobicContact CG1-CG2 3.83Å; V468-V528 HydrophobicContact CG1-CG1 4.1Å; V468-W532 HydrophobicContact CB-CD2 4.28Å; V468-W532 HydrophobicContact CB-CE3 4.03Å; V468-W532 HydrophobicContact CB-CZ3 4.35Å; V468-W532 HydrophobicContact CG1-CB 4.02Å; V468-W532 HydrophobicContact CG1-CD2 3.91Å; V468-W532 HydrophobicContact CG1-CE3 4.08Å; V468-W532 HydrophobicContact CG1-CG 3.9Å; V468-W532 HydrophobicContact CG2-CD2 4.29Å; V468-W532 HydrophobicContact CG2-CE3 3.6Å; V468-W532 HydrophobicContact CG2-CZ3 3.91Å |
| 469 | S | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 173.1 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | Y465 V466 W473 S503 F504 T507 | Y465-S469 WeakPolarHBondContact O-CB 3.38Å; Y465-S469 PolarHBondContact O-N 3.44Å; Y465-S469 PolarHBondContact O-OG 2.93Å; Y465-S469 VanDerWaalsContact O-OG 3.09Å; V466-S469 PolarHBondContact O-N 3.21Å; S469-W473 WeakPolarHBondContact O-CB 3.29Å; S469-W473 PolarHBondContact O-N 2.86Å; S469-S503 WeakPolarHBondContact O-CB 3.45Å; S469-S503 PolarHBondContact OG-O 3.44Å; S469-F504 VanDerWaalsContact CB-CD1 3.5Å; S469-F504 WeakPolarHBondContact OG-CA 3.35Å; S469-F504 VanDerWaalsContact OG-CD1 3.29Å; S469-F504 WeakPolarHBondContact OG-CD1 2.92Å; S469-T507 PolarHBondContact OG-OG1 3.12Å |
| 470 | L | 95.2 | Very high | 92.8 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 41% | 0.408 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 177.7 | -69.5 | 172.8 | 0 | 0 | 0 | 112.1 | V466 A467 V468 W473 L474 L500 | V466-L470 HydrophobicContact CG1-CD1 3.95Å; V466-L470 HydrophobicContact CG1-CG 4.44Å; V466-L470 VanDerWaalsContact O-CG 3.32Å; V466-L470 WeakPolarHBondContact O-CG 3.39Å; V466-L470 PolarHBondContact O-N 3.33Å; A467-L470 PolarHBondContact O-N 3.17Å; V468-L470 VanDerWaalsContact C-N 3.34Å; V468-L470 PolarHBondContact O-N 2.7Å; L470-W473 PolarHBondContact O-N 3.48Å; L470-L474 WeakPolarHBondContact O-CB 3.12Å; L470-L474 PolarHBondContact O-N 3.22Å; L470-L500 HydrophobicContact CD2-CD1 3.78Å |
| 471 | V | 94.7 | Very high | 92.2 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.3 | 170 | 0 | 0 | 0 | 0 | 110.5 | A467 V468 W473 L474 V475 V528 | A467-V471 WeakPolarHBondContact O-CB 3.49Å; A467-V471 VanDerWaalsContact O-CG2 3.27Å; A467-V471 WeakPolarHBondContact O-CG2 3.25Å; A467-V471 PolarHBondContact O-N 3.31Å; V468-V471 PolarHBondContact O-N 3.35Å; V471-W473 PolarHBondContact O-N 3.39Å; V471-L474 PolarHBondContact O-N 3.23Å; V471-V475 HydrophobicContact CG1-CG2 4.07Å; V471-V475 WeakPolarHBondContact O-CB 3.17Å; V471-V475 VanDerWaalsContact O-CG2 3.24Å; V471-V475 WeakPolarHBondContact O-CG2 3.25Å; V471-V475 PolarHBondContact O-N 2.91Å; V471-V528 HydrophobicContact CG1-CG1 4.3Å; V471-V528 HydrophobicContact CG1-CG2 4.02Å |
| 472 | L | 92.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 178.5 | -171.6 | 65.9 | 0 | 0 | 0 | 111.1 | V468 A476 F498 F506 T507 T525 V528 | V468-L472 WeakPolarHBondContact O-CB 3.41Å; V468-L472 PolarHBondContact O-N 2.92Å; L472-A476 WeakPolarHBondContact O-CB 3.32Å; L472-A476 PolarHBondContact O-N 3.4Å; L472-F498 HydrophobicContact CD2-CD1 3.86Å; L472-F498 HydrophobicContact CD2-CE1 3.61Å; L472-F498 HydrophobicContact CG-CD1 4.06Å; L472-F498 HydrophobicContact CG-CE1 4.1Å; L472-F506 HydrophobicContact CD2-CB 4.36Å; L472-F506 HydrophobicContact CD2-CD1 3.45Å; L472-F506 VanDerWaalsContact CD2-CD1 3.45Å; L472-F506 HydrophobicContact CD2-CE1 4.02Å; L472-F506 HydrophobicContact CD2-CG 4.1Å; L472-T507 HydrophobicContact CD2-CG2 4.43Å; L472-T525 HydrophobicContact CD1-CG2 4.3Å; L472-V528 HydrophobicContact CB-CG1 4.31Å; L472-V528 HydrophobicContact CD1-CB 4.25Å; L472-V528 HydrophobicContact CD1-CG1 4.04Å |
| 473 | W | 93.2 | Very high | 91.4 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 173.7 | 171 | 72.1 | 0 | 0 | 0 | 112.1 | S469 L470 V471 A476 R477 L500 | S469-W473 WeakPolarHBondContact O-CB 3.29Å; S469-W473 PolarHBondContact O-N 2.86Å; L470-W473 PolarHBondContact O-N 3.48Å; V471-W473 PolarHBondContact O-N 3.39Å; W473-A476 PolarHBondContact O-N 2.85Å; W473-R477 WeakPolarHBondContact O-CB 3.46Å; W473-R477 PolarHBondContact O-N 3.01Å; W473-L500 HydrophobicContact CB-CD1 4.27Å; W473-L500 HydrophobicContact CD2-CD1 4.25Å; W473-L500 HydrophobicContact CG-CB 4.42Å; W473-L500 HydrophobicContact CG-CD1 4.08Å |
| 474 | L | 92.6 | Very high | 90.5 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 47% | 0.466 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.5 | -50.9 | 179.9 | -170.6 | 95.9 | 0 | 0 | 0 | 111.4 | L470 V471 A476 R477 M478 | L470-L474 WeakPolarHBondContact O-CB 3.12Å; L470-L474 PolarHBondContact O-N 3.22Å; V471-L474 PolarHBondContact O-N 3.23Å; L474-A476 VanDerWaalsContact C-N 3.34Å; L474-A476 PolarHBondContact O-N 3.48Å; L474-R477 PolarHBondContact O-N 3.43Å; L474-R477 VanDerWaalsContact O-N 3.13Å; L474-M478 HydrophobicContact CD2-SD 4.2Å; L474-M478 HydrophobicContact CG-SD 4.22Å; L474-M478 WeakPolarHBondContact O-CG 3.47Å; L474-M478 PolarHBondContact O-N 3.42Å |
| 475 | V | 92.8 | Very high | 89.5 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | -179.4 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | V471 R477 M478 S479 T525 V528 | V471-V475 HydrophobicContact CG1-CG2 4.07Å; V471-V475 WeakPolarHBondContact O-CB 3.17Å; V471-V475 VanDerWaalsContact O-CG2 3.24Å; V471-V475 WeakPolarHBondContact O-CG2 3.25Å; V471-V475 PolarHBondContact O-N 2.91Å; V475-R477 VanDerWaalsContact C-N 3.29Å; V475-R477 PolarHBondContact O-N 2.91Å; V475-M478 PolarHBondContact O-N 3.47Å; V475-S479 VanDerWaalsContact O-CB 3.24Å; V475-S479 WeakPolarHBondContact O-CB 3.13Å; V475-S479 PolarHBondContact O-N 2.96Å; V475-S479 PolarHBondContact O-OG 3.3Å; V475-T525 HydrophobicContact CB-CG2 4.45Å; V475-T525 HydrophobicContact CG1-CG2 3.92Å; V475-V528 HydrophobicContact CG2-CG2 4.44Å |
| 476 | A | 90.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L472 W473 L474 E482 N496 F498 T525 | L472-A476 WeakPolarHBondContact O-CB 3.32Å; L472-A476 PolarHBondContact O-N 3.4Å; W473-A476 PolarHBondContact O-N 2.85Å; L474-A476 VanDerWaalsContact C-N 3.34Å; L474-A476 PolarHBondContact O-N 3.48Å; A476-E482 HydrophobicContact CB-CG 4.08Å; A476-N496 PolarHBondContact O-ND2 3.24Å; A476-F498 HydrophobicContact CB-CB 3.56Å; A476-F498 HydrophobicContact CB-CD2 4.1Å; A476-F498 HydrophobicContact CB-CG 4.04Å; A476-T525 HydrophobicContact CB-CG2 3.84Å |
| 477 | R | 88.1 | Confident | 87.1 | Confident | 148 Ų | 148 | 61.5 Ų | 61.5 | 56% | 0.558 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74 | -33.2 | 178.7 | -161.8 | 67.9 | -177.8 | 162.3 | 1.6 | 113 | W473 L474 V475 | W473-R477 WeakPolarHBondContact O-CB 3.46Å; W473-R477 PolarHBondContact O-N 3.01Å; L474-R477 PolarHBondContact O-N 3.43Å; L474-R477 VanDerWaalsContact O-N 3.13Å; V475-R477 VanDerWaalsContact C-N 3.29Å; V475-R477 PolarHBondContact O-N 2.91Å |
| 478 | M | 88.4 | Confident | 85.8 | Confident | 144 Ų | 144 | 66 Ų | 66 | 71% | 0.709 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -79.1 | -25.5 | 177.3 | -68.3 | -179.2 | 72.9 | 0 | 0 | 113.1 | L474 V475 P480 | L474-M478 HydrophobicContact CD2-SD 4.2Å; L474-M478 HydrophobicContact CG-SD 4.22Å; L474-M478 WeakPolarHBondContact O-CG 3.47Å; L474-M478 PolarHBondContact O-N 3.42Å; V475-M478 PolarHBondContact O-N 3.47Å; M478-P480 VanDerWaalsContact O-CD 3.28Å; M478-P480 WeakPolarHBondContact O-CD 3.16Å |
| 479 | S | 88.3 | Confident | 84.8 | Confident | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | trans | -86.1 | 111.8 | -175.9 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | V475 S481 E482 A522 | V475-S479 VanDerWaalsContact O-CB 3.24Å; V475-S479 WeakPolarHBondContact O-CB 3.13Å; V475-S479 PolarHBondContact O-N 2.96Å; V475-S479 PolarHBondContact O-OG 3.3Å; S479-S481 PolarHBondContact O-N 2.84Å; S479-E482 PolarHBondContact O-N 3.36Å; S479-A522 VanDerWaalsContact CB-CB 3.48Å | ||
| 480 | P | 81.4 | Confident | 83.4 | Confident | 106 Ų | 106 | 72.4 Ų | 72.4 | 69% | 0.688 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -61 | -30.3 | -179.5 | -22.8 | 34.9 | 0 | 0 | 0 | 112.8 | M478 E482 F483 | M478-P480 VanDerWaalsContact O-CD 3.28Å; M478-P480 WeakPolarHBondContact O-CD 3.16Å; P480-E482 PolarHBondContact O-N 3.32Å; P480-E482 VanDerWaalsContact O-N 3.15Å; P480-F483 PolarHBondContact O-N 3.4Å |
| 481 | S | 83.1 | Confident | 81.7 | Confident | 83 Ų | 83 | 72.1 Ų | 72.1 | 58% | 0.58 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -66.2 | -11.3 | -179.3 | -49 | 0 | 0 | 0 | 0 | 114.9 | S479 | S479-S481 PolarHBondContact O-N 2.84Š|
| 482 | E | 85.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -88.9 | -14.2 | -179.9 | -151.9 | 64.3 | -120.3 | 0 | 0 | 112.7 | A476 S479 P480 F498 R521 A522 T525 | A476-E482 HydrophobicContact CB-CG 4.08Å; S479-E482 PolarHBondContact O-N 3.36Å; P480-E482 PolarHBondContact O-N 3.32Å; P480-E482 VanDerWaalsContact O-N 3.15Å; E482-F498 HydrophobicContact CG-CD2 3.94Å; E482-F498 HydrophobicContact CG-CE2 4.46Å; E482-R521 PolarHBondContact OE1-N 3.15Å; E482-R521 PolarHBondContact OE2-N 2.88Å; E482-R521 VanDerWaalsContact OE2-N 3.12Å; E482-A522 WeakPolarHBondContact OE2-CB 3.41Å; E482-A522 PolarHBondContact OE2-N 2.89Å; E482-T525 WeakPolarHBondContact OE2-CG2 3.43Å; E482-T525 PolarHBondContact OE2-OG1 2.78Å |
| 483 | F | 83.7 | Confident | 79.2 | Confident | 51 Ų | 51 | 78.4 Ų | 78.4 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.4 | 179.5 | -70.6 | -99.5 | 0 | 0 | 0 | 110.8 | P480 L494 N496 | P480-F483 PolarHBondContact O-N 3.4Å; F483-L494 HydrophobicContact CB-CB 4.14Å; F483-L494 HydrophobicContact CB-CD2 3.63Å; F483-L494 HydrophobicContact CD1-CB 4.41Å; F483-N496 HydrophobicContact CD1-CB 4.01Å; F483-N496 HydrophobicContact CE1-CB 3.96Å; F483-N496 HydrophobicContact CG-CB 4.48Å; F483-N496 HydrophobicContact CZ-CB 4.35Å |
| 484 | Q | 77.6 | Confident | 78.3 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 20% | 0.196 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 141.9 | -176.7 | -62.9 | -178.4 | 15.5 | 0 | 0 | 111.5 | L494 E495 R521 | Q484-L494 CarbonylContact O-C 3.51Å; Q484-L494 VanDerWaalsContact O-CA 3.3Å; Q484-L494 WeakPolarHBondContact O-CA 3.33Å; Q484-E495 PolarHBondContact N-O 3.34Å; Q484-E495 PolarHBondContact O-N 3.05Å; Q484-R521 VanDerWaalsContact CD-NH1 3.32Å |
| 485 | P | 74.1 | Confident | 77.6 | Confident | 54 Ų | 54 | 80 Ų | 80 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 138 | 165.2 | -17.4 | 30.8 | 0 | 0 | 0 | 110.2 | H487 | P485-H487 PolarHBondContact O-N 2.83Å; P485-H487 VanDerWaalsContact O-N 3.13Å |
| 486 | Q | 71 | Confident | 77.1 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -56.1 | -26.6 | 179.5 | -167.9 | 177.3 | 11.5 | 0 | 0 | 113.5 | Q493 | Q486-Q493 PolarHBondContact N-O 3.21Å; Q486-Q493 VanDerWaalsContact N-O 3.09Å |
| 487 | H | 68.1 | Low | 76.8 | Confident | 89 Ų | 89 | 83.1 Ų | 83.1 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -115.9 | 146.3 | -178.5 | -59.1 | -44.8 | 0 | 0 | 0 | 112.8 | P485 D489 G490 T491 | P485-H487 PolarHBondContact O-N 2.83Å; P485-H487 VanDerWaalsContact O-N 3.13Å; H487-D489 WeakPolarHBondContact CB-OD1 3.36Å; H487-D489 PolarHBondContact O-N 2.99Å; H487-D489 VanDerWaalsContact O-N 3.16Å; H487-G490 PolarHBondContact O-N 3.02Å; H487-G490 VanDerWaalsContact O-N 3.08Å; H487-T491 WeakPolarHBondContact CB-O 3.31Å; H487-T491 PolarHBondContact N-O 3.19Å; H487-T491 VanDerWaalsContact N-O 3.09Å |
| 488 | P | 69.1 | Low | 76.7 | Confident | 145 Ų | 145 | 76.3 Ų | 76.3 | 94% | 0.942 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.8 | -178.7 | -21 | 31.2 | 0 | 0 | 0 | 114.7 | G490 | P488-G490 PolarHBondContact O-N 3.16Š|
| 489 | D | 74 | Confident | 76.7 | Confident | 116 Ų | 116 | 72 Ų | 72 | 62% | 0.62 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 3.1 | 177.2 | 57.3 | 9.2 | 0 | 0 | 0 | 113.2 | H487 T491 | H487-D489 WeakPolarHBondContact CB-OD1 3.36Å; H487-D489 PolarHBondContact O-N 2.99Å; H487-D489 VanDerWaalsContact O-N 3.16Å; D489-T491 VanDerWaalsContact C-N 3.26Å; D489-T491 VanDerWaalsContact CG-OG1 3.25Å; D489-T491 PolarHBondContact O-N 2.95Å; D489-T491 WeakPolarHBondContact OD1-CB 3.37Å; D489-T491 PolarHBondContact OD1-N 3.32Å; D489-T491 PolarHBondContact OD1-OG1 3.39Å; D489-T491 PolarHBondContact OD2-OG1 2.99Å |
| 490 | G | 66.9 | Low | 76.7 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 81.3 | 4.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H487 P488 | H487-G490 PolarHBondContact O-N 3.02Å; H487-G490 VanDerWaalsContact O-N 3.08Å; P488-G490 PolarHBondContact O-N 3.16Å |
| 491 | T | 59.6 | Low | 77.1 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | trans | -93.7 | 158.2 | 178 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | H487 D489 | H487-T491 WeakPolarHBondContact CB-O 3.31Å; H487-T491 PolarHBondContact N-O 3.19Å; H487-T491 VanDerWaalsContact N-O 3.09Å; D489-T491 VanDerWaalsContact C-N 3.26Å; D489-T491 VanDerWaalsContact CG-OG1 3.25Å; D489-T491 PolarHBondContact O-N 2.95Å; D489-T491 WeakPolarHBondContact OD1-CB 3.37Å; D489-T491 PolarHBondContact OD1-N 3.32Å; D489-T491 PolarHBondContact OD1-OG1 3.39Å; D489-T491 PolarHBondContact OD2-OG1 2.99Å | ||
| 492 | G | 64.3 | Low | 77.5 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 101.8 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 493 | Q | 70.6 | Confident | 77.8 | Confident | 152 Ų | 152 | 70.9 Ų | 70.9 | 71% | 0.71 | 41% | 0.41 | S | S | * | . | trans | -70.6 | 145.2 | -179.2 | -67.3 | -174.7 | -5.8 | 0 | 0 | 110.7 | Q486 E495 | Q486-Q493 PolarHBondContact N-O 3.21Å; Q486-Q493 VanDerWaalsContact N-O 3.09Å; Q493-E495 PolarHBondContact O-N 3.37Å; Q493-E495 VanDerWaalsContact O-N 3.17Å | ||
| 494 | L | 73.8 | Confident | 78.3 | Confident | 120 Ų | 120 | 71 Ų | 71 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 103.6 | 173 | -81.6 | 116.5 | 0 | 0 | 0 | 109.7 | F483 Q484 | F483-L494 HydrophobicContact CB-CB 4.14Å; F483-L494 HydrophobicContact CB-CD2 3.63Å; F483-L494 HydrophobicContact CD1-CB 4.41Å; Q484-L494 CarbonylContact O-C 3.51Å; Q484-L494 VanDerWaalsContact O-CA 3.3Å; Q484-L494 WeakPolarHBondContact O-CA 3.33Å |
| 495 | E | 77.8 | Confident | 78.9 | Confident | 100 Ų | 100 | 76.6 Ų | 76.6 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.9 | 176.6 | -66.5 | -169.9 | 169.2 | 0 | 0 | 111.1 | Q484 Q493 | Q484-E495 PolarHBondContact N-O 3.34Å; Q484-E495 PolarHBondContact O-N 3.05Å; Q493-E495 PolarHBondContact O-N 3.37Å; Q493-E495 VanDerWaalsContact O-N 3.17Å |
| 496 | N | 83 | Confident | 79.8 | Confident | 27 Ų | 27 | 74.5 Ų | 74.5 | 14% | 0.144 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.3 | 174 | -171.1 | -36.4 | 0 | 0 | 0 | 108.3 | A476 F483 F498 | A476-N496 PolarHBondContact O-ND2 3.24Å; F483-N496 HydrophobicContact CD1-CB 4.01Å; F483-N496 HydrophobicContact CE1-CB 3.96Å; F483-N496 HydrophobicContact CG-CB 4.48Å; F483-N496 HydrophobicContact CZ-CB 4.35Å; N496-F498 PolarHBondContact O-N 3.46Å; N496-F498 PolarHBondContact OD1-N 3.06Å |
| 497 | Q | 83.9 | Confident | 80.8 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -66.2 | -25.7 | -177.5 | -63 | -176.7 | -14.1 | 0 | 0 | 112.4 | S499 N502 I518 | Q497-S499 VanDerWaalsContact C-N 3.32Å; Q497-S499 PolarHBondContact O-N 3.47Å; Q497-S499 VanDerWaalsContact O-N 3.08Å; Q497-N502 VanDerWaalsContact O-CB 3.25Å; Q497-N502 WeakPolarHBondContact O-CB 3.12Å; Q497-N502 PolarHBondContact O-ND2 2.9Å; Q497-I518 HydrophobicContact CB-CG2 3.95Å |
| 498 | F | 86.6 | Confident | 82 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | trans | -86.2 | 68.9 | 176.8 | -71 | -79.3 | 0 | 0 | 0 | 111.6 | L472 A476 E482 N496 F506 I518 P520 | L472-F498 HydrophobicContact CD2-CD1 3.86Å; L472-F498 HydrophobicContact CD2-CE1 3.61Å; L472-F498 HydrophobicContact CG-CD1 4.06Å; L472-F498 HydrophobicContact CG-CE1 4.1Å; A476-F498 HydrophobicContact CB-CB 3.56Å; A476-F498 HydrophobicContact CB-CD2 4.1Å; A476-F498 HydrophobicContact CB-CG 4.04Å; E482-F498 HydrophobicContact CG-CD2 3.94Å; E482-F498 HydrophobicContact CG-CE2 4.46Å; N496-F498 PolarHBondContact O-N 3.46Å; N496-F498 PolarHBondContact OD1-N 3.06Å; F498-F506 HydrophobicContact CE1-CB 4.1Å; F498-F506 HydrophobicContact CE1-CD1 4.4Å; F498-F506 HydrophobicContact CE1-CD2 4.06Å; F498-F506 AromaticContact CE1-CG 3.92Å; F498-F506 HydrophobicContact CE1-CG 3.92Å; F498-F506 HydrophobicContact CZ-CD2 4.35Å; F498-I518 HydrophobicContact CD1-CG2 4.19Å; F498-I518 HydrophobicContact CD2-CG2 4.28Å; F498-I518 HydrophobicContact CE1-CG2 3.75Å; F498-I518 HydrophobicContact CE2-CG2 3.85Å; F498-I518 HydrophobicContact CG-CG2 4.44Å; F498-I518 HydrophobicContact CZ-CG2 3.59Å; F498-P520 HydrophobicContact CE2-CB 4.18Å; F498-P520 HydrophobicContact CZ-CB 4.1Å | ||
| 499 | S | 87.8 | Confident | 83.1 | Confident | 55 Ų | 55 | 61.3 Ų | 61.3 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | trans | -62.5 | 159 | 158.5 | 75.7 | 0 | 0 | 0 | 0 | 110.1 | Q497 G501 N502 S503 | Q497-S499 VanDerWaalsContact C-N 3.32Å; Q497-S499 PolarHBondContact O-N 3.47Å; Q497-S499 VanDerWaalsContact O-N 3.08Å; S499-G501 PolarHBondContact O-N 3.25Å; S499-N502 CarbonylContact O-C 3.48Å; S499-N502 WeakPolarHBondContact O-CA 3.23Å; S499-N502 PolarHBondContact O-N 3.45Å; S499-N502 WeakPolarHBondContact OG-CB 3.34Å; S499-N502 VanDerWaalsContact OG-CG 3.23Å; S499-N502 PolarHBondContact OG-N 3.5Å; S499-N502 PolarHBondContact OG-ND2 3.28Å; S499-S503 PolarHBondContact O-N 2.57Å; S499-S503 PolarHBondContact O-OG 2.99Å | ||
| 500 | L | 88.7 | Confident | 83.8 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 40% | 0.398 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -52.9 | -43.6 | 179.2 | -178.6 | 65.5 | 0 | 0 | 0 | 111.7 | L470 W473 S503 F504 | L470-L500 HydrophobicContact CD2-CD1 3.78Å; W473-L500 HydrophobicContact CB-CD1 4.27Å; W473-L500 HydrophobicContact CD2-CD1 4.25Å; W473-L500 HydrophobicContact CG-CB 4.42Å; W473-L500 HydrophobicContact CG-CD1 4.08Å; L500-S503 PolarHBondContact O-N 3.23Å; L500-F504 HydrophobicContact CD1-CD2 4.28Å; L500-F504 HydrophobicContact CD1-CE2 3.81Å; L500-F504 HydrophobicContact CG-CD2 4.18Å; L500-F504 HydrophobicContact CG-CE2 3.95Å; L500-F504 WeakPolarHBondContact O-CD2 3.05Å; L500-F504 PolarHBondContact O-N 3.2Å; L500-F504 VanDerWaalsContact O-N 3.14Å |
| 501 | G | 90.4 | Very high | 85 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S499 S503 F504 W505 | S499-G501 PolarHBondContact O-N 3.25Å; G501-S503 VanDerWaalsContact C-N 3.34Å; G501-S503 PolarHBondContact O-N 2.79Å; G501-F504 WeakPolarHBondContact O-CB 3.46Å; G501-F504 PolarHBondContact O-N 3.05Å; G501-W505 PolarHBondContact O-N 3.39Å |
| 502 | N | 90.4 | Very high | 86.5 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 176.9 | -74.9 | -4.9 | 0 | 0 | 0 | 112.6 | Q497 S499 F504 W505 F506 I518 | Q497-N502 VanDerWaalsContact O-CB 3.25Å; Q497-N502 WeakPolarHBondContact O-CB 3.12Å; Q497-N502 PolarHBondContact O-ND2 2.9Å; S499-N502 CarbonylContact O-C 3.48Å; S499-N502 WeakPolarHBondContact O-CA 3.23Å; S499-N502 PolarHBondContact O-N 3.45Å; S499-N502 WeakPolarHBondContact OG-CB 3.34Å; S499-N502 VanDerWaalsContact OG-CG 3.23Å; S499-N502 PolarHBondContact OG-N 3.5Å; S499-N502 PolarHBondContact OG-ND2 3.28Å; N502-F504 VanDerWaalsContact C-N 3.34Å; N502-W505 PolarHBondContact O-N 2.78Å; N502-F506 WeakPolarHBondContact O-CB 3.38Å; N502-F506 PolarHBondContact O-N 2.73Å; N502-I518 HydrophobicContact CB-CD1 3.5Å |
| 503 | S | 92.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 171.5 | -59.6 | 0 | 0 | 0 | 0 | 112 | S469 S499 L500 G501 T507 | S469-S503 WeakPolarHBondContact O-CB 3.45Å; S469-S503 PolarHBondContact OG-O 3.44Å; S499-S503 PolarHBondContact O-N 2.57Å; S499-S503 PolarHBondContact O-OG 2.99Å; L500-S503 PolarHBondContact O-N 3.23Å; G501-S503 VanDerWaalsContact C-N 3.34Å; G501-S503 PolarHBondContact O-N 2.79Å; S503-T507 WeakPolarHBondContact O-CG2 3.12Å; S503-T507 PolarHBondContact O-N 2.78Å; S503-T507 PolarHBondContact O-OG1 3.48Å; S503-T507 VanDerWaalsContact O-OG1 3.05Å |
| 504 | F | 93.5 | Very high | 88.4 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 23% | 0.232 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.1 | -36 | 170.8 | -81.2 | -68.9 | 0 | 0 | 0 | 112.8 | Y465 V466 S469 L500 G501 N502 T507 I508 | Y465-F504 AromaticContact CE1-CD1 3.77Å; Y465-F504 HydrophobicContact CE1-CD1 3.77Å; Y465-F504 HydrophobicContact CE1-CE1 4.06Å; Y465-F504 HydrophobicContact CE2-CD1 4.12Å; Y465-F504 AromaticContact CZ-CD1 3.5Å; Y465-F504 VanDerWaalsContact CZ-CD1 3.5Å; Y465-F504 WeakPolarHBondContact OH-CD1 3.36Å; Y465-F504 PolarHBondContact OH-O 2.86Å; V466-F504 HydrophobicContact CB-CE1 4.46Å; V466-F504 HydrophobicContact CG1-CE1 4.47Å; V466-F504 HydrophobicContact CG1-CZ 4.39Å; V466-F504 HydrophobicContact CG2-CE1 4.22Å; S469-F504 VanDerWaalsContact CB-CD1 3.5Å; S469-F504 WeakPolarHBondContact OG-CA 3.35Å; S469-F504 VanDerWaalsContact OG-CD1 3.29Å; S469-F504 WeakPolarHBondContact OG-CD1 2.92Å; L500-F504 HydrophobicContact CD1-CD2 4.28Å; L500-F504 HydrophobicContact CD1-CE2 3.81Å; L500-F504 HydrophobicContact CG-CD2 4.18Å; L500-F504 HydrophobicContact CG-CE2 3.95Å; L500-F504 WeakPolarHBondContact O-CD2 3.05Å; L500-F504 PolarHBondContact O-N 3.2Å; L500-F504 VanDerWaalsContact O-N 3.14Å; G501-F504 WeakPolarHBondContact O-CB 3.46Å; G501-F504 PolarHBondContact O-N 3.05Å; N502-F504 VanDerWaalsContact C-N 3.34Å; F504-T507 PolarHBondContact O-OG1 2.87Å; F504-I508 VanDerWaalsContact O-CG2 3.27Å; F504-I508 WeakPolarHBondContact O-CG2 3.42Å; F504-I508 PolarHBondContact O-N 3.06Å; F504-I508 VanDerWaalsContact O-N 3.15Å |
| 505 | W | 91.7 | Very high | 88.8 | Confident | 161 Ų | 161 | 59.4 Ų | 59.4 | 61% | 0.61 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.6 | -42.4 | 176.6 | -171.7 | -109.3 | 0 | 0 | 0 | 112.3 | G501 N502 I508 G509 | G501-W505 PolarHBondContact O-N 3.39Å; N502-W505 PolarHBondContact O-N 2.78Å; W505-I508 HydrophobicContact CE3-CG2 4.39Å; W505-I508 VanDerWaalsContact O-CG2 3.29Å; W505-I508 WeakPolarHBondContact O-CG2 3.41Å; W505-G509 PolarHBondContact O-N 2.8Å |
| 506 | F | 92.5 | Very high | 89.1 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.7 | 180 | -89.9 | 0 | 0 | 0 | 112.5 | L472 F498 N502 G509 S510 C516 I518 P520 A529 W533 | L472-F506 HydrophobicContact CD2-CB 4.36Å; L472-F506 HydrophobicContact CD2-CD1 3.45Å; L472-F506 VanDerWaalsContact CD2-CD1 3.45Å; L472-F506 HydrophobicContact CD2-CE1 4.02Å; L472-F506 HydrophobicContact CD2-CG 4.1Å; F498-F506 HydrophobicContact CE1-CB 4.1Å; F498-F506 HydrophobicContact CE1-CD1 4.4Å; F498-F506 HydrophobicContact CE1-CD2 4.06Å; F498-F506 AromaticContact CE1-CG 3.92Å; F498-F506 HydrophobicContact CE1-CG 3.92Å; F498-F506 HydrophobicContact CZ-CD2 4.35Å; N502-F506 WeakPolarHBondContact O-CB 3.38Å; N502-F506 PolarHBondContact O-N 2.73Å; F506-G509 PolarHBondContact O-N 3.33Å; F506-S510 PolarHBondContact O-N 2.86Å; F506-S510 PolarHBondContact O-OG 2.91Å; F506-C516 HydrophobicContact CD2-CB 4.09Å; F506-I518 WeakPolarHBondContact CD2-O 3.2Å; F506-I518 WeakPolarHBondContact CE2-O 3.43Å; F506-P520 HydrophobicContact CZ-CG 4.39Å; F506-A529 HydrophobicContact CE1-CB 3.84Å; F506-A529 HydrophobicContact CZ-CB 3.81Å; F506-W533 HydrophobicContact CE2-CZ2 4.38Å; F506-W533 AromaticContact CZ-CZ2 3.8Å; F506-W533 HydrophobicContact CZ-CZ2 3.8Å |
| 507 | T | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.8 | -33.5 | -178.3 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | Y465 V468 S469 L472 S503 F504 S510 L511 W532 | Y465-T507 WeakPolarHBondContact CD2-OG1 3.21Å; Y465-T507 WeakPolarHBondContact CE2-OG1 3.29Å; V468-T507 HydrophobicContact CB-CG2 4.41Å; V468-T507 HydrophobicContact CG1-CG2 3.83Å; S469-T507 PolarHBondContact OG-OG1 3.12Å; L472-T507 HydrophobicContact CD2-CG2 4.43Å; S503-T507 WeakPolarHBondContact O-CG2 3.12Å; S503-T507 PolarHBondContact O-N 2.78Å; S503-T507 PolarHBondContact O-OG1 3.48Å; S503-T507 VanDerWaalsContact O-OG1 3.05Å; F504-T507 PolarHBondContact O-OG1 2.87Å; T507-S510 WeakPolarHBondContact CA-OG 3.39Å; T507-S510 PolarHBondContact O-OG 2.88Å; T507-L511 PolarHBondContact O-N 3.39Å; T507-W532 PolarHBondContact O-NE1 2.73Å |
| 508 | I | 92.1 | Very high | 89.1 | Confident | 50 Ų | 50 | 59 Ų | 59 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.2 | -38.5 | 174.2 | -165.9 | 61.9 | 0 | 0 | 0 | 111.2 | Y465 F504 W505 S510 L511 M512 | Y465-I508 HydrophobicContact CE2-CB 3.82Å; Y465-I508 HydrophobicContact CE2-CD1 4.39Å; F504-I508 VanDerWaalsContact O-CG2 3.27Å; F504-I508 WeakPolarHBondContact O-CG2 3.42Å; F504-I508 PolarHBondContact O-N 3.06Å; F504-I508 VanDerWaalsContact O-N 3.15Å; W505-I508 HydrophobicContact CE3-CG2 4.39Å; W505-I508 VanDerWaalsContact O-CG2 3.29Å; W505-I508 WeakPolarHBondContact O-CG2 3.41Å; I508-S510 VanDerWaalsContact C-N 3.32Å; I508-S510 PolarHBondContact O-N 3.1Å; I508-L511 HydrophobicContact CD1-CD2 4.29Å; I508-L511 PolarHBondContact O-N 3.38Å; I508-M512 HydrophobicContact CD1-CG 4.5Å; I508-M512 HydrophobicContact CG1-CG 4.4Å; I508-M512 HydrophobicContact CG1-SD 4.23Å; I508-M512 WeakPolarHBondContact O-CG 3.39Å; I508-M512 PolarHBondContact O-N 2.95Å |
| 509 | G | 91.5 | Very high | 89 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.1 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W505 F506 M512 Q513 Q514 | W505-G509 PolarHBondContact O-N 2.8Å; F506-G509 PolarHBondContact O-N 3.33Å; G509-M512 CarbonylContact O-C 3.56Å; G509-M512 PolarHBondContact O-N 2.92Å; G509-Q513 PolarHBondContact O-N 2.98Å; G509-Q513 VanDerWaalsContact O-N 3.15Å; G509-Q514 CarbonylContact C-O 3.57Å; G509-Q514 PolarHBondContact O-N 3.19Å |
| 510 | S | 90.6 | Very high | 89.1 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.1 | 40.6 | 0 | 0 | 0 | 0 | 113.9 | F506 T507 I508 M512 Q513 W532 | F506-S510 PolarHBondContact O-N 2.86Å; F506-S510 PolarHBondContact O-OG 2.91Å; T507-S510 WeakPolarHBondContact CA-OG 3.39Å; T507-S510 PolarHBondContact O-OG 2.88Å; I508-S510 VanDerWaalsContact C-N 3.32Å; I508-S510 PolarHBondContact O-N 3.1Å; S510-M512 VanDerWaalsContact C-N 3.26Å; S510-M512 PolarHBondContact O-N 3.1Å; S510-Q513 PolarHBondContact O-N 2.97Å; S510-Q513 VanDerWaalsContact O-N 3.12Å; S510-W532 PolarHBondContact OG-NE1 2.96Å |
| 511 | L | 91.4 | Very high | 88.9 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.1 | -32.5 | 174.9 | -175.2 | 65.4 | 0 | 0 | 0 | 112.2 | M461 T507 I508 Q513 T536 L539 I540 | M461-L511 HydrophobicContact CG-CD2 4.4Å; M461-L511 HydrophobicContact SD-CD1 4.22Å; M461-L511 HydrophobicContact SD-CD2 4Å; T507-L511 PolarHBondContact O-N 3.39Å; I508-L511 HydrophobicContact CD1-CD2 4.29Å; I508-L511 PolarHBondContact O-N 3.38Å; L511-Q513 VanDerWaalsContact C-N 3.29Å; L511-T536 HydrophobicContact CB-CG2 4.33Å; L511-T536 HydrophobicContact CD1-CG2 3.99Å; L511-L539 HydrophobicContact CD1-CD2 3.9Å; L511-I540 VanDerWaalsContact O-CD1 3.22Å; L511-I540 WeakPolarHBondContact O-CD1 3.45Å |
| 512 | M | 90.4 | Very high | 88.8 | Confident | 127 Ų | 127 | 60.5 Ų | 60.5 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.9 | 175.9 | -64.2 | -170.2 | 75.4 | 0 | 0 | 113.8 | I508 G509 S510 Q514 | I508-M512 HydrophobicContact CD1-CG 4.5Å; I508-M512 HydrophobicContact CG1-CG 4.4Å; I508-M512 HydrophobicContact CG1-SD 4.23Å; I508-M512 WeakPolarHBondContact O-CG 3.39Å; I508-M512 PolarHBondContact O-N 2.95Å; G509-M512 CarbonylContact O-C 3.56Å; G509-M512 PolarHBondContact O-N 2.92Å; S510-M512 VanDerWaalsContact C-N 3.26Å; S510-M512 PolarHBondContact O-N 3.1Å; M512-Q514 HydrophobicContact CB-CG 4.17Å; M512-Q514 PolarHBondContact O-N 3.26Å |
| 513 | Q | 87.3 | Confident | 88.8 | Confident | 135 Ų | 135 | 63.7 Ų | 63.7 | 63% | 0.631 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 31.3 | -173.9 | -60.6 | -179.2 | -16.6 | 0 | 0 | 113.7 | G509 S510 L511 I540 | G509-Q513 PolarHBondContact O-N 2.98Å; G509-Q513 VanDerWaalsContact O-N 3.15Å; S510-Q513 PolarHBondContact O-N 2.97Å; S510-Q513 VanDerWaalsContact O-N 3.12Å; L511-Q513 VanDerWaalsContact C-N 3.29Å; Q513-I540 HydrophobicContact CG-CD1 3.58Å |
| 514 | Q | 87.2 | Confident | 88.8 | Confident | 133 Ų | 133 | 64.9 Ų | 64.9 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | trans | -100.4 | 144.9 | 175.1 | -64.1 | -57.7 | -35.7 | 0 | 0 | 110.8 | G509 M512 | G509-Q514 CarbonylContact C-O 3.57Å; G509-Q514 PolarHBondContact O-N 3.19Å; M512-Q514 HydrophobicContact CB-CG 4.17Å; M512-Q514 PolarHBondContact O-N 3.26Å | ||
| 515 | G | 83.4 | Confident | 88.7 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 79% | 0.794 | 34% | 0.338 | S | S | * | . | trans | -67.2 | 149.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 516 | C | 84.3 | Confident | 88.8 | Confident | 38 Ų | 38 | 61 Ų | 61 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | trans | -120.6 | 141.1 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | F506 I518 | F506-C516 HydrophobicContact CD2-CB 4.09Å; C516-I518 PolarHBondContact O-N 2.96Å | ||
| 517 | D | 82.9 | Confident | 88.8 | Confident | 141 Ų | 141 | 66.2 Ų | 66.2 | 75% | 0.754 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -71.4 | -17.4 | 175.2 | 58.3 | -31.2 | 0 | 0 | 0 | 112.7 | ||
| 518 | I | 83.3 | Confident | 88.9 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | trans | -88 | 119.2 | 178.4 | -47.2 | 179.7 | 0 | 0 | 0 | 110.4 | Q497 F498 N502 F506 C516 | Q497-I518 HydrophobicContact CB-CG2 3.95Å; F498-I518 HydrophobicContact CD1-CG2 4.19Å; F498-I518 HydrophobicContact CD2-CG2 4.28Å; F498-I518 HydrophobicContact CE1-CG2 3.75Å; F498-I518 HydrophobicContact CE2-CG2 3.85Å; F498-I518 HydrophobicContact CG-CG2 4.44Å; F498-I518 HydrophobicContact CZ-CG2 3.59Å; N502-I518 HydrophobicContact CB-CD1 3.5Å; F506-I518 WeakPolarHBondContact CD2-O 3.2Å; F506-I518 WeakPolarHBondContact CE2-O 3.43Å; C516-I518 PolarHBondContact O-N 2.96Å | ||
| 519 | A | 85.3 | Confident | 88.9 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 49% | 0.488 | 36% | 0.355 | S | S | . | . | trans | -116.6 | 125.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 520 | P | 88.8 | Confident | 89 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 10% | 0.104 | 37% | 0.371 | C | S | . | . | trans | -69.1 | 133.2 | 178.7 | 27.6 | -33.4 | 0 | 0 | 0 | 112.7 | F498 F506 T525 R526 A529 | F498-P520 HydrophobicContact CE2-CB 4.18Å; F498-P520 HydrophobicContact CZ-CB 4.1Å; F506-P520 HydrophobicContact CZ-CG 4.39Å; P520-T525 WeakPolarHBondContact CB-OG1 3.31Å; P520-R526 HydrophobicContact CB-CG 4.1Å; P520-R526 HydrophobicContact CG-CG 4.18Å; P520-R526 WeakPolarHBondContact O-CG 3.43Å; P520-R526 PolarHBondContact O-NE 3.36Å; P520-A529 HydrophobicContact CG-CB 3.98Å | ||
| 521 | R | 84.1 | Confident | 89.2 | Confident | 134 Ų | 134 | 72 Ų | 72 | 51% | 0.506 | 40% | 0.396 | S | S | . | . | trans | -107 | -42.4 | -178.9 | -67.4 | 179.2 | 69.4 | 151.9 | 2 | 113.5 | E482 Q484 R526 | E482-R521 PolarHBondContact OE1-N 3.15Å; E482-R521 PolarHBondContact OE2-N 2.88Å; E482-R521 VanDerWaalsContact OE2-N 3.12Å; Q484-R521 VanDerWaalsContact CD-NH1 3.32Å; R521-R526 PolarHBondContact O-NE 3.31Å | ||
| 522 | A | 89.3 | Confident | 89.3 | Confident | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.033 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -64.7 | 148.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S479 E482 G524 T525 R526 | S479-A522 VanDerWaalsContact CB-CB 3.48Å; E482-A522 WeakPolarHBondContact OE2-CB 3.41Å; E482-A522 PolarHBondContact OE2-N 2.89Å; A522-G524 PolarHBondContact O-N 2.93Å; A522-T525 HydrophobicContact CB-CG2 4.35Å; A522-T525 PolarHBondContact N-OG1 3.28Å; A522-T525 PolarHBondContact O-N 3.46Å; A522-T525 PolarHBondContact O-OG1 3.06Å; A522-R526 WeakPolarHBondContact O-CB 3.38Å; A522-R526 WeakPolarHBondContact O-CG 3.44Å; A522-R526 PolarHBondContact O-N 3.27Å |
| 523 | I | 90.1 | Very high | 89.5 | Confident | 130 Ų | 130 | 70.7 Ų | 70.7 | 67% | 0.667 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.4 | -37.5 | 177.8 | -169.1 | 61.8 | 0 | 0 | 0 | 111.2 | M527 | I523-M527 VanDerWaalsContact O-CG 3.31Å; I523-M527 WeakPolarHBondContact O-CG 3.37Å; I523-M527 PolarHBondContact O-N 3.07Å |
| 524 | G | 92.3 | Very high | 89.8 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A522 R526 M527 V528 | A522-G524 PolarHBondContact O-N 2.93Å; G524-R526 VanDerWaalsContact C-N 3.34Å; G524-R526 PolarHBondContact O-N 3.24Å; G524-M527 PolarHBondContact O-N 3.13Å; G524-V528 WeakPolarHBondContact O-CG2 3.4Å; G524-V528 PolarHBondContact O-N 2.84Å |
| 525 | T | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 179.7 | 53 | 0 | 0 | 0 | 0 | 111.5 | L472 V475 A476 E482 P520 A522 V528 A529 | L472-T525 HydrophobicContact CD1-CG2 4.3Å; V475-T525 HydrophobicContact CB-CG2 4.45Å; V475-T525 HydrophobicContact CG1-CG2 3.92Å; A476-T525 HydrophobicContact CB-CG2 3.84Å; E482-T525 WeakPolarHBondContact OE2-CG2 3.43Å; E482-T525 PolarHBondContact OE2-OG1 2.78Å; P520-T525 WeakPolarHBondContact CB-OG1 3.31Å; A522-T525 HydrophobicContact CB-CG2 4.35Å; A522-T525 PolarHBondContact N-OG1 3.28Å; A522-T525 PolarHBondContact O-N 3.46Å; A522-T525 PolarHBondContact O-OG1 3.06Å; T525-V528 PolarHBondContact O-N 3.06Å; T525-A529 WeakPolarHBondContact O-CB 3.18Å; T525-A529 PolarHBondContact O-N 3.33Å |
| 526 | R | 93.1 | Very high | 90.7 | Very high | 133 Ų | 133 | 65.4 Ų | 65.4 | 50% | 0.502 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174 | -73.2 | 177.9 | 176.6 | -179.6 | 1.3 | 113.1 | P520 R521 A522 G524 A529 S530 | P520-R526 HydrophobicContact CB-CG 4.1Å; P520-R526 HydrophobicContact CG-CG 4.18Å; P520-R526 WeakPolarHBondContact O-CG 3.43Å; P520-R526 PolarHBondContact O-NE 3.36Å; R521-R526 PolarHBondContact O-NE 3.31Å; A522-R526 WeakPolarHBondContact O-CB 3.38Å; A522-R526 WeakPolarHBondContact O-CG 3.44Å; A522-R526 PolarHBondContact O-N 3.27Å; G524-R526 VanDerWaalsContact C-N 3.34Å; G524-R526 PolarHBondContact O-N 3.24Å; R526-A529 PolarHBondContact O-N 3.21Å; R526-S530 VanDerWaalsContact O-CB 3.26Å; R526-S530 WeakPolarHBondContact O-CB 3.19Å; R526-S530 PolarHBondContact O-N 3.22Å; R526-S530 PolarHBondContact O-OG 3.1Å |
| 527 | M | 93.4 | Very high | 91.1 | Very high | 118 Ų | 118 | 68.4 Ų | 68.4 | 58% | 0.581 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.4 | -47.7 | 175.2 | -76.6 | -66 | -169.3 | 0 | 0 | 111.1 | I523 G524 A529 S530 V531 | I523-M527 VanDerWaalsContact O-CG 3.31Å; I523-M527 WeakPolarHBondContact O-CG 3.37Å; I523-M527 PolarHBondContact O-N 3.07Å; G524-M527 PolarHBondContact O-N 3.13Å; M527-A529 PolarHBondContact O-N 3.45Å; M527-S530 PolarHBondContact O-N 3.02Å; M527-V531 WeakPolarHBondContact O-CG2 3.3Å; M527-V531 PolarHBondContact O-N 3.48Å |
| 528 | V | 94.2 | Very high | 91.6 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | V468 V471 L472 V475 G524 T525 S530 V531 W532 | V468-V528 HydrophobicContact CG1-CG1 4.1Å; V471-V528 HydrophobicContact CG1-CG1 4.3Å; V471-V528 HydrophobicContact CG1-CG2 4.02Å; L472-V528 HydrophobicContact CB-CG1 4.31Å; L472-V528 HydrophobicContact CD1-CB 4.25Å; L472-V528 HydrophobicContact CD1-CG1 4.04Å; V475-V528 HydrophobicContact CG2-CG2 4.44Å; G524-V528 WeakPolarHBondContact O-CG2 3.4Å; G524-V528 PolarHBondContact O-N 2.84Å; T525-V528 PolarHBondContact O-N 3.06Å; V528-S530 VanDerWaalsContact C-N 3.34Å; V528-S530 PolarHBondContact O-N 3.41Å; V528-V531 PolarHBondContact O-N 3.42Å; V528-W532 WeakPolarHBondContact O-CB 3.2Å; V528-W532 PolarHBondContact O-N 3.18Å |
| 529 | A | 92.9 | Very high | 92 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F506 P520 T525 R526 M527 W532 W533 | F506-A529 HydrophobicContact CE1-CB 3.84Å; F506-A529 HydrophobicContact CZ-CB 3.81Å; P520-A529 HydrophobicContact CG-CB 3.98Å; T525-A529 WeakPolarHBondContact O-CB 3.18Å; T525-A529 PolarHBondContact O-N 3.33Å; R526-A529 PolarHBondContact O-N 3.21Å; M527-A529 PolarHBondContact O-N 3.45Å; A529-W532 PolarHBondContact O-N 3.28Å; A529-W533 WeakPolarHBondContact O-CB 3.33Å; A529-W533 PolarHBondContact O-N 3.07Å |
| 530 | S | 92.7 | Very high | 92.4 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | -179 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | R526 M527 V528 W532 W533 F534 | R526-S530 VanDerWaalsContact O-CB 3.26Å; R526-S530 WeakPolarHBondContact O-CB 3.19Å; R526-S530 PolarHBondContact O-N 3.22Å; R526-S530 PolarHBondContact O-OG 3.1Å; M527-S530 PolarHBondContact O-N 3.02Å; V528-S530 VanDerWaalsContact C-N 3.34Å; V528-S530 PolarHBondContact O-N 3.41Å; S530-W532 VanDerWaalsContact C-N 3.33Å; S530-W533 PolarHBondContact O-N 3.16Å; S530-F534 WeakPolarHBondContact O-CB 3.32Å; S530-F534 PolarHBondContact O-N 3.15Å |
| 531 | V | 94.6 | Very high | 92.5 | Very high | 104 Ų | 104 | 66.8 Ų | 66.8 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | M527 V528 F534 F535 | M527-V531 WeakPolarHBondContact O-CG2 3.3Å; M527-V531 PolarHBondContact O-N 3.48Å; V528-V531 PolarHBondContact O-N 3.42Å; V531-F534 PolarHBondContact O-N 3.46Å; V531-F535 WeakPolarHBondContact O-CB 3.31Å; V531-F535 PolarHBondContact O-N 3.38Å |
| 532 | W | 94.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 4% | 0.038 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.2 | -177.8 | -114.3 | 0 | 0 | 0 | 112.3 | V468 T507 S510 V528 A529 S530 F534 F535 T536 | V468-W532 HydrophobicContact CB-CD2 4.28Å; V468-W532 HydrophobicContact CB-CE3 4.03Å; V468-W532 HydrophobicContact CB-CZ3 4.35Å; V468-W532 HydrophobicContact CG1-CB 4.02Å; V468-W532 HydrophobicContact CG1-CD2 3.91Å; V468-W532 HydrophobicContact CG1-CE3 4.08Å; V468-W532 HydrophobicContact CG1-CG 3.9Å; V468-W532 HydrophobicContact CG2-CD2 4.29Å; V468-W532 HydrophobicContact CG2-CE3 3.6Å; V468-W532 HydrophobicContact CG2-CZ3 3.91Å; T507-W532 PolarHBondContact O-NE1 2.73Å; S510-W532 PolarHBondContact OG-NE1 2.96Å; V528-W532 WeakPolarHBondContact O-CB 3.2Å; V528-W532 PolarHBondContact O-N 3.18Å; A529-W532 PolarHBondContact O-N 3.28Å; S530-W532 VanDerWaalsContact C-N 3.33Å; W532-F534 VanDerWaalsContact C-N 3.32Å; W532-F534 PolarHBondContact O-N 2.93Å; W532-F535 AromaticContact CE3-CD1 3.79Å; W532-F535 HydrophobicContact CE3-CD1 3.79Å; W532-F535 HydrophobicContact CE3-CE1 4.45Å; W532-F535 HydrophobicContact CH2-CD1 4.19Å; W532-F535 HydrophobicContact CH2-CE1 4.14Å; W532-F535 AromaticContact CZ3-CD1 3.53Å; W532-F535 HydrophobicContact CZ3-CD1 3.53Å; W532-F535 AromaticContact CZ3-CE1 3.74Å; W532-F535 HydrophobicContact CZ3-CE1 3.74Å; W532-F535 PolarHBondContact O-N 3.04Å; W532-T536 HydrophobicContact CD2-CG2 4.01Å; W532-T536 HydrophobicContact CG-CG2 4.37Å; W532-T536 HydrophobicContact CZ2-CG2 3.88Å; W532-T536 WeakPolarHBondContact O-CG2 3.09Å; W532-T536 PolarHBondContact O-N 2.97Å; W532-T536 PolarHBondContact O-OG1 3.41Å |
| 533 | W | 93.5 | Very high | 93 | Very high | 122 Ų | 122 | 65.5 Ų | 65.5 | 46% | 0.462 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.3 | -69.6 | -18.8 | 0 | 0 | 0 | 111.9 | F506 A529 S530 F535 T536 L537 | F506-W533 HydrophobicContact CE2-CZ2 4.38Å; F506-W533 AromaticContact CZ-CZ2 3.8Å; F506-W533 HydrophobicContact CZ-CZ2 3.8Å; A529-W533 WeakPolarHBondContact O-CB 3.33Å; A529-W533 PolarHBondContact O-N 3.07Å; S530-W533 PolarHBondContact O-N 3.16Å; W533-F535 PolarHBondContact O-N 2.79Å; W533-T536 WeakPolarHBondContact CA-OG1 3.48Å; W533-T536 PolarHBondContact O-N 2.79Å; W533-T536 PolarHBondContact O-OG1 2.8Å; W533-L537 WeakPolarHBondContact O-CB 3.41Å; W533-L537 PolarHBondContact O-N 2.82Å |
| 534 | F | 94.1 | Very high | 92.9 | Very high | 137 Ų | 137 | 63.2 Ų | 63.2 | 60% | 0.601 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 176.9 | -169 | -109.3 | 0 | 0 | 0 | 112.2 | S530 V531 W532 L537 I538 | S530-F534 WeakPolarHBondContact O-CB 3.32Å; S530-F534 PolarHBondContact O-N 3.15Å; V531-F534 PolarHBondContact O-N 3.46Å; W532-F534 VanDerWaalsContact C-N 3.32Å; W532-F534 PolarHBondContact O-N 2.93Å; F534-L537 PolarHBondContact O-N 2.83Å; F534-I538 HydrophobicContact CD1-CD1 3.78Å; F534-I538 HydrophobicContact CE1-CD1 3.36Å; F534-I538 HydrophobicContact CE1-CG1 4.45Å; F534-I538 HydrophobicContact CE2-CD1 4.44Å; F534-I538 HydrophobicContact CG-CD1 4.48Å; F534-I538 HydrophobicContact CZ-CD1 3.73Å; F534-I538 WeakPolarHBondContact O-CG1 3.36Å; F534-I538 PolarHBondContact O-N 2.81Å; F534-I538 VanDerWaalsContact O-N 3.1Å |
| 535 | F | 94.7 | Very high | 92.7 | Very high | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 174.5 | 172.1 | -100 | 0 | 0 | 0 | 112.1 | V531 W532 W533 L537 I538 L539 | V531-F535 WeakPolarHBondContact O-CB 3.31Å; V531-F535 PolarHBondContact O-N 3.38Å; W532-F535 AromaticContact CE3-CD1 3.79Å; W532-F535 HydrophobicContact CE3-CD1 3.79Å; W532-F535 HydrophobicContact CE3-CE1 4.45Å; W532-F535 HydrophobicContact CH2-CD1 4.19Å; W532-F535 HydrophobicContact CH2-CE1 4.14Å; W532-F535 AromaticContact CZ3-CD1 3.53Å; W532-F535 HydrophobicContact CZ3-CD1 3.53Å; W532-F535 AromaticContact CZ3-CE1 3.74Å; W532-F535 HydrophobicContact CZ3-CE1 3.74Å; W532-F535 PolarHBondContact O-N 3.04Å; W533-F535 PolarHBondContact O-N 2.79Å; F535-L537 VanDerWaalsContact C-N 3.31Å; F535-L537 PolarHBondContact O-N 2.8Å; F535-I538 PolarHBondContact O-N 2.82Å; F535-L539 HydrophobicContact CE1-CD2 4.01Å; F535-L539 HydrophobicContact CZ-CD2 4.27Å; F535-L539 WeakPolarHBondContact O-CB 3.46Å; F535-L539 PolarHBondContact O-N 2.95Å |
| 536 | T | 93.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.049 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 179.1 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | L511 W532 W533 L539 I540 | L511-T536 HydrophobicContact CB-CG2 4.33Å; L511-T536 HydrophobicContact CD1-CG2 3.99Å; W532-T536 HydrophobicContact CD2-CG2 4.01Å; W532-T536 HydrophobicContact CG-CG2 4.37Å; W532-T536 HydrophobicContact CZ2-CG2 3.88Å; W532-T536 WeakPolarHBondContact O-CG2 3.09Å; W532-T536 PolarHBondContact O-N 2.97Å; W532-T536 PolarHBondContact O-OG1 3.41Å; W533-T536 WeakPolarHBondContact CA-OG1 3.48Å; W533-T536 PolarHBondContact O-N 2.79Å; W533-T536 PolarHBondContact O-OG1 2.8Å; T536-L539 PolarHBondContact O-N 2.97Å; T536-I540 WeakPolarHBondContact O-CB 3.39Å; T536-I540 WeakPolarHBondContact O-CD1 3.27Å; T536-I540 WeakPolarHBondContact O-CG1 3.44Å; T536-I540 PolarHBondContact O-N 3.43Å |
| 537 | L | 92.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.9 | -177.9 | 151.8 | 0 | 0 | 0 | 111.7 | W533 F534 F535 L539 S541 | W533-L537 WeakPolarHBondContact O-CB 3.41Å; W533-L537 PolarHBondContact O-N 2.82Å; F534-L537 PolarHBondContact O-N 2.83Å; F535-L537 VanDerWaalsContact C-N 3.31Å; F535-L537 PolarHBondContact O-N 2.8Å; L537-L539 VanDerWaalsContact C-N 3.34Å; L537-S541 VanDerWaalsContact O-CB 3.24Å; L537-S541 WeakPolarHBondContact O-CB 3.45Å; L537-S541 PolarHBondContact O-N 3.48Å; L537-S541 PolarHBondContact O-OG 3.08Å |
| 538 | I | 93.9 | Very high | 91 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 177.9 | -69.7 | 172.2 | 0 | 0 | 0 | 110.4 | F534 F535 S541 S542 | F534-I538 HydrophobicContact CD1-CD1 3.78Å; F534-I538 HydrophobicContact CE1-CD1 3.36Å; F534-I538 HydrophobicContact CE1-CG1 4.45Å; F534-I538 HydrophobicContact CE2-CD1 4.44Å; F534-I538 HydrophobicContact CG-CD1 4.48Å; F534-I538 HydrophobicContact CZ-CD1 3.73Å; F534-I538 WeakPolarHBondContact O-CG1 3.36Å; F534-I538 PolarHBondContact O-N 2.81Å; F534-I538 VanDerWaalsContact O-N 3.1Å; F535-I538 PolarHBondContact O-N 2.82Å; I538-S541 PolarHBondContact O-N 3.3Å; I538-S542 VanDerWaalsContact O-CB 3.3Å; I538-S542 WeakPolarHBondContact O-CB 3.48Å; I538-S542 PolarHBondContact O-N 3.05Å; I538-S542 PolarHBondContact O-OG 3.1Å |
| 539 | L | 93.1 | Very high | 90.2 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.1 | -49.7 | -178.6 | -179 | 70 | 0 | 0 | 0 | 111.8 | L453 M461 L511 F535 T536 L537 S542 Y543 | L453-L539 HydrophobicContact CD1-CD1 4.24Å; M461-L539 HydrophobicContact CE-CD1 4.19Å; M461-L539 HydrophobicContact CE-CD2 3.75Å; M461-L539 HydrophobicContact CE-CG 4.3Å; M461-L539 HydrophobicContact CG-CD2 3.87Å; M461-L539 HydrophobicContact SD-CD2 3.89Å; L511-L539 HydrophobicContact CD1-CD2 3.9Å; F535-L539 HydrophobicContact CE1-CD2 4.01Å; F535-L539 HydrophobicContact CZ-CD2 4.27Å; F535-L539 WeakPolarHBondContact O-CB 3.46Å; F535-L539 PolarHBondContact O-N 2.95Å; T536-L539 PolarHBondContact O-N 2.97Å; L537-L539 VanDerWaalsContact C-N 3.34Å; L539-S542 PolarHBondContact O-N 3.39Å; L539-Y543 WeakPolarHBondContact O-CB 3.43Å; L539-Y543 PolarHBondContact O-N 3.42Å |
| 540 | I | 92 | Very high | 89.1 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | -178.5 | -63 | 166.3 | 0 | 0 | 0 | 110.7 | L511 Q513 T536 S542 Y543 T544 | L511-I540 VanDerWaalsContact O-CD1 3.22Å; L511-I540 WeakPolarHBondContact O-CD1 3.45Å; Q513-I540 HydrophobicContact CG-CD1 3.58Å; T536-I540 WeakPolarHBondContact O-CB 3.39Å; T536-I540 WeakPolarHBondContact O-CD1 3.27Å; T536-I540 WeakPolarHBondContact O-CG1 3.44Å; T536-I540 PolarHBondContact O-N 3.43Å; I540-S542 VanDerWaalsContact C-N 3.32Å; I540-S542 PolarHBondContact O-N 3.03Å; I540-Y543 PolarHBondContact O-N 3.18Å; I540-T544 WeakPolarHBondContact O-CB 3.5Å; I540-T544 PolarHBondContact O-N 3.5Å; I540-T544 PolarHBondContact O-OG1 2.62Å |
| 541 | S | 91.6 | Very high | 87.9 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.5 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | L537 I538 T544 A545 | L537-S541 VanDerWaalsContact O-CB 3.24Å; L537-S541 WeakPolarHBondContact O-CB 3.45Å; L537-S541 PolarHBondContact O-N 3.48Å; L537-S541 PolarHBondContact O-OG 3.08Å; I538-S541 PolarHBondContact O-N 3.3Å; S541-T544 PolarHBondContact O-N 3.13Å; S541-A545 WeakPolarHBondContact O-CB 3.28Å; S541-A545 PolarHBondContact O-N 3.07Å |
| 542 | S | 91.5 | Very high | 86.5 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | I538 L539 I540 A545 N546 | I538-S542 VanDerWaalsContact O-CB 3.3Å; I538-S542 WeakPolarHBondContact O-CB 3.48Å; I538-S542 PolarHBondContact O-N 3.05Å; I538-S542 PolarHBondContact O-OG 3.1Å; L539-S542 PolarHBondContact O-N 3.39Å; I540-S542 VanDerWaalsContact C-N 3.32Å; I540-S542 PolarHBondContact O-N 3.03Å; S542-A545 PolarHBondContact O-N 3.12Å; S542-N546 VanDerWaalsContact O-CB 3.28Å; S542-N546 WeakPolarHBondContact O-CB 3.44Å; S542-N546 PolarHBondContact O-N 2.88Å |
| 543 | Y | 91.6 | Very high | 84.8 | Confident | 50 Ų | 50 | 70.5 Ų | 70.5 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 174 | 171.9 | -94.8 | 0 | 0 | 0 | 111.2 | F449 P452 L453 W458 L539 I540 N546 L547 | F449-Y543 WeakPolarHBondContact O-CE2 3.43Å; F449-Y543 PolarHBondContact O-OH 3.26Å; P452-Y543 HydrophobicContact CB-CD2 4Å; P452-Y543 HydrophobicContact CB-CE2 4.14Å; P452-Y543 HydrophobicContact CG-CD2 4.32Å; P452-Y543 HydrophobicContact CG-CE2 3.98Å; L453-Y543 HydrophobicContact CD1-CD2 4.02Å; L453-Y543 HydrophobicContact CG-CD2 4.08Å; W458-Y543 HydrophobicContact CZ2-CE2 4.47Å; L539-Y543 WeakPolarHBondContact O-CB 3.43Å; L539-Y543 PolarHBondContact O-N 3.42Å; I540-Y543 PolarHBondContact O-N 3.18Å; Y543-N546 PolarHBondContact O-N 3.25Å; Y543-L547 HydrophobicContact CE1-CD2 4.12Å; Y543-L547 VanDerWaalsContact O-CB 3.23Å; Y543-L547 WeakPolarHBondContact O-CB 3.42Å; Y543-L547 PolarHBondContact O-N 3.18Å |
| 544 | T | 87.9 | Confident | 83.1 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | -179.4 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | I540 S541 A548 | I540-T544 WeakPolarHBondContact O-CB 3.5Å; I540-T544 PolarHBondContact O-N 3.5Å; I540-T544 PolarHBondContact O-OG1 2.62Å; S541-T544 PolarHBondContact O-N 3.13Å; T544-A548 WeakPolarHBondContact O-CB 3.42Å; T544-A548 PolarHBondContact O-N 3.46Å |
| 545 | A | 88.2 | Confident | 81.3 | Confident | 63 Ų | 63 | 72.1 Ų | 72.1 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | S541 S542 A548 A549 | S541-A545 WeakPolarHBondContact O-CB 3.28Å; S541-A545 PolarHBondContact O-N 3.07Å; S542-A545 PolarHBondContact O-N 3.12Å; A545-A548 PolarHBondContact O-N 3.18Å; A545-A549 WeakPolarHBondContact O-CB 3.21Å; A545-A549 PolarHBondContact O-N 3.37Å |
| 546 | N | 85 | Confident | 79.6 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.8 | -33.7 | -179.4 | -162 | 33.4 | 0 | 0 | 0 | 112.1 | P452 S542 Y543 A549 F550 | P452-N546 WeakPolarHBondContact CA-ND2 3.34Å; P452-N546 HydrophobicContact CB-CB 4.08Å; P452-N546 PolarHBondContact O-ND2 2.91Å; S542-N546 VanDerWaalsContact O-CB 3.28Å; S542-N546 WeakPolarHBondContact O-CB 3.44Å; S542-N546 PolarHBondContact O-N 2.88Å; Y543-N546 PolarHBondContact O-N 3.25Å; N546-A549 PolarHBondContact O-N 3.07Å; N546-F550 VanDerWaalsContact O-CB 3.24Å; N546-F550 WeakPolarHBondContact O-CB 3.35Å; N546-F550 PolarHBondContact O-N 3.27Å |
| 547 | L | 82.1 | Confident | 78.2 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 171.7 | -176.8 | 64.8 | 0 | 0 | 0 | 111.2 | P452 Y543 F550 L551 | P452-L547 HydrophobicContact CG-CB 3.93Å; P452-L547 HydrophobicContact CG-CD1 3.73Å; P452-L547 HydrophobicContact CG-CG 4.43Å; Y543-L547 HydrophobicContact CE1-CD2 4.12Å; Y543-L547 VanDerWaalsContact O-CB 3.23Å; Y543-L547 WeakPolarHBondContact O-CB 3.42Å; Y543-L547 PolarHBondContact O-N 3.18Å; L547-F550 PolarHBondContact O-N 2.97Å; L547-L551 HydrophobicContact CG-CD1 4.29Å; L547-L551 VanDerWaalsContact O-CG 3.31Å; L547-L551 WeakPolarHBondContact O-CG 3.49Å; L547-L551 PolarHBondContact O-N 3Å |
| 548 | A | 76.3 | Confident | 77 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T544 A545 F550 L551 T552 | T544-A548 WeakPolarHBondContact O-CB 3.42Å; T544-A548 PolarHBondContact O-N 3.46Å; A545-A548 PolarHBondContact O-N 3.18Å; A548-F550 VanDerWaalsContact C-N 3.35Å; A548-F550 PolarHBondContact O-N 2.84Å; A548-L551 PolarHBondContact O-N 2.92Å; A548-T552 WeakPolarHBondContact O-CG2 3.4Å; A548-T552 PolarHBondContact O-N 3.43Å |
| 549 | A | 77.4 | Confident | 75.9 | Confident | 47 Ų | 47 | 79.4 Ų | 79.4 | 39% | 0.388 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A545 N546 T552 V553 | A545-A549 WeakPolarHBondContact O-CB 3.21Å; A545-A549 PolarHBondContact O-N 3.37Å; N546-A549 PolarHBondContact O-N 3.07Å; A549-T552 PolarHBondContact O-N 3.29Å; A549-T552 PolarHBondContact O-OG1 3.43Å; A549-V553 WeakPolarHBondContact O-CG2 3.33Å; A549-V553 PolarHBondContact O-N 3.1Å |
| 550 | F | 70.9 | Confident | 75.3 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 177.1 | -171.2 | -95.7 | 0 | 0 | 0 | 111.7 | N546 L547 A548 T552 V553 | N546-F550 VanDerWaalsContact O-CB 3.24Å; N546-F550 WeakPolarHBondContact O-CB 3.35Å; N546-F550 PolarHBondContact O-N 3.27Å; L547-F550 PolarHBondContact O-N 2.97Å; A548-F550 VanDerWaalsContact C-N 3.35Å; A548-F550 PolarHBondContact O-N 2.84Å; F550-T552 VanDerWaalsContact C-N 3.34Å; F550-T552 PolarHBondContact O-N 3.42Å; F550-V553 PolarHBondContact O-N 3.32Å |
| 551 | L | 66.4 | Low | 74.9 | Confident | 67 Ų | 67 | 81.1 Ų | 81.1 | 35% | 0.351 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 177.3 | -71.9 | 170.9 | 0 | 0 | 0 | 113.3 | L547 A548 L712 | L547-L551 HydrophobicContact CG-CD1 4.29Å; L547-L551 VanDerWaalsContact O-CG 3.31Å; L547-L551 WeakPolarHBondContact O-CG 3.49Å; L547-L551 PolarHBondContact O-N 3Å; A548-L551 PolarHBondContact O-N 2.92Å; L551-L712 HydrophobicContact CD1-CD2 3.97Å |
| 552 | T | 66.2 | Low | 74.7 | Confident | 115 Ų | 115 | 78.8 Ų | 78.8 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -77.8 | -24.1 | 175.4 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | A548 A549 F550 E554 | A548-T552 WeakPolarHBondContact O-CG2 3.4Å; A548-T552 PolarHBondContact O-N 3.43Å; A549-T552 PolarHBondContact O-N 3.29Å; A549-T552 PolarHBondContact O-OG1 3.43Å; F550-T552 VanDerWaalsContact C-N 3.34Å; F550-T552 PolarHBondContact O-N 3.42Å; T552-E554 PolarHBondContact O-N 2.91Å |
| 553 | V | 59.2 | Low | 74.5 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | trans | -95 | 85.2 | 179.2 | -176 | 0 | 0 | 0 | 0 | 109.8 | A549 F550 R555 | A549-V553 WeakPolarHBondContact O-CG2 3.33Å; A549-V553 PolarHBondContact O-N 3.1Å; F550-V553 PolarHBondContact O-N 3.32Å; V553-R555 HydrophobicContact CG1-CG 3.93Å; V553-R555 PolarHBondContact O-N 2.82Å | ||
| 554 | E | 56.8 | Low | 74.5 | Confident | 108 Ų | 108 | 77.9 Ų | 77.9 | 51% | 0.505 | 43% | 0.43 | S | S | . | . | trans | -67.2 | 111.2 | 165.9 | -66.9 | -170.6 | 175.1 | 0 | 0 | 109.8 | R441 T552 | R441-E554 IonicContact CZ-OE2 3.07Å; R441-E554 IonicContact NE-OE2 2.85Å; R441-E554 PolarHBondContact NE-OE2 2.83Å; R441-E554 IonicContact NH1-OE1 2.7Å; R441-E554 IonicContact NH1-OE2 2.79Å; R441-E554 IonicContact NH2-OE2 3.23Å; R441-E554 PolarHBondContact NH2-OE2 3.45Å; T552-E554 PolarHBondContact O-N 2.91Å | ||
| 555 | R | 55.9 | Low | 74.6 | Confident | 184 Ų | 184 | 76.1 Ų | 76.1 | 69% | 0.694 | 42% | 0.417 | S | S | * | . | trans | -93.4 | 118.6 | 174.2 | -64.2 | -172.4 | -178.4 | 178.1 | 0.8 | 110.3 | V553 E557 | V553-R555 HydrophobicContact CG1-CG 3.93Å; V553-R555 PolarHBondContact O-N 2.82Å; R555-E557 PolarHBondContact O-N 3.09Å | ||
| 556 | M | 60.6 | Low | 74.6 | Confident | 89 Ų | 89 | 73.1 Ų | 73.1 | 44% | 0.438 | 39% | 0.392 | S | S | . | . | trans | -81.1 | 108.9 | 161.9 | -73.7 | -178.2 | -77.1 | 0 | 0 | 108.1 | F558 | M556-F558 PolarHBondContact O-N 3.05Š| ||
| 557 | E | 63.5 | Low | 74.8 | Confident | 144 Ų | 144 | 71.4 Ų | 71.4 | 67% | 0.673 | 38% | 0.383 | S | S | * | . | trans | -81.5 | 115.8 | 173.6 | -70.8 | -173.5 | 166.3 | 0 | 0 | 110.2 | R555 | R555-E557 PolarHBondContact O-N 3.09Š| ||
| 558 | F | 66.7 | Low | 75.1 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | trans | -82.1 | 128.2 | 169.9 | -69.5 | -85.7 | 0 | 0 | 0 | 109.5 | P439 M556 I560 T645 I647 | P439-F558 HydrophobicContact CG-CD1 3.67Å; P439-F558 HydrophobicContact CG-CE1 3.94Å; P439-F558 HydrophobicContact CG-CG 4.28Å; M556-F558 PolarHBondContact O-N 3.05Å; F558-I560 WeakPolarHBondContact CB-O 3.45Å; F558-I560 PolarHBondContact O-N 3.37Å; F558-T645 HydrophobicContact CE1-CG2 3.75Å; F558-T645 HydrophobicContact CZ-CG2 4.48Å; F558-I647 HydrophobicContact CD1-CD1 3.9Å; F558-I647 HydrophobicContact CD1-CG1 4.22Å; F558-I647 HydrophobicContact CE1-CD1 4.42Å; F558-I647 HydrophobicContact CE1-CG1 4.39Å | ||
| 559 | T | 72.1 | Confident | 75.7 | Confident | 105 Ų | 105 | 76.3 Ų | 76.3 | 64% | 0.644 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -69.9 | -15.9 | 175.5 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 560 | I | 80 | Confident | 76.1 | Confident | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.015 | 41% | 0.41 | C | S | . | . | trans | -138.6 | 132.8 | 179.5 | 46.9 | 166.6 | 0 | 0 | 0 | 108.6 | Y436 F558 D565 L566 I572 I647 | Y436-I560 HydrophobicContact CD1-CD1 4.26Å; Y436-I560 HydrophobicContact CD2-CD1 4.13Å; Y436-I560 HydrophobicContact CE1-CD1 4.34Å; Y436-I560 HydrophobicContact CE1-CG1 4.48Å; Y436-I560 HydrophobicContact CE2-CD1 4.25Å; Y436-I560 HydrophobicContact CG-CD1 4.12Å; F558-I560 WeakPolarHBondContact CB-O 3.45Å; F558-I560 PolarHBondContact O-N 3.37Å; I560-D565 HydrophobicContact CB-CB 4.25Å; I560-D565 HydrophobicContact CG2-CB 4.04Å; I560-L566 HydrophobicContact CD1-CD2 3.82Å; I560-L566 HydrophobicContact CD1-CG 4.47Å; I560-L566 HydrophobicContact CG2-CD2 4.28Å; I560-I572 HydrophobicContact CD1-CD1 4.3Å; I560-I572 HydrophobicContact CG1-CD1 4.38Å; I560-I572 HydrophobicContact CG2-CD1 3.68Å; I560-I647 HydrophobicContact CD1-CD1 3.73Å; I560-I647 HydrophobicContact CD1-CG2 4.39Å; I560-I647 HydrophobicContact CG1-CD1 3.6Å; I560-I647 HydrophobicContact CG1-CG2 4.19Å; I560-I647 WeakPolarHBondContact O-CG2 3.47Å | ||
| 561 | S | 82.3 | Confident | 77 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | trans | -101.8 | -20.5 | 178.9 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | D565 G648 | S561-D565 WeakPolarHBondContact CB-OD2 3.4Å; S561-D565 PolarHBondContact N-OD2 3.4Å; S561-D565 PolarHBondContact OG-OD2 3.22Å; S561-G648 WeakPolarHBondContact O-CA 3.5Å; S561-G648 PolarHBondContact O-N 2.95Å | ||
| 562 | G | 87.9 | Confident | 78.1 | Confident | 15 Ų | 15 | 80.5 Ų | 80.5 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -176.2 | -167.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E564 D565 | G562-E564 VanDerWaalsContact C-N 3.32Å; G562-E564 PolarHBondContact O-N 3.05Å; G562-D565 PolarHBondContact O-N 3.47Å |
| 563 | A | 88.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 79.7 Ų | 79.7 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -33.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | I434 D565 L566 I567 Y594 M597 L651 | I434-A563 HydrophobicContact CD1-CB 4.38Å; A563-D565 VanDerWaalsContact C-N 3.27Å; A563-D565 PolarHBondContact O-N 3.27Å; A563-L566 WeakPolarHBondContact O-CB 3.38Å; A563-L566 PolarHBondContact O-N 3.48Å; A563-I567 PolarHBondContact O-N 2.9Å; A563-Y594 HydrophobicContact CB-CE1 4.29Å; A563-M597 HydrophobicContact CB-CE 4.45Å; A563-M597 HydrophobicContact CB-SD 3.85Å; A563-L651 HydrophobicContact CB-CD1 4.29Å; A563-L651 HydrophobicContact CB-CD2 3.7Å |
| 564 | E | 89.9 | Confident | 81.1 | Confident | 84 Ų | 84 | 76.7 Ų | 76.7 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 176.6 | -73.1 | -64.9 | 159.9 | 0 | 0 | 112.5 | G562 L566 I567 K568 T593 | G562-E564 VanDerWaalsContact C-N 3.32Å; G562-E564 PolarHBondContact O-N 3.05Å; E564-L566 VanDerWaalsContact C-N 3.32Å; E564-I567 WeakPolarHBondContact O-CG1 3.41Å; E564-K568 WeakPolarHBondContact O-CG 3.14Å; E564-K568 PolarHBondContact O-N 3.35Å; E564-T593 HydrophobicContact CG-CG2 4.3Å; E564-T593 WeakPolarHBondContact OE1-CB 3.21Å; E564-T593 WeakPolarHBondContact OE1-CG2 3.49Å; E564-T593 PolarHBondContact OE1-OG1 3.06Å |
| 565 | D | 89.9 | Confident | 83 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.6 | -32.4 | 179.1 | -64.6 | -21.7 | 0 | 0 | 0 | 110.8 | I560 S561 G562 A563 I567 K568 Q569 | I560-D565 HydrophobicContact CB-CB 4.25Å; I560-D565 HydrophobicContact CG2-CB 4.04Å; S561-D565 WeakPolarHBondContact CB-OD2 3.4Å; S561-D565 PolarHBondContact N-OD2 3.4Å; S561-D565 PolarHBondContact OG-OD2 3.22Å; G562-D565 PolarHBondContact O-N 3.47Å; A563-D565 VanDerWaalsContact C-N 3.27Å; A563-D565 PolarHBondContact O-N 3.27Å; D565-I567 VanDerWaalsContact C-N 3.31Å; D565-I567 PolarHBondContact O-N 3.05Å; D565-K568 PolarHBondContact O-N 3.01Å; D565-Q569 WeakPolarHBondContact O-CG 3.39Å |
| 566 | L | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 177.5 | -73.6 | 175.1 | 0 | 0 | 0 | 112.7 | I434 I560 A563 E564 Q569 I572 Y574 M597 A626 | I434-L566 HydrophobicContact CD1-CD1 3.88Å; I434-L566 HydrophobicContact CG2-CD1 4.26Å; I560-L566 HydrophobicContact CD1-CD2 3.82Å; I560-L566 HydrophobicContact CD1-CG 4.47Å; I560-L566 HydrophobicContact CG2-CD2 4.28Å; A563-L566 WeakPolarHBondContact O-CB 3.38Å; A563-L566 PolarHBondContact O-N 3.48Å; E564-L566 VanDerWaalsContact C-N 3.32Å; L566-Q569 PolarHBondContact O-NE2 2.94Å; L566-Q569 VanDerWaalsContact O-O 3.08Å; L566-I572 HydrophobicContact CD2-CB 4.36Å; L566-I572 HydrophobicContact CD2-CG2 3.91Å; L566-Y574 HydrophobicContact CB-CD1 3.89Å; L566-Y574 HydrophobicContact CB-CE1 3.88Å; L566-Y574 HydrophobicContact CD1-CD1 4.26Å; L566-Y574 HydrophobicContact CD1-CG 4.25Å; L566-Y574 HydrophobicContact CD2-CD1 4.06Å; L566-Y574 HydrophobicContact CG-CD1 4.31Å; L566-Y574 WeakPolarHBondContact O-CE1 3.38Å; L566-M597 HydrophobicContact CD1-CE 4.26Å; L566-A626 HydrophobicContact CD1-CB 4.43Å; L566-A626 HydrophobicContact CD2-CB 4.19Å |
| 567 | I | 89.1 | Confident | 86.4 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -81.7 | -23.7 | 178.9 | 60.4 | 164.1 | 0 | 0 | 0 | 113.5 | A563 E564 D565 Q569 T593 K596 M597 | A563-I567 PolarHBondContact O-N 2.9Å; E564-I567 WeakPolarHBondContact O-CG1 3.41Å; D565-I567 VanDerWaalsContact C-N 3.31Å; D565-I567 PolarHBondContact O-N 3.05Å; I567-Q569 PolarHBondContact O-N 3.31Å; I567-T593 HydrophobicContact CD1-CG2 3.97Å; I567-K596 HydrophobicContact CD1-CD 4.18Å; I567-K596 HydrophobicContact CG2-CB 4.38Å; I567-M597 HydrophobicContact CG2-CB 4.42Å; I567-M597 HydrophobicContact CG2-CG 3.35Å |
| 568 | K | 89.3 | Confident | 87.6 | Confident | 155 Ų | 155 | 57.1 Ų | 57.1 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -77 | -9.6 | 179.3 | -71.5 | 170.8 | -171.3 | 170.4 | 0 | 113.2 | E564 D565 | E564-K568 WeakPolarHBondContact O-CG 3.14Å; E564-K568 PolarHBondContact O-N 3.35Å; D565-K568 PolarHBondContact O-N 3.01Å |
| 569 | Q | 88.9 | Confident | 88.5 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | trans | -131.3 | 159 | -174.7 | 66.2 | 77.3 | 35.3 | 0 | 0 | 110.9 | D565 L566 I567 I572 | D565-Q569 WeakPolarHBondContact O-CG 3.39Å; L566-Q569 PolarHBondContact O-NE2 2.94Å; L566-Q569 VanDerWaalsContact O-O 3.08Å; I567-Q569 PolarHBondContact O-N 3.31Å; Q569-I572 PolarHBondContact NE2-O 3.34Å | ||
| 570 | T | 85.8 | Confident | 89.2 | Confident | 122 Ų | 122 | 54.8 Ų | 54.8 | 75% | 0.748 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -117.4 | -9.9 | -176.9 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | K573 | T570-K573 PolarHBondContact O-NZ 2.89Š|
| 571 | K | 88.2 | Confident | 89.6 | Confident | 158 Ų | 158 | 55.7 Ų | 55.7 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -74.3 | -45.3 | -173.7 | -176.4 | 179.4 | 178.9 | -179.4 | 0 | 112.7 | ||
| 572 | I | 90.5 | Very high | 90 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -88.5 | 112.1 | 178.1 | -56.5 | 165.8 | 0 | 0 | 0 | 107.3 | Y436 I560 L566 Q569 N624 A626 | Y436-I572 HydrophobicContact CE2-CG2 3.73Å; Y436-I572 WeakPolarHBondContact OH-CD1 3.47Å; I560-I572 HydrophobicContact CD1-CD1 4.3Å; I560-I572 HydrophobicContact CG1-CD1 4.38Å; I560-I572 HydrophobicContact CG2-CD1 3.68Å; L566-I572 HydrophobicContact CD2-CB 4.36Å; L566-I572 HydrophobicContact CD2-CG2 3.91Å; Q569-I572 PolarHBondContact NE2-O 3.34Å; I572-N624 WeakPolarHBondContact CA-O 3.36Å; I572-A626 HydrophobicContact CG2-CB 4.18Å |
| 573 | K | 94 | Very high | 90.2 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 155.4 | 171.4 | -60.4 | -57 | -176.8 | -171.9 | 0 | 109.3 | T570 V608 N624 Y625 A626 | T570-K573 PolarHBondContact O-NZ 2.89Å; K573-V608 HydrophobicContact CB-CG1 4.1Å; K573-N624 PolarHBondContact N-O 2.98Å; K573-Y625 HydrophobicContact CB-CD2 4.08Å; K573-Y625 CarbonylContact O-C 3.4Å; K573-Y625 VanDerWaalsContact O-CA 3.25Å; K573-Y625 WeakPolarHBondContact O-CA 3.33Å; K573-A626 PolarHBondContact O-N 3.22Å |
| 574 | Y | 95.1 | Very high | 90.4 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 150.8 | 176.6 | 50.5 | -90.5 | 0 | 0 | 0 | 110.2 | L566 M597 A600 M601 V608 A626 L628 | L566-Y574 HydrophobicContact CB-CD1 3.89Å; L566-Y574 HydrophobicContact CB-CE1 3.88Å; L566-Y574 HydrophobicContact CD1-CD1 4.26Å; L566-Y574 HydrophobicContact CD1-CG 4.25Å; L566-Y574 HydrophobicContact CD2-CD1 4.06Å; L566-Y574 HydrophobicContact CG-CD1 4.31Å; L566-Y574 WeakPolarHBondContact O-CE1 3.38Å; Y574-M597 HydrophobicContact CD2-CE 3.81Å; Y574-M597 HydrophobicContact CE2-CB 3.79Å; Y574-M597 HydrophobicContact CE2-CE 3.83Å; Y574-M597 HydrophobicContact CE2-CG 3.88Å; Y574-A600 VanDerWaalsContact OH-CB 3.27Å; Y574-A600 WeakPolarHBondContact OH-CB 3.15Å; Y574-M601 HydrophobicContact CD2-CG 3.64Å; Y574-M601 HydrophobicContact CD2-SD 3.99Å; Y574-M601 HydrophobicContact CE2-CG 3.69Å; Y574-M601 HydrophobicContact CE2-SD 4.39Å; Y574-M601 WeakPolarHBondContact O-CG 3.44Å; Y574-V608 VanDerWaalsContact O-CB 3.26Å; Y574-V608 WeakPolarHBondContact O-CB 3.37Å; Y574-V608 VanDerWaalsContact O-CG2 3.26Å; Y574-V608 WeakPolarHBondContact O-CG2 3.22Å; Y574-A626 WeakPolarHBondContact CA-O 3.34Å; Y574-A626 WeakPolarHBondContact CB-O 3.26Å; Y574-L628 HydrophobicContact CD2-CD1 4.22Å |
| 575 | G | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 169.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y625 A626 Y627 L628 | G575-Y625 VanDerWaalsContact CA-OH 3.3Å; G575-Y625 WeakPolarHBondContact CA-OH 3.17Å; G575-Y625 PolarHBondContact N-OH 2.52Å; G575-Y625 PolarHBondContact O-OH 2.86Å; G575-A626 PolarHBondContact N-O 3.24Å; G575-Y627 WeakPolarHBondContact O-CD2 3.46Å; G575-L628 WeakPolarHBondContact O-CB 3.43Å; G575-L628 PolarHBondContact O-N 2.97Å |
| 576 | S | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 179.4 | 174.7 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | F609 V610 | S576-F609 WeakPolarHBondContact O-CA 3.31Å; S576-V610 PolarHBondContact O-N 3.01Å; S576-V610 VanDerWaalsContact O-N 3.13Å |
| 577 | L | 92 | Very high | 90.9 | Very high | 36 Ų | 36 | 57.5 Ų | 57.5 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -56.1 | 141.7 | 164.7 | -165.3 | 71.6 | 0 | 0 | 0 | 109.3 | R579 M583 V610 | L577-R579 HydrophobicContact CD2-CG 3.97Å; L577-R579 HydrophobicContact CG-CG 4.08Å; L577-R579 PolarHBondContact O-N 3.07Å; L577-M583 WeakPolarHBondContact O-CB 3.18Å; L577-V610 CarbonylContact C-O 3.59Å; L577-V610 WeakPolarHBondContact CA-O 3.46Å; L577-V610 HydrophobicContact CD1-CG2 4.38Å |
| 578 | N | 89.2 | Confident | 91 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 42% | 0.422 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -71.1 | 16.5 | -179.2 | -168.4 | 22.6 | 0 | 0 | 0 | 114 | M583 F609 V610 | N578-M583 VanDerWaalsContact O-SD 3.39Å; N578-F609 HydrophobicContact CB-CB 3.89Å; N578-V610 WeakPolarHBondContact CB-O 3.24Å; N578-V610 PolarHBondContact N-O 2.92Å |
| 579 | R | 86.3 | Confident | 91.1 | Very high | 121 Ų | 121 | 53 Ų | 53 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -164.5 | 167.1 | -179 | 50 | -176.1 | 160.3 | -175.6 | -4.3 | 108.8 | L577 | L577-R579 HydrophobicContact CD2-CG 3.97Å; L577-R579 HydrophobicContact CG-CG 4.08Å; L577-R579 PolarHBondContact O-N 3.07Å |
| 580 | G | 86.3 | Confident | 91.3 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 93.9 | -176 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T582 Q584 | G580-T582 PolarHBondContact O-N 2.82Å; G580-Q584 PolarHBondContact O-N 3.01Å |
| 581 | S | 87.8 | Confident | 91.6 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -37.8 | -172.3 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | T412 F585 E630 | T412-S581 PolarHBondContact OG1-OG 2.88Å; S581-F585 WeakPolarHBondContact O-CB 3.33Å; S581-F585 PolarHBondContact O-N 2.55Å; S581-E630 PolarHBondContact OG-OE1 2.75Å |
| 582 | T | 92.5 | Very high | 91.8 | Very high | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -47 | -177.7 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | I432 G580 F585 F586 L628 | I432-T582 HydrophobicContact CD1-CG2 3.96Å; I432-T582 HydrophobicContact CG1-CG2 4.02Å; I432-T582 HydrophobicContact CG2-CG2 3.96Å; G580-T582 PolarHBondContact O-N 2.82Å; T582-F585 WeakPolarHBondContact O-CB 3.41Å; T582-F585 PolarHBondContact O-N 3.35Å; T582-F586 HydrophobicContact CG2-CD2 4.38Å; T582-F586 HydrophobicContact CG2-CE2 3.99Å; T582-F586 WeakPolarHBondContact O-CD2 3.27Å; T582-F586 PolarHBondContact O-N 3.36Å; T582-L628 HydrophobicContact CG2-CB 4.26Å |
| 583 | M | 92.1 | Very high | 92 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 18% | 0.177 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 176.6 | -178.3 | -170.6 | 166.2 | 0 | 0 | 111.2 | L577 N578 F585 F586 K587 W598 F609 | L577-M583 WeakPolarHBondContact O-CB 3.18Å; N578-M583 VanDerWaalsContact O-SD 3.39Å; M583-F585 VanDerWaalsContact C-N 3.28Å; M583-F585 PolarHBondContact O-N 3.16Å; M583-F586 PolarHBondContact O-N 2.76Å; M583-K587 WeakPolarHBondContact O-CB 3.42Å; M583-K587 PolarHBondContact O-N 3.38Å; M583-W598 HydrophobicContact CE-CH2 3.76Å; M583-W598 HydrophobicContact CE-CZ3 4.27Å; M583-W598 HydrophobicContact CG-CH2 4.26Å; M583-W598 HydrophobicContact CG-CZ3 3.88Å; M583-F609 HydrophobicContact CG-CE1 4.16Å |
| 584 | Q | 90.7 | Very high | 92 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | -179.2 | -166.9 | 64.2 | 23.1 | 0 | 0 | 111.6 | G580 K587 D588 | G580-Q584 PolarHBondContact O-N 3.01Å; Q584-K587 PolarHBondContact O-N 2.78Å; Q584-D588 WeakPolarHBondContact CG-OD2 3.46Å; Q584-D588 PolarHBondContact NE2-OD1 2.69Å; Q584-D588 PolarHBondContact NE2-OD2 2.99Å; Q584-D588 WeakPolarHBondContact O-CB 3.18Å; Q584-D588 PolarHBondContact O-N 3.2Å |
| 585 | F | 93.6 | Very high | 92 | Very high | 44 Ų | 44 | 55 Ų | 55 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.7 | -51.6 | 173.6 | 168.1 | -94.5 | 0 | 0 | 0 | 112.3 | I432 S581 T582 M583 K587 D588 S589 Y594 D652 | I432-F585 HydrophobicContact CD1-CB 3.77Å; I432-F585 HydrophobicContact CD1-CD1 3.22Å; I432-F585 HydrophobicContact CD1-CD2 4.27Å; I432-F585 HydrophobicContact CD1-CE1 3.81Å; I432-F585 HydrophobicContact CD1-CG 3.48Å; I432-F585 VanDerWaalsContact CD1-CG 3.48Å; S581-F585 WeakPolarHBondContact O-CB 3.33Å; S581-F585 PolarHBondContact O-N 2.55Å; T582-F585 WeakPolarHBondContact O-CB 3.41Å; T582-F585 PolarHBondContact O-N 3.35Å; M583-F585 VanDerWaalsContact C-N 3.28Å; M583-F585 PolarHBondContact O-N 3.16Å; F585-K587 VanDerWaalsContact C-N 3.3Å; F585-K587 PolarHBondContact O-N 2.81Å; F585-D588 PolarHBondContact O-N 3.11Å; F585-S589 WeakPolarHBondContact O-CB 3.46Å; F585-S589 PolarHBondContact O-N 3.26Å; F585-Y594 AromaticContact CE1-CD2 3.81Å; F585-Y594 HydrophobicContact CE1-CD2 3.81Å; F585-Y594 HydrophobicContact CE1-CE2 4.03Å; F585-Y594 HydrophobicContact CE1-CG 4.14Å; F585-Y594 AromaticContact CZ-CD2 3.57Å; F585-Y594 HydrophobicContact CZ-CD2 3.57Å; F585-Y594 AromaticContact CZ-CE2 3.56Å; F585-Y594 HydrophobicContact CZ-CE2 3.56Å; F585-Y594 HydrophobicContact CZ-CG 4.36Å; F585-D652 HydrophobicContact CD2-CB 4.43Å; F585-D652 WeakPolarHBondContact CD2-OD2 3.41Å; F585-D652 HydrophobicContact CE2-CB 3.68Å; F585-D652 HydrophobicContact CZ-CB 3.87Å |
| 586 | F | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 179.6 | -72.1 | -72.6 | 0 | 0 | 0 | 112 | I432 T582 M583 Y594 M597 W598 M601 L628 L651 | I432-F586 HydrophobicContact CD1-CE2 4.16Å; I432-F586 HydrophobicContact CG2-CE2 4.12Å; I432-F586 HydrophobicContact CG2-CZ 4.19Å; T582-F586 HydrophobicContact CG2-CD2 4.38Å; T582-F586 HydrophobicContact CG2-CE2 3.99Å; T582-F586 WeakPolarHBondContact O-CD2 3.27Å; T582-F586 PolarHBondContact O-N 3.36Å; M583-F586 PolarHBondContact O-N 2.76Å; F586-Y594 HydrophobicContact CD1-CD1 4.4Å; F586-Y594 HydrophobicContact CD1-CG 4.4Å; F586-Y594 AromaticContact CE1-CD1 3.9Å; F586-Y594 HydrophobicContact CE1-CD1 3.9Å; F586-Y594 HydrophobicContact CE1-CG 4.27Å; F586-M597 HydrophobicContact CD1-CB 4.22Å; F586-M597 HydrophobicContact CD1-SD 4.5Å; F586-M597 HydrophobicContact CE1-CB 4.44Å; F586-M597 HydrophobicContact CE1-CE 3.96Å; F586-M597 HydrophobicContact CE1-SD 3.83Å; F586-M597 HydrophobicContact CZ-CE 4.28Å; F586-W598 HydrophobicContact CB-CB 4.28Å; F586-W598 HydrophobicContact CB-CE3 4.09Å; F586-W598 WeakPolarHBondContact O-CB 3.26Å; F586-M601 HydrophobicContact CB-CE 3.66Å; F586-M601 HydrophobicContact CD1-CE 4.13Å; F586-M601 HydrophobicContact CD2-CE 3.92Å; F586-M601 HydrophobicContact CG-CE 3.63Å; F586-L628 HydrophobicContact CD2-CD1 4.27Å; F586-L628 HydrophobicContact CE1-CD1 4.37Å; F586-L628 HydrophobicContact CE2-CB 4.13Å; F586-L628 HydrophobicContact CE2-CD1 3.58Å; F586-L628 HydrophobicContact CE2-CG 4.4Å; F586-L628 HydrophobicContact CZ-CD1 3.65Å; F586-L628 HydrophobicContact CZ-CG 4.49Å; F586-L651 HydrophobicContact CZ-CD1 4.05Å |
| 587 | K | 92.2 | Very high | 91.9 | Very high | 103 Ų | 103 | 61.1 Ų | 61.1 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.8 | -178 | -179.6 | 171.6 | -171.1 | 0 | 113.2 | M583 Q584 F585 W598 | M583-K587 WeakPolarHBondContact O-CB 3.42Å; M583-K587 PolarHBondContact O-N 3.38Å; Q584-K587 PolarHBondContact O-N 2.78Å; F585-K587 VanDerWaalsContact C-N 3.3Å; F585-K587 PolarHBondContact O-N 2.81Å; K587-W598 HydrophobicContact CB-CD2 4.01Å; K587-W598 HydrophobicContact CB-CE3 4.09Å; K587-W598 HydrophobicContact CB-CH2 3.9Å; K587-W598 HydrophobicContact CB-CZ2 3.79Å; K587-W598 HydrophobicContact CB-CZ3 4.03Å; K587-W598 HydrophobicContact CD-CH2 4.19Å; K587-W598 HydrophobicContact CD-CZ2 3.96Å; K587-W598 HydrophobicContact CG-CH2 4.12Å; K587-W598 HydrophobicContact CG-CZ2 3.63Å |
| 588 | D | 91.2 | Very high | 92.1 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -96.1 | -17.2 | -172.7 | -65 | -11.2 | 0 | 0 | 0 | 113.4 | Q584 F585 | Q584-D588 WeakPolarHBondContact CG-OD2 3.46Å; Q584-D588 PolarHBondContact NE2-OD1 2.69Å; Q584-D588 PolarHBondContact NE2-OD2 2.99Å; Q584-D588 WeakPolarHBondContact O-CB 3.18Å; Q584-D588 PolarHBondContact O-N 3.2Å; F585-D588 PolarHBondContact O-N 3.11Å |
| 589 | S | 92.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 12% | 0.119 | 30% | 0.304 | C | S | . | . | trans | -56.3 | 141.1 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | F585 L591 Y594 E595 | F585-S589 WeakPolarHBondContact O-CB 3.46Å; F585-S589 PolarHBondContact O-N 3.26Å; S589-L591 PolarHBondContact OG-N 3.22Å; S589-Y594 WeakPolarHBondContact OG-CB 3.48Å; S589-Y594 WeakPolarHBondContact OG-CD2 3.1Å; S589-E595 WeakPolarHBondContact O-CG 3.43Å | ||
| 590 | K | 91.6 | Very high | 92.7 | Very high | 164 Ų | 164 | 56.5 Ų | 56.5 | 71% | 0.713 | 30% | 0.297 | S | S | * | . | trans | -105.2 | 3.3 | 174.6 | -57.7 | -57.8 | 177.8 | -169.8 | 0 | 113.1 | ||||
| 591 | L | 92.8 | Very high | 93.1 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -78 | 127.2 | 176.6 | -66.8 | 174.6 | 0 | 0 | 0 | 108.9 | S589 T593 Y594 E595 | S589-L591 PolarHBondContact OG-N 3.22Å; L591-T593 PolarHBondContact O-N 3.45Å; L591-T593 VanDerWaalsContact O-N 3.07Å; L591-Y594 HydrophobicContact CB-CD2 3.83Å; L591-Y594 HydrophobicContact CB-CE2 4.41Å; L591-Y594 HydrophobicContact CB-CG 4.41Å; L591-Y594 HydrophobicContact CD1-CD2 3.74Å; L591-Y594 HydrophobicContact CD1-CE2 3.6Å; L591-Y594 HydrophobicContact CG-CD2 4.36Å; L591-Y594 PolarHBondContact O-N 2.93Å; L591-E595 PolarHBondContact O-N 3.18Å |
| 592 | P | 93.3 | Very high | 93.4 | Very high | 82 Ų | 82 | 61.6 Ų | 61.6 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -52.9 | -37.3 | -173 | -29.5 | 34.6 | 0 | 0 | 0 | 114.2 | K596 | P592-K596 WeakPolarHBondContact O-CB 3.47Å; P592-K596 VanDerWaalsContact O-CG 3.26Å; P592-K596 WeakPolarHBondContact O-CG 3.31Å; P592-K596 PolarHBondContact O-N 3.27Å; P592-K596 VanDerWaalsContact O-N 3.08Å |
| 593 | T | 93.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 177.6 | -47.8 | 0 | 0 | 0 | 0 | 111.4 | E564 I567 L591 K596 M597 | E564-T593 HydrophobicContact CG-CG2 4.3Å; E564-T593 WeakPolarHBondContact OE1-CB 3.21Å; E564-T593 WeakPolarHBondContact OE1-CG2 3.49Å; E564-T593 PolarHBondContact OE1-OG1 3.06Å; I567-T593 HydrophobicContact CD1-CG2 3.97Å; L591-T593 PolarHBondContact O-N 3.45Å; L591-T593 VanDerWaalsContact O-N 3.07Å; T593-K596 PolarHBondContact O-N 3.26Å; T593-M597 WeakPolarHBondContact O-CG 3.32Å; T593-M597 PolarHBondContact O-N 3.46Å |
| 594 | Y | 95.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 64.2 Ų | 64.2 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.4 | -31.9 | -175.9 | -57.9 | -29.4 | 0 | 0 | 0 | 112.4 | A563 F585 F586 S589 L591 M597 W598 L651 | A563-Y594 HydrophobicContact CB-CE1 4.29Å; F585-Y594 AromaticContact CE1-CD2 3.81Å; F585-Y594 HydrophobicContact CE1-CD2 3.81Å; F585-Y594 HydrophobicContact CE1-CE2 4.03Å; F585-Y594 HydrophobicContact CE1-CG 4.14Å; F585-Y594 AromaticContact CZ-CD2 3.57Å; F585-Y594 HydrophobicContact CZ-CD2 3.57Å; F585-Y594 AromaticContact CZ-CE2 3.56Å; F585-Y594 HydrophobicContact CZ-CE2 3.56Å; F585-Y594 HydrophobicContact CZ-CG 4.36Å; F586-Y594 HydrophobicContact CD1-CD1 4.4Å; F586-Y594 HydrophobicContact CD1-CG 4.4Å; F586-Y594 AromaticContact CE1-CD1 3.9Å; F586-Y594 HydrophobicContact CE1-CD1 3.9Å; F586-Y594 HydrophobicContact CE1-CG 4.27Å; S589-Y594 WeakPolarHBondContact OG-CB 3.48Å; S589-Y594 WeakPolarHBondContact OG-CD2 3.1Å; L591-Y594 HydrophobicContact CB-CD2 3.83Å; L591-Y594 HydrophobicContact CB-CE2 4.41Å; L591-Y594 HydrophobicContact CB-CG 4.41Å; L591-Y594 HydrophobicContact CD1-CD2 3.74Å; L591-Y594 HydrophobicContact CD1-CE2 3.6Å; L591-Y594 HydrophobicContact CG-CD2 4.36Å; L591-Y594 PolarHBondContact O-N 2.93Å; Y594-M597 HydrophobicContact CD1-SD 3.93Å; Y594-M597 HydrophobicContact CE1-SD 4.44Å; Y594-M597 PolarHBondContact O-N 3.29Å; Y594-W598 WeakPolarHBondContact O-CB 3.35Å; Y594-W598 PolarHBondContact O-N 3.22Å; Y594-L651 HydrophobicContact CE1-CB 4.48Å; Y594-L651 PolarHBondContact OH-O 3.36Å |
| 595 | E | 94.3 | Very high | 93.2 | Very high | 88 Ų | 88 | 69.3 Ų | 69.3 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 169.5 | -74.1 | -170.9 | 148.9 | 0 | 0 | 111.4 | S589 L591 W598 A599 | S589-E595 WeakPolarHBondContact O-CG 3.43Å; L591-E595 PolarHBondContact O-N 3.18Å; E595-W598 PolarHBondContact O-N 3Å; E595-A599 WeakPolarHBondContact O-CB 3.38Å; E595-A599 PolarHBondContact O-N 3.12Å |
| 596 | K | 94.4 | Very high | 92.9 | Very high | 129 Ų | 129 | 73 Ų | 73 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63 | -43 | 174 | -74.7 | 174.5 | -176.8 | 178.8 | 0 | 111.8 | I567 P592 T593 W598 A599 A600 | I567-K596 HydrophobicContact CD1-CD 4.18Å; I567-K596 HydrophobicContact CG2-CB 4.38Å; P592-K596 WeakPolarHBondContact O-CB 3.47Å; P592-K596 VanDerWaalsContact O-CG 3.26Å; P592-K596 WeakPolarHBondContact O-CG 3.31Å; P592-K596 PolarHBondContact O-N 3.27Å; P592-K596 VanDerWaalsContact O-N 3.08Å; T593-K596 PolarHBondContact O-N 3.26Å; K596-W598 VanDerWaalsContact C-N 3.33Å; K596-W598 PolarHBondContact O-N 3.09Å; K596-A599 PolarHBondContact O-N 3.47Å; K596-A600 WeakPolarHBondContact O-CB 3.49Å; K596-A600 PolarHBondContact O-N 2.94Å |
| 597 | M | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 173.8 | -72.9 | -178.5 | 77.6 | 0 | 0 | 111.3 | A563 L566 I567 Y574 F586 T593 Y594 A600 M601 L628 | A563-M597 HydrophobicContact CB-CE 4.45Å; A563-M597 HydrophobicContact CB-SD 3.85Å; L566-M597 HydrophobicContact CD1-CE 4.26Å; I567-M597 HydrophobicContact CG2-CB 4.42Å; I567-M597 HydrophobicContact CG2-CG 3.35Å; Y574-M597 HydrophobicContact CD2-CE 3.81Å; Y574-M597 HydrophobicContact CE2-CB 3.79Å; Y574-M597 HydrophobicContact CE2-CE 3.83Å; Y574-M597 HydrophobicContact CE2-CG 3.88Å; F586-M597 HydrophobicContact CD1-CB 4.22Å; F586-M597 HydrophobicContact CD1-SD 4.5Å; F586-M597 HydrophobicContact CE1-CB 4.44Å; F586-M597 HydrophobicContact CE1-CE 3.96Å; F586-M597 HydrophobicContact CE1-SD 3.83Å; F586-M597 HydrophobicContact CZ-CE 4.28Å; T593-M597 WeakPolarHBondContact O-CG 3.32Å; T593-M597 PolarHBondContact O-N 3.46Å; Y594-M597 HydrophobicContact CD1-SD 3.93Å; Y594-M597 HydrophobicContact CE1-SD 4.44Å; Y594-M597 PolarHBondContact O-N 3.29Å; M597-A600 PolarHBondContact O-N 3.46Å; M597-M601 HydrophobicContact CB-CE 4.47Å; M597-M601 WeakPolarHBondContact O-CB 2.89Å; M597-M601 VanDerWaalsContact O-CG 3.26Å; M597-M601 WeakPolarHBondContact O-CG 3.4Å; M597-M601 PolarHBondContact O-N 2.74Å; M597-L628 HydrophobicContact CE-CD1 3.72Å; M597-L628 HydrophobicContact CE-CD2 4.2Å |
| 598 | W | 95.8 | Very high | 93 | Very high | 44 Ų | 44 | 72 Ų | 72 | 17% | 0.167 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 177.6 | 174.8 | -113.5 | 0 | 0 | 0 | 112.6 | M583 F586 K587 Y594 E595 K596 A600 M601 K602 F609 | M583-W598 HydrophobicContact CE-CH2 3.76Å; M583-W598 HydrophobicContact CE-CZ3 4.27Å; M583-W598 HydrophobicContact CG-CH2 4.26Å; M583-W598 HydrophobicContact CG-CZ3 3.88Å; F586-W598 HydrophobicContact CB-CB 4.28Å; F586-W598 HydrophobicContact CB-CE3 4.09Å; F586-W598 WeakPolarHBondContact O-CB 3.26Å; K587-W598 HydrophobicContact CB-CD2 4.01Å; K587-W598 HydrophobicContact CB-CE3 4.09Å; K587-W598 HydrophobicContact CB-CH2 3.9Å; K587-W598 HydrophobicContact CB-CZ2 3.79Å; K587-W598 HydrophobicContact CB-CZ3 4.03Å; K587-W598 HydrophobicContact CD-CH2 4.19Å; K587-W598 HydrophobicContact CD-CZ2 3.96Å; K587-W598 HydrophobicContact CG-CH2 4.12Å; K587-W598 HydrophobicContact CG-CZ2 3.63Å; Y594-W598 WeakPolarHBondContact O-CB 3.35Å; Y594-W598 PolarHBondContact O-N 3.22Å; E595-W598 PolarHBondContact O-N 3Å; K596-W598 VanDerWaalsContact C-N 3.33Å; K596-W598 PolarHBondContact O-N 3.09Å; W598-A600 VanDerWaalsContact C-N 3.34Å; W598-A600 PolarHBondContact O-N 3.34Å; W598-M601 HydrophobicContact CE3-CE 4.23Å; W598-M601 PolarHBondContact O-N 3.15Å; W598-K602 HydrophobicContact CZ2-CD 4.47Å; W598-K602 WeakPolarHBondContact O-CB 3.33Å; W598-K602 PolarHBondContact O-N 3.06Å; W598-F609 HydrophobicContact CE3-CZ 4.23Å; W598-F609 HydrophobicContact CH2-CZ 4.26Å; W598-F609 HydrophobicContact CZ3-CE1 4.05Å; W598-F609 AromaticContact CZ3-CZ 3.63Å; W598-F609 HydrophobicContact CZ3-CZ 3.63Å |
| 599 | A | 94.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 68.8 Ų | 68.8 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E595 K596 K602 A603 | E595-A599 WeakPolarHBondContact O-CB 3.38Å; E595-A599 PolarHBondContact O-N 3.12Å; K596-A599 PolarHBondContact O-N 3.47Å; A599-K602 PolarHBondContact O-N 2.87Å; A599-A603 VanDerWaalsContact O-CB 3.24Å; A599-A603 WeakPolarHBondContact O-CB 3.27Å; A599-A603 PolarHBondContact O-N 3.24Å |
| 600 | A | 93.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 68 Ų | 68 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y574 K596 M597 W598 S604 | Y574-A600 VanDerWaalsContact OH-CB 3.27Å; Y574-A600 WeakPolarHBondContact OH-CB 3.15Å; K596-A600 WeakPolarHBondContact O-CB 3.49Å; K596-A600 PolarHBondContact O-N 2.94Å; M597-A600 PolarHBondContact O-N 3.46Å; W598-A600 VanDerWaalsContact C-N 3.34Å; W598-A600 PolarHBondContact O-N 3.34Å; A600-S604 WeakPolarHBondContact O-CB 3.35Å; A600-S604 PolarHBondContact O-N 3.49Å; A600-S604 PolarHBondContact O-OG 3.2Å |
| 601 | M | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 176 | -72.6 | -171 | -70.3 | 0 | 0 | 111.4 | Y574 F586 M597 W598 A603 S604 V608 F609 L628 | Y574-M601 HydrophobicContact CD2-CG 3.64Å; Y574-M601 HydrophobicContact CD2-SD 3.99Å; Y574-M601 HydrophobicContact CE2-CG 3.69Å; Y574-M601 HydrophobicContact CE2-SD 4.39Å; Y574-M601 WeakPolarHBondContact O-CG 3.44Å; F586-M601 HydrophobicContact CB-CE 3.66Å; F586-M601 HydrophobicContact CD1-CE 4.13Å; F586-M601 HydrophobicContact CD2-CE 3.92Å; F586-M601 HydrophobicContact CG-CE 3.63Å; M597-M601 HydrophobicContact CB-CE 4.47Å; M597-M601 WeakPolarHBondContact O-CB 2.89Å; M597-M601 VanDerWaalsContact O-CG 3.26Å; M597-M601 WeakPolarHBondContact O-CG 3.4Å; M597-M601 PolarHBondContact O-N 2.74Å; W598-M601 HydrophobicContact CE3-CE 4.23Å; W598-M601 PolarHBondContact O-N 3.15Å; M601-A603 PolarHBondContact O-N 3.1Å; M601-S604 PolarHBondContact O-N 2.88Å; M601-V608 HydrophobicContact CB-CG2 3.79Å; M601-V608 HydrophobicContact CG-CG2 4.02Å; M601-V608 WeakPolarHBondContact O-CG2 3.4Å; M601-F609 HydrophobicContact CB-CE1 4.35Å; M601-F609 HydrophobicContact CB-CE2 4.19Å; M601-F609 HydrophobicContact CB-CZ 3.69Å; M601-F609 HydrophobicContact SD-CE1 4.27Å; M601-L628 HydrophobicContact CE-CD1 4.35Å; M601-L628 HydrophobicContact SD-CD1 3.85Å |
| 602 | K | 93.6 | Very high | 92.9 | Very high | 152 Ų | 152 | 62.8 Ų | 62.8 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.8 | -36 | -180 | -172 | -179.3 | 177.6 | -173 | 0 | 112.8 | W598 A599 | W598-K602 HydrophobicContact CZ2-CD 4.47Å; W598-K602 WeakPolarHBondContact O-CB 3.33Å; W598-K602 PolarHBondContact O-N 3.06Å; A599-K602 PolarHBondContact O-N 2.87Å |
| 603 | A | 93 | Very high | 92.7 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 65% | 0.653 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -81.8 | -13.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | A599 M601 | A599-A603 VanDerWaalsContact O-CB 3.24Å; A599-A603 WeakPolarHBondContact O-CB 3.27Å; A599-A603 PolarHBondContact O-N 3.24Å; M601-A603 PolarHBondContact O-N 3.1Å |
| 604 | S | 90.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 65.7 Ų | 65.7 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | trans | -72 | 131.6 | -175.6 | -71.2 | 0 | 0 | 0 | 0 | 112.7 | A600 M601 P606 | A600-S604 WeakPolarHBondContact O-CB 3.35Å; A600-S604 PolarHBondContact O-N 3.49Å; A600-S604 PolarHBondContact O-OG 3.2Å; M601-S604 PolarHBondContact O-N 2.88Å; S604-P606 CarbonylContact C-O 3.49Å | ||
| 605 | Q | 87.1 | Confident | 92.4 | Very high | 187 Ų | 187 | 67 Ų | 67 | 87% | 0.874 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -125.1 | 130 | 172.7 | -70.8 | 177.2 | 1.1 | 0 | 0 | 110 | ||
| 606 | P | 88.9 | Confident | 92.4 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 78% | 0.779 | 34% | 0.34 | S | S | * | . | S | Bend | cis | -63.8 | 166.6 | -6 | 30.4 | -36.4 | 0 | 0 | 0 | 112.4 | S604 V608 | S604-P606 CarbonylContact C-O 3.49Å; P606-V608 PolarHBondContact O-N 3.41Å |
| 607 | T | 93.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | trans | -56 | 132.7 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | F609 R619 | T607-F609 VanDerWaalsContact C-N 3.33Å; T607-F609 PolarHBondContact OG1-N 2.92Å; T607-R619 PolarHBondContact O-NH1 2.88Å | ||
| 608 | V | 94.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | trans | -82 | -16.1 | 172.9 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | K573 Y574 M601 P606 Y625 | K573-V608 HydrophobicContact CB-CG1 4.1Å; Y574-V608 VanDerWaalsContact O-CB 3.26Å; Y574-V608 WeakPolarHBondContact O-CB 3.37Å; Y574-V608 VanDerWaalsContact O-CG2 3.26Å; Y574-V608 WeakPolarHBondContact O-CG2 3.22Å; M601-V608 HydrophobicContact CB-CG2 3.79Å; M601-V608 HydrophobicContact CG-CG2 4.02Å; M601-V608 WeakPolarHBondContact O-CG2 3.4Å; P606-V608 PolarHBondContact O-N 3.41Å; V608-Y625 HydrophobicContact CB-CE2 4.24Å; V608-Y625 PolarHBondContact O-OH 3.43Å | ||
| 609 | F | 95.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 9% | 0.088 | 34% | 0.338 | C | S | . | . | trans | -75.3 | 141.6 | 176.9 | -59.4 | -76.5 | 0 | 0 | 0 | 110.9 | S576 N578 M583 W598 M601 T607 | S576-F609 WeakPolarHBondContact O-CA 3.31Å; N578-F609 HydrophobicContact CB-CB 3.89Å; M583-F609 HydrophobicContact CG-CE1 4.16Å; W598-F609 HydrophobicContact CE3-CZ 4.23Å; W598-F609 HydrophobicContact CH2-CZ 4.26Å; W598-F609 HydrophobicContact CZ3-CE1 4.05Å; W598-F609 AromaticContact CZ3-CZ 3.63Å; W598-F609 HydrophobicContact CZ3-CZ 3.63Å; M601-F609 HydrophobicContact CB-CE1 4.35Å; M601-F609 HydrophobicContact CB-CE2 4.19Å; M601-F609 HydrophobicContact CB-CZ 3.69Å; M601-F609 HydrophobicContact SD-CE1 4.27Å; T607-F609 VanDerWaalsContact C-N 3.33Å; T607-F609 PolarHBondContact OG1-N 2.92Å | ||
| 610 | V | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -113.4 | 157.7 | -179.4 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | S576 L577 N578 S612 E615 Y627 | S576-V610 PolarHBondContact O-N 3.01Å; S576-V610 VanDerWaalsContact O-N 3.13Å; L577-V610 CarbonylContact C-O 3.59Å; L577-V610 WeakPolarHBondContact CA-O 3.46Å; L577-V610 HydrophobicContact CD1-CG2 4.38Å; N578-V610 WeakPolarHBondContact CB-O 3.24Å; N578-V610 PolarHBondContact N-O 2.92Å; V610-S612 WeakPolarHBondContact CG2-O 3.28Å; V610-E615 HydrophobicContact CB-CB 4.28Å; V610-E615 HydrophobicContact CB-CG 4.2Å; V610-E615 HydrophobicContact CG1-CG 4.1Å; V610-Y627 HydrophobicContact CG2-CD2 4.27Å; V610-Y627 HydrophobicContact CG2-CE2 3.41Å; V610-Y627 VanDerWaalsContact CG2-CE2 3.41Å |
| 611 | N | 89.8 | Confident | 92.2 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -92.4 | -18.6 | -178.5 | -70.9 | -35.5 | 0 | 0 | 0 | 113.5 | E615 | N611-E615 PolarHBondContact N-OE2 3.29Š|
| 612 | S | 87.7 | Confident | 92 | Very high | 54 Ų | 54 | 67.2 Ų | 67.2 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -143.8 | 154.7 | 176.5 | 69.9 | 0 | 0 | 0 | 0 | 111.9 | V610 R614 E615 G616 | V610-S612 WeakPolarHBondContact CG2-O 3.28Å; S612-R614 VanDerWaalsContact C-N 3.29Å; S612-R614 PolarHBondContact O-N 3Å; S612-E615 WeakPolarHBondContact O-CB 3.38Å; S612-E615 PolarHBondContact O-N 3.05Å; S612-E615 WeakPolarHBondContact OG-CB 3.44Å; S612-E615 PolarHBondContact OG-N 2.87Å; S612-G616 PolarHBondContact O-N 2.68Å |
| 613 | S | 88.2 | Confident | 91.7 | Very high | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 175.8 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | E615 G616 I617 M633 | S613-E615 VanDerWaalsContact C-N 3.34Å; S613-E615 PolarHBondContact O-N 2.84Å; S613-G616 PolarHBondContact O-N 3.44Å; S613-I617 WeakPolarHBondContact O-CD1 3.49Å; S613-I617 VanDerWaalsContact O-CG1 3.26Å; S613-I617 WeakPolarHBondContact O-CG1 3.25Å; S613-I617 PolarHBondContact O-N 3.22Å; S613-M633 PolarHBondContact OG-SD 2.85Å |
| 614 | R | 89.8 | Confident | 91.5 | Very high | 158 Ų | 158 | 61.5 Ų | 61.5 | 60% | 0.596 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | 175.9 | -67.7 | -176.6 | 179.8 | -179.8 | 0.2 | 112.4 | E336 S612 I617 A618 | E336-R614 IonicContact OE1-NH2 3.28Å; E336-R614 PolarHBondContact OE1-NH2 3.14Å; E336-R614 IonicContact OE2-NH2 3.63Å; S612-R614 VanDerWaalsContact C-N 3.29Å; S612-R614 PolarHBondContact O-N 3Å; R614-I617 PolarHBondContact O-N 3.4Å; R614-A618 WeakPolarHBondContact O-CB 3.21Å; R614-A618 PolarHBondContact O-N 2.83Å |
| 615 | E | 93.1 | Very high | 91.7 | Very high | 59 Ų | 59 | 61 Ų | 61 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 173.9 | -175.1 | -165.6 | 165.5 | 0 | 0 | 111.2 | V610 N611 S612 S613 I617 A618 R619 | V610-E615 HydrophobicContact CB-CB 4.28Å; V610-E615 HydrophobicContact CB-CG 4.2Å; V610-E615 HydrophobicContact CG1-CG 4.1Å; N611-E615 PolarHBondContact N-OE2 3.29Å; S612-E615 WeakPolarHBondContact O-CB 3.38Å; S612-E615 PolarHBondContact O-N 3.05Å; S612-E615 WeakPolarHBondContact OG-CB 3.44Å; S612-E615 PolarHBondContact OG-N 2.87Å; S613-E615 VanDerWaalsContact C-N 3.34Å; S613-E615 PolarHBondContact O-N 2.84Å; E615-I617 VanDerWaalsContact C-N 3.35Å; E615-I617 PolarHBondContact O-N 3.19Å; E615-A618 PolarHBondContact O-N 3.3Å; E615-R619 WeakPolarHBondContact O-CG 3.47Å; E615-R619 PolarHBondContact O-N 3.2Å; E615-R619 IonicContact OE1-CZ 3.42Å; E615-R619 IonicContact OE1-NE 3.41Å; E615-R619 PolarHBondContact OE1-NE 2.98Å; E615-R619 IonicContact OE1-NH2 2.7Å; E615-R619 PolarHBondContact OE1-NH2 3.27Å |
| 616 | G | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S612 S613 R619 V620 | S612-G616 PolarHBondContact O-N 2.68Å; S613-G616 PolarHBondContact O-N 3.44Å; G616-R619 PolarHBondContact O-N 3.13Å; G616-V620 WeakPolarHBondContact O-CG2 3.48Å; G616-V620 PolarHBondContact O-N 3.13Å |
| 617 | I | 93.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.9 | -65 | 158.4 | 0 | 0 | 0 | 111.3 | L435 S613 R614 E615 R619 V620 K621 M629 Y637 L644 | L435-I617 HydrophobicContact CD2-CB 4.44Å; L435-I617 HydrophobicContact CD2-CG1 3.69Å; S613-I617 WeakPolarHBondContact O-CD1 3.49Å; S613-I617 VanDerWaalsContact O-CG1 3.26Å; S613-I617 WeakPolarHBondContact O-CG1 3.25Å; S613-I617 PolarHBondContact O-N 3.22Å; R614-I617 PolarHBondContact O-N 3.4Å; E615-I617 VanDerWaalsContact C-N 3.35Å; E615-I617 PolarHBondContact O-N 3.19Å; I617-R619 VanDerWaalsContact C-N 3.32Å; I617-R619 PolarHBondContact O-N 2.95Å; I617-V620 WeakPolarHBondContact O-CB 3.15Å; I617-V620 PolarHBondContact O-N 3.09Å; I617-K621 PolarHBondContact O-N 2.81Å; I617-K621 VanDerWaalsContact O-N 3.08Å; I617-M629 HydrophobicContact CD1-CE 4.42Å; I617-M629 HydrophobicContact CG1-CE 4.05Å; I617-Y637 HydrophobicContact CD1-CD1 3.57Å; I617-Y637 HydrophobicContact CD1-CD2 3.48Å; I617-Y637 VanDerWaalsContact CD1-CD2 3.48Å; I617-Y637 HydrophobicContact CD1-CE1 3.59Å; I617-Y637 HydrophobicContact CD1-CE2 3.53Å; I617-Y637 HydrophobicContact CD1-CG 3.51Å; I617-L644 HydrophobicContact CG2-CD1 3.65Å |
| 618 | A | 94.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R614 E615 K621 Q622 | R614-A618 WeakPolarHBondContact O-CB 3.21Å; R614-A618 PolarHBondContact O-N 2.83Å; E615-A618 PolarHBondContact O-N 3.3Å; A618-K621 PolarHBondContact O-N 2.81Å; A618-Q622 WeakPolarHBondContact O-CG 3.36Å; A618-Q622 PolarHBondContact O-N 2.93Å |
| 619 | R | 94.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 42.9 Ų | 42.9 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 174.3 | -68.3 | -172 | -170.3 | -163.4 | 6.5 | 112.1 | T607 E615 G616 I617 K621 Q622 G623 Y625 | T607-R619 PolarHBondContact O-NH1 2.88Å; E615-R619 WeakPolarHBondContact O-CG 3.47Å; E615-R619 PolarHBondContact O-N 3.2Å; E615-R619 IonicContact OE1-CZ 3.42Å; E615-R619 IonicContact OE1-NE 3.41Å; E615-R619 PolarHBondContact OE1-NE 2.98Å; E615-R619 IonicContact OE1-NH2 2.7Å; E615-R619 PolarHBondContact OE1-NH2 3.27Å; G616-R619 PolarHBondContact O-N 3.13Å; I617-R619 VanDerWaalsContact C-N 3.32Å; I617-R619 PolarHBondContact O-N 2.95Å; R619-K621 VanDerWaalsContact C-N 3.3Å; R619-K621 PolarHBondContact O-N 2.92Å; R619-Q622 WeakPolarHBondContact O-CB 3.48Å; R619-Q622 PolarHBondContact O-N 2.74Å; R619-G623 PolarHBondContact O-N 3.32Å; R619-Y625 HydrophobicContact CB-CD1 3.44Å; R619-Y625 VanDerWaalsContact CB-CD1 3.44Å; R619-Y625 HydrophobicContact CB-CE1 3.85Å; R619-Y625 HydrophobicContact CB-CG 4.05Å |
| 620 | V | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -43.9 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L435 K437 G616 I617 Q622 G623 Y625 Y627 L644 | L435-V620 HydrophobicContact CD2-CG2 4.29Å; L435-V620 HydrophobicContact CG-CG1 4.45Å; L435-V620 HydrophobicContact CG-CG2 4.45Å; K437-V620 HydrophobicContact CB-CG1 4.29Å; K437-V620 VanDerWaalsContact N-CG1 3.27Å; G616-V620 WeakPolarHBondContact O-CG2 3.48Å; G616-V620 PolarHBondContact O-N 3.13Å; I617-V620 WeakPolarHBondContact O-CB 3.15Å; I617-V620 PolarHBondContact O-N 3.09Å; V620-Q622 VanDerWaalsContact C-N 3.31Å; V620-Q622 PolarHBondContact O-N 3.4Å; V620-G623 WeakPolarHBondContact O-CA 3.42Å; V620-G623 PolarHBondContact O-N 2.89Å; V620-Y625 HydrophobicContact CG2-CD1 3.88Å; V620-Y625 HydrophobicContact CG2-CE1 4.36Å; V620-Y627 VanDerWaalsContact CG2-CB 3.45Å; V620-L644 HydrophobicContact CB-CD2 4.38Å; V620-L644 HydrophobicContact CG1-CD2 3.74Å |
| 621 | K | 91.6 | Very high | 92.5 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 34% | 0.335 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -31.8 | 178.6 | -71.4 | -178.2 | 172.3 | -169.8 | 0 | 114.2 | K437 I617 A618 R619 G623 D641 L644 | K437-K621 WeakPolarHBondContact CD-O 3Å; K437-K621 WeakPolarHBondContact CE-O 3.19Å; K437-K621 PolarHBondContact NZ-O 3.08Å; I617-K621 PolarHBondContact O-N 2.81Å; I617-K621 VanDerWaalsContact O-N 3.08Å; A618-K621 PolarHBondContact O-N 2.81Å; R619-K621 VanDerWaalsContact C-N 3.3Å; R619-K621 PolarHBondContact O-N 2.92Å; K621-G623 PolarHBondContact O-N 2.83Å; K621-D641 WeakPolarHBondContact CE-OD1 3.34Å; K621-D641 WeakPolarHBondContact CE-OD2 3.47Å; K621-D641 IonicContact NZ-OD1 3.18Å; K621-D641 IonicContact NZ-OD2 3.11Å; K621-D641 PolarHBondContact NZ-OD2 3.05Å; K621-L644 HydrophobicContact CG-CD2 4.02Å |
| 622 | Q | 91.3 | Very high | 92.7 | Very high | 161 Ų | 161 | 38.1 Ų | 38.1 | 75% | 0.752 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -65.4 | -22.2 | 173.5 | -67.9 | 172.2 | 1.9 | 0 | 0 | 111.6 | A618 R619 V620 | A618-Q622 WeakPolarHBondContact O-CG 3.36Å; A618-Q622 PolarHBondContact O-N 2.93Å; R619-Q622 WeakPolarHBondContact O-CB 3.48Å; R619-Q622 PolarHBondContact O-N 2.74Å; V620-Q622 VanDerWaalsContact C-N 3.31Å; V620-Q622 PolarHBondContact O-N 3.4Å |
| 623 | G | 88.2 | Confident | 92.8 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 22% | 0.216 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 94.4 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R619 V620 K621 Y625 | R619-G623 PolarHBondContact O-N 3.32Å; V620-G623 WeakPolarHBondContact O-CA 3.42Å; V620-G623 PolarHBondContact O-N 2.89Å; K621-G623 PolarHBondContact O-N 2.83Å; G623-Y625 PolarHBondContact O-N 2.87Å |
| 624 | N | 89 | Confident | 93 | Very high | 89 Ų | 89 | 35.6 Ų | 35.6 | 48% | 0.476 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 53 | 19.1 | -177.9 | -58.4 | -40.5 | 0 | 0 | 0 | 115.2 | I572 K573 | I572-N624 WeakPolarHBondContact CA-O 3.36Å; K573-N624 PolarHBondContact N-O 2.98Å |
| 625 | Y | 94.6 | Very high | 93 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.3 | 176.7 | -178.1 | -106 | 0 | 0 | 0 | 110.1 | Y436 K573 G575 V608 R619 V620 G623 Y627 | Y436-Y625 WeakPolarHBondContact CD2-O 3.43Å; Y436-Y625 WeakPolarHBondContact CE2-O 3.36Å; K573-Y625 HydrophobicContact CB-CD2 4.08Å; K573-Y625 CarbonylContact O-C 3.4Å; K573-Y625 VanDerWaalsContact O-CA 3.25Å; K573-Y625 WeakPolarHBondContact O-CA 3.33Å; G575-Y625 VanDerWaalsContact CA-OH 3.3Å; G575-Y625 WeakPolarHBondContact CA-OH 3.17Å; G575-Y625 PolarHBondContact N-OH 2.52Å; G575-Y625 PolarHBondContact O-OH 2.86Å; V608-Y625 HydrophobicContact CB-CE2 4.24Å; V608-Y625 PolarHBondContact O-OH 3.43Å; R619-Y625 HydrophobicContact CB-CD1 3.44Å; R619-Y625 VanDerWaalsContact CB-CD1 3.44Å; R619-Y625 HydrophobicContact CB-CE1 3.85Å; R619-Y625 HydrophobicContact CB-CG 4.05Å; V620-Y625 HydrophobicContact CG2-CD1 3.88Å; V620-Y625 HydrophobicContact CG2-CE1 4.36Å; G623-Y625 PolarHBondContact O-N 2.87Å; Y625-Y627 HydrophobicContact CE1-CD2 4.22Å; Y625-Y627 HydrophobicContact CE1-CG 4.31Å |
| 626 | A | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | I434 Y436 L566 I572 K573 Y574 G575 | I434-A626 HydrophobicContact CG2-CB 3.76Å; Y436-A626 HydrophobicContact CD2-CB 3.79Å; Y436-A626 HydrophobicContact CE2-CB 4.31Å; L566-A626 HydrophobicContact CD1-CB 4.43Å; L566-A626 HydrophobicContact CD2-CB 4.19Å; I572-A626 HydrophobicContact CG2-CB 4.18Å; K573-A626 PolarHBondContact O-N 3.22Å; Y574-A626 WeakPolarHBondContact CA-O 3.34Å; Y574-A626 WeakPolarHBondContact CB-O 3.26Å; G575-A626 PolarHBondContact N-O 3.24Å |
| 627 | Y | 96.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.4 | -175.9 | -173.6 | -143 | 0 | 0 | 0 | 110.6 | L435 G575 V610 V620 Y625 M629 | L435-Y627 WeakPolarHBondContact CB-O 3.38Å; L435-Y627 HydrophobicContact CD2-CD1 4.37Å; L435-Y627 PolarHBondContact N-O 3.18Å; L435-Y627 PolarHBondContact O-N 3.25Å; G575-Y627 WeakPolarHBondContact O-CD2 3.46Å; V610-Y627 HydrophobicContact CG2-CD2 4.27Å; V610-Y627 HydrophobicContact CG2-CE2 3.41Å; V610-Y627 VanDerWaalsContact CG2-CE2 3.41Å; V620-Y627 VanDerWaalsContact CG2-CB 3.45Å; Y625-Y627 HydrophobicContact CE1-CD2 4.22Å; Y625-Y627 HydrophobicContact CE1-CG 4.31Å; Y627-M629 HydrophobicContact CD1-CE 3.14Å; Y627-M629 HydrophobicContact CE1-CB 4.3Å; Y627-M629 HydrophobicContact CE1-CE 3.21Å; Y627-M629 HydrophobicContact CG-CE 4.27Å |
| 628 | L | 96.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.2 | -179.7 | -53.9 | 173.8 | 0 | 0 | 0 | 108.2 | I432 I434 Y574 G575 T582 F586 M597 M601 | I432-L628 HydrophobicContact CG2-CB 4.35Å; I434-L628 HydrophobicContact CB-CD2 4.47Å; I434-L628 HydrophobicContact CG1-CD2 3.83Å; I434-L628 HydrophobicContact CG2-CD2 4.43Å; Y574-L628 HydrophobicContact CD2-CD1 4.22Å; G575-L628 WeakPolarHBondContact O-CB 3.43Å; G575-L628 PolarHBondContact O-N 2.97Å; T582-L628 HydrophobicContact CG2-CB 4.26Å; F586-L628 HydrophobicContact CD2-CD1 4.27Å; F586-L628 HydrophobicContact CE1-CD1 4.37Å; F586-L628 HydrophobicContact CE2-CB 4.13Å; F586-L628 HydrophobicContact CE2-CD1 3.58Å; F586-L628 HydrophobicContact CE2-CG 4.4Å; F586-L628 HydrophobicContact CZ-CD1 3.65Å; F586-L628 HydrophobicContact CZ-CG 4.49Å; M597-L628 HydrophobicContact CE-CD1 3.72Å; M597-L628 HydrophobicContact CE-CD2 4.2Å; M601-L628 HydrophobicContact CE-CD1 4.35Å; M601-L628 HydrophobicContact SD-CD1 3.85Å |
| 629 | M | 94.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 170 | -178.8 | 68 | 163.7 | 64.2 | 0 | 0 | 111 | I432 S433 L435 I617 Y627 M633 L634 | I432-M629 WeakPolarHBondContact CA-O 3.37Å; S433-M629 PolarHBondContact N-O 2.81Å; S433-M629 PolarHBondContact O-N 2.88Å; S433-M629 VanDerWaalsContact O-N 3.15Å; L435-M629 HydrophobicContact CB-CE 4.34Å; L435-M629 HydrophobicContact CB-CG 4.46Å; L435-M629 HydrophobicContact CD2-CE 3.6Å; L435-M629 HydrophobicContact CD2-SD 4.43Å; I617-M629 HydrophobicContact CD1-CE 4.42Å; I617-M629 HydrophobicContact CG1-CE 4.05Å; Y627-M629 HydrophobicContact CD1-CE 3.14Å; Y627-M629 HydrophobicContact CE1-CB 4.3Å; Y627-M629 HydrophobicContact CE1-CE 3.21Å; Y627-M629 HydrophobicContact CG-CE 4.27Å; M629-M633 HydrophobicContact SD-CB 4.27Å; M629-M633 HydrophobicContact SD-CG 4.22Å; M629-L634 HydrophobicContact CG-CB 3.99Å; M629-L634 HydrophobicContact CG-CD1 4.29Å; M629-L634 HydrophobicContact CG-CG 4.42Å; M629-L634 WeakPolarHBondContact SD-CA 3.24Å; M629-L634 HydrophobicContact SD-CB 3.72Å; M629-L634 HydrophobicContact SD-CG 4.27Å; M629-L634 PolarHBondContact SD-N 3.29Å |
| 630 | E | 94.4 | Very high | 91.8 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 136.7 | 175.1 | -72.7 | 177 | 160.9 | 0 | 0 | 111 | T412 L430 G431 S581 S632 M633 L634 Y656 | T412-E630 WeakPolarHBondContact CG2-OE1 3.38Å; T412-E630 PolarHBondContact OG1-OE1 3.11Å; L430-E630 HydrophobicContact CD1-CB 3.52Å; L430-E630 HydrophobicContact CD1-CG 3.63Å; G431-E630 CarbonylContact O-C 3.52Å; S581-E630 PolarHBondContact OG-OE1 2.75Å; E630-S632 VanDerWaalsContact C-N 3.31Å; E630-S632 PolarHBondContact O-N 2.77Å; E630-M633 WeakPolarHBondContact O-CB 3.44Å; E630-M633 PolarHBondContact O-N 2.69Å; E630-M633 VanDerWaalsContact O-N 3.1Å; E630-L634 PolarHBondContact O-N 3.44Å; E630-Y656 WeakPolarHBondContact OE2-CE1 3.45Å; E630-Y656 VanDerWaalsContact OE2-CZ 3.25Å; E630-Y656 PolarHBondContact OE2-OH 3.31Å |
| 631 | S | 94.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -35.1 | -169.6 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | G431 M633 L634 E635 L650 | G431-S631 PolarHBondContact N-OG 2.74Å; G431-S631 WeakPolarHBondContact O-CB 3.45Å; G431-S631 PolarHBondContact O-N 2.8Å; G431-S631 PolarHBondContact O-OG 3.44Å; S631-M633 VanDerWaalsContact C-N 3.3Å; S631-M633 PolarHBondContact O-N 2.65Å; S631-L634 WeakPolarHBondContact O-CB 2.92Å; S631-L634 PolarHBondContact O-N 3.1Å; S631-L634 VanDerWaalsContact O-N 3.16Å; S631-E635 WeakPolarHBondContact O-CB 3.15Å; S631-E635 VanDerWaalsContact O-CG 3.27Å; S631-E635 WeakPolarHBondContact O-CG 3.3Å; S631-E635 PolarHBondContact O-N 2.93Å; S631-L650 VanDerWaalsContact CB-CD2 3.46Å |
| 632 | S | 92.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.9 | -46.1 | 173.8 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | E630 F636 Y656 W691 | E630-S632 VanDerWaalsContact C-N 3.31Å; E630-S632 PolarHBondContact O-N 2.77Å; S632-F636 PolarHBondContact O-N 2.82Å; S632-Y656 VanDerWaalsContact OG-CE2 3.25Å; S632-Y656 WeakPolarHBondContact OG-CE2 3.26Å; S632-Y656 PolarHBondContact OG-OH 3.28Å; S632-W691 WeakPolarHBondContact O-CZ2 3.4Å; S632-W691 PolarHBondContact O-NE1 3.45Å |
| 633 | M | 90.6 | Very high | 90.9 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.059 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.7 | -38.5 | 177.2 | -171.7 | 175.4 | -69.5 | 0 | 0 | 111 | E335 S613 M629 E630 S631 F636 Y637 | E335-M633 HydrophobicContact CG-CE 3.34Å; S613-M633 PolarHBondContact OG-SD 2.85Å; M629-M633 HydrophobicContact SD-CB 4.27Å; M629-M633 HydrophobicContact SD-CG 4.22Å; E630-M633 WeakPolarHBondContact O-CB 3.44Å; E630-M633 PolarHBondContact O-N 2.69Å; E630-M633 VanDerWaalsContact O-N 3.1Å; S631-M633 VanDerWaalsContact C-N 3.3Å; S631-M633 PolarHBondContact O-N 2.65Å; M633-F636 WeakPolarHBondContact O-CB 3.42Å; M633-F636 PolarHBondContact O-N 3.28Å; M633-Y637 HydrophobicContact CG-CD2 3.92Å; M633-Y637 HydrophobicContact CG-CE2 3.57Å; M633-Y637 WeakPolarHBondContact O-CD2 3.11Å; M633-Y637 PolarHBondContact O-N 2.9Å; M633-Y637 HydrophobicContact SD-CE2 4.21Å |
| 634 | L | 91.5 | Very high | 91 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.8 | -52.5 | 176.3 | -167.4 | 159 | 0 | 0 | 0 | 111.5 | L435 M629 E630 S631 F636 Y637 V638 Q646 | L435-L634 HydrophobicContact CB-CD1 3.83Å; L435-L634 HydrophobicContact CB-CG 4.08Å; L435-L634 HydrophobicContact CD1-CD1 4.37Å; L435-L634 HydrophobicContact CD1-CD2 4.15Å; L435-L634 HydrophobicContact CD1-CG 3.78Å; M629-L634 HydrophobicContact CG-CB 3.99Å; M629-L634 HydrophobicContact CG-CD1 4.29Å; M629-L634 HydrophobicContact CG-CG 4.42Å; M629-L634 WeakPolarHBondContact SD-CA 3.24Å; M629-L634 HydrophobicContact SD-CB 3.72Å; M629-L634 HydrophobicContact SD-CG 4.27Å; M629-L634 PolarHBondContact SD-N 3.29Å; E630-L634 PolarHBondContact O-N 3.44Å; S631-L634 WeakPolarHBondContact O-CB 2.92Å; S631-L634 PolarHBondContact O-N 3.1Å; S631-L634 VanDerWaalsContact O-N 3.16Å; L634-F636 PolarHBondContact O-N 3.27Å; L634-Y637 PolarHBondContact O-N 2.75Å; L634-Y637 VanDerWaalsContact O-N 3.11Å; L634-V638 HydrophobicContact CD2-CG2 3.58Å; L634-V638 WeakPolarHBondContact O-CG2 3.22Å; L634-V638 PolarHBondContact O-N 2.62Å; L634-Q646 HydrophobicContact CD1-CB 4.45Å; L634-Q646 HydrophobicContact CD1-CG 4.05Å; L634-Q646 HydrophobicContact CD2-CB 3.59Å; L634-Q646 HydrophobicContact CD2-CG 3.93Å |
| 635 | E | 90.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 23 Ų | 23 | 31% | 0.308 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -54.1 | -38.5 | 178.4 | -73.9 | 169 | -155.7 | 0 | 0 | 111.6 | S631 E639 K687 | S631-E635 WeakPolarHBondContact O-CB 3.15Å; S631-E635 VanDerWaalsContact O-CG 3.27Å; S631-E635 WeakPolarHBondContact O-CG 3.3Å; S631-E635 PolarHBondContact O-N 2.93Å; E635-E639 PolarHBondContact O-N 3.15Å; E635-K687 IonicContact OE1-NZ 2.98Å; E635-K687 VanDerWaalsContact OE2-CE 3.24Å; E635-K687 WeakPolarHBondContact OE2-CE 3.3Å; E635-K687 IonicContact OE2-NZ 2.8Å; E635-K687 PolarHBondContact OE2-NZ 3.23Å |
| 636 | F | 91 | Very high | 90.9 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 179.5 | 174.5 | -104.5 | 0 | 0 | 0 | 112.7 | E336 P337 S632 M633 L634 R640 W691 | E336-F636 HydrophobicContact CB-CE1 4.03Å; E336-F636 HydrophobicContact CB-CZ 4.2Å; P337-F636 HydrophobicContact CB-CD2 3.81Å; P337-F636 HydrophobicContact CB-CE2 3.38Å; P337-F636 HydrophobicContact CB-CZ 3.9Å; P337-F636 HydrophobicContact CG-CD2 3.41Å; P337-F636 VanDerWaalsContact CG-CD2 3.41Å; P337-F636 HydrophobicContact CG-CE2 3.57Å; P337-F636 HydrophobicContact CG-CG 3.99Å; P337-F636 HydrophobicContact CG-CZ 4.29Å; S632-F636 PolarHBondContact O-N 2.82Å; M633-F636 WeakPolarHBondContact O-CB 3.42Å; M633-F636 PolarHBondContact O-N 3.28Å; L634-F636 PolarHBondContact O-N 3.27Å; F636-R640 VanDerWaalsContact CE2-NH2 3.35Å; F636-R640 VanDerWaalsContact CZ-CZ 3.4Å; F636-R640 VanDerWaalsContact CZ-NE 3.34Å; F636-R640 PolarHBondContact O-NH1 3.35Å; F636-W691 HydrophobicContact CB-CZ2 4.38Å |
| 637 | Y | 89.8 | Confident | 90.5 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -78.2 | -35.2 | -178.5 | -74.5 | -69.2 | 0 | 0 | 0 | 112.5 | I617 M633 L634 E639 R640 D641 | I617-Y637 HydrophobicContact CD1-CD1 3.57Å; I617-Y637 HydrophobicContact CD1-CD2 3.48Å; I617-Y637 VanDerWaalsContact CD1-CD2 3.48Å; I617-Y637 HydrophobicContact CD1-CE1 3.59Å; I617-Y637 HydrophobicContact CD1-CE2 3.53Å; I617-Y637 HydrophobicContact CD1-CG 3.51Å; M633-Y637 HydrophobicContact CG-CD2 3.92Å; M633-Y637 HydrophobicContact CG-CE2 3.57Å; M633-Y637 WeakPolarHBondContact O-CD2 3.11Å; M633-Y637 PolarHBondContact O-N 2.9Å; M633-Y637 HydrophobicContact SD-CE2 4.21Å; L634-Y637 PolarHBondContact O-N 2.75Å; L634-Y637 VanDerWaalsContact O-N 3.11Å; Y637-E639 VanDerWaalsContact C-N 3.3Å; Y637-E639 PolarHBondContact O-N 2.93Å; Y637-R640 PolarHBondContact O-N 3.19Å; Y637-R640 VanDerWaalsContact O-N 3.16Å; Y637-D641 WeakPolarHBondContact O-CB 3.41Å; Y637-D641 PolarHBondContact O-N 2.86Å |
| 638 | V | 89.1 | Confident | 90 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 21% | 0.206 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 176 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | L435 L634 R640 D641 L644 | L435-V638 HydrophobicContact CD1-CG2 3.93Å; L634-V638 HydrophobicContact CD2-CG2 3.58Å; L634-V638 WeakPolarHBondContact O-CG2 3.22Å; L634-V638 PolarHBondContact O-N 2.62Å; V638-R640 PolarHBondContact O-N 3.17Å; V638-D641 PolarHBondContact O-N 2.91Å; V638-L644 HydrophobicContact CG2-CB 4.14Å |
| 639 | E | 85.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 29.6 Ų | 29.6 | 25% | 0.248 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.7 | 178.1 | -150.9 | 75.3 | 169.4 | 0 | 0 | 113.3 | E635 Y637 K692 A697 K698 C699 | E635-E639 PolarHBondContact O-N 3.15Å; Y637-E639 VanDerWaalsContact C-N 3.3Å; Y637-E639 PolarHBondContact O-N 2.93Å; E639-K692 HydrophobicContact CG-CG 4.5Å; E639-A697 HydrophobicContact CG-CB 4Å; E639-K698 PolarHBondContact O-N 3.44Å; E639-C699 PolarHBondContact O-N 3.26Å; E639-C699 VanDerWaalsContact O-N 3.15Å |
| 640 | R | 86.6 | Confident | 89.5 | Confident | 37 Ų | 37 | 33.6 Ų | 33.6 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -20.3 | -178 | -70.7 | 174.9 | 164.8 | 60.2 | 6 | 113.1 | F636 Y637 V638 W691 D696 | F636-R640 VanDerWaalsContact CE2-NH2 3.35Å; F636-R640 VanDerWaalsContact CZ-CZ 3.4Å; F636-R640 VanDerWaalsContact CZ-NE 3.34Å; F636-R640 PolarHBondContact O-NH1 3.35Å; Y637-R640 PolarHBondContact O-N 3.19Å; Y637-R640 VanDerWaalsContact O-N 3.16Å; V638-R640 PolarHBondContact O-N 3.17Å; R640-W691 PolarHBondContact NH1-O 3.05Å; R640-D696 IonicContact NE-OD2 3.99Å; R640-D696 IonicContact NH2-OD2 3.89Å; R640-D696 PolarHBondContact NH2-OD2 3.3Å |
| 641 | D | 87.6 | Confident | 89.4 | Confident | 36 Ų | 36 | 34 Ų | 34 | 19% | 0.193 | 20% | 0.197 | C | C | . | . | trans | -137.6 | 98 | -167.6 | -152.7 | -51.6 | 0 | 0 | 0 | 111.4 | K621 Y637 V638 D643 L644 C699 | K621-D641 WeakPolarHBondContact CE-OD1 3.34Å; K621-D641 WeakPolarHBondContact CE-OD2 3.47Å; K621-D641 IonicContact NZ-OD1 3.18Å; K621-D641 IonicContact NZ-OD2 3.11Å; K621-D641 PolarHBondContact NZ-OD2 3.05Å; Y637-D641 WeakPolarHBondContact O-CB 3.41Å; Y637-D641 PolarHBondContact O-N 2.86Å; V638-D641 PolarHBondContact O-N 2.91Å; D641-D643 PolarHBondContact O-N 3.45Å; D641-D643 VanDerWaalsContact O-N 3.14Å; D641-L644 HydrophobicContact CB-CB 4.48Å; D641-L644 HydrophobicContact CB-CD1 3.72Å; D641-L644 HydrophobicContact CB-CG 3.97Å; D641-L644 WeakPolarHBondContact O-CB 3.44Å; D641-L644 PolarHBondContact O-N 3.42Å; D641-C699 VanDerWaalsContact C-SG 3.58Å | ||
| 642 | C | 84.9 | Confident | 89.3 | Confident | 42 Ų | 42 | 35.1 Ų | 35.1 | 28% | 0.284 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.4 | -167 | -40.1 | 0 | 0 | 0 | 0 | 112.8 | K438 C699 | K438-C642 VanDerWaalsContact CD-O 3.29Å; K438-C642 WeakPolarHBondContact CD-O 3.38Å; C642-C699 WeakPolarHBondContact CA-SG 3.16Å; C642-C699 HydrophobicContact CB-CB 4.13Å; C642-C699 WeakPolarHBondContact CB-SG 3.31Å; C642-C699 PolarHBondContact N-SG 3.46Å; C642-C699 WeakPolarHBondContact SG-CA 3.17Å; C642-C699 WeakPolarHBondContact SG-CB 3.42Å; C642-C699 CovalentContact SG-SG 2.04Å; C642-C699 PolarHBondContact SG-SG 3.25Å |
| 643 | D | 87.4 | Confident | 89.2 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.8 | 170.3 | -72.4 | -16.8 | 0 | 0 | 0 | 112.3 | K437 K438 D641 | K437-D643 CarbonylContact C-O 3.53Å; K437-D643 WeakPolarHBondContact CA-O 3.23Å; K438-D643 WeakPolarHBondContact CB-O 3.16Å; K438-D643 PolarHBondContact N-O 2.85Å; D641-D643 PolarHBondContact O-N 3.45Å; D641-D643 VanDerWaalsContact O-N 3.14Å |
| 644 | L | 90.8 | Very high | 89.2 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 151.4 | -179.2 | -59.9 | -179.6 | 0 | 0 | 0 | 111.3 | L435 I617 V620 K621 V638 D641 | L435-L644 HydrophobicContact CD1-CB 4.01Å; L435-L644 HydrophobicContact CD1-CD1 4.21Å; L435-L644 HydrophobicContact CD1-CG 4.49Å; L435-L644 HydrophobicContact CD2-CD1 4.33Å; I617-L644 HydrophobicContact CG2-CD1 3.65Å; V620-L644 HydrophobicContact CB-CD2 4.38Å; V620-L644 HydrophobicContact CG1-CD2 3.74Å; K621-L644 HydrophobicContact CG-CD2 4.02Å; V638-L644 HydrophobicContact CG2-CB 4.14Å; D641-L644 HydrophobicContact CB-CB 4.48Å; D641-L644 HydrophobicContact CB-CD1 3.72Å; D641-L644 HydrophobicContact CB-CG 3.97Å; D641-L644 WeakPolarHBondContact O-CB 3.44Å; D641-L644 PolarHBondContact O-N 3.42Å |
| 645 | T | 90.2 | Very high | 89.3 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 157.7 | 176.7 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | Y436 K438 F558 I647 | Y436-T645 PolarHBondContact N-O 2.78Å; Y436-T645 PolarHBondContact O-N 2.95Å; K438-T645 HydrophobicContact CB-CG2 4.31Å; F558-T645 HydrophobicContact CE1-CG2 3.75Å; F558-T645 HydrophobicContact CZ-CG2 4.48Å; T645-I647 HydrophobicContact CG2-CG1 4.37Å |
| 646 | Q | 89.8 | Confident | 89.6 | Confident | 64 Ų | 64 | 38.3 Ų | 38.3 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 136.3 | 172.5 | -171.2 | 177.2 | -45.6 | 0 | 0 | 110 | S433 L634 G648 | S433-Q646 WeakPolarHBondContact OG-CG 3.43Å; S433-Q646 PolarHBondContact OG-NE2 2.76Å; L634-Q646 HydrophobicContact CD1-CB 4.45Å; L634-Q646 HydrophobicContact CD1-CG 4.05Å; L634-Q646 HydrophobicContact CD2-CB 3.59Å; L634-Q646 HydrophobicContact CD2-CG 3.93Å; Q646-G648 PolarHBondContact NE2-O 3.07Å |
| 647 | I | 87.3 | Confident | 89.9 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.3 | 173.7 | -61.5 | -166.5 | 0 | 0 | 0 | 110.7 | I434 Y436 F558 I560 T645 | I434-I647 HydrophobicContact CB-CB 4.3Å; I434-I647 HydrophobicContact CG2-CB 4.43Å; I434-I647 PolarHBondContact O-N 2.82Å; Y436-I647 HydrophobicContact CD1-CD1 3.41Å; Y436-I647 VanDerWaalsContact CD1-CD1 3.41Å; Y436-I647 HydrophobicContact CE1-CD1 4.38Å; Y436-I647 HydrophobicContact CG-CD1 3.62Å; F558-I647 HydrophobicContact CD1-CD1 3.9Å; F558-I647 HydrophobicContact CD1-CG1 4.22Å; F558-I647 HydrophobicContact CE1-CD1 4.42Å; F558-I647 HydrophobicContact CE1-CG1 4.39Å; I560-I647 HydrophobicContact CD1-CD1 3.73Å; I560-I647 HydrophobicContact CD1-CG2 4.39Å; I560-I647 HydrophobicContact CG1-CD1 3.6Å; I560-I647 HydrophobicContact CG1-CG2 4.19Å; I560-I647 WeakPolarHBondContact O-CG2 3.47Å; T645-I647 HydrophobicContact CG2-CG1 4.37Å |
| 648 | G | 85.3 | Confident | 90.2 | Very high | 36 Ų | 36 | 37 Ų | 37 | 37% | 0.371 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 72.5 | -177.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S561 Q646 | S561-G648 WeakPolarHBondContact O-CA 3.5Å; S561-G648 PolarHBondContact O-N 2.95Å; Q646-G648 PolarHBondContact NE2-O 3.07Å |
| 649 | G | 88.4 | Confident | 90.6 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 55% | 0.546 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -79.8 | -175.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 650 | L | 92.2 | Very high | 91.1 | Very high | 91 Ų | 91 | 32.8 Ų | 32.8 | 48% | 0.476 | 20% | 0.203 | S | C | . | . | trans | -68.7 | 131.1 | 171.8 | -56.1 | 179.2 | 0 | 0 | 0 | 109.7 | S631 D652 | S631-L650 VanDerWaalsContact CB-CD2 3.46Å; L650-D652 VanDerWaalsContact C-N 3.31Å; L650-D652 WeakPolarHBondContact CB-O 3.38Å | ||
| 651 | L | 91.9 | Very high | 91.3 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -76.8 | -22.1 | -179.9 | -57.1 | -175.5 | 0 | 0 | 0 | 112.5 | I432 I434 A563 F586 Y594 | I432-L651 HydrophobicContact CB-CB 4.3Å; I432-L651 HydrophobicContact CG2-CD1 4.01Å; I432-L651 PolarHBondContact O-N 2.88Å; I434-L651 HydrophobicContact CD1-CD2 4.5Å; I434-L651 HydrophobicContact CG1-CD1 4.23Å; A563-L651 HydrophobicContact CB-CD1 4.29Å; A563-L651 HydrophobicContact CB-CD2 3.7Å; F586-L651 HydrophobicContact CZ-CD1 4.05Å; Y594-L651 HydrophobicContact CE1-CB 4.48Å; Y594-L651 PolarHBondContact OH-O 3.36Å |
| 652 | D | 92.2 | Very high | 91.2 | Very high | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -149.4 | 177.5 | 175.2 | 69 | -8.7 | 0 | 0 | 0 | 110.9 | G431 I432 F585 L650 K654 | G431-D652 WeakPolarHBondContact CA-O 3.44Å; G431-D652 VanDerWaalsContact CA-OD1 3.31Å; G431-D652 WeakPolarHBondContact CA-OD1 3.44Å; I432-D652 WeakPolarHBondContact CD1-OD2 3.28Å; I432-D652 PolarHBondContact N-OD1 3.46Å; F585-D652 HydrophobicContact CD2-CB 4.43Å; F585-D652 WeakPolarHBondContact CD2-OD2 3.41Å; F585-D652 HydrophobicContact CE2-CB 3.68Å; F585-D652 HydrophobicContact CZ-CB 3.87Å; L650-D652 VanDerWaalsContact C-N 3.31Å; L650-D652 WeakPolarHBondContact CB-O 3.38Å; D652-K654 WeakPolarHBondContact OD2-CD 3.38Å; D652-K654 WeakPolarHBondContact OD2-CE 3.45Å; D652-K654 IonicContact OD2-NZ 3.69Å; D652-K654 PolarHBondContact OD2-NZ 2.9Å |
| 653 | S | 89.8 | Confident | 90.7 | Very high | 109 Ų | 109 | 35.4 Ų | 35.4 | 76% | 0.762 | 22% | 0.222 | S | C | * | . | trans | -120.2 | 122.2 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 654 | K | 90.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 171 | -175.9 | -79.6 | 171.9 | 167.9 | 151.6 | 0 | 110.4 | T412 L430 I432 D652 | T412-K654 HydrophobicContact CG2-CB 4.21Å; T412-K654 HydrophobicContact CG2-CD 3.84Å; T412-K654 HydrophobicContact CG2-CG 4.23Å; L430-K654 HydrophobicContact CG-CB 4.26Å; L430-K654 PolarHBondContact N-O 3Å; L430-K654 CarbonylContact O-C 3.59Å; L430-K654 WeakPolarHBondContact O-CA 3.34Å; L430-K654 PolarHBondContact O-N 2.72Å; I432-K654 VanDerWaalsContact CD1-NZ 3.32Å; D652-K654 WeakPolarHBondContact OD2-CD 3.38Å; D652-K654 WeakPolarHBondContact OD2-CE 3.45Å; D652-K654 IonicContact OD2-NZ 3.69Å; D652-K654 PolarHBondContact OD2-NZ 2.9Å |
| 655 | G | 94 | Very high | 89.9 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I413 M428 | I413-G655 WeakPolarHBondContact CG1-O 3.35Å; I413-G655 PolarHBondContact N-O 3.31Å; M428-G655 CarbonylContact O-C 3.29Å; M428-G655 WeakPolarHBondContact O-CA 3.33Å |
| 656 | Y | 96.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130.3 | 165.6 | -62.5 | -36.7 | 0 | 0 | 0 | 109.6 | F338 S410 L411 P426 F427 M428 L430 E630 S632 | F338-Y656 AromaticContact CE1-CD2 3.97Å; F338-Y656 HydrophobicContact CE1-CD2 3.97Å; F338-Y656 AromaticContact CE1-CE2 3.67Å; F338-Y656 HydrophobicContact CE1-CE2 3.67Å; F338-Y656 HydrophobicContact CZ-CD2 4.33Å; F338-Y656 AromaticContact CZ-CE2 3.56Å; F338-Y656 HydrophobicContact CZ-CE2 3.56Å; S410-Y656 WeakPolarHBondContact O-CE1 3.28Å; L411-Y656 WeakPolarHBondContact O-CA 3.27Å; P426-Y656 CarbonylContact C-O 3.54Å; P426-Y656 WeakPolarHBondContact CA-O 3.4Å; F427-Y656 WeakPolarHBondContact CD1-O 3.26Å; F427-Y656 HydrophobicContact CE2-CD2 4.32Å; F427-Y656 HydrophobicContact CZ-CD2 4.44Å; F427-Y656 HydrophobicContact CZ-CG 4.31Å; F427-Y656 PolarHBondContact N-O 2.9Å; M428-Y656 HydrophobicContact CB-CD2 4.27Å; M428-Y656 PolarHBondContact O-N 3.44Å; M428-Y656 HydrophobicContact SD-CD2 4.12Å; M428-Y656 HydrophobicContact SD-CE2 4.32Å; L430-Y656 HydrophobicContact CD1-CD1 4.38Å; L430-Y656 HydrophobicContact CD1-CE1 3.7Å; L430-Y656 HydrophobicContact CD1-CE2 4.23Å; L430-Y656 HydrophobicContact CD2-CD1 3.69Å; L430-Y656 HydrophobicContact CD2-CD2 3.66Å; L430-Y656 HydrophobicContact CD2-CE1 3.81Å; L430-Y656 HydrophobicContact CD2-CE2 3.79Å; L430-Y656 HydrophobicContact CD2-CG 3.6Å; L430-Y656 HydrophobicContact CG-CE1 4.45Å; E630-Y656 WeakPolarHBondContact OE2-CE1 3.45Å; E630-Y656 VanDerWaalsContact OE2-CZ 3.25Å; E630-Y656 PolarHBondContact OE2-OH 3.31Å; S632-Y656 VanDerWaalsContact OG-CE2 3.25Å; S632-Y656 WeakPolarHBondContact OG-CE2 3.26Å; S632-Y656 PolarHBondContact OG-OH 3.28Å |
| 657 | G | 96.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -126.9 | 159 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | L411 G659 | L411-G657 PolarHBondContact O-N 3.31Å; G657-G659 PolarHBondContact O-N 2.76Å | ||
| 658 | I | 97.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | trans | -76.3 | 120.6 | 170.6 | -63.9 | 167.7 | 0 | 0 | 0 | 106.9 | I365 I406 V408 F423 S424 F427 L660 I670 V674 | I365-I658 HydrophobicContact CD1-CD1 3.4Å; I406-I658 HydrophobicContact CB-CG2 4.21Å; V408-I658 HydrophobicContact CG1-CG1 4.42Å; V408-I658 HydrophobicContact CG2-CG1 4.26Å; V408-I658 HydrophobicContact CG2-CG2 3.93Å; F423-I658 WeakPolarHBondContact CA-O 3.28Å; S424-I658 PolarHBondContact N-O 3.45Å; S424-I658 WeakPolarHBondContact OG-CB 3.16Å; S424-I658 PolarHBondContact OG-N 2.91Å; F427-I658 HydrophobicContact CD1-CG1 4.15Å; F427-I658 HydrophobicContact CE1-CG1 4.39Å; I658-L660 HydrophobicContact CG2-CD1 4.46Å; I658-L660 VanDerWaalsContact O-CD1 3.22Å; I658-L660 WeakPolarHBondContact O-CD1 3.39Å; I658-I670 HydrophobicContact CB-CG2 4.38Å; I658-I670 HydrophobicContact CD1-CG2 3.64Å; I658-I670 HydrophobicContact CG2-CG2 4.38Å; I658-V674 HydrophobicContact CD1-CG2 3.97Å | ||
| 659 | G | 97.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I406 A407 D422 G657 | I406-G659 CarbonylContact C-O 3.6Å; I406-G659 WeakPolarHBondContact CA-O 3.46Å; A407-G659 PolarHBondContact N-O 3.18Å; A407-G659 PolarHBondContact O-N 2.59Å; D422-G659 CarbonylContact O-C 3.24Å; G657-G659 PolarHBondContact O-N 2.76Å |
| 660 | L | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.5 | 175.3 | -54.9 | 97.4 | 0 | 0 | 0 | 109.2 | I406 I421 D422 I658 R667 I670 | I406-L660 HydrophobicContact CG2-CD2 4.14Å; I406-L660 HydrophobicContact CG2-CG 4.13Å; I421-L660 WeakPolarHBondContact CB-O 3.41Å; D422-L660 PolarHBondContact N-O 3.36Å; D422-L660 PolarHBondContact O-N 2.84Å; I658-L660 HydrophobicContact CG2-CD1 4.46Å; I658-L660 VanDerWaalsContact O-CD1 3.22Å; I658-L660 WeakPolarHBondContact O-CD1 3.39Å; L660-R667 HydrophobicContact CD1-CG 4.39Å; L660-R667 HydrophobicContact CD2-CB 4.32Å; L660-I670 HydrophobicContact CD2-CD1 3.79Å |
| 661 | R | 91.7 | Very high | 90 | Very high | 31 Ų | 31 | 32 Ų | 32 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 145 | 170.1 | -53.2 | -176.4 | 62 | -153.1 | -3.7 | 110.4 | Y148 L399 A404 D405 G663 S664 | Y148-R661 HydrophobicContact CE1-CB 4.04Å; L399-R661 HydrophobicContact CD2-CG 4.25Å; L399-R661 WeakPolarHBondContact O-CG 3.34Å; L399-R661 PolarHBondContact O-NE 3.32Å; A404-R661 WeakPolarHBondContact O-CD 3.47Å; D405-R661 PolarHBondContact O-N 2.9Å; R661-G663 PolarHBondContact O-N 3.02Å; R661-S664 WeakPolarHBondContact O-CB 3.48Å; R661-S664 PolarHBondContact O-N 3.45Å |
| 662 | K | 83.7 | Confident | 89.9 | Confident | 88 Ų | 88 | 36.2 Ų | 36.2 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 132.7 | 179.2 | -161.4 | 71.7 | -177.7 | 162.7 | 0 | 110.8 | S418 I421 D422 S664 | S418-K662 PolarHBondContact O-NZ 2.79Å; I421-K662 PolarHBondContact O-NZ 2.69Å; D422-K662 WeakPolarHBondContact OD1-CD 3.5Å; D422-K662 WeakPolarHBondContact OD1-CE 3.44Å; D422-K662 IonicContact OD1-NZ 3.89Å; D422-K662 PolarHBondContact OD1-NZ 3.27Å; K662-S664 VanDerWaalsContact C-N 3.27Å; K662-S664 PolarHBondContact O-N 2.93Å |
| 663 | G | 75.5 | Confident | 90.1 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 16.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D422 R661 | D422-G663 PolarHBondContact OD2-N 3.06Å; R661-G663 PolarHBondContact O-N 3.02Å |
| 664 | S | 83.4 | Confident | 90.4 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | trans | -57.2 | 127.9 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | Y148 R661 K662 Y666 R667 | Y148-S664 VanDerWaalsContact CE1-CA 3.41Å; Y148-S664 WeakPolarHBondContact OH-CB 3.45Å; Y148-S664 PolarHBondContact OH-OG 3.1Å; R661-S664 WeakPolarHBondContact O-CB 3.48Å; R661-S664 PolarHBondContact O-N 3.45Å; K662-S664 VanDerWaalsContact C-N 3.27Å; K662-S664 PolarHBondContact O-N 2.93Å; S664-Y666 PolarHBondContact O-N 3.2Å; S664-Y666 PolarHBondContact OG-N 3.4Å; S664-R667 PolarHBondContact O-N 3.2Å | ||
| 665 | P | 78.3 | Confident | 90.5 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.3 | 176.8 | 30.8 | -38.4 | 0 | 0 | 0 | 112.2 | P147 | P147-P665 HydrophobicContact CB-CG 3.68Š|
| 666 | Y | 87.1 | Confident | 90.6 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.5 | -175.9 | -50.3 | -45.9 | 0 | 0 | 0 | 113.6 | E321 L323 L328 S664 E668 T669 I670 | E321-Y666 HydrophobicContact CB-CE1 4.07Å; E321-Y666 PolarHBondContact OE2-OH 2.97Å; L323-Y666 HydrophobicContact CD1-CD1 4.36Å; L323-Y666 HydrophobicContact CD2-CD1 3.75Å; L323-Y666 HydrophobicContact CD2-CD2 4.17Å; L323-Y666 HydrophobicContact CD2-CE1 4.23Å; L323-Y666 HydrophobicContact CD2-CG 3.74Å; L323-Y666 HydrophobicContact CG-CD1 3.7Å; L323-Y666 HydrophobicContact CG-CE1 4.28Å; L323-Y666 HydrophobicContact CG-CG 4.1Å; L328-Y666 HydrophobicContact CD2-CD2 4.35Å; L328-Y666 HydrophobicContact CD2-CE2 4.1Å; S664-Y666 PolarHBondContact O-N 3.2Å; S664-Y666 PolarHBondContact OG-N 3.4Å; Y666-E668 VanDerWaalsContact C-N 3.34Å; Y666-E668 PolarHBondContact O-N 2.81Å; Y666-T669 PolarHBondContact O-N 3.4Å; Y666-I670 WeakPolarHBondContact O-CB 3.09Å; Y666-I670 WeakPolarHBondContact O-CG1 3.48Å; Y666-I670 PolarHBondContact O-N 2.86Å |
| 667 | R | 86.5 | Confident | 90.6 | Very high | 99 Ų | 99 | 38 Ų | 38 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -54.9 | -48.7 | -176.6 | -178.9 | -167.7 | 174.3 | -159.7 | -16.4 | 112 | F423 L660 S664 S671 | F423-R667 PolarHBondContact O-NE 3.26Å; F423-R667 VanDerWaalsContact O-NE 3.08Å; L660-R667 HydrophobicContact CD1-CG 4.39Å; L660-R667 HydrophobicContact CD2-CB 4.32Å; S664-R667 PolarHBondContact O-N 3.2Å; R667-S671 VanDerWaalsContact O-CB 3.24Å; R667-S671 WeakPolarHBondContact O-CB 3.28Å; R667-S671 PolarHBondContact O-N 2.83Å; R667-S671 PolarHBondContact O-OG 3.35Å |
| 668 | E | 85.1 | Confident | 90.5 | Very high | 108 Ų | 108 | 40.8 Ų | 40.8 | 51% | 0.505 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.2 | -44.5 | -177.9 | -66.8 | -55.1 | 147.3 | 0 | 0 | 111.3 | Y666 I670 S671 Q672 | Y666-E668 VanDerWaalsContact C-N 3.34Å; Y666-E668 PolarHBondContact O-N 2.81Å; E668-I670 PolarHBondContact O-N 3.01Å; E668-S671 PolarHBondContact O-N 2.92Å; E668-Q672 WeakPolarHBondContact O-CB 3.4Å; E668-Q672 WeakPolarHBondContact O-CG 3.41Å; E668-Q672 PolarHBondContact O-N 3.26Å |
| 669 | T | 88.5 | Confident | 90.3 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 179 | -46.5 | 0 | 0 | 0 | 0 | 112.4 | P320 L323 N369 Y666 Q672 T673 | P320-T669 WeakPolarHBondContact CB-OG1 3.35Å; L323-T669 HydrophobicContact CD1-CG2 3.68Å; N369-T669 VanDerWaalsContact OD1-CG2 3.29Å; N369-T669 WeakPolarHBondContact OD1-CG2 3.38Å; Y666-T669 PolarHBondContact O-N 3.4Å; T669-Q672 PolarHBondContact O-N 2.97Å; T669-T673 PolarHBondContact O-N 3.24Å; T669-T673 PolarHBondContact O-OG1 3.49Å |
| 670 | I | 93.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 175.8 | -71 | 171.9 | 0 | 0 | 0 | 110.1 | L323 I406 I658 L660 Y666 E668 T673 V674 | L323-I670 HydrophobicContact CD1-CG1 4.09Å; I406-I670 HydrophobicContact CG2-CD1 4.21Å; I658-I670 HydrophobicContact CB-CG2 4.38Å; I658-I670 HydrophobicContact CD1-CG2 3.64Å; I658-I670 HydrophobicContact CG2-CG2 4.38Å; L660-I670 HydrophobicContact CD2-CD1 3.79Å; Y666-I670 WeakPolarHBondContact O-CB 3.09Å; Y666-I670 WeakPolarHBondContact O-CG1 3.48Å; Y666-I670 PolarHBondContact O-N 2.86Å; E668-I670 PolarHBondContact O-N 3.01Å; I670-T673 WeakPolarHBondContact O-CB 3.35Å; I670-T673 PolarHBondContact O-N 3.48Å; I670-V674 HydrophobicContact CG2-CG2 4.45Å; I670-V674 WeakPolarHBondContact O-CG2 3.33Å; I670-V674 PolarHBondContact O-N 2.88Å |
| 671 | S | 93.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.2 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | S424 V425 R667 E668 T673 V674 L675 | S424-S671 VanDerWaalsContact CA-OG 3.27Å; S424-S671 WeakPolarHBondContact CA-OG 3.31Å; V425-S671 WeakPolarHBondContact CG2-O 3.47Å; V425-S671 PolarHBondContact N-OG 3.24Å; R667-S671 VanDerWaalsContact O-CB 3.24Å; R667-S671 WeakPolarHBondContact O-CB 3.28Å; R667-S671 PolarHBondContact O-N 2.83Å; R667-S671 PolarHBondContact O-OG 3.35Å; E668-S671 PolarHBondContact O-N 2.92Å; S671-T673 VanDerWaalsContact C-N 3.27Å; S671-T673 PolarHBondContact O-N 3.09Å; S671-V674 PolarHBondContact O-N 2.91Å; S671-L675 WeakPolarHBondContact O-CG 3.42Å; S671-L675 PolarHBondContact O-N 2.78Å |
| 672 | Q | 91 | Very high | 90.5 | Very high | 114 Ų | 114 | 57.6 Ų | 57.6 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 174.7 | -73.1 | 176.6 | -6.1 | 0 | 0 | 111.8 | E668 T669 L675 Y676 | E668-Q672 WeakPolarHBondContact O-CB 3.4Å; E668-Q672 WeakPolarHBondContact O-CG 3.41Å; E668-Q672 PolarHBondContact O-N 3.26Å; T669-Q672 PolarHBondContact O-N 2.97Å; Q672-L675 PolarHBondContact O-N 2.79Å; Q672-Y676 WeakPolarHBondContact O-CB 3.43Å; Q672-Y676 PolarHBondContact O-N 2.76Å |
| 673 | T | 94.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 176.3 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | I365 V368 N369 T669 I670 S671 Y676 L677 | I365-T673 HydrophobicContact CB-CG2 4.3Å; I365-T673 HydrophobicContact CG1-CG2 4.1Å; I365-T673 HydrophobicContact CG2-CG2 4.17Å; V368-T673 HydrophobicContact CB-CG2 3.94Å; V368-T673 HydrophobicContact CG1-CG2 3.94Å; V368-T673 HydrophobicContact CG2-CG2 4.36Å; N369-T673 WeakPolarHBondContact ND2-CG2 3.39Å; N369-T673 PolarHBondContact ND2-OG1 3.13Å; N369-T673 PolarHBondContact OD1-OG1 3.41Å; T669-T673 PolarHBondContact O-N 3.24Å; T669-T673 PolarHBondContact O-OG1 3.49Å; I670-T673 WeakPolarHBondContact O-CB 3.35Å; I670-T673 PolarHBondContact O-N 3.48Å; S671-T673 VanDerWaalsContact C-N 3.27Å; S671-T673 PolarHBondContact O-N 3.09Å; T673-Y676 WeakPolarHBondContact O-CB 3.47Å; T673-Y676 PolarHBondContact O-N 3.15Å; T673-L677 HydrophobicContact CG2-CD1 4.27Å; T673-L677 HydrophobicContact CG2-CG 4.45Å; T673-L677 VanDerWaalsContact O-CG 3.31Å; T673-L677 WeakPolarHBondContact O-CG 3.42Å; T673-L677 PolarHBondContact O-N 3.3Å |
| 674 | V | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I365 V425 F427 I658 I670 S671 Y676 L677 Q678 I683 | I365-V674 HydrophobicContact CD1-CG2 4.08Å; V425-V674 HydrophobicContact CG2-CB 3.93Å; V425-V674 HydrophobicContact CG2-CG1 3.84Å; F427-V674 HydrophobicContact CB-CG1 3.7Å; I658-V674 HydrophobicContact CD1-CG2 3.97Å; I670-V674 HydrophobicContact CG2-CG2 4.45Å; I670-V674 WeakPolarHBondContact O-CG2 3.33Å; I670-V674 PolarHBondContact O-N 2.88Å; S671-V674 PolarHBondContact O-N 2.91Å; V674-Y676 VanDerWaalsContact C-N 3.35Å; V674-Y676 PolarHBondContact O-N 3.32Å; V674-L677 PolarHBondContact O-N 2.89Å; V674-Q678 WeakPolarHBondContact O-CG 3.47Å; V674-Q678 PolarHBondContact O-N 3.09Å; V674-I683 HydrophobicContact CG1-CD1 4.32Å |
| 675 | L | 94 | Very high | 92.6 | Very high | 87 Ų | 87 | 59.1 Ų | 59.1 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.5 | -66.7 | 175.1 | 0 | 0 | 0 | 111.8 | V425 S671 Q672 L677 Q678 E679 | V425-L675 HydrophobicContact CG2-CD2 3.95Å; V425-L675 HydrophobicContact CG2-CG 3.89Å; S671-L675 WeakPolarHBondContact O-CG 3.42Å; S671-L675 PolarHBondContact O-N 2.78Å; Q672-L675 PolarHBondContact O-N 2.79Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 3.36Å; L675-Q678 WeakPolarHBondContact O-CB 3.34Å; L675-Q678 PolarHBondContact O-N 3Å; L675-Q678 VanDerWaalsContact O-N 3.15Å; L675-E679 PolarHBondContact O-N 3.1Å |
| 676 | Y | 95.7 | Very high | 93.4 | Very high | 114 Ų | 114 | 57.9 Ų | 57.9 | 45% | 0.447 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 176.5 | 172.6 | -100.4 | 0 | 0 | 0 | 112.2 | V368 Q672 T673 V674 E679 K680 | V368-Y676 HydrophobicContact CG2-CD1 4.4Å; V368-Y676 HydrophobicContact CG2-CE1 4.18Å; Q672-Y676 WeakPolarHBondContact O-CB 3.43Å; Q672-Y676 PolarHBondContact O-N 2.76Å; T673-Y676 WeakPolarHBondContact O-CB 3.47Å; T673-Y676 PolarHBondContact O-N 3.15Å; V674-Y676 VanDerWaalsContact C-N 3.35Å; V674-Y676 PolarHBondContact O-N 3.32Å; Y676-E679 PolarHBondContact O-N 2.92Å; Y676-K680 HydrophobicContact CE1-CG 4.47Å; Y676-K680 HydrophobicContact CE2-CG 4.15Å; Y676-K680 WeakPolarHBondContact O-CB 3.48Å; Y676-K680 WeakPolarHBondContact O-CG 3.2Å; Y676-K680 PolarHBondContact O-N 3.41Å |
| 677 | L | 97.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.7 | -29.1 | 177.3 | -66.9 | 176.1 | 0 | 0 | 0 | 113.1 | L361 R364 I365 T673 V674 L675 T681 V682 I683 | L361-L677 HydrophobicContact CD1-CD1 3.99Å; R364-L677 HydrophobicContact CB-CD1 3.91Å; R364-L677 HydrophobicContact CB-CD2 4.17Å; I365-L677 HydrophobicContact CG1-CD1 3.67Å; T673-L677 HydrophobicContact CG2-CD1 4.27Å; T673-L677 HydrophobicContact CG2-CG 4.45Å; T673-L677 VanDerWaalsContact O-CG 3.31Å; T673-L677 WeakPolarHBondContact O-CG 3.42Å; T673-L677 PolarHBondContact O-N 3.3Å; V674-L677 PolarHBondContact O-N 2.89Å; L675-L677 VanDerWaalsContact C-N 3.33Å; L675-L677 PolarHBondContact O-N 3.36Å; L677-T681 PolarHBondContact O-N 3.38Å; L677-V682 HydrophobicContact CB-CB 4.43Å; L677-V682 HydrophobicContact CD2-CB 4.15Å; L677-V682 HydrophobicContact CD2-CG1 4.23Å; L677-V682 HydrophobicContact CD2-CG2 4.18Å; L677-V682 PolarHBondContact O-N 3.03Å; L677-I683 HydrophobicContact CB-CD1 3.83Å; L677-I683 HydrophobicContact CB-CG1 4.13Å; L677-I683 PolarHBondContact O-N 2.93Å |
| 678 | Q | 93.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 59.1 Ų | 59.1 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.7 | -47.3 | 172.7 | -73.8 | 178.5 | -29.9 | 0 | 0 | 111.1 | P426 F427 V674 L675 K680 T681 I683 | P426-Q678 PolarHBondContact O-NE2 2.98Å; F427-Q678 PolarHBondContact O-NE2 2.88Å; V674-Q678 WeakPolarHBondContact O-CG 3.47Å; V674-Q678 PolarHBondContact O-N 3.09Å; L675-Q678 WeakPolarHBondContact O-CB 3.34Å; L675-Q678 PolarHBondContact O-N 3Å; L675-Q678 VanDerWaalsContact O-N 3.15Å; Q678-K680 VanDerWaalsContact C-N 3.3Å; Q678-K680 PolarHBondContact O-N 2.98Å; Q678-T681 PolarHBondContact O-N 2.73Å; Q678-I683 HydrophobicContact CB-CD1 4.47Å; Q678-I683 HydrophobicContact CG-CD1 3.48Å; Q678-I683 VanDerWaalsContact CG-CD1 3.48Å |
| 679 | E | 94 | Very high | 94.3 | Very high | 162 Ų | 162 | 58.5 Ų | 58.5 | 76% | 0.757 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 178.3 | -171.8 | -176.1 | 172.8 | 0 | 0 | 111.7 | L675 Y676 T681 | L675-E679 PolarHBondContact O-N 3.1Å; Y676-E679 PolarHBondContact O-N 2.92Å; E679-T681 PolarHBondContact O-N 3.46Å |
| 680 | K | 95.5 | Very high | 94.5 | Very high | 119 Ų | 119 | 58.2 Ų | 58.2 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 6.6 | 174.4 | -69.3 | -66.4 | -176.7 | -173.6 | 0 | 114.4 | Y676 Q678 V682 | Y676-K680 HydrophobicContact CE1-CG 4.47Å; Y676-K680 HydrophobicContact CE2-CG 4.15Å; Y676-K680 WeakPolarHBondContact O-CB 3.48Å; Y676-K680 WeakPolarHBondContact O-CG 3.2Å; Y676-K680 PolarHBondContact O-N 3.41Å; Q678-K680 VanDerWaalsContact C-N 3.3Å; Q678-K680 PolarHBondContact O-N 2.98Å; K680-V682 HydrophobicContact CB-CG2 3.95Å; K680-V682 PolarHBondContact O-N 2.81Å |
| 681 | T | 95 | Very high | 94.3 | Very high | 79 Ų | 79 | 58.5 Ų | 58.5 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 7.7 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 115.8 | L677 Q678 E679 I683 A684 E685 | L677-T681 PolarHBondContact O-N 3.38Å; Q678-T681 PolarHBondContact O-N 2.73Å; E679-T681 PolarHBondContact O-N 3.46Å; T681-I683 VanDerWaalsContact C-N 3.29Å; T681-I683 PolarHBondContact O-N 3.47Å; T681-A684 WeakPolarHBondContact O-CA 3.34Å; T681-A684 WeakPolarHBondContact O-CB 3.43Å; T681-A684 PolarHBondContact O-N 3.26Å; T681-E685 PolarHBondContact O-N 3.49Å |
| 682 | V | 96.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | R364 L677 K680 A684 E685 L686 | R364-V682 HydrophobicContact CG-CG1 4.1Å; L677-V682 HydrophobicContact CB-CB 4.43Å; L677-V682 HydrophobicContact CD2-CB 4.15Å; L677-V682 HydrophobicContact CD2-CG1 4.23Å; L677-V682 HydrophobicContact CD2-CG2 4.18Å; L677-V682 PolarHBondContact O-N 3.03Å; K680-V682 HydrophobicContact CB-CG2 3.95Å; K680-V682 PolarHBondContact O-N 2.81Å; V682-A684 VanDerWaalsContact C-N 3.3Å; V682-A684 PolarHBondContact O-N 3.41Å; V682-E685 PolarHBondContact O-N 3.5Å; V682-L686 HydrophobicContact CG1-CD1 4.4Å; V682-L686 HydrophobicContact CG1-CG 4.48Å; V682-L686 WeakPolarHBondContact O-CG 3.47Å; V682-L686 PolarHBondContact O-N 3.35Å |
| 683 | I | 96.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 177.2 | -77.3 | 162.2 | 0 | 0 | 0 | 111.8 | F357 L361 F427 V674 L677 Q678 T681 K687 | F357-I683 HydrophobicContact CZ-CG2 4.2Å; L361-I683 HydrophobicContact CD1-CD1 4.09Å; L361-I683 HydrophobicContact CD1-CG1 3.82Å; F427-I683 HydrophobicContact CB-CD1 4.33Å; F427-I683 WeakPolarHBondContact O-CG2 3.16Å; V674-I683 HydrophobicContact CG1-CD1 4.32Å; L677-I683 HydrophobicContact CB-CD1 3.83Å; L677-I683 HydrophobicContact CB-CG1 4.13Å; L677-I683 PolarHBondContact O-N 2.93Å; Q678-I683 HydrophobicContact CB-CD1 4.47Å; Q678-I683 HydrophobicContact CG-CD1 3.48Å; Q678-I683 VanDerWaalsContact CG-CD1 3.48Å; T681-I683 VanDerWaalsContact C-N 3.29Å; T681-I683 PolarHBondContact O-N 3.47Å; I683-K687 PolarHBondContact O-N 3.23Å |
| 684 | A | 94.8 | Very high | 92.1 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T681 V682 L686 K687 E688 | T681-A684 WeakPolarHBondContact O-CA 3.34Å; T681-A684 WeakPolarHBondContact O-CB 3.43Å; T681-A684 PolarHBondContact O-N 3.26Å; V682-A684 VanDerWaalsContact C-N 3.3Å; V682-A684 PolarHBondContact O-N 3.41Å; A684-L686 PolarHBondContact O-N 3.05Å; A684-K687 PolarHBondContact O-N 2.7Å; A684-E688 PolarHBondContact O-N 3.34Å |
| 685 | E | 95.5 | Very high | 90.3 | Very high | 107 Ų | 107 | 74.5 Ų | 74.5 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 174 | -68.6 | 177.8 | 179.9 | 0 | 0 | 111.9 | T681 V682 E688 K689 | T681-E685 PolarHBondContact O-N 3.49Å; V682-E685 PolarHBondContact O-N 3.5Å; E685-E688 PolarHBondContact O-N 3.37Å; E685-K689 WeakPolarHBondContact O-CB 3.13Å; E685-K689 PolarHBondContact O-N 3Å |
| 686 | L | 95.5 | Very high | 88.9 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.7 | -70.4 | -179.1 | 0 | 0 | 0 | 111.3 | F357 D360 L361 V682 A684 E688 K689 W690 | F357-L686 HydrophobicContact CD2-CB 3.84Å; F357-L686 HydrophobicContact CE2-CB 3.7Å; D360-L686 HydrophobicContact CB-CD1 4.04Å; D360-L686 HydrophobicContact CB-CD2 3.65Å; D360-L686 HydrophobicContact CB-CG 4.46Å; L361-L686 HydrophobicContact CB-CD1 4.33Å; V682-L686 HydrophobicContact CG1-CD1 4.4Å; V682-L686 HydrophobicContact CG1-CG 4.48Å; V682-L686 WeakPolarHBondContact O-CG 3.47Å; V682-L686 PolarHBondContact O-N 3.35Å; A684-L686 PolarHBondContact O-N 3.05Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 2.84Å; L686-K689 WeakPolarHBondContact O-CB 3.38Å; L686-K689 PolarHBondContact O-N 3.26Å; L686-W690 PolarHBondContact O-N 2.74Å |
| 687 | K | 93.7 | Very high | 87.2 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 176 | -175 | -179.3 | 178.1 | -178.7 | 0 | 110.4 | F357 M428 E635 I683 A684 K689 W690 W691 | F357-K687 HydrophobicContact CE2-CB 4.22Å; M428-K687 HydrophobicContact CE-CD 4.25Å; M428-K687 HydrophobicContact CE-CG 4.33Å; E635-K687 IonicContact OE1-NZ 2.98Å; E635-K687 VanDerWaalsContact OE2-CE 3.24Å; E635-K687 WeakPolarHBondContact OE2-CE 3.3Å; E635-K687 IonicContact OE2-NZ 2.8Å; E635-K687 PolarHBondContact OE2-NZ 3.23Å; I683-K687 PolarHBondContact O-N 3.23Å; A684-K687 PolarHBondContact O-N 2.7Å; K687-K689 PolarHBondContact O-N 3.08Å; K687-W690 PolarHBondContact O-N 2.87Å; K687-W691 HydrophobicContact CG-CD2 4.2Å; K687-W691 HydrophobicContact CG-CE3 4.07Å; K687-W691 HydrophobicContact CG-CG 4.49Å; K687-W691 WeakPolarHBondContact O-CB 3.46Å; K687-W691 PolarHBondContact O-N 3.29Å |
| 688 | E | 91.6 | Very high | 85.8 | Confident | 79 Ų | 79 | 77.4 Ų | 77.4 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 179 | -162.4 | -167.7 | 144 | 0 | 0 | 112.3 | A684 E685 L686 W690 K692 R693 | A684-E688 PolarHBondContact O-N 3.34Å; E685-E688 PolarHBondContact O-N 3.37Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 2.84Å; E688-W690 PolarHBondContact O-N 2.9Å; E688-K692 HydrophobicContact CG-CB 4.5Å; E688-K692 HydrophobicContact CG-CD 4.41Å; E688-K692 PolarHBondContact O-N 3.36Å; E688-R693 HydrophobicContact CG-CG 4.46Å; E688-R693 PolarHBondContact O-N 3.21Å; E688-R693 IonicContact OE1-CZ 3.93Å; E688-R693 VanDerWaalsContact OE1-CZ 3.23Å; E688-R693 IonicContact OE1-NE 2.69Å; E688-R693 PolarHBondContact OE1-NE 3.4Å; E688-R693 IonicContact OE1-NH2 3.11Å; E688-R693 PolarHBondContact OE1-NH2 3.41Å; E688-R693 IonicContact OE2-CZ 3.71Å; E688-R693 IonicContact OE2-NH2 3.04Å; E688-R693 PolarHBondContact OE2-NH2 3.3Å |
| 689 | K | 93 | Very high | 84.6 | Confident | 95 Ų | 95 | 75.5 Ų | 75.5 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | I | π-helix | trans | -54.5 | -50.8 | 174.9 | 177.4 | -172.5 | 173.5 | -170.3 | 0 | 111.6 | D360 E685 L686 K687 R694 | D360-K689 IonicContact OD1-NZ 2.62Å; D360-K689 IonicContact OD2-NZ 3.91Å; D360-K689 PolarHBondContact OD2-NZ 3.07Å; E685-K689 WeakPolarHBondContact O-CB 3.13Å; E685-K689 PolarHBondContact O-N 3Å; L686-K689 WeakPolarHBondContact O-CB 3.38Å; L686-K689 PolarHBondContact O-N 3.26Å; K687-K689 PolarHBondContact O-N 3.08Å; K689-R694 PolarHBondContact O-N 3.5Å |
| 690 | W | 91.8 | Very high | 82.8 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.038 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -82.8 | -33.9 | -172.1 | -73.8 | 105.6 | 0 | 0 | 0 | 113.9 | P337 M340 E355 G356 F357 D360 L686 K687 E688 | P337-W690 HydrophobicContact CB-CB 4.41Å; P337-W690 HydrophobicContact CB-CE3 4.49Å; M340-W690 HydrophobicContact CE-CE3 4Å; M340-W690 HydrophobicContact CE-CH2 4.36Å; M340-W690 HydrophobicContact CE-CZ3 3.51Å; E355-W690 HydrophobicContact CB-CH2 4.06Å; E355-W690 HydrophobicContact CG-CH2 4.34Å; G356-W690 VanDerWaalsContact CA-CZ2 3.43Å; F357-W690 VanDerWaalsContact CA-CD1 3.45Å; F357-W690 HydrophobicContact CB-CB 4.31Å; F357-W690 HydrophobicContact CB-CG 3.98Å; D360-W690 PolarHBondContact OD2-NE1 3.14Å; L686-W690 PolarHBondContact O-N 2.74Å; K687-W690 PolarHBondContact O-N 2.87Å; E688-W690 PolarHBondContact O-N 2.9Å |
| 691 | W | 90.5 | Very high | 80.8 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -83.3 | -44.4 | -179.9 | -87.5 | -116.2 | 0 | 0 | 0 | 112.7 | P337 F338 F357 M428 S632 F636 R640 K687 | P337-W691 HydrophobicContact CB-CZ3 4.48Å; P337-W691 HydrophobicContact CG-CD2 4.17Å; P337-W691 HydrophobicContact CG-CE3 3.82Å; P337-W691 HydrophobicContact CG-CH2 3.28Å; P337-W691 HydrophobicContact CG-CZ2 3.67Å; P337-W691 HydrophobicContact CG-CZ3 3.37Å; F338-W691 HydrophobicContact CD1-CH2 4.28Å; F338-W691 AromaticContact CE1-CH2 3.7Å; F338-W691 HydrophobicContact CE1-CH2 3.7Å; F338-W691 HydrophobicContact CE1-CZ2 4.26Å; F338-W691 HydrophobicContact CE2-CH2 4.34Å; F338-W691 HydrophobicContact CE2-CZ2 4.42Å; F338-W691 AromaticContact CZ-CH2 3.73Å; F338-W691 HydrophobicContact CZ-CH2 3.73Å; F338-W691 AromaticContact CZ-CZ2 3.85Å; F338-W691 HydrophobicContact CZ-CZ2 3.85Å; F357-W691 HydrophobicContact CB-CZ3 3.94Å; F357-W691 HydrophobicContact CD2-CZ3 4.09Å; F357-W691 HydrophobicContact CG-CZ3 4.05Å; M428-W691 HydrophobicContact CE-CH2 4.35Å; S632-W691 WeakPolarHBondContact O-CZ2 3.4Å; S632-W691 PolarHBondContact O-NE1 3.45Å; F636-W691 HydrophobicContact CB-CZ2 4.38Å; R640-W691 PolarHBondContact NH1-O 3.05Å; K687-W691 HydrophobicContact CG-CD2 4.2Å; K687-W691 HydrophobicContact CG-CE3 4.07Å; K687-W691 HydrophobicContact CG-CG 4.49Å; K687-W691 WeakPolarHBondContact O-CB 3.46Å; K687-W691 PolarHBondContact O-N 3.29Å |
| 692 | K | 84.2 | Confident | 78.3 | Confident | 128 Ų | 128 | 70.7 Ų | 70.7 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | I | π-helix | trans | -112.3 | -46 | -167.5 | -61.2 | -173.4 | 174.2 | -178.5 | 0 | 115 | E639 E688 R694 A697 | E639-K692 HydrophobicContact CG-CG 4.5Å; E688-K692 HydrophobicContact CG-CB 4.5Å; E688-K692 HydrophobicContact CG-CD 4.41Å; E688-K692 PolarHBondContact O-N 3.36Å; K692-R694 VanDerWaalsContact C-N 3.34Å; K692-R694 PolarHBondContact O-N 3.37Å; K692-A697 VanDerWaalsContact O-CB 3.31Å; K692-A697 WeakPolarHBondContact O-CB 3.47Å |
| 693 | R | 76.2 | Confident | 76 | Confident | 162 Ų | 162 | 74.4 Ų | 74.4 | 61% | 0.611 | 40% | 0.402 | S | S | * | . | I | π-helix | trans | -77.1 | -15.5 | -169.3 | -62.3 | -176.1 | -175.2 | 169.6 | 2.7 | 114.4 | E688 | E688-R693 HydrophobicContact CG-CG 4.46Å; E688-R693 PolarHBondContact O-N 3.21Å; E688-R693 IonicContact OE1-CZ 3.93Å; E688-R693 VanDerWaalsContact OE1-CZ 3.23Å; E688-R693 IonicContact OE1-NE 2.69Å; E688-R693 PolarHBondContact OE1-NE 3.4Å; E688-R693 IonicContact OE1-NH2 3.11Å; E688-R693 PolarHBondContact OE1-NH2 3.41Å; E688-R693 IonicContact OE2-CZ 3.71Å; E688-R693 IonicContact OE2-NH2 3.04Å; E688-R693 PolarHBondContact OE2-NH2 3.3Å |
| 694 | R | 72.1 | Confident | 73.6 | Confident | 74 Ų | 74 | 77 Ų | 77 | 28% | 0.279 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -69.6 | 139.4 | 177.7 | -129 | -172.9 | -172.6 | -158.2 | 5.9 | 110 | E355 K689 K692 D696 A697 | E355-R694 IonicContact OE1-CZ 2.8Å; E355-R694 IonicContact OE1-NH2 3.7Å; E355-R694 PolarHBondContact OE1-NH2 2.82Å; E355-R694 IonicContact OE2-NH2 3.59Å; E355-R694 PolarHBondContact OE2-NH2 3.43Å; K689-R694 PolarHBondContact O-N 3.5Å; K692-R694 VanDerWaalsContact C-N 3.34Å; K692-R694 PolarHBondContact O-N 3.37Å; R694-D696 WeakPolarHBondContact CD-OD2 3.32Å; R694-D696 IonicContact NH1-OD2 3.92Å; R694-D696 PolarHBondContact O-N 3.34Å; R694-A697 WeakPolarHBondContact O-CB 3.31Å; R694-A697 PolarHBondContact O-N 2.9Å |
| 695 | A | 60 | Low | 70.9 | Confident | 100 Ų | 100 | 82.3 Ų | 82.3 | 83% | 0.826 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -16.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A697 | A695-A697 VanDerWaalsContact C-N 3.29Å; A695-A697 PolarHBondContact O-N 3.29Å |
| 696 | D | 64.1 | Low | 68.1 | Low | 72 Ų | 72 | 80.2 Ų | 80.2 | 39% | 0.385 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.3 | 178 | -17.9 | -46.6 | 0 | 0 | 0 | 113.2 | R640 R694 K698 | R640-D696 IonicContact NE-OD2 3.99Å; R640-D696 IonicContact NH2-OD2 3.89Å; R640-D696 PolarHBondContact NH2-OD2 3.3Å; R694-D696 WeakPolarHBondContact CD-OD2 3.32Å; R694-D696 IonicContact NH1-OD2 3.92Å; R694-D696 PolarHBondContact O-N 3.34Å; D696-K698 PolarHBondContact O-N 3.45Å |
| 697 | A | 58.9 | Low | 65.6 | Low | 28 Ų | 28 | 83.3 Ų | 83.3 | 23% | 0.231 | 49% | 0.487 | C | S | . | . | trans | -69.3 | 100.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E639 K692 R694 A695 | E639-A697 HydrophobicContact CG-CB 4Å; K692-A697 VanDerWaalsContact O-CB 3.31Å; K692-A697 WeakPolarHBondContact O-CB 3.47Å; R694-A697 WeakPolarHBondContact O-CB 3.31Å; R694-A697 PolarHBondContact O-N 2.9Å; A695-A697 VanDerWaalsContact C-N 3.29Å; A695-A697 PolarHBondContact O-N 3.29Å | ||
| 698 | K | 68 | Low | 63.1 | Low | 168 Ų | 168 | 86.1 Ų | 86.1 | 73% | 0.73 | 51% | 0.51 | S | S | * | . | trans | -86 | -28.8 | -176.1 | -64.8 | -178.2 | -177.7 | 177 | 0 | 112.4 | E639 D696 G700 | E639-K698 PolarHBondContact O-N 3.44Å; D696-K698 PolarHBondContact O-N 3.45Å; K698-G700 PolarHBondContact O-N 3.44Å | ||
| 699 | C | 68.6 | Low | 61.1 | Low | 17 Ų | 17 | 87 Ų | 87 | 12% | 0.115 | 53% | 0.53 | C | S | . | . | trans | -91.4 | 93 | -172.8 | -47.4 | 0 | 0 | 0 | 0 | 108.6 | E639 D641 C642 | E639-C699 PolarHBondContact O-N 3.26Å; E639-C699 VanDerWaalsContact O-N 3.15Å; D641-C699 VanDerWaalsContact C-SG 3.58Å; C642-C699 WeakPolarHBondContact CA-SG 3.16Å; C642-C699 HydrophobicContact CB-CB 4.13Å; C642-C699 WeakPolarHBondContact CB-SG 3.31Å; C642-C699 PolarHBondContact N-SG 3.46Å; C642-C699 WeakPolarHBondContact SG-CA 3.17Å; C642-C699 WeakPolarHBondContact SG-CB 3.42Å; C642-C699 CovalentContact SG-SG 2.04Å; C642-C699 PolarHBondContact SG-SG 3.25Å | ||
| 700 | G | 56.5 | Low | 59.2 | Low | 43 Ų | 43 | 85.6 Ų | 85.6 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | trans | -70.6 | 153.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | K698 N702 D703 | K698-G700 PolarHBondContact O-N 3.44Å; G700-N702 PolarHBondContact O-N 2.94Å; G700-D703 PolarHBondContact O-N 3.38Å; G700-D703 VanDerWaalsContact O-N 3.15Å | ||
| 701 | A | 53.3 | Low | 57.5 | Low | 97 Ų | 97 | 93.9 Ų | 93.9 | 80% | 0.802 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -55 | -13.2 | 167 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 702 | N | 43.9 | Very low | 56.1 | Low | 120 Ų | 120 | 99 Ų | 99 | 64% | 0.642 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -77.2 | -9 | 179.3 | -74.7 | -8.9 | 0 | 0 | 0 | 115.2 | G700 G704 K705 | G700-N702 PolarHBondContact O-N 2.94Å; N702-G704 PolarHBondContact O-N 3.14Å; N702-K705 PolarHBondContact O-N 2.84Å |
| 703 | D | 48 | Very low | 55.2 | Low | 104 Ų | 104 | 94.5 Ų | 94.5 | 56% | 0.556 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -64.9 | -9.1 | 171.8 | -81.4 | -10.3 | 0 | 0 | 0 | 112.9 | G700 | G700-D703 PolarHBondContact O-N 3.38Å; G700-D703 VanDerWaalsContact O-N 3.15Å |
| 704 | G | 46 | Very low | 54.9 | Low | 71 Ų | 71 | 93 Ų | 93 | 73% | 0.732 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -107.8 | -0.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N702 | N702-G704 PolarHBondContact O-N 3.14Š|
| 705 | K | 36.7 | Very low | 54.5 | Low | 168 Ų | 168 | 95.3 Ų | 95.3 | 73% | 0.73 | 61% | 0.611 | S | S | * | * | trans | -122.5 | 25.2 | -175.6 | -70.7 | -167.8 | 179.5 | -177.6 | 0 | 114 | N702 G707 | N702-K705 PolarHBondContact O-N 2.84Å; K705-G707 PolarHBondContact O-N 3.48Å | ||
| 706 | G | 38.6 | Very low | 54.9 | Low | 64 Ų | 64 | 92.8 Ų | 92.8 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | trans | -68.2 | 72 | 158 | 0 | 0 | 0 | 0 | 0 | 109.9 | T708 | G706-T708 PolarHBondContact O-N 2.67Š| ||
| 707 | G | 41.9 | Very low | 55.4 | Low | 79 Ų | 79 | 91.5 Ų | 91.5 | 81% | 0.814 | 58% | 0.578 | S | S | * | * | trans | -71.9 | 33.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K705 A709 | K705-G707 PolarHBondContact O-N 3.48Å; G707-A709 PolarHBondContact O-N 3.45Å | ||
| 708 | T | 41.3 | Very low | 56.4 | Low | 122 Ų | 122 | 90.5 Ų | 90.5 | 75% | 0.748 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -81.2 | 110.7 | 159.6 | 50.3 | 0 | 0 | 0 | 0 | 105.5 | G706 A710 | G706-T708 PolarHBondContact O-N 2.67Å; T708-A710 PolarHBondContact O-N 3.43Å |
| 709 | A | 48.6 | Very low | 57.1 | Low | 96 Ų | 96 | 82.6 Ų | 82.6 | 79% | 0.793 | 54% | 0.537 | S | S | * | . | trans | -38.1 | 114.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G707 E711 | G707-A709 PolarHBondContact O-N 3.45Å; A709-E711 PolarHBondContact O-N 2.73Å | ||
| 710 | A | 54.9 | Low | 57.9 | Low | 67 Ų | 67 | 85 Ų | 85 | 55% | 0.554 | 55% | 0.551 | S | S | * | * | trans | -56.2 | 117.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | T708 L712 | T708-A710 PolarHBondContact O-N 3.43Å; A710-L712 PolarHBondContact O-N 2.7Å | ||
| 711 | E | 55.8 | Low | 59.4 | Low | 183 Ų | 183 | 88.1 Ų | 88.1 | 86% | 0.855 | 55% | 0.552 | S | S | * | * | trans | -55.5 | 136.2 | 178 | -65.7 | 179.3 | 171.4 | 0 | 0 | 108.9 | A709 G713 | A709-E711 PolarHBondContact O-N 2.73Å; E711-G713 VanDerWaalsContact C-N 3.34Å; E711-G713 PolarHBondContact O-N 2.87Å | ||
| 712 | L | 60.9 | Low | 61 | Low | 116 Ų | 116 | 86.7 Ų | 86.7 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | trans | -66.9 | 95.2 | 177.6 | -78.6 | 102.5 | 0 | 0 | 0 | 109.5 | L551 A710 V717 | L551-L712 HydrophobicContact CD1-CD2 3.97Å; A710-L712 PolarHBondContact O-N 2.7Å; L712-V717 HydrophobicContact CB-CG2 4.13Å; L712-V717 HydrophobicContact CD2-CG2 3.75Å | ||
| 713 | G | 64.3 | Low | 63.1 | Low | 34 Ų | 34 | 85 Ų | 85 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | trans | -71.7 | 163.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E711 Q715 N716 V717 | E711-G713 VanDerWaalsContact C-N 3.34Å; E711-G713 PolarHBondContact O-N 2.87Å; G713-Q715 PolarHBondContact O-N 3.3Å; G713-N716 PolarHBondContact O-N 3.21Å; G713-V717 PolarHBondContact O-N 2.85Å | ||
| 714 | L | 70 | Confident | 65.1 | Low | 129 Ų | 129 | 84.4 Ų | 84.4 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -54.5 | -26.5 | 175.2 | -176.2 | 65.1 | 0 | 0 | 0 | 112.8 | N716 G718 F721 | L714-N716 VanDerWaalsContact C-N 3.28Å; L714-N716 PolarHBondContact O-N 3.33Å; L714-G718 WeakPolarHBondContact O-CA 3.5Å; L714-G718 PolarHBondContact O-N 3.45Å; L714-F721 HydrophobicContact CD1-CD2 3.91Å; L714-F721 HydrophobicContact CD1-CE2 4.06Å |
| 715 | Q | 65.2 | Low | 67.3 | Low | 123 Ų | 123 | 86 Ų | 86 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -32.8 | 176 | -63.3 | -177.4 | 4.5 | 0 | 0 | 112.4 | G713 | G713-Q715 PolarHBondContact O-N 3.3Å |
| 716 | N | 67.9 | Low | 69.9 | Low | 48 Ų | 48 | 81.3 Ų | 81.3 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -83.8 | -31.7 | -177.5 | -63.2 | 10.8 | 0 | 0 | 0 | 111.7 | P444 G713 L714 | P444-N716 WeakPolarHBondContact CG-OD1 3.32Å; G713-N716 PolarHBondContact O-N 3.21Å; L714-N716 VanDerWaalsContact C-N 3.28Å; L714-N716 PolarHBondContact O-N 3.33Å |
| 717 | V | 74.6 | Confident | 72.5 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 27% | 0.267 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -112.8 | -3.3 | -172.1 | -167.2 | 0 | 0 | 0 | 0 | 112.5 | L712 G713 G719 V720 F721 | L712-V717 HydrophobicContact CB-CG2 4.13Å; L712-V717 HydrophobicContact CD2-CG2 3.75Å; G713-V717 PolarHBondContact O-N 2.85Å; V717-G719 VanDerWaalsContact C-N 3.27Å; V717-G719 PolarHBondContact O-N 3Å; V717-G719 VanDerWaalsContact O-N 3.14Å; V717-V720 HydrophobicContact CG1-CB 3.95Å; V717-V720 HydrophobicContact CG1-CG2 3.88Å; V717-V720 VanDerWaalsContact O-CB 3.3Å; V717-V720 WeakPolarHBondContact O-CB 3.42Å; V717-V720 PolarHBondContact O-N 2.96Å; V717-F721 HydrophobicContact CG1-CE2 4.23Å |
| 718 | G | 79.9 | Confident | 75 | Confident | 7 Ų | 7 | 81.2 Ų | 81.2 | 7% | 0.072 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -55.6 | -36.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L714 V720 F721 V722 | L714-G718 WeakPolarHBondContact O-CA 3.5Å; L714-G718 PolarHBondContact O-N 3.45Å; G718-V720 VanDerWaalsContact C-N 3.28Å; G718-V720 PolarHBondContact O-N 3.26Å; G718-F721 WeakPolarHBondContact O-CB 3.43Å; G718-F721 PolarHBondContact O-N 2.96Å; G718-V722 WeakPolarHBondContact O-CG2 3.37Å; G718-V722 PolarHBondContact O-N 3.16Å; G718-V722 VanDerWaalsContact O-N 3.08Å |
| 719 | G | 82.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 2% | 0.021 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.8 | -28.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L446 V717 F721 V722 V723 | L446-G719 WeakPolarHBondContact O-CA 3.16Å; L446-G719 PolarHBondContact O-N 3.32Å; V717-G719 VanDerWaalsContact C-N 3.27Å; V717-G719 PolarHBondContact O-N 3Å; V717-G719 VanDerWaalsContact O-N 3.14Å; G719-F721 VanDerWaalsContact C-N 3.33Å; G719-V722 PolarHBondContact O-N 3.16Å; G719-V723 WeakPolarHBondContact O-CG2 3.08Å; G719-V723 PolarHBondContact O-N 3.45Å |
| 720 | V | 85.4 | Confident | 79.5 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 42% | 0.418 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 110 | F449 V717 G718 V723 M724 | F449-V720 HydrophobicContact CB-CG2 4.49Å; F449-V720 HydrophobicContact CD1-CG2 4.01Å; F449-V720 HydrophobicContact CD2-CG2 4.44Å; F449-V720 HydrophobicContact CE1-CG2 4.38Å; F449-V720 HydrophobicContact CG-CG2 4.06Å; V717-V720 HydrophobicContact CG1-CB 3.95Å; V717-V720 HydrophobicContact CG1-CG2 3.88Å; V717-V720 VanDerWaalsContact O-CB 3.3Å; V717-V720 WeakPolarHBondContact O-CB 3.42Å; V717-V720 PolarHBondContact O-N 2.96Å; G718-V720 VanDerWaalsContact C-N 3.28Å; G718-V720 PolarHBondContact O-N 3.26Å; V720-V723 PolarHBondContact O-N 2.87Å; V720-M724 PolarHBondContact O-N 2.9Å |
| 721 | F | 87.5 | Confident | 81.3 | Confident | 107 Ų | 107 | 80.2 Ų | 80.2 | 47% | 0.469 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 173.9 | -68.3 | -76.9 | 0 | 0 | 0 | 112.4 | L714 V717 G718 G719 M724 L725 | L714-F721 HydrophobicContact CD1-CD2 3.91Å; L714-F721 HydrophobicContact CD1-CE2 4.06Å; V717-F721 HydrophobicContact CG1-CE2 4.23Å; G718-F721 WeakPolarHBondContact O-CB 3.43Å; G718-F721 PolarHBondContact O-N 2.96Å; G719-F721 VanDerWaalsContact C-N 3.33Å; F721-M724 HydrophobicContact CD1-CE 4.26Å; F721-M724 PolarHBondContact O-N 3.14Å; F721-L725 WeakPolarHBondContact O-CG 3.28Å; F721-L725 PolarHBondContact O-N 3.39Å |
| 722 | V | 87.6 | Confident | 83.1 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 111 | G718 G719 M724 L725 V726 | G718-V722 WeakPolarHBondContact O-CG2 3.37Å; G718-V722 PolarHBondContact O-N 3.16Å; G718-V722 VanDerWaalsContact O-N 3.08Å; G719-V722 PolarHBondContact O-N 3.16Å; V722-M724 VanDerWaalsContact C-N 3.31Å; V722-M724 PolarHBondContact O-N 3.4Å; V722-L725 PolarHBondContact O-N 3.42Å; V722-V726 HydrophobicContact CG1-CG2 4.31Å; V722-V726 WeakPolarHBondContact O-CB 3.43Å; V722-V726 VanDerWaalsContact O-CG2 3.3Å; V722-V726 WeakPolarHBondContact O-CG2 3.32Å; V722-V726 PolarHBondContact O-N 2.86Å |
| 723 | V | 87.8 | Confident | 84.5 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | F449 G719 V720 V726 G727 | F449-V723 HydrophobicContact CZ-CG2 4.05Å; G719-V723 WeakPolarHBondContact O-CG2 3.08Å; G719-V723 PolarHBondContact O-N 3.45Å; V720-V723 PolarHBondContact O-N 2.87Å; V723-V726 PolarHBondContact O-N 2.95Å; V723-G727 PolarHBondContact O-N 2.79Å |
| 724 | M | 89.5 | Confident | 85.7 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 174.9 | -177.5 | -171.8 | 71.6 | 0 | 0 | 111.9 | V720 F721 V722 G727 M728 | V720-M724 PolarHBondContact O-N 2.9Å; F721-M724 HydrophobicContact CD1-CE 4.26Å; F721-M724 PolarHBondContact O-N 3.14Å; V722-M724 VanDerWaalsContact C-N 3.31Å; V722-M724 PolarHBondContact O-N 3.4Å; M724-G727 PolarHBondContact O-N 3.31Å; M724-M728 HydrophobicContact CE-CE 4.37Å; M724-M728 HydrophobicContact CG-CE 3.83Å; M724-M728 WeakPolarHBondContact O-CG 3.45Å; M724-M728 PolarHBondContact O-N 2.91Å; M724-M728 HydrophobicContact SD-CE 4Å |
| 725 | L | 92.2 | Very high | 86.7 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 178.5 | -75.2 | 172.2 | 0 | 0 | 0 | 112 | F721 V722 G727 M728 V729 | F721-L725 WeakPolarHBondContact O-CG 3.28Å; F721-L725 PolarHBondContact O-N 3.39Å; V722-L725 PolarHBondContact O-N 3.42Å; L725-G727 VanDerWaalsContact C-N 3.32Å; L725-G727 PolarHBondContact O-N 2.99Å; L725-M728 PolarHBondContact O-N 3.27Å; L725-V729 WeakPolarHBondContact O-CG2 3.41Å; L725-V729 PolarHBondContact O-N 3.08Å |
| 726 | V | 91.9 | Very high | 87.8 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.1 | 170 | 0 | 0 | 0 | 0 | 110.5 | V722 V723 M728 V729 F730 | V722-V726 HydrophobicContact CG1-CG2 4.31Å; V722-V726 WeakPolarHBondContact O-CB 3.43Å; V722-V726 VanDerWaalsContact O-CG2 3.3Å; V722-V726 WeakPolarHBondContact O-CG2 3.32Å; V722-V726 PolarHBondContact O-N 2.86Å; V723-V726 PolarHBondContact O-N 2.95Å; V726-M728 PolarHBondContact O-N 3.29Å; V726-V729 PolarHBondContact O-N 2.79Å; V726-F730 HydrophobicContact CG1-CD2 3.61Å; V726-F730 HydrophobicContact CG1-CE2 3.38Å; V726-F730 WeakPolarHBondContact O-CD2 3.46Å; V726-F730 PolarHBondContact O-N 3.42Å |
| 727 | G | 92.3 | Very high | 88.7 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V723 M724 L725 F730 A731 | V723-G727 PolarHBondContact O-N 2.79Å; M724-G727 PolarHBondContact O-N 3.31Å; L725-G727 VanDerWaalsContact C-N 3.32Å; L725-G727 PolarHBondContact O-N 2.99Å; G727-F730 PolarHBondContact O-N 2.97Å; G727-A731 WeakPolarHBondContact O-CB 3.48Å; G727-A731 PolarHBondContact O-N 3.1Å |
| 728 | M | 94.1 | Very high | 89.2 | Confident | 101 Ų | 101 | 78.9 Ų | 78.9 | 50% | 0.498 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 175.9 | -71 | 178.3 | 178.5 | 0 | 0 | 112.2 | M724 L725 V726 F730 A731 L732 | M724-M728 HydrophobicContact CE-CE 4.37Å; M724-M728 HydrophobicContact CG-CE 3.83Å; M724-M728 WeakPolarHBondContact O-CG 3.45Å; M724-M728 PolarHBondContact O-N 2.91Å; M724-M728 HydrophobicContact SD-CE 4Å; L725-M728 PolarHBondContact O-N 3.27Å; V726-M728 PolarHBondContact O-N 3.29Å; M728-F730 VanDerWaalsContact C-N 3.34Å; M728-F730 PolarHBondContact O-N 3.04Å; M728-A731 PolarHBondContact O-N 2.94Å; M728-L732 WeakPolarHBondContact O-CG 3.21Å; M728-L732 PolarHBondContact O-N 3.09Å |
| 729 | V | 93.7 | Very high | 89.5 | Confident | 89 Ų | 89 | 85.6 Ų | 85.6 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111 | L725 V726 L732 S733 | L725-V729 WeakPolarHBondContact O-CG2 3.41Å; L725-V729 PolarHBondContact O-N 3.08Å; V726-V729 PolarHBondContact O-N 2.79Å; V729-L732 PolarHBondContact O-N 3.01Å; V729-S733 VanDerWaalsContact O-CB 3.32Å; V729-S733 WeakPolarHBondContact O-CB 3.16Å; V729-S733 PolarHBondContact O-N 2.96Å; V729-S733 PolarHBondContact O-OG 2.95Å |
| 730 | F | 91.5 | Very high | 89.5 | Confident | 120 Ų | 120 | 89.8 Ų | 89.8 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 173.4 | -82.4 | -61.2 | 0 | 0 | 0 | 111.5 | V726 G727 M728 L732 S733 F734 | V726-F730 HydrophobicContact CG1-CD2 3.61Å; V726-F730 HydrophobicContact CG1-CE2 3.38Å; V726-F730 WeakPolarHBondContact O-CD2 3.46Å; V726-F730 PolarHBondContact O-N 3.42Å; G727-F730 PolarHBondContact O-N 2.97Å; M728-F730 VanDerWaalsContact C-N 3.34Å; M728-F730 PolarHBondContact O-N 3.04Å; F730-L732 VanDerWaalsContact C-N 3.35Å; F730-L732 PolarHBondContact O-N 3.45Å; F730-S733 PolarHBondContact O-N 3.29Å; F730-S733 VanDerWaalsContact O-N 3.14Å; F730-F734 HydrophobicContact CB-CD2 4.32Å; F730-F734 HydrophobicContact CB-CE2 4.33Å; F730-F734 HydrophobicContact CD1-CE2 4.23Å; F730-F734 WeakPolarHBondContact O-CB 3.47Å; F730-F734 WeakPolarHBondContact O-CD2 3.3Å; F730-F734 PolarHBondContact O-N 3.31Å |
| 731 | A | 93.1 | Very high | 89.3 | Confident | 56 Ų | 56 | 93.7 Ų | 93.7 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G727 M728 F734 T735 | G727-A731 WeakPolarHBondContact O-CB 3.48Å; G727-A731 PolarHBondContact O-N 3.1Å; M728-A731 PolarHBondContact O-N 2.94Å; A731-F734 PolarHBondContact O-N 3.4Å; A731-T735 WeakPolarHBondContact O-CB 3.39Å; A731-T735 VanDerWaalsContact O-CG2 3.3Å; A731-T735 WeakPolarHBondContact O-CG2 3.45Å; A731-T735 PolarHBondContact O-N 3.35Å; A731-T735 PolarHBondContact O-OG1 3.23Å |
| 732 | L | 93.2 | Very high | 88.9 | Confident | 121 Ų | 121 | 92.3 Ų | 92.3 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 174.7 | -71.7 | 172.9 | 0 | 0 | 0 | 112.2 | M728 V729 F730 T735 A736 | M728-L732 WeakPolarHBondContact O-CG 3.21Å; M728-L732 PolarHBondContact O-N 3.09Å; V729-L732 PolarHBondContact O-N 3.01Å; F730-L732 VanDerWaalsContact C-N 3.35Å; F730-L732 PolarHBondContact O-N 3.45Å; L732-T735 WeakPolarHBondContact CA-OG1 3.34Å; L732-T735 PolarHBondContact O-OG1 3Å; L732-A736 VanDerWaalsContact O-CB 3.24Å; L732-A736 WeakPolarHBondContact O-CB 3.43Å; L732-A736 PolarHBondContact O-N 3.4Å |
| 733 | S | 90 | Very high | 88.5 | Confident | 63 Ų | 63 | 94.3 Ų | 94.3 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | V729 F730 A736 F737 | V729-S733 VanDerWaalsContact O-CB 3.32Å; V729-S733 WeakPolarHBondContact O-CB 3.16Å; V729-S733 PolarHBondContact O-N 2.96Å; V729-S733 PolarHBondContact O-OG 2.95Å; F730-S733 PolarHBondContact O-N 3.29Å; F730-S733 VanDerWaalsContact O-N 3.14Å; S733-A736 PolarHBondContact O-N 3.48Å; S733-F737 WeakPolarHBondContact O-CB 3.49Å; S733-F737 PolarHBondContact O-N 3.2Å |
| 734 | F | 90.7 | Very high | 88 | Confident | 148 Ų | 148 | 93.5 Ų | 93.5 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -40 | 176.4 | -81.8 | -66.5 | 0 | 0 | 0 | 112.1 | F730 A731 G738 | F730-F734 HydrophobicContact CB-CD2 4.32Å; F730-F734 HydrophobicContact CB-CE2 4.33Å; F730-F734 HydrophobicContact CD1-CE2 4.23Å; F730-F734 WeakPolarHBondContact O-CB 3.47Å; F730-F734 WeakPolarHBondContact O-CD2 3.3Å; F730-F734 PolarHBondContact O-N 3.31Å; A731-F734 PolarHBondContact O-N 3.4Å; F734-G738 PolarHBondContact O-N 3.14Å |
| 735 | T | 89.8 | Confident | 87.4 | Confident | 91 Ų | 91 | 95 Ų | 95 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.9 | -42.6 | 176.1 | 50.6 | 0 | 0 | 0 | 0 | 112 | A731 L732 G738 K739 | A731-T735 WeakPolarHBondContact O-CB 3.39Å; A731-T735 VanDerWaalsContact O-CG2 3.3Å; A731-T735 WeakPolarHBondContact O-CG2 3.45Å; A731-T735 PolarHBondContact O-N 3.35Å; A731-T735 PolarHBondContact O-OG1 3.23Å; L732-T735 WeakPolarHBondContact CA-OG1 3.34Å; L732-T735 PolarHBondContact O-OG1 3Å; T735-G738 PolarHBondContact O-N 3.11Å; T735-K739 WeakPolarHBondContact O-CB 3.29Å; T735-K739 PolarHBondContact O-N 3.13Å |
| 736 | A | 88.2 | Confident | 86.5 | Confident | 54 Ų | 54 | 96.3 Ų | 96.3 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L732 S733 G738 K739 V740 | L732-A736 VanDerWaalsContact O-CB 3.24Å; L732-A736 WeakPolarHBondContact O-CB 3.43Å; L732-A736 PolarHBondContact O-N 3.4Å; S733-A736 PolarHBondContact O-N 3.48Å; A736-G738 PolarHBondContact O-N 2.92Å; A736-K739 PolarHBondContact O-N 3.42Å; A736-V740 WeakPolarHBondContact O-CG2 3.46Å; A736-V740 PolarHBondContact O-N 3.4Å |
| 737 | F | 87 | Confident | 85.8 | Confident | 136 Ų | 136 | 98.4 Ų | 98.4 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 176.3 | -176.6 | -98.8 | 0 | 0 | 0 | 111.9 | S733 K739 V740 R741 | S733-F737 WeakPolarHBondContact O-CB 3.49Å; S733-F737 PolarHBondContact O-N 3.2Å; F737-K739 VanDerWaalsContact C-N 3.33Å; F737-K739 PolarHBondContact O-N 3.1Å; F737-V740 PolarHBondContact O-N 3Å; F737-R741 VanDerWaalsContact O-CB 3.3Å; F737-R741 WeakPolarHBondContact O-CB 3.21Å; F737-R741 PolarHBondContact O-N 3.39Å |
| 738 | G | 86 | Confident | 84.7 | Confident | 35 Ų | 35 | 104.6 Ų | 104.6 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F734 T735 A736 R741 S742 | F734-G738 PolarHBondContact O-N 3.14Å; T735-G738 PolarHBondContact O-N 3.11Å; A736-G738 PolarHBondContact O-N 2.92Å; G738-R741 PolarHBondContact O-N 2.61Å; G738-S742 WeakPolarHBondContact O-CB 3.42Å; G738-S742 PolarHBondContact O-N 2.98Å |
| 739 | K | 84.6 | Confident | 83.3 | Confident | 148 Ų | 148 | 102.4 Ų | 102.4 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -43.5 | 176.7 | -168.8 | 172.3 | -176.7 | 170.4 | 0 | 112.1 | T735 A736 F737 S742 H743 | T735-K739 WeakPolarHBondContact O-CB 3.29Å; T735-K739 PolarHBondContact O-N 3.13Å; A736-K739 PolarHBondContact O-N 3.42Å; F737-K739 VanDerWaalsContact C-N 3.33Å; F737-K739 PolarHBondContact O-N 3.1Å; K739-S742 PolarHBondContact O-N 3.24Å; K739-H743 WeakPolarHBondContact O-CB 3.22Å; K739-H743 PolarHBondContact O-N 2.86Å |
| 740 | V | 83.6 | Confident | 82 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | A736 F737 S742 H743 V744 | A736-V740 WeakPolarHBondContact O-CG2 3.46Å; A736-V740 PolarHBondContact O-N 3.4Å; F737-V740 PolarHBondContact O-N 3Å; V740-S742 VanDerWaalsContact C-N 3.33Å; V740-S742 PolarHBondContact O-N 3.38Å; V740-H743 PolarHBondContact O-N 2.69Å; V740-V744 HydrophobicContact CG1-CG2 4.34Å; V740-V744 VanDerWaalsContact O-CG2 3.32Å; V740-V744 WeakPolarHBondContact O-CG2 3.29Å; V740-V744 PolarHBondContact O-N 3Å |
| 741 | R | 81 | Confident | 80.7 | Confident | 152 Ų | 152 | 104.8 Ų | 104.8 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 176.9 | -176.8 | -179 | 169.5 | 101.5 | -1.3 | 111.4 | F737 G738 V744 F745 | F737-R741 VanDerWaalsContact O-CB 3.3Å; F737-R741 WeakPolarHBondContact O-CB 3.21Å; F737-R741 PolarHBondContact O-N 3.39Å; G738-R741 PolarHBondContact O-N 2.61Å; R741-V744 PolarHBondContact O-N 3.33Å; R741-F745 HydrophobicContact CG-CD2 4.45Å; R741-F745 WeakPolarHBondContact O-CB 3.31Å; R741-F745 PolarHBondContact O-N 2.74Å |
| 742 | S | 79.4 | Confident | 79.1 | Confident | 77 Ų | 77 | 109.7 Ų | 109.7 | 54% | 0.538 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | G738 K739 V740 V744 F745 K746 | G738-S742 WeakPolarHBondContact O-CB 3.42Å; G738-S742 PolarHBondContact O-N 2.98Å; K739-S742 PolarHBondContact O-N 3.24Å; V740-S742 VanDerWaalsContact C-N 3.33Å; V740-S742 PolarHBondContact O-N 3.38Å; S742-V744 PolarHBondContact O-N 2.89Å; S742-F745 PolarHBondContact O-N 3.24Å; S742-K746 WeakPolarHBondContact O-CB 3.38Å; S742-K746 PolarHBondContact O-N 2.89Å |
| 743 | H | 79.1 | Confident | 77.4 | Confident | 111 Ų | 111 | 108.1 Ų | 108.1 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 176 | -112.5 | -73.2 | 0 | 0 | 0 | 112.9 | K739 V740 F745 K746 Q747 | K739-H743 WeakPolarHBondContact O-CB 3.22Å; K739-H743 PolarHBondContact O-N 2.86Å; V740-H743 PolarHBondContact O-N 2.69Å; H743-F745 VanDerWaalsContact C-N 3.35Å; H743-K746 PolarHBondContact O-N 3.24Å; H743-Q747 PolarHBondContact O-N 3.41Å |
| 744 | V | 78.2 | Confident | 75.9 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 39% | 0.394 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V740 R741 S742 Q747 R748 | V740-V744 HydrophobicContact CG1-CG2 4.34Å; V740-V744 VanDerWaalsContact O-CG2 3.32Å; V740-V744 WeakPolarHBondContact O-CG2 3.29Å; V740-V744 PolarHBondContact O-N 3Å; R741-V744 PolarHBondContact O-N 3.33Å; S742-V744 PolarHBondContact O-N 2.89Å; V744-Q747 PolarHBondContact O-N 2.94Å; V744-R748 WeakPolarHBondContact O-CB 3.37Å; V744-R748 WeakPolarHBondContact O-CG 3.34Å; V744-R748 PolarHBondContact O-N 2.87Å |
| 745 | F | 75.2 | Confident | 74.3 | Confident | 125 Ų | 125 | 107.4 Ų | 107.4 | 55% | 0.548 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.2 | -112.4 | -88.1 | 0 | 0 | 0 | 111.7 | R741 S742 H743 R748 A749 | R741-F745 HydrophobicContact CG-CD2 4.45Å; R741-F745 WeakPolarHBondContact O-CB 3.31Å; R741-F745 PolarHBondContact O-N 2.74Å; S742-F745 PolarHBondContact O-N 3.24Å; H743-F745 VanDerWaalsContact C-N 3.35Å; F745-R748 PolarHBondContact O-N 3.44Å; F745-A749 WeakPolarHBondContact O-CB 3.44Å; F745-A749 PolarHBondContact O-N 3.48Å |
| 746 | K | 74.8 | Confident | 72.7 | Confident | 131 Ų | 131 | 108.1 Ų | 108.1 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 177.6 | -163.8 | 175.5 | 179.6 | -178.1 | 0 | 111.7 | S742 H743 R748 A749 E750 | S742-K746 WeakPolarHBondContact O-CB 3.38Å; S742-K746 PolarHBondContact O-N 2.89Å; H743-K746 PolarHBondContact O-N 3.24Å; K746-R748 PolarHBondContact O-N 3.04Å; K746-A749 WeakPolarHBondContact O-CB 3.19Å; K746-A749 PolarHBondContact O-N 2.9Å; K746-E750 WeakPolarHBondContact O-CG 3.41Å; K746-E750 PolarHBondContact O-N 3.45Å |
| 747 | Q | 76.4 | Confident | 71.2 | Confident | 114 Ų | 114 | 111.1 Ų | 111.1 | 53% | 0.533 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -36 | 174.3 | -76.2 | -166.8 | -6 | 0 | 0 | 113.2 | H743 V744 K751 | H743-Q747 PolarHBondContact O-N 3.41Å; V744-Q747 PolarHBondContact O-N 2.94Å; Q747-K751 WeakPolarHBondContact O-CB 3.39Å; Q747-K751 PolarHBondContact O-N 3.23Å |
| 748 | R | 69 | Low | 69.7 | Low | 170 Ų | 170 | 114.7 Ų | 114.7 | 64% | 0.642 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.1 | -38.1 | 173.3 | -80.7 | -177 | 177.2 | -179.7 | -0.5 | 111.9 | V744 F745 K746 K752 | V744-R748 WeakPolarHBondContact O-CB 3.37Å; V744-R748 WeakPolarHBondContact O-CG 3.34Å; V744-R748 PolarHBondContact O-N 2.87Å; F745-R748 PolarHBondContact O-N 3.44Å; K746-R748 PolarHBondContact O-N 3.04Å; R748-K752 WeakPolarHBondContact O-CG 3.44Å; R748-K752 PolarHBondContact O-N 3.17Å |
| 749 | A | 64.1 | Low | 68.2 | Low | 54 Ų | 54 | 120 Ų | 120 | 45% | 0.446 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.5 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F745 K746 K751 K752 V753 | F745-A749 WeakPolarHBondContact O-CB 3.44Å; F745-A749 PolarHBondContact O-N 3.48Å; K746-A749 WeakPolarHBondContact O-CB 3.19Å; K746-A749 PolarHBondContact O-N 2.9Å; A749-K751 PolarHBondContact O-N 3.4Å; A749-K752 PolarHBondContact O-N 2.82Å; A749-V753 WeakPolarHBondContact O-CG2 3.29Å; A749-V753 PolarHBondContact O-N 2.9Å |
| 750 | E | 67.6 | Low | 66.4 | Low | 106 Ų | 106 | 118.6 Ų | 118.6 | 50% | 0.495 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.3 | -41.3 | 176.8 | -74 | 171.1 | -174.1 | 0 | 0 | 112.4 | K746 V753 C754 | K746-E750 WeakPolarHBondContact O-CG 3.41Å; K746-E750 PolarHBondContact O-N 3.45Å; E750-V753 PolarHBondContact O-N 2.99Å; E750-C754 PolarHBondContact O-N 3.18Å |
| 751 | K | 64 | Low | 65.5 | Low | 154 Ų | 154 | 120 Ų | 120 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.6 | -38 | 174 | -82.2 | -172.6 | 176.4 | -176.2 | 0 | 113.1 | Q747 A749 V753 C754 L755 | Q747-K751 WeakPolarHBondContact O-CB 3.39Å; Q747-K751 PolarHBondContact O-N 3.23Å; A749-K751 PolarHBondContact O-N 3.4Å; K751-V753 VanDerWaalsContact C-N 3.31Å; K751-C754 PolarHBondContact O-N 2.95Å; K751-L755 PolarHBondContact O-N 3.36Å |
| 752 | K | 58.5 | Low | 64.7 | Low | 158 Ų | 158 | 118.3 Ų | 118.3 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.5 | -41 | 173.5 | -83.2 | -173 | 175.5 | -171.9 | 0 | 111 | R748 A749 L755 T756 | R748-K752 WeakPolarHBondContact O-CG 3.44Å; R748-K752 PolarHBondContact O-N 3.17Å; A749-K752 PolarHBondContact O-N 2.82Å; K752-L755 PolarHBondContact O-N 2.85Å; K752-T756 PolarHBondContact O-N 2.99Å; K752-T756 PolarHBondContact O-OG1 2.91Å |
| 753 | V | 58.6 | Low | 63.9 | Low | 88 Ų | 88 | 120.6 Ų | 120.6 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.8 | -46.2 | 174.7 | 176 | 0 | 0 | 0 | 0 | 110.7 | A749 E750 K751 L755 T756 I757 | A749-V753 WeakPolarHBondContact O-CG2 3.29Å; A749-V753 PolarHBondContact O-N 2.9Å; E750-V753 PolarHBondContact O-N 2.99Å; K751-V753 VanDerWaalsContact C-N 3.31Å; V753-L755 PolarHBondContact O-N 3.36Å; V753-T756 PolarHBondContact O-N 2.69Å; V753-I757 HydrophobicContact CG1-CD1 4Å; V753-I757 WeakPolarHBondContact O-CG1 3.38Å; V753-I757 PolarHBondContact O-N 3.06Å; V753-I757 VanDerWaalsContact O-N 3.13Å |
| 754 | C | 58.3 | Low | 63 | Low | 79 Ų | 79 | 121.2 Ų | 121.2 | 53% | 0.534 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.6 | -40.1 | 176 | -84.2 | 0 | 0 | 0 | 0 | 113.9 | E750 K751 T756 I757 Y758 | E750-C754 PolarHBondContact O-N 3.18Å; K751-C754 PolarHBondContact O-N 2.95Å; C754-T756 VanDerWaalsContact C-N 3.29Å; C754-T756 PolarHBondContact O-N 2.8Å; C754-I757 PolarHBondContact O-N 3.11Å; C754-Y758 PolarHBondContact O-N 2.92Å; C754-Y758 VanDerWaalsContact O-N 3.1Å |
| 755 | L | 56.7 | Low | 62 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.1 | -32.5 | 178.7 | -137 | 103.5 | 0 | 0 | 0 | 111.9 | K751 K752 V753 I757 Y758 L759 | K751-L755 PolarHBondContact O-N 3.36Å; K752-L755 PolarHBondContact O-N 2.85Å; V753-L755 PolarHBondContact O-N 3.36Å; L755-I757 VanDerWaalsContact C-N 3.31Å; L755-Y758 PolarHBondContact O-N 3.44Å; L755-L759 HydrophobicContact CD2-CD1 4.02Å; L755-L759 PolarHBondContact O-N 3.32Å |
| 756 | T | 55.9 | Low | 61.1 | Low | 106 Ų | 106 | 124.7 Ų | 124.7 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.7 | -31.6 | 175.4 | -44.1 | 0 | 0 | 0 | 0 | 111.2 | K752 V753 C754 G760 | K752-T756 PolarHBondContact O-N 2.99Å; K752-T756 PolarHBondContact O-OG1 2.91Å; V753-T756 PolarHBondContact O-N 2.69Å; C754-T756 VanDerWaalsContact C-N 3.29Å; C754-T756 PolarHBondContact O-N 2.8Å; T756-G760 PolarHBondContact O-N 3.27Å |
| 757 | I | 57.3 | Low | 60.2 | Low | 117 Ų | 117 | 124.2 Ų | 124.2 | 60% | 0.6 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -75.5 | -30.3 | 176.1 | -65.2 | 165.8 | 0 | 0 | 0 | 112.3 | V753 C754 L755 | V753-I757 HydrophobicContact CG1-CD1 4Å; V753-I757 WeakPolarHBondContact O-CG1 3.38Å; V753-I757 PolarHBondContact O-N 3.06Å; V753-I757 VanDerWaalsContact O-N 3.13Å; C754-I757 PolarHBondContact O-N 3.11Å; L755-I757 VanDerWaalsContact C-N 3.31Å |
| 758 | Y | 56.2 | Low | 58.9 | Low | 212 Ų | 212 | 125 Ų | 125 | 83% | 0.831 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -86.1 | -17.3 | 179.7 | -105 | -82.9 | 0 | 0 | 0 | 114.7 | C754 L755 | C754-Y758 PolarHBondContact O-N 2.92Å; C754-Y758 VanDerWaalsContact O-N 3.1Å; L755-Y758 PolarHBondContact O-N 3.44Å |
| 759 | L | 54.9 | Low | 58.1 | Low | 146 Ų | 146 | 121.3 Ų | 121.3 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -101.2 | -6 | 177 | -82.3 | 164.7 | 0 | 0 | 0 | 113.8 | L755 | L755-L759 HydrophobicContact CD2-CD1 4.02Å; L755-L759 PolarHBondContact O-N 3.32Å |
| 760 | G | 44.9 | Very low | 57.5 | Low | 118 Ų | 118 | 127.4 Ų | 127.4 | 100% | 1.216 | 69% | 0.69 | S | S | * | * | trans | -94.3 | 0 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T756 | T756-G760 PolarHBondContact O-N 3.27Š|
Retrieved 760 of 760 residues in 1180 ms
(Link to these results)