| 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 | 50.2 | Low | 64.2 | Low | 205 Ų | 205 | 80.2 Ų | 80.2 | 100% | 1.01 | 46% | 0.457 | S | S | * | . | 0 | -80.2 | 0 | -58.1 | -37.9 | -170.8 | 0 | 0 | 114 | C3 L4 G5 | M1-C3 VanDerWaalsContact C-N 3.29Å; M1-C3 PolarHBondContact O-N 3.19Å; M1-L4 PolarHBondContact O-N 3.1Å; M1-G5 PolarHBondContact O-N 3.4Å | |||
| 2 | G | 64.8 | Low | 65.2 | Low | 59 Ų | 59 | 82 Ų | 82 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -54.2 | -25.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | R6 | G2-R6 WeakPolarHBondContact O-CG 3.5Å |
| 3 | C | 64.1 | Low | 65.5 | Low | 57 Ų | 57 | 77.2 Ų | 77.2 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.7 | -43.4 | 172.4 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | M1 R6 T7 C20 | M1-C3 VanDerWaalsContact C-N 3.29Å; M1-C3 PolarHBondContact O-N 3.19Å; C3-R6 PolarHBondContact O-N 3.44Å; C3-T7 PolarHBondContact O-N 3.02Å; C3-T7 PolarHBondContact O-OG1 2.97Å; C3-T7 VanDerWaalsContact O-OG1 3.04Å; C3-C20 VanDerWaalsContact SG-CB 3.59Å |
| 4 | L | 64.2 | Low | 65.9 | Low | 120 Ų | 120 | 74 Ų | 74 | 63% | 0.628 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | -177.9 | -170.6 | 70.1 | 0 | 0 | 0 | 111.8 | M1 R6 T7 L8 | M1-L4 PolarHBondContact O-N 3.1Å; L4-R6 VanDerWaalsContact C-N 3.35Å; L4-R6 PolarHBondContact O-N 2.78Å; L4-T7 WeakPolarHBondContact O-CB 3.21Å; L4-T7 PolarHBondContact O-N 2.91Å; L4-T7 VanDerWaalsContact O-N 3.12Å; L4-L8 PolarHBondContact O-N 3.06Å |
| 5 | G | 64.7 | Low | 66.2 | Low | 32 Ų | 32 | 77.4 Ų | 77.4 | 33% | 0.33 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.3 | -46.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 T7 L8 E9 | M1-G5 PolarHBondContact O-N 3.4Å; G5-T7 VanDerWaalsContact C-N 3.33Å; G5-T7 PolarHBondContact O-N 2.89Å; G5-L8 WeakPolarHBondContact O-CB 3.41Å; G5-L8 PolarHBondContact O-N 2.75Å; G5-L8 VanDerWaalsContact O-N 3.1Å; G5-E9 WeakPolarHBondContact O-CG 3.38Å; G5-E9 PolarHBondContact O-N 3.22Å |
| 6 | R | 64.5 | Low | 66.2 | Low | 100 Ų | 100 | 72.6 Ų | 72.6 | 38% | 0.377 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -33.5 | 174.6 | -74.6 | 172.9 | 173 | -107 | -2 | 113.4 | G2 C3 L4 L8 E9 C10 Y824 | G2-R6 WeakPolarHBondContact O-CG 3.5Å; C3-R6 PolarHBondContact O-N 3.44Å; L4-R6 VanDerWaalsContact C-N 3.35Å; L4-R6 PolarHBondContact O-N 2.78Å; R6-L8 VanDerWaalsContact C-N 3.31Å; R6-E9 WeakPolarHBondContact CG-OE2 3.33Å; R6-E9 PolarHBondContact O-N 2.84Å; R6-C10 VanDerWaalsContact O-CB 3.3Å; R6-C10 WeakPolarHBondContact O-CB 3.4Å; R6-C10 PolarHBondContact O-N 3.48Å; R6-C10 PolarHBondContact O-SG 3.46Å; R6-Y824 VanDerWaalsContact NH1-CD2 3.32Å; R6-Y824 VanDerWaalsContact NH1-CE2 3.32Å |
| 7 | T | 66 | Low | 66.1 | Low | 69 Ų | 69 | 69.5 Ų | 69.5 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 172.7 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | C3 L4 G5 G11 C20 | C3-T7 PolarHBondContact O-N 3.02Å; C3-T7 PolarHBondContact O-OG1 2.97Å; C3-T7 VanDerWaalsContact O-OG1 3.04Å; L4-T7 WeakPolarHBondContact O-CB 3.21Å; L4-T7 PolarHBondContact O-N 2.91Å; L4-T7 VanDerWaalsContact O-N 3.12Å; G5-T7 VanDerWaalsContact C-N 3.33Å; G5-T7 PolarHBondContact O-N 2.89Å; T7-G11 WeakPolarHBondContact O-CA 3.3Å; T7-G11 PolarHBondContact O-N 3Å; T7-C20 VanDerWaalsContact CA-SG 3.59Å; T7-C20 PolarHBondContact OG1-SG 3.21Å |
| 8 | L | 66.5 | Low | 65.8 | Low | 99 Ų | 99 | 69.9 Ų | 69.9 | 52% | 0.518 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -70 | -50.1 | 172.3 | -63.5 | 169.2 | 0 | 0 | 0 | 110.9 | L4 G5 R6 C10 G11 F12 | L4-L8 PolarHBondContact O-N 3.06Å; G5-L8 WeakPolarHBondContact O-CB 3.41Å; G5-L8 PolarHBondContact O-N 2.75Å; G5-L8 VanDerWaalsContact O-N 3.1Å; R6-L8 VanDerWaalsContact C-N 3.31Å; L8-C10 PolarHBondContact O-N 3.16Å; L8-G11 PolarHBondContact O-N 3.42Å; L8-G11 VanDerWaalsContact O-N 3.1Å; L8-F12 HydrophobicContact CD2-CE2 4.43Å; L8-F12 WeakPolarHBondContact O-CD2 3.05Å; L8-F12 PolarHBondContact O-N 3.25Å |
| 9 | E | 66.9 | Low | 65.6 | Low | 121 Ų | 121 | 70.3 Ų | 70.3 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.5 | -44.8 | 177.4 | -68.8 | 168.7 | 165.5 | 0 | 0 | 112.7 | G5 R6 G13 | G5-E9 WeakPolarHBondContact O-CG 3.38Å; G5-E9 PolarHBondContact O-N 3.22Å; R6-E9 WeakPolarHBondContact CG-OE2 3.33Å; R6-E9 PolarHBondContact O-N 2.84Å; E9-G13 VanDerWaalsContact O-CA 3.27Å; E9-G13 WeakPolarHBondContact O-CA 3.17Å; E9-G13 PolarHBondContact O-N 3.21Å |
| 10 | C | 65.9 | Low | 65.3 | Low | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.054 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -81 | -19.2 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | R6 L8 C17 | R6-C10 VanDerWaalsContact O-CB 3.3Å; R6-C10 WeakPolarHBondContact O-CB 3.4Å; R6-C10 PolarHBondContact O-N 3.48Å; R6-C10 PolarHBondContact O-SG 3.46Å; L8-C10 PolarHBondContact O-N 3.16Å; C10-C17 HydrophobicContact CB-CB 3.43Å; C10-C17 VanDerWaalsContact CB-CB 3.43Å; C10-C17 WeakPolarHBondContact CB-SG 3.35Å; C10-C17 WeakPolarHBondContact SG-CB 2.97Å; C10-C17 CovalentContact SG-SG 2.03Å; C10-C17 PolarHBondContact SG-SG 3.09Å |
| 11 | G | 68.9 | Low | 65 | Low | 12 Ų | 12 | 69.4 Ų | 69.4 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.9 | -53.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T7 L8 Y123 W124 L125 | T7-G11 WeakPolarHBondContact O-CA 3.3Å; T7-G11 PolarHBondContact O-N 3Å; L8-G11 PolarHBondContact O-N 3.42Å; L8-G11 VanDerWaalsContact O-N 3.1Å; G11-Y123 CarbonylContact O-C 3.55Å; G11-W124 PolarHBondContact O-N 2.98Å; G11-W124 VanDerWaalsContact O-N 3.12Å; G11-L125 VanDerWaalsContact O-CB 3.31Å; G11-L125 WeakPolarHBondContact O-CB 3.29Å; G11-L125 PolarHBondContact O-N 3.36Å |
| 12 | F | 75.4 | Confident | 65.8 | Low | 102 Ų | 102 | 63.1 Ų | 63.1 | 45% | 0.447 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -78.4 | -34.3 | 178.7 | -73.6 | -85.2 | 0 | 0 | 0 | 113.2 | L8 Y123 L125 W126 | L8-F12 HydrophobicContact CD2-CE2 4.43Å; L8-F12 WeakPolarHBondContact O-CD2 3.05Å; L8-F12 PolarHBondContact O-N 3.25Å; F12-Y123 VanDerWaalsContact O-CD1 3.26Å; F12-Y123 WeakPolarHBondContact O-CD1 3.41Å; F12-L125 HydrophobicContact CD1-CD1 4.33Å; F12-L125 HydrophobicContact CD1-CD2 3.61Å; F12-L125 HydrophobicContact CD2-CD1 4.08Å; F12-L125 HydrophobicContact CE1-CD1 3.89Å; F12-L125 HydrophobicContact CE1-CD2 3.41Å; F12-L125 VanDerWaalsContact CE1-CD2 3.41Å; F12-L125 HydrophobicContact CE1-CG 4.3Å; F12-L125 HydrophobicContact CE2-CD1 3.6Å; F12-L125 HydrophobicContact CG-CD1 4.41Å; F12-L125 HydrophobicContact CG-CD2 4.28Å; F12-L125 HydrophobicContact CZ-CD1 3.49Å; F12-L125 VanDerWaalsContact CZ-CD1 3.49Å; F12-L125 HydrophobicContact CZ-CD2 3.95Å; F12-L125 HydrophobicContact CZ-CG 4.39Å; F12-W126 HydrophobicContact CD1-CZ2 4.22Å; F12-W126 AromaticContact CD1-NE1 3.92Å; F12-W126 HydrophobicContact CE1-CZ2 4.47Å |
| 13 | G | 69.2 | Low | 65.9 | Low | 20 Ų | 20 | 67.8 Ų | 67.8 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -90.7 | 179.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E9 Y15 Y123 | E9-G13 VanDerWaalsContact O-CA 3.27Å; E9-G13 WeakPolarHBondContact O-CA 3.17Å; E9-G13 PolarHBondContact O-N 3.21Å; G13-Y15 PolarHBondContact O-N 3.11Å; G13-Y15 VanDerWaalsContact O-N 3.16Å; G13-Y123 WeakPolarHBondContact O-CA 3.37Å; G13-Y123 PolarHBondContact O-N 3.39Å |
| 14 | A | 71.8 | Confident | 66 | Low | 32 Ų | 32 | 70 Ų | 70 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -76 | 7.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K118 Y123 | A14-K118 HydrophobicContact CB-CB 4.29Å; A14-K118 HydrophobicContact CB-CD 4.3Å; A14-Y123 HydrophobicContact CB-CD2 4.42Å; A14-Y123 HydrophobicContact CB-CE2 3.67Å |
| 15 | Y | 70.4 | Confident | 66.2 | Low | 125 Ų | 125 | 65 Ų | 65 | 49% | 0.49 | 35% | 0.347 | S | S | . | . | trans | -86.5 | 142.4 | -171 | -59.9 | -78.7 | 0 | 0 | 0 | 112.6 | G13 C17 | G13-Y15 PolarHBondContact O-N 3.11Å; G13-Y15 VanDerWaalsContact O-N 3.16Å; Y15-C17 VanDerWaalsContact CB-SG 3.53Å; Y15-C17 PolarHBondContact O-N 3.23Å; Y15-C17 VanDerWaalsContact O-N 3.07Å | ||
| 16 | P | 65.9 | Low | 66.6 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | trans | -83.9 | 24.3 | -171.2 | 34.9 | -36.2 | 0 | 0 | 0 | 114.8 | F18 E27 T30 N121 T825 Y827 | P16-F18 PolarHBondContact O-N 3.02Å; P16-E27 HydrophobicContact CB-CB 4.35Å; P16-E27 HydrophobicContact CB-CG 4.07Å; P16-E27 HydrophobicContact CG-CB 4.23Å; P16-E27 HydrophobicContact CG-CG 4.2Å; P16-T30 VanDerWaalsContact O-CB 3.32Å; P16-T30 WeakPolarHBondContact O-CB 3.48Å; P16-T30 PolarHBondContact O-OG1 2.66Å; P16-N121 WeakPolarHBondContact CA-O 3.49Å; P16-N121 HydrophobicContact CB-CB 4.4Å; P16-T825 HydrophobicContact CG-CG2 4.24Å; P16-Y827 VanDerWaalsContact CD-OH 3.25Å; P16-Y827 WeakPolarHBondContact CD-OH 3.47Å; P16-Y827 HydrophobicContact CG-CE1 3.76Å | ||
| 17 | C | 63.8 | Low | 67.2 | Low | 20 Ų | 20 | 63.2 Ų | 63.2 | 14% | 0.135 | 33% | 0.33 | C | S | . | . | trans | -88.3 | 80.4 | -173.2 | -1.4 | 0 | 0 | 0 | 0 | 111.8 | C10 Y15 L19 | C10-C17 HydrophobicContact CB-CB 3.43Å; C10-C17 VanDerWaalsContact CB-CB 3.43Å; C10-C17 WeakPolarHBondContact CB-SG 3.35Å; C10-C17 WeakPolarHBondContact SG-CB 2.97Å; C10-C17 CovalentContact SG-SG 2.03Å; C10-C17 PolarHBondContact SG-SG 3.09Å; Y15-C17 VanDerWaalsContact CB-SG 3.53Å; Y15-C17 PolarHBondContact O-N 3.23Å; Y15-C17 VanDerWaalsContact O-N 3.07Å; C17-L19 VanDerWaalsContact C-N 3.32Å | ||
| 18 | F | 60.7 | Low | 67.6 | Low | 76 Ų | 76 | 60.1 Ų | 60.1 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -76.1 | -22.5 | 165.1 | -171.1 | -92.4 | 0 | 0 | 0 | 112.4 | P16 A34 L37 W124 | P16-F18 PolarHBondContact O-N 3.02Å; F18-A34 HydrophobicContact CB-CB 3.94Å; F18-A34 HydrophobicContact CD1-CB 4.05Å; F18-A34 HydrophobicContact CD2-CB 3.28Å; F18-A34 HydrophobicContact CE1-CB 4.45Å; F18-A34 HydrophobicContact CE2-CB 3.73Å; F18-A34 HydrophobicContact CG-CB 3.46Å; F18-A34 VanDerWaalsContact CG-CB 3.46Å; F18-A34 HydrophobicContact CZ-CB 4.3Å; F18-L37 HydrophobicContact CD1-CD1 4.36Å; F18-L37 HydrophobicContact CE1-CD1 3.45Å; F18-L37 VanDerWaalsContact CE1-CD1 3.45Å; F18-L37 HydrophobicContact CZ-CB 4.44Å; F18-L37 HydrophobicContact CZ-CD1 4.04Å; F18-W124 HydrophobicContact CD2-CD2 4.37Å; F18-W124 HydrophobicContact CD2-CE3 4.48Å |
| 19 | L | 62.3 | Low | 68 | Low | 77 Ų | 77 | 56.6 Ų | 56.6 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | trans | -131.6 | 78.5 | -178.5 | -84 | 161.3 | 0 | 0 | 0 | 110.2 | C17 C21 V22 | C17-L19 VanDerWaalsContact C-N 3.32Å; L19-C21 PolarHBondContact O-N 3.45Å; L19-V22 HydrophobicContact CB-CB 4.38Å; L19-V22 HydrophobicContact CB-CG2 3.97Å; L19-V22 PolarHBondContact O-N 2.7Å | ||
| 20 | C | 60.1 | Low | 68.5 | Low | 17 Ų | 17 | 51.1 Ų | 51.1 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -23.2 | -176.2 | -62.1 | 0 | 0 | 0 | 0 | 114.6 | C3 T7 | C3-C20 VanDerWaalsContact SG-CB 3.59Å; T7-C20 VanDerWaalsContact CA-SG 3.59Å; T7-C20 PolarHBondContact OG1-SG 3.21Å |
| 21 | C | 59.5 | Low | 69.5 | Low | 105 Ų | 105 | 50.7 Ų | 50.7 | 71% | 0.709 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -18.2 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 114.2 | L19 K23 | L19-C21 PolarHBondContact O-N 3.45Å; C21-K23 PolarHBondContact O-N 3.22Å |
| 22 | V | 66.4 | Low | 70.2 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | trans | -95.8 | 93.4 | -171 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | L19 S25 | L19-V22 HydrophobicContact CB-CB 4.38Å; L19-V22 HydrophobicContact CB-CG2 3.97Å; L19-V22 PolarHBondContact O-N 2.7Å; V22-S25 WeakPolarHBondContact O-CB 3.28Å; V22-S25 PolarHBondContact O-OG 2.98Å | ||
| 23 | K | 65.8 | Low | 70.5 | Confident | 157 Ų | 157 | 49.5 Ų | 49.5 | 68% | 0.683 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 147.8 | 172.9 | -67.1 | -179.6 | 179.4 | 176 | 0 | 112 | C21 S25 Y824 | C21-K23 PolarHBondContact O-N 3.22Å; K23-S25 PolarHBondContact O-N 3.33Å; K23-Y824 CarbonylContact C-O 3.58Å; K23-Y824 HydrophobicContact CG-CD1 4.41Å |
| 24 | N | 67.3 | Low | 71.4 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 29.9 | -179.7 | -159.3 | 35 | 0 | 0 | 0 | 114.1 | Y824 | N24-Y824 WeakPolarHBondContact CA-O 3.34Å; N24-Y824 PolarHBondContact N-O 2.73Å |
| 25 | S | 69.1 | Low | 72.3 | Confident | 15 Ų | 15 | 47 Ų | 47 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 148.4 | 178 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | V22 K23 Y824 T825 M826 | V22-S25 WeakPolarHBondContact O-CB 3.28Å; V22-S25 PolarHBondContact O-OG 2.98Å; K23-S25 PolarHBondContact O-N 3.33Å; S25-Y824 PolarHBondContact N-O 2.88Å; S25-Y824 PolarHBondContact OG-O 3.33Å; S25-T825 CarbonylContact O-C 3.56Å; S25-T825 VanDerWaalsContact O-CA 3.25Å; S25-T825 WeakPolarHBondContact O-CA 3.34Å; S25-M826 PolarHBondContact O-N 2.9Å |
| 26 | R | 72 | Confident | 73 | Confident | 90 Ų | 90 | 41.4 Ų | 41.4 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.4 | 178.2 | -88.6 | -177.6 | 175 | 165.3 | 1.1 | 110.9 | S28 T29 T30 M826 N828 | R26-S28 VanDerWaalsContact C-N 3.3Å; R26-S28 PolarHBondContact O-N 3.2Å; R26-T29 CarbonylContact O-C 3.49Å; R26-T29 WeakPolarHBondContact O-CA 3.17Å; R26-T29 WeakPolarHBondContact O-CB 3.4Å; R26-T29 PolarHBondContact O-N 2.91Å; R26-T30 PolarHBondContact O-N 2.93Å; R26-M826 HydrophobicContact CG-CB 4.28Å; R26-M826 HydrophobicContact CG-SD 4.08Å; R26-N828 WeakPolarHBondContact CB-OD1 3.49Å; R26-N828 HydrophobicContact CG-CB 4.36Å |
| 27 | E | 78.2 | Confident | 74 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -42.6 | -51.8 | 173.3 | 170.2 | -173.3 | -149.2 | 0 | 0 | 113 | P16 T29 T30 T31 S112 N121 M826 Y827 N828 E829 | P16-E27 HydrophobicContact CB-CB 4.35Å; P16-E27 HydrophobicContact CB-CG 4.07Å; P16-E27 HydrophobicContact CG-CB 4.23Å; P16-E27 HydrophobicContact CG-CG 4.2Å; E27-T29 PolarHBondContact O-N 3.48Å; E27-T30 PolarHBondContact O-OG1 2.99Å; E27-T30 VanDerWaalsContact O-OG1 3.11Å; E27-T31 WeakPolarHBondContact O-CB 3.18Å; E27-T31 PolarHBondContact O-N 3.48Å; E27-T31 PolarHBondContact O-OG1 2.73Å; E27-S112 WeakPolarHBondContact OE1-CB 3.46Å; E27-S112 PolarHBondContact OE1-OG 3.44Å; E27-S112 PolarHBondContact OE2-OG 3.14Å; E27-N121 HydrophobicContact CG-CB 4.29Å; E27-N121 VanDerWaalsContact CG-ND2 3.26Å; E27-N121 WeakPolarHBondContact CG-ND2 3.26Å; E27-N121 PolarHBondContact OE1-ND2 2.9Å; E27-M826 WeakPolarHBondContact CB-O 3.12Å; E27-M826 PolarHBondContact N-O 3.45Å; E27-M826 VanDerWaalsContact N-O 3.11Å; E27-Y827 VanDerWaalsContact OE2-C 3.22Å; E27-Y827 VanDerWaalsContact OE2-CA 3.24Å; E27-Y827 WeakPolarHBondContact OE2-CA 3.47Å; E27-N828 PolarHBondContact OE2-N 3.06Å; E27-E829 PolarHBondContact OE2-N 2.99Å; E27-E829 VanDerWaalsContact OE2-N 3.1Å |
| 28 | S | 73.3 | Confident | 75.3 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -27.4 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | R26 R32 N828 | R26-S28 VanDerWaalsContact C-N 3.3Å; R26-S28 PolarHBondContact O-N 3.2Å; S28-R32 PolarHBondContact O-NE 3.08Å; S28-R32 PolarHBondContact O-NH2 3.02Å; S28-N828 WeakPolarHBondContact CB-OD1 3.42Å; S28-N828 PolarHBondContact N-OD1 3.26Å; S28-N828 PolarHBondContact OG-ND2 2.96Å; S28-N828 PolarHBondContact OG-OD1 3.03Å |
| 29 | T | 74 | Confident | 76.6 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -88.7 | -40.5 | -175.1 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | R26 E27 L33 | R26-T29 CarbonylContact O-C 3.49Å; R26-T29 WeakPolarHBondContact O-CA 3.17Å; R26-T29 WeakPolarHBondContact O-CB 3.4Å; R26-T29 PolarHBondContact O-N 2.91Å; E27-T29 PolarHBondContact O-N 3.48Å; T29-L33 HydrophobicContact CG2-CD1 4.16Å; T29-L33 WeakPolarHBondContact O-CG 3.07Å; T29-L33 PolarHBondContact O-N 2.93Å; T29-L33 VanDerWaalsContact O-N 3.15Å |
| 30 | T | 79.4 | Confident | 77.7 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.1 | 53.4 | 0 | 0 | 0 | 0 | 111 | P16 R26 E27 R32 L33 A34 | P16-T30 VanDerWaalsContact O-CB 3.32Å; P16-T30 WeakPolarHBondContact O-CB 3.48Å; P16-T30 PolarHBondContact O-OG1 2.66Å; R26-T30 PolarHBondContact O-N 2.93Å; E27-T30 PolarHBondContact O-OG1 2.99Å; E27-T30 VanDerWaalsContact O-OG1 3.11Å; T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 PolarHBondContact O-N 3.12Å; T30-L33 PolarHBondContact O-N 3.29Å; T30-A34 PolarHBondContact O-N 3.07Å |
| 31 | T | 85.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.6 | -44 | 179.8 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | E27 A34 Y35 H120 N121 W124 | E27-T31 WeakPolarHBondContact O-CB 3.18Å; E27-T31 PolarHBondContact O-N 3.48Å; E27-T31 PolarHBondContact O-OG1 2.73Å; T31-A34 WeakPolarHBondContact O-CB 3.17Å; T31-Y35 HydrophobicContact CG2-CD2 4.04Å; T31-Y35 HydrophobicContact CG2-CE2 3.65Å; T31-Y35 WeakPolarHBondContact O-CD2 3.45Å; T31-Y35 PolarHBondContact O-N 3.02Å; T31-H120 WeakPolarHBondContact CG2-O 3.5Å; T31-N121 WeakPolarHBondContact CG2-OD1 3.19Å; T31-N121 PolarHBondContact OG1-OD1 3.26Å; T31-W124 HydrophobicContact CG2-CH2 3.88Å; T31-W124 HydrophobicContact CG2-CZ2 3.91Å; T31-W124 WeakPolarHBondContact O-CH2 3.28Å |
| 32 | R | 83.5 | Confident | 80.6 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -79.7 | -31.1 | -178.6 | -68 | 175.8 | -70.2 | -174.2 | 0.7 | 113.3 | S28 T30 A34 T36 A391 S392 Y835 F840 | S28-R32 PolarHBondContact O-NE 3.08Å; S28-R32 PolarHBondContact O-NH2 3.02Å; T30-R32 VanDerWaalsContact C-N 3.33Å; T30-R32 PolarHBondContact O-N 3.12Å; R32-A34 VanDerWaalsContact C-N 3.32Å; R32-T36 WeakPolarHBondContact O-CB 3.34Å; R32-T36 PolarHBondContact O-N 2.94Å; R32-T36 PolarHBondContact O-OG1 2.96Å; R32-A391 PolarHBondContact NH1-O 2.87Å; R32-S392 VanDerWaalsContact NH1-CA 3.33Å; R32-Y835 WeakPolarHBondContact CD-OH 3.31Å; R32-Y835 HydrophobicContact CG-CE2 4.26Å; R32-Y835 VanDerWaalsContact CG-OH 3.3Å; R32-Y835 WeakPolarHBondContact CG-OH 3.22Å; R32-F840 HydrophobicContact CB-CE2 4.17Å; R32-F840 HydrophobicContact CB-CZ 4.24Å; R32-F840 HydrophobicContact CG-CD2 4.22Å; R32-F840 HydrophobicContact CG-CE1 4.44Å; R32-F840 HydrophobicContact CG-CE2 3.57Å; R32-F840 HydrophobicContact CG-CZ 3.71Å |
| 33 | L | 83 | Confident | 81.6 | Confident | 83 Ų | 83 | 37.8 Ų | 37.8 | 44% | 0.435 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.1 | -42 | 170.2 | -72.2 | 170.5 | 0 | 0 | 0 | 110.6 | T29 T30 T36 L37 | T29-L33 HydrophobicContact CG2-CD1 4.16Å; T29-L33 WeakPolarHBondContact O-CG 3.07Å; T29-L33 PolarHBondContact O-N 2.93Å; T29-L33 VanDerWaalsContact O-N 3.15Å; T30-L33 PolarHBondContact O-N 3.29Å; L33-T36 WeakPolarHBondContact O-CB 3.34Å; L33-T36 PolarHBondContact O-N 2.89Å; L33-L37 WeakPolarHBondContact O-CG 3.22Å; L33-L37 PolarHBondContact O-N 3.29Å |
| 34 | A | 86.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.8 | -53.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F18 T30 T31 R32 T36 L37 I38 W124 | F18-A34 HydrophobicContact CB-CB 3.94Å; F18-A34 HydrophobicContact CD1-CB 4.05Å; F18-A34 HydrophobicContact CD2-CB 3.28Å; F18-A34 HydrophobicContact CE1-CB 4.45Å; F18-A34 HydrophobicContact CE2-CB 3.73Å; F18-A34 HydrophobicContact CG-CB 3.46Å; F18-A34 VanDerWaalsContact CG-CB 3.46Å; F18-A34 HydrophobicContact CZ-CB 4.3Å; T30-A34 PolarHBondContact O-N 3.07Å; T31-A34 WeakPolarHBondContact O-CB 3.17Å; R32-A34 VanDerWaalsContact C-N 3.32Å; A34-T36 VanDerWaalsContact C-N 3.28Å; A34-T36 PolarHBondContact O-N 3.35Å; A34-L37 PolarHBondContact O-N 2.94Å; A34-L37 VanDerWaalsContact O-N 3.16Å; A34-I38 WeakPolarHBondContact O-CG1 3.43Å; A34-I38 PolarHBondContact O-N 3.37Å; A34-W124 HydrophobicContact CB-CD2 4.31Å; A34-W124 HydrophobicContact CB-CE3 3.85Å; A34-W124 HydrophobicContact CB-CH2 3.53Å; A34-W124 HydrophobicContact CB-CZ2 4.02Å; A34-W124 HydrophobicContact CB-CZ3 3.44Å; A34-W124 VanDerWaalsContact CB-CZ3 3.44Å |
| 35 | Y | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -33.7 | 175.9 | -71.2 | -58 | 0 | 0 | 0 | 113.2 | T31 I38 L39 F98 H120 W124 K127 F840 H841 | T31-Y35 HydrophobicContact CG2-CD2 4.04Å; T31-Y35 HydrophobicContact CG2-CE2 3.65Å; T31-Y35 WeakPolarHBondContact O-CD2 3.45Å; T31-Y35 PolarHBondContact O-N 3.02Å; Y35-I38 HydrophobicContact CD1-CD1 4.29Å; Y35-I38 PolarHBondContact O-N 2.99Å; Y35-L39 PolarHBondContact O-N 3.18Å; Y35-F98 HydrophobicContact CD1-CE1 4.27Å; Y35-F98 AromaticContact CE1-CE1 3.8Å; Y35-F98 HydrophobicContact CE1-CE1 3.8Å; Y35-F98 AromaticContact CE1-CZ 3.85Å; Y35-F98 HydrophobicContact CE1-CZ 3.85Å; Y35-H120 AromaticContact CE2-CE1 3.87Å; Y35-H120 PolarHBondContact OH-O 3.16Å; Y35-H120 VanDerWaalsContact OH-O 3.12Å; Y35-W124 HydrophobicContact CD1-CZ3 4.22Å; Y35-W124 HydrophobicContact CD2-CH2 4.01Å; Y35-W124 HydrophobicContact CD2-CZ3 4.43Å; Y35-W124 HydrophobicContact CE1-CH2 4.23Å; Y35-W124 AromaticContact CE1-CZ3 3.89Å; Y35-W124 HydrophobicContact CE1-CZ3 3.89Å; Y35-W124 AromaticContact CE2-CH2 3.64Å; Y35-W124 HydrophobicContact CE2-CH2 3.64Å; Y35-W124 HydrophobicContact CE2-CZ3 4.15Å; Y35-W124 HydrophobicContact CG-CH2 4.47Å; Y35-W124 HydrophobicContact CG-CZ3 4.46Å; Y35-W124 AromaticContact CZ-CH2 3.74Å; Y35-W124 AromaticContact CZ-CZ3 3.85Å; Y35-K127 HydrophobicContact CE1-CD 4.4Å; Y35-K127 WeakPolarHBondContact OH-CE 3.16Å; Y35-K127 PolarHBondContact OH-NZ 3.38Å; Y35-K127 VanDerWaalsContact OH-NZ 3.07Å; Y35-F840 AromaticContact CD2-CE1 3.56Å; Y35-F840 HydrophobicContact CD2-CE1 3.56Å; Y35-F840 AromaticContact CD2-CZ 3.93Å; Y35-F840 HydrophobicContact CD2-CZ 3.93Å; Y35-F840 HydrophobicContact CE2-CE1 4.19Å; Y35-F840 HydrophobicContact CG-CE1 4.09Å; Y35-F840 HydrophobicContact CG-CZ 4.28Å; Y35-H841 AromaticContact CE1-CE1 3.88Å; Y35-H841 AromaticContact CE2-CE1 3.82Å; Y35-H841 AromaticContact CZ-CE1 3.52Å |
| 36 | T | 85.8 | Confident | 84.5 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | R32 L33 A34 L39 V40 L385 S388 Y844 | R32-T36 WeakPolarHBondContact O-CB 3.34Å; R32-T36 PolarHBondContact O-N 2.94Å; R32-T36 PolarHBondContact O-OG1 2.96Å; L33-T36 WeakPolarHBondContact O-CB 3.34Å; L33-T36 PolarHBondContact O-N 2.89Å; A34-T36 VanDerWaalsContact C-N 3.28Å; A34-T36 PolarHBondContact O-N 3.35Å; T36-L39 PolarHBondContact O-N 3.05Å; T36-V40 WeakPolarHBondContact O-CG2 3.5Å; T36-V40 PolarHBondContact O-N 3.33Å; T36-L385 HydrophobicContact CG2-CD2 3.91Å; T36-S388 WeakPolarHBondContact CG2-OG 3.4Å; T36-S388 WeakPolarHBondContact OG1-CB 3.31Å; T36-S388 PolarHBondContact OG1-OG 3.27Å; T36-Y844 PolarHBondContact OG1-OH 2.9Å |
| 37 | L | 87 | Confident | 85.1 | Confident | 89 Ų | 89 | 31.3 Ų | 31.3 | 47% | 0.466 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69.9 | -34.8 | 179.6 | -70.5 | 165 | 0 | 0 | 0 | 112.1 | F18 L33 A34 V40 F41 | F18-L37 HydrophobicContact CD1-CD1 4.36Å; F18-L37 HydrophobicContact CE1-CD1 3.45Å; F18-L37 VanDerWaalsContact CE1-CD1 3.45Å; F18-L37 HydrophobicContact CZ-CB 4.44Å; F18-L37 HydrophobicContact CZ-CD1 4.04Å; L33-L37 WeakPolarHBondContact O-CG 3.22Å; L33-L37 PolarHBondContact O-N 3.29Å; A34-L37 PolarHBondContact O-N 2.94Å; A34-L37 VanDerWaalsContact O-N 3.16Å; L37-V40 PolarHBondContact O-N 2.73Å; L37-F41 WeakPolarHBondContact O-CB 3.49Å; L37-F41 PolarHBondContact O-N 3.26Å |
| 38 | I | 90.6 | Very high | 85.5 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 12% | 0.118 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 169 | -68 | 167.6 | 0 | 0 | 0 | 110.6 | A34 Y35 V40 F41 I42 L95 I131 | A34-I38 WeakPolarHBondContact O-CG1 3.43Å; A34-I38 PolarHBondContact O-N 3.37Å; Y35-I38 HydrophobicContact CD1-CD1 4.29Å; Y35-I38 PolarHBondContact O-N 2.99Å; I38-V40 PolarHBondContact O-N 2.78Å; I38-F41 PolarHBondContact O-N 3.48Å; I38-I42 WeakPolarHBondContact O-CB 3.18Å; I38-I42 WeakPolarHBondContact O-CG1 3.33Å; I38-I42 PolarHBondContact O-N 3.06Å; I38-L95 HydrophobicContact CG2-CD1 3.94Å; I38-I131 HydrophobicContact CD1-CD1 4.45Å; I38-I131 HydrophobicContact CG2-CD1 4.02Å |
| 39 | L | 88.7 | Confident | 86 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -39 | 177.9 | 178.7 | 62.6 | 0 | 0 | 0 | 112.4 | Y35 T36 T43 L95 F384 Y844 A847 | Y35-L39 PolarHBondContact O-N 3.18Å; T36-L39 PolarHBondContact O-N 3.05Å; L39-T43 WeakPolarHBondContact O-CB 3.37Å; L39-T43 PolarHBondContact O-N 3.19Å; L39-T43 PolarHBondContact O-OG1 3.47Å; L39-L95 HydrophobicContact CD1-CD2 3.7Å; L39-F384 HydrophobicContact CD2-CB 4.24Å; L39-F384 HydrophobicContact CD2-CD1 4Å; L39-F384 HydrophobicContact CD2-CD2 4.49Å; L39-F384 HydrophobicContact CD2-CG 4.01Å; L39-Y844 HydrophobicContact CB-CD1 4.49Å; L39-Y844 HydrophobicContact CB-CE1 4.37Å; L39-Y844 HydrophobicContact CD2-CD1 4.14Å; L39-Y844 HydrophobicContact CD2-CE1 4.15Å; L39-A847 HydrophobicContact CD2-CB 4.28Å |
| 40 | V | 85.7 | Confident | 86.3 | Confident | 46 Ų | 46 | 30.7 Ų | 30.7 | 28% | 0.279 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 176 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | T36 L37 I38 T43 F44 | T36-V40 WeakPolarHBondContact O-CG2 3.5Å; T36-V40 PolarHBondContact O-N 3.33Å; L37-V40 PolarHBondContact O-N 2.73Å; I38-V40 PolarHBondContact O-N 2.78Å; V40-T43 WeakPolarHBondContact O-CB 3.46Å; V40-T43 PolarHBondContact O-N 3.01Å; V40-F44 PolarHBondContact O-N 3.4Å |
| 41 | F | 90.2 | Very high | 85.9 | Confident | 116 Ų | 116 | 33.7 Ų | 33.7 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.9 | 176.6 | -95.6 | 0 | 0 | 0 | 111.9 | L37 I38 T43 F44 M45 | L37-F41 WeakPolarHBondContact O-CB 3.49Å; L37-F41 PolarHBondContact O-N 3.26Å; I38-F41 PolarHBondContact O-N 3.48Å; F41-T43 VanDerWaalsContact C-N 3.3Å; F41-T43 PolarHBondContact O-N 3.26Å; F41-F44 PolarHBondContact O-N 2.94Å; F41-M45 HydrophobicContact CD1-CG 4.35Å; F41-M45 HydrophobicContact CD2-CE 4.44Å; F41-M45 HydrophobicContact CE1-CE 4.46Å; F41-M45 HydrophobicContact CE1-CG 3.93Å; F41-M45 HydrophobicContact CE2-CE 3.54Å; F41-M45 HydrophobicContact CE2-CG 4.39Å; F41-M45 HydrophobicContact CZ-CE 3.55Å; F41-M45 HydrophobicContact CZ-CG 3.96Å; F41-M45 WeakPolarHBondContact O-CG 3.47Å; F41-M45 PolarHBondContact O-N 3.31Å |
| 42 | I | 90.4 | Very high | 85.2 | Confident | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -34.6 | 175.8 | -68 | -65.8 | 0 | 0 | 0 | 111.6 | I38 M45 S46 I91 L95 | I38-I42 WeakPolarHBondContact O-CB 3.18Å; I38-I42 WeakPolarHBondContact O-CG1 3.33Å; I38-I42 PolarHBondContact O-N 3.06Å; I42-M45 PolarHBondContact O-N 2.8Å; I42-S46 WeakPolarHBondContact O-CB 3.34Å; I42-S46 PolarHBondContact O-N 2.88Å; I42-S46 PolarHBondContact O-OG 3.29Å; I42-I91 HydrophobicContact CD1-CG2 4.36Å; I42-I91 HydrophobicContact CG2-CG2 3.68Å; I42-L95 HydrophobicContact CB-CD2 3.96Å; I42-L95 HydrophobicContact CG1-CD2 4.14Å; I42-L95 HydrophobicContact CG2-CB 4.28Å; I42-L95 HydrophobicContact CG2-CD2 3.73Å |
| 43 | T | 87.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 171.3 | -61.2 | 0 | 0 | 0 | 0 | 111 | L39 V40 F41 S46 I47 L851 | L39-T43 WeakPolarHBondContact O-CB 3.37Å; L39-T43 PolarHBondContact O-N 3.19Å; L39-T43 PolarHBondContact O-OG1 3.47Å; V40-T43 WeakPolarHBondContact O-CB 3.46Å; V40-T43 PolarHBondContact O-N 3.01Å; F41-T43 VanDerWaalsContact C-N 3.3Å; F41-T43 PolarHBondContact O-N 3.26Å; T43-S46 PolarHBondContact O-N 3.02Å; T43-I47 HydrophobicContact CG2-CD1 3.92Å; T43-I47 WeakPolarHBondContact O-CG1 3.36Å; T43-I47 PolarHBondContact O-N 2.95Å; T43-L851 HydrophobicContact CG2-CD1 3.81Å |
| 44 | F | 87.6 | Confident | 84.8 | Confident | 126 Ų | 126 | 37 Ų | 37 | 55% | 0.553 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.5 | -46.5 | 177.2 | 179.8 | -93.9 | 0 | 0 | 0 | 112.2 | V40 F41 S46 I47 A48 | V40-F44 PolarHBondContact O-N 3.4Å; F41-F44 PolarHBondContact O-N 2.94Å; F44-S46 VanDerWaalsContact C-N 3.31Å; F44-S46 PolarHBondContact O-N 3.47Å; F44-I47 PolarHBondContact O-N 3.32Å; F44-A48 WeakPolarHBondContact O-CB 3.45Å; F44-A48 PolarHBondContact O-N 2.88Å |
| 45 | M | 88.6 | Confident | 84.6 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64 | -35.3 | 178.3 | -69.9 | -60.8 | 166.5 | 0 | 0 | 112.7 | F41 I42 A48 S49 | F41-M45 HydrophobicContact CD1-CG 4.35Å; F41-M45 HydrophobicContact CD2-CE 4.44Å; F41-M45 HydrophobicContact CE1-CE 4.46Å; F41-M45 HydrophobicContact CE1-CG 3.93Å; F41-M45 HydrophobicContact CE2-CE 3.54Å; F41-M45 HydrophobicContact CE2-CG 4.39Å; F41-M45 HydrophobicContact CZ-CE 3.55Å; F41-M45 HydrophobicContact CZ-CG 3.96Å; F41-M45 WeakPolarHBondContact O-CG 3.47Å; F41-M45 PolarHBondContact O-N 3.31Å; I42-M45 PolarHBondContact O-N 2.8Å; M45-A48 PolarHBondContact O-N 2.58Å; M45-S49 VanDerWaalsContact O-CB 3.29Å; M45-S49 WeakPolarHBondContact O-CB 3.33Å; M45-S49 PolarHBondContact O-N 2.95Å |
| 46 | S | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 174.3 | -54.3 | 0 | 0 | 0 | 0 | 112 | I42 T43 F44 H50 V88 I91 | I42-S46 WeakPolarHBondContact O-CB 3.34Å; I42-S46 PolarHBondContact O-N 2.88Å; I42-S46 PolarHBondContact O-OG 3.29Å; T43-S46 PolarHBondContact O-N 3.02Å; F44-S46 VanDerWaalsContact C-N 3.31Å; F44-S46 PolarHBondContact O-N 3.47Å; S46-H50 PolarHBondContact O-N 2.76Å; S46-V88 WeakPolarHBondContact O-CG2 3.43Å; S46-I91 VanDerWaalsContact OG-CG2 3.26Å; S46-I91 WeakPolarHBondContact OG-CG2 3.47Å |
| 47 | I | 84.1 | Confident | 83.9 | Confident | 44 Ų | 44 | 43 Ų | 43 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 173.9 | -67.7 | 165 | 0 | 0 | 0 | 110.8 | T43 F44 H50 G53 I377 L855 | T43-I47 HydrophobicContact CG2-CD1 3.92Å; T43-I47 WeakPolarHBondContact O-CG1 3.36Å; T43-I47 PolarHBondContact O-N 2.95Å; F44-I47 PolarHBondContact O-N 3.32Å; I47-H50 WeakPolarHBondContact O-CB 3.46Å; I47-H50 PolarHBondContact O-N 2.96Å; I47-G53 WeakPolarHBondContact O-CA 3.47Å; I47-I377 HydrophobicContact CD1-CD1 4.38Å; I47-I377 HydrophobicContact CD1-CG1 4.3Å; I47-L855 HydrophobicContact CG1-CD1 4.46Å; I47-L855 HydrophobicContact CG1-CD2 3.8Å |
| 48 | A | 85.5 | Confident | 83.7 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -38 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F44 M45 H50 G53 V54 L55 | F44-A48 WeakPolarHBondContact O-CB 3.45Å; F44-A48 PolarHBondContact O-N 2.88Å; M45-A48 PolarHBondContact O-N 2.58Å; A48-H50 VanDerWaalsContact C-N 3.31Å; A48-H50 PolarHBondContact O-N 3.5Å; A48-G53 CarbonylContact O-C 3.46Å; A48-G53 WeakPolarHBondContact O-CA 3.2Å; A48-V54 PolarHBondContact O-N 3.34Å; A48-L55 WeakPolarHBondContact O-CB 3.48Å; A48-L55 PolarHBondContact O-N 2.91Å |
| 49 | S | 84.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -24.1 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 113.6 | M45 I82 I83 G84 G87 | M45-S49 VanDerWaalsContact O-CB 3.29Å; M45-S49 WeakPolarHBondContact O-CB 3.33Å; M45-S49 PolarHBondContact O-N 2.95Å; S49-I82 PolarHBondContact OG-O 3.43Å; S49-I83 CarbonylContact O-C 3.44Å; S49-I83 WeakPolarHBondContact O-CA 3.46Å; S49-G84 PolarHBondContact O-N 2.89Å; S49-G87 WeakPolarHBondContact OG-CA 3.47Å |
| 50 | H | 80.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -61.3 | 164.2 | -173.5 | -163.5 | -114.7 | 0 | 0 | 0 | 114.8 | S46 I47 A48 G52 G53 S56 L855 S864 V866 L869 | S46-H50 PolarHBondContact O-N 2.76Å; I47-H50 WeakPolarHBondContact O-CB 3.46Å; I47-H50 PolarHBondContact O-N 2.96Å; A48-H50 VanDerWaalsContact C-N 3.31Å; A48-H50 PolarHBondContact O-N 3.5Å; H50-G52 VanDerWaalsContact C-N 3.29Å; H50-G52 PolarHBondContact O-N 2.95Å; H50-G53 WeakPolarHBondContact O-CA 3.18Å; H50-G53 PolarHBondContact O-N 3.4Å; H50-S56 WeakPolarHBondContact O-CB 3.46Å; H50-L855 PolarHBondContact NE2-O 3.21Å; H50-L855 VanDerWaalsContact NE2-O 3.14Å; H50-S864 VanDerWaalsContact CE1-C 3.45Å; H50-S864 PolarHBondContact CE1-O 3.33Å; H50-S864 WeakPolarHBondContact NE2-CB 3.48Å; H50-S864 PolarHBondContact NE2-O 2.81Å; H50-S864 VanDerWaalsContact NE2-O 3.08Å; H50-V866 WeakPolarHBondContact ND1-CG2 3.38Å; H50-L869 WeakPolarHBondContact CE1-CD1 3.05Å |
| 51 | E | 70.9 | Confident | 83.1 | Confident | 69 Ų | 69 | 54.4 Ų | 54.4 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29 | -171.4 | -65.1 | -170.1 | -178.8 | 0 | 0 | 114.7 | S56 Y85 | E51-S56 WeakPolarHBondContact O-CB 3.49Å; E51-S56 PolarHBondContact O-OG 3.06Å; E51-Y85 WeakPolarHBondContact OE1-CD1 3.38Å |
| 52 | G | 69.7 | Low | 82.9 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 12.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H50 V866 | H50-G52 VanDerWaalsContact C-N 3.29Å; H50-G52 PolarHBondContact O-N 2.95Å; G52-V866 VanDerWaalsContact C-CG2 3.42Å |
| 53 | G | 75.8 | Confident | 82.5 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.4 | 169.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I47 A48 H50 L55 S56 S57 | I47-G53 WeakPolarHBondContact O-CA 3.47Å; A48-G53 CarbonylContact O-C 3.46Å; A48-G53 WeakPolarHBondContact O-CA 3.2Å; H50-G53 WeakPolarHBondContact O-CA 3.18Å; H50-G53 PolarHBondContact O-N 3.4Å; G53-L55 PolarHBondContact O-N 3.16Å; G53-S56 WeakPolarHBondContact O-CB 3.42Å; G53-S56 PolarHBondContact O-N 3.15Å; G53-S56 VanDerWaalsContact O-N 3.11Å; G53-S57 PolarHBondContact O-N 3.39Å |
| 54 | V | 83.3 | Confident | 82.3 | Confident | 103 Ų | 103 | 64 Ų | 64 | 62% | 0.624 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -56.8 | -35.1 | -178.9 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | A48 S57 L58 | A48-V54 PolarHBondContact O-N 3.34Å; V54-S57 PolarHBondContact O-N 2.86Å; V54-L58 VanDerWaalsContact O-CB 3.27Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 PolarHBondContact O-N 3.15Å |
| 55 | L | 81.5 | Confident | 82 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.3 | -38 | 179.9 | -168.3 | 59.6 | 0 | 0 | 0 | 112 | A48 G53 L58 Y59 F66 I82 I83 | A48-L55 WeakPolarHBondContact O-CB 3.48Å; A48-L55 PolarHBondContact O-N 2.91Å; G53-L55 PolarHBondContact O-N 3.16Å; L55-L58 PolarHBondContact O-N 3.32Å; L55-Y59 VanDerWaalsContact O-CB 3.23Å; L55-Y59 WeakPolarHBondContact O-CB 3.28Å; L55-Y59 PolarHBondContact O-N 3.11Å; L55-F66 HydrophobicContact CD1-CE1 4.37Å; L55-I82 HydrophobicContact CD2-CG2 3.72Å; L55-I83 HydrophobicContact CD2-CG1 4.23Å; L55-I83 HydrophobicContact CG-CD1 4.33Å; L55-I83 HydrophobicContact CG-CG1 4.14Å |
| 56 | S | 78.8 | Confident | 81.7 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 172.8 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | H50 E51 G53 L58 Y59 L60 | H50-S56 WeakPolarHBondContact O-CB 3.46Å; E51-S56 WeakPolarHBondContact O-CB 3.49Å; E51-S56 PolarHBondContact O-OG 3.06Å; G53-S56 WeakPolarHBondContact O-CB 3.42Å; G53-S56 PolarHBondContact O-N 3.15Å; G53-S56 VanDerWaalsContact O-N 3.11Å; S56-L58 PolarHBondContact O-N 2.84Å; S56-Y59 WeakPolarHBondContact O-CB 3.37Å; S56-Y59 PolarHBondContact O-N 2.88Å; S56-L60 WeakPolarHBondContact O-CB 3.49Å; S56-L60 WeakPolarHBondContact O-CG 3.49Å; S56-L60 PolarHBondContact O-N 3.08Å |
| 57 | S | 82.5 | Confident | 81.3 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.5 | -175 | 0 | 0 | 0 | 0 | 112.6 | G53 V54 R61 | G53-S57 PolarHBondContact O-N 3.39Å; V54-S57 PolarHBondContact O-N 2.86Å; S57-R61 WeakPolarHBondContact O-CB 3.24Å; S57-R61 PolarHBondContact O-N 3.42Å; S57-R61 VanDerWaalsContact O-N 3.11Å |
| 58 | L | 84.6 | Confident | 81.3 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.366 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 177 | -173.7 | 67 | 0 | 0 | 0 | 112.2 | V54 L55 S56 R61 H62 F66 | V54-L58 VanDerWaalsContact O-CB 3.27Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 PolarHBondContact O-N 3.15Å; L55-L58 PolarHBondContact O-N 3.32Å; S56-L58 PolarHBondContact O-N 2.84Å; L58-R61 PolarHBondContact O-N 2.9Å; L58-H62 WeakPolarHBondContact CD1-ND1 3.39Å; L58-H62 PolarHBondContact O-N 2.98Å; L58-H62 PolarHBondContact O-ND1 3.11Å; L58-F66 HydrophobicContact CD2-CE2 4.09Å; L58-F66 HydrophobicContact CD2-CZ 3.66Å; L58-F66 HydrophobicContact CG-CE2 3.89Å; L58-F66 HydrophobicContact CG-CZ 3.92Å |
| 59 | Y | 83.1 | Confident | 81.3 | Confident | 16 Ų | 16 | 74.7 Ų | 74.7 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60 | -51 | 173.1 | 175.4 | -87.8 | 0 | 0 | 0 | 111.5 | L55 S56 R61 H62 R63 F66 E67 G78 C79 I83 | L55-Y59 VanDerWaalsContact O-CB 3.23Å; L55-Y59 WeakPolarHBondContact O-CB 3.28Å; L55-Y59 PolarHBondContact O-N 3.11Å; S56-Y59 WeakPolarHBondContact O-CB 3.37Å; S56-Y59 PolarHBondContact O-N 2.88Å; Y59-R61 PolarHBondContact O-N 3.25Å; Y59-H62 CarbonylContact O-C 3.45Å; Y59-H62 PolarHBondContact O-N 3.49Å; Y59-R63 HydrophobicContact CE1-CG 4.46Å; Y59-R63 WeakPolarHBondContact O-CA 3.37Å; Y59-R63 PolarHBondContact O-N 2.79Å; Y59-F66 HydrophobicContact CD2-CB 3.59Å; Y59-F66 HydrophobicContact CD2-CD1 4.39Å; Y59-F66 HydrophobicContact CD2-CG 4.18Å; Y59-F66 HydrophobicContact CE2-CB 3.95Å; Y59-E67 HydrophobicContact CE2-CG 4.15Å; Y59-E67 WeakPolarHBondContact OH-CG 3.25Å; Y59-E67 PolarHBondContact OH-OE1 2.97Å; Y59-G78 VanDerWaalsContact OH-CA 3.26Å; Y59-G78 WeakPolarHBondContact OH-CA 3.48Å; Y59-C79 HydrophobicContact CD2-CB 4.08Å; Y59-C79 HydrophobicContact CE2-CB 3.66Å; Y59-I83 VanDerWaalsContact CB-CD1 3.43Å; Y59-I83 HydrophobicContact CD1-CD1 4.32Å; Y59-I83 HydrophobicContact CD2-CD1 3.53Å; Y59-I83 HydrophobicContact CE2-CD1 4.42Å; Y59-I83 HydrophobicContact CG-CD1 3.49Å; Y59-I83 VanDerWaalsContact CG-CD1 3.49Å |
| 60 | L | 82.3 | Confident | 81.2 | Confident | 124 Ų | 124 | 74.6 Ų | 74.6 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.8 | -27.3 | 178.7 | -70.8 | 171.4 | 0 | 0 | 0 | 112.8 | S56 | S56-L60 WeakPolarHBondContact O-CB 3.49Å; S56-L60 WeakPolarHBondContact O-CG 3.49Å; S56-L60 PolarHBondContact O-N 3.08Å |
| 61 | R | 86.4 | Confident | 81.3 | Confident | 190 Ų | 190 | 79 Ų | 79 | 72% | 0.717 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -80 | -33.2 | 176.6 | -176.2 | 175.5 | -67 | -159.5 | -2.1 | 114 | S57 L58 Y59 | S57-R61 WeakPolarHBondContact O-CB 3.24Å; S57-R61 PolarHBondContact O-N 3.42Å; S57-R61 VanDerWaalsContact O-N 3.11Å; L58-R61 PolarHBondContact O-N 2.9Å; Y59-R61 PolarHBondContact O-N 3.25Å |
| 62 | H | 85.9 | Confident | 81.9 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 36% | 0.361 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -126.6 | 45.5 | -174.8 | -53.1 | 102.2 | 0 | 0 | 0 | 111.1 | L58 Y59 D64 N65 F66 | L58-H62 WeakPolarHBondContact CD1-ND1 3.39Å; L58-H62 PolarHBondContact O-N 2.98Å; L58-H62 PolarHBondContact O-ND1 3.11Å; Y59-H62 CarbonylContact O-C 3.45Å; Y59-H62 PolarHBondContact O-N 3.49Å; H62-D64 VanDerWaalsContact C-N 3.35Å; H62-D64 PolarHBondContact O-N 3.43Å; H62-N65 PolarHBondContact O-N 2.97Å; H62-F66 HydrophobicContact CB-CD2 3.99Å; H62-F66 HydrophobicContact CB-CE2 4.29Å; H62-F66 PolarHBondContact O-N 3Å; H62-F66 VanDerWaalsContact O-N 3.1Å |
| 63 | R | 82.9 | Confident | 82.4 | Confident | 129 Ų | 129 | 84.6 Ų | 84.6 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -49.7 | -52.6 | -166.4 | -176.5 | 178.2 | -179.9 | 149.5 | 7.3 | 112.8 | Y59 N65 F66 E67 | Y59-R63 HydrophobicContact CE1-CG 4.46Å; Y59-R63 WeakPolarHBondContact O-CA 3.37Å; Y59-R63 PolarHBondContact O-N 2.79Å; R63-N65 PolarHBondContact O-N 3.46Å; R63-F66 CarbonylContact O-C 3.57Å; R63-F66 PolarHBondContact O-N 3.37Å; R63-F66 VanDerWaalsContact O-N 3.11Å; R63-E67 HydrophobicContact CG-CG 4.21Å; R63-E67 IonicContact CZ-OE1 3.15Å; R63-E67 IonicContact NE-OE1 2.74Å; R63-E67 PolarHBondContact NE-OE1 2.92Å; R63-E67 IonicContact NE-OE2 2.72Å; R63-E67 IonicContact NH2-OE1 2.86Å; R63-E67 PolarHBondContact NH2-OE1 3.31Å; R63-E67 PolarHBondContact O-N 3.35Å |
| 64 | D | 81 | Confident | 82.4 | Confident | 126 Ų | 126 | 86.4 Ų | 86.4 | 67% | 0.674 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | -170.4 | -40.1 | -43.7 | 0 | 0 | 0 | 111.4 | H62 F66 E67 Q68 | H62-D64 VanDerWaalsContact C-N 3.35Å; H62-D64 PolarHBondContact O-N 3.43Å; D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 2.91Å; D64-E67 PolarHBondContact O-N 3.27Å; D64-Q68 PolarHBondContact O-N 3.48Å; D64-Q68 VanDerWaalsContact O-N 3.12Å |
| 65 | N | 81.9 | Confident | 82 | Confident | 112 Ų | 112 | 81.7 Ų | 81.7 | 60% | 0.599 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 174.7 | -65.7 | -18.2 | 0 | 0 | 0 | 111.9 | H62 R63 F69 | H62-N65 PolarHBondContact O-N 2.97Å; R63-N65 PolarHBondContact O-N 3.46Å; N65-F69 PolarHBondContact O-N 3.05Å |
| 66 | F | 82.1 | Confident | 81.5 | Confident | 46 Ų | 46 | 80.6 Ų | 80.6 | 20% | 0.202 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -76.2 | -36.1 | 178.7 | -90.5 | -92.1 | 0 | 0 | 0 | 112.8 | L55 L58 Y59 H62 R63 D64 Q68 F69 C70 | L55-F66 HydrophobicContact CD1-CE1 4.37Å; L58-F66 HydrophobicContact CD2-CE2 4.09Å; L58-F66 HydrophobicContact CD2-CZ 3.66Å; L58-F66 HydrophobicContact CG-CE2 3.89Å; L58-F66 HydrophobicContact CG-CZ 3.92Å; Y59-F66 HydrophobicContact CD2-CB 3.59Å; Y59-F66 HydrophobicContact CD2-CD1 4.39Å; Y59-F66 HydrophobicContact CD2-CG 4.18Å; Y59-F66 HydrophobicContact CE2-CB 3.95Å; H62-F66 HydrophobicContact CB-CD2 3.99Å; H62-F66 HydrophobicContact CB-CE2 4.29Å; H62-F66 PolarHBondContact O-N 3Å; H62-F66 VanDerWaalsContact O-N 3.1Å; R63-F66 CarbonylContact O-C 3.57Å; R63-F66 PolarHBondContact O-N 3.37Å; R63-F66 VanDerWaalsContact O-N 3.11Å; D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 2.91Å; F66-Q68 VanDerWaalsContact C-N 3.33Å; F66-Q68 PolarHBondContact O-N 2.99Å; F66-F69 PolarHBondContact O-N 2.89Å; F66-C70 VanDerWaalsContact O-CB 3.24Å; F66-C70 WeakPolarHBondContact O-CB 3.47Å; F66-C70 PolarHBondContact O-N 3.02Å; F66-C70 PolarHBondContact O-SG 2.89Å |
| 67 | E | 81 | Confident | 81.2 | Confident | 64 Ų | 64 | 88.5 Ų | 88.5 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 175.7 | -76.8 | -173 | 174.2 | 0 | 0 | 111.3 | Y59 R63 D64 C70 S71 | Y59-E67 HydrophobicContact CE2-CG 4.15Å; Y59-E67 WeakPolarHBondContact OH-CG 3.25Å; Y59-E67 PolarHBondContact OH-OE1 2.97Å; R63-E67 HydrophobicContact CG-CG 4.21Å; R63-E67 IonicContact CZ-OE1 3.15Å; R63-E67 IonicContact NE-OE1 2.74Å; R63-E67 PolarHBondContact NE-OE1 2.92Å; R63-E67 IonicContact NE-OE2 2.72Å; R63-E67 IonicContact NH2-OE1 2.86Å; R63-E67 PolarHBondContact NH2-OE1 3.31Å; R63-E67 PolarHBondContact O-N 3.35Å; D64-E67 PolarHBondContact O-N 3.27Å; E67-C70 PolarHBondContact O-N 2.61Å; E67-S71 VanDerWaalsContact O-CB 3.23Å; E67-S71 WeakPolarHBondContact O-CB 3.36Å; E67-S71 PolarHBondContact O-N 3.28Å |
| 68 | Q | 83.1 | Confident | 80.5 | Confident | 143 Ų | 143 | 87 Ų | 87 | 67% | 0.668 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.6 | -49.4 | 171.5 | -170.8 | 179.9 | 13.4 | 0 | 0 | 111.9 | D64 F66 S71 Q72 | D64-Q68 PolarHBondContact O-N 3.48Å; D64-Q68 VanDerWaalsContact O-N 3.12Å; F66-Q68 VanDerWaalsContact C-N 3.33Å; F66-Q68 PolarHBondContact O-N 2.99Å; Q68-S71 PolarHBondContact O-N 2.88Å; Q68-Q72 PolarHBondContact O-N 2.91Å |
| 69 | F | 85.1 | Confident | 80.2 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.6 | 173.6 | -108.1 | 0 | 0 | 0 | 112.6 | N65 F66 S71 Q72 I73 | N65-F69 PolarHBondContact O-N 3.05Å; F66-F69 PolarHBondContact O-N 2.89Å; F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.28Å; F69-Q72 PolarHBondContact O-N 3.25Å; F69-I73 HydrophobicContact CD1-CD1 3.9Å; F69-I73 HydrophobicContact CE1-CD1 3.48Å; F69-I73 VanDerWaalsContact CE1-CD1 3.48Å; F69-I73 HydrophobicContact CE2-CD1 4.34Å; F69-I73 HydrophobicContact CE2-CG2 4.16Å; F69-I73 HydrophobicContact CG-CD1 4.5Å; F69-I73 HydrophobicContact CZ-CD1 3.73Å; F69-I73 HydrophobicContact CZ-CG2 4.41Å; F69-I73 WeakPolarHBondContact O-CG1 3.43Å; F69-I73 PolarHBondContact O-N 3.36Å |
| 70 | C | 83.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.02 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.2 | -30.8 | -179.7 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | F66 E67 G74 A75 C79 | F66-C70 VanDerWaalsContact O-CB 3.24Å; F66-C70 WeakPolarHBondContact O-CB 3.47Å; F66-C70 PolarHBondContact O-N 3.02Å; F66-C70 PolarHBondContact O-SG 2.89Å; E67-C70 PolarHBondContact O-N 2.61Å; C70-G74 PolarHBondContact O-N 2.68Å; C70-A75 HydrophobicContact CB-CB 4.03Å; C70-A75 WeakPolarHBondContact O-CB 3.32Å; C70-A75 PolarHBondContact O-N 3.12Å; C70-C79 HydrophobicContact CB-CB 3.58Å; C70-C79 WeakPolarHBondContact CB-SG 3.41Å; C70-C79 WeakPolarHBondContact SG-CB 3.08Å; C70-C79 CovalentContact SG-SG 2.03Å; C70-C79 PolarHBondContact SG-SG 3.08Å |
| 71 | S | 81.7 | Confident | 79.6 | Confident | 93 Ų | 93 | 83.5 Ų | 83.5 | 65% | 0.65 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.4 | -50.5 | 168.5 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | E67 Q68 F69 I73 G74 | E67-S71 VanDerWaalsContact O-CB 3.23Å; E67-S71 WeakPolarHBondContact O-CB 3.36Å; E67-S71 PolarHBondContact O-N 3.28Å; Q68-S71 PolarHBondContact O-N 2.88Å; F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.28Å; S71-I73 PolarHBondContact O-N 3.07Å; S71-I73 VanDerWaalsContact O-N 3.13Å; S71-G74 PolarHBondContact O-N 3.33Å |
| 72 | Q | 83.3 | Confident | 79.2 | Confident | 162 Ų | 162 | 75.9 Ų | 75.9 | 76% | 0.757 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.8 | -31.2 | -179.2 | -171 | 179.4 | 9.8 | 0 | 0 | 113.8 | Q68 F69 | Q68-Q72 PolarHBondContact O-N 2.91Å; F69-Q72 PolarHBondContact O-N 3.25Å |
| 73 | I | 80.6 | Confident | 79 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 6 | 179.1 | 70.2 | -166 | 0 | 0 | 0 | 114.3 | F69 S71 A75 I82 | F69-I73 HydrophobicContact CD1-CD1 3.9Å; F69-I73 HydrophobicContact CE1-CD1 3.48Å; F69-I73 VanDerWaalsContact CE1-CD1 3.48Å; F69-I73 HydrophobicContact CE2-CD1 4.34Å; F69-I73 HydrophobicContact CE2-CG2 4.16Å; F69-I73 HydrophobicContact CG-CD1 4.5Å; F69-I73 HydrophobicContact CZ-CD1 3.73Å; F69-I73 HydrophobicContact CZ-CG2 4.41Å; F69-I73 WeakPolarHBondContact O-CG1 3.43Å; F69-I73 PolarHBondContact O-N 3.36Å; S71-I73 PolarHBondContact O-N 3.07Å; S71-I73 VanDerWaalsContact O-N 3.13Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 HydrophobicContact CD1-CB 4.29Å; I73-A75 HydrophobicContact CG1-CB 3.92Å; I73-A75 PolarHBondContact O-N 3.25Å; I73-I82 HydrophobicContact CD1-CD1 3.49Å; I73-I82 VanDerWaalsContact CD1-CD1 3.49Å; I73-I82 HydrophobicContact CG1-CD1 4.38Å |
| 74 | G | 75 | Confident | 78.7 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 24.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C70 S71 G76 R81 | C70-G74 PolarHBondContact O-N 2.68Å; S71-G74 PolarHBondContact O-N 3.33Å; G74-G76 PolarHBondContact O-N 3.16Å; G74-R81 PolarHBondContact O-NH1 3.06Å |
| 75 | A | 74.9 | Confident | 78.6 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | trans | -74.3 | -2.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | C70 I73 R81 I82 | C70-A75 HydrophobicContact CB-CB 4.03Å; C70-A75 WeakPolarHBondContact O-CB 3.32Å; C70-A75 PolarHBondContact O-N 3.12Å; I73-A75 VanDerWaalsContact C-N 3.33Å; I73-A75 HydrophobicContact CD1-CB 4.29Å; I73-A75 HydrophobicContact CG1-CB 3.92Å; I73-A75 PolarHBondContact O-N 3.25Å; A75-R81 HydrophobicContact CB-CB 4.41Å; A75-R81 VanDerWaalsContact O-CB 3.26Å; A75-R81 WeakPolarHBondContact O-CB 3.36Å; A75-R81 WeakPolarHBondContact O-CG 3.44Å; A75-R81 PolarHBondContact O-N 2.94Å; A75-I82 HydrophobicContact CB-CD1 3.64Å; A75-I82 HydrophobicContact CB-CG1 3.95Å | ||
| 76 | G | 72.1 | Confident | 78.6 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | trans | 82.4 | 166 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G74 C79 | G74-G76 PolarHBondContact O-N 3.16Å; G76-C79 WeakPolarHBondContact O-CA 3.38Å; G76-C79 PolarHBondContact O-N 3.32Å | ||
| 77 | E | 71.6 | Confident | 78.8 | Confident | 182 Ų | 182 | 57.6 Ų | 57.6 | 85% | 0.85 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -54.6 | 141.1 | 176.6 | -64 | 176.3 | -179.5 | 0 | 0 | 111.3 | C79 Y80 | E77-C79 PolarHBondContact O-N 3.05Å; E77-C79 VanDerWaalsContact O-N 3.07Å; E77-Y80 WeakPolarHBondContact O-CD1 3.42Å; E77-Y80 PolarHBondContact O-N 2.9Å |
| 78 | G | 69.2 | Low | 79.1 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 38% | 0.381 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | 65.8 | 8.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y59 Y80 | Y59-G78 VanDerWaalsContact OH-CA 3.26Å; Y59-G78 WeakPolarHBondContact OH-CA 3.48Å; G78-Y80 PolarHBondContact O-N 3.2Å |
| 79 | C | 78.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | 56.4 | 27.1 | -173.9 | -149.7 | 0 | 0 | 0 | 0 | 115.2 | Y59 C70 G76 E77 R81 I82 I83 | Y59-C79 HydrophobicContact CD2-CB 4.08Å; Y59-C79 HydrophobicContact CE2-CB 3.66Å; C70-C79 HydrophobicContact CB-CB 3.58Å; C70-C79 WeakPolarHBondContact CB-SG 3.41Å; C70-C79 WeakPolarHBondContact SG-CB 3.08Å; C70-C79 CovalentContact SG-SG 2.03Å; C70-C79 PolarHBondContact SG-SG 3.08Å; G76-C79 WeakPolarHBondContact O-CA 3.38Å; G76-C79 PolarHBondContact O-N 3.32Å; E77-C79 PolarHBondContact O-N 3.05Å; E77-C79 VanDerWaalsContact O-N 3.07Å; C79-R81 PolarHBondContact O-N 3.43Å; C79-I82 PolarHBondContact O-N 3.26Å; C79-I83 HydrophobicContact CB-CD1 4.14Å; C79-I83 HydrophobicContact CB-CG1 4.42Å; C79-I83 PolarHBondContact O-N 3.36Å |
| 80 | Y | 75.6 | Confident | 79.6 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.4 | -168.2 | 78.8 | -102.6 | 0 | 0 | 0 | 115 | E77 G78 I83 I86 E145 | E77-Y80 WeakPolarHBondContact O-CD1 3.42Å; E77-Y80 PolarHBondContact O-N 2.9Å; G78-Y80 PolarHBondContact O-N 3.2Å; Y80-I83 VanDerWaalsContact O-O 3.09Å; Y80-I86 HydrophobicContact CD2-CD1 3.72Å; Y80-I86 HydrophobicContact CE2-CD1 4.25Å; Y80-I86 WeakPolarHBondContact O-CB 3.5Å; Y80-E145 PolarHBondContact OH-OE2 3.36Å |
| 81 | R | 75.9 | Confident | 80 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 18% | 0.177 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -28 | 177.8 | -68 | 179.7 | 165.6 | 151 | 2.5 | 113 | G74 A75 C79 G87 Y139 E145 | G74-R81 PolarHBondContact O-NH1 3.06Å; A75-R81 HydrophobicContact CB-CB 4.41Å; A75-R81 VanDerWaalsContact O-CB 3.26Å; A75-R81 WeakPolarHBondContact O-CB 3.36Å; A75-R81 WeakPolarHBondContact O-CG 3.44Å; A75-R81 PolarHBondContact O-N 2.94Å; C79-R81 PolarHBondContact O-N 3.43Å; R81-G87 WeakPolarHBondContact O-CA 3.44Å; R81-G87 PolarHBondContact O-N 3.31Å; R81-Y139 WeakPolarHBondContact O-CE1 3.45Å; R81-E145 IonicContact CZ-OE1 2.75Å; R81-E145 VanDerWaalsContact CZ-OE1 3.29Å; R81-E145 IonicContact NE-OE1 4Å; R81-E145 PolarHBondContact NE-OE1 2.76Å; R81-E145 IonicContact NH2-OE1 3.29Å; R81-E145 PolarHBondContact NH2-OE1 3.14Å; R81-E145 IonicContact NH2-OE2 2.72Å; R81-E145 PolarHBondContact NH2-OE2 3.5Å |
| 82 | I | 79.2 | Confident | 80.5 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -34.2 | -174.6 | -64.6 | 176.7 | 0 | 0 | 0 | 111.3 | S49 L55 I73 A75 C79 Y139 | S49-I82 PolarHBondContact OG-O 3.43Å; L55-I82 HydrophobicContact CD2-CG2 3.72Å; I73-I82 HydrophobicContact CD1-CD1 3.49Å; I73-I82 VanDerWaalsContact CD1-CD1 3.49Å; I73-I82 HydrophobicContact CG1-CD1 4.38Å; A75-I82 HydrophobicContact CB-CD1 3.64Å; A75-I82 HydrophobicContact CB-CG1 3.95Å; C79-I82 PolarHBondContact O-N 3.26Å; I82-Y139 HydrophobicContact CG1-CD1 4.28Å; I82-Y139 HydrophobicContact CG1-CE1 3.81Å |
| 83 | I | 80.5 | Confident | 80.9 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -105.7 | 148.6 | -175.1 | -54.3 | -177.3 | 0 | 0 | 0 | 110.2 | S49 L55 Y59 C79 Y80 | S49-I83 CarbonylContact O-C 3.44Å; S49-I83 WeakPolarHBondContact O-CA 3.46Å; L55-I83 HydrophobicContact CD2-CG1 4.23Å; L55-I83 HydrophobicContact CG-CD1 4.33Å; L55-I83 HydrophobicContact CG-CG1 4.14Å; Y59-I83 VanDerWaalsContact CB-CD1 3.43Å; Y59-I83 HydrophobicContact CD1-CD1 4.32Å; Y59-I83 HydrophobicContact CD2-CD1 3.53Å; Y59-I83 HydrophobicContact CE2-CD1 4.42Å; Y59-I83 HydrophobicContact CG-CD1 3.49Å; Y59-I83 VanDerWaalsContact CG-CD1 3.49Å; C79-I83 HydrophobicContact CB-CD1 4.14Å; C79-I83 HydrophobicContact CB-CG1 4.42Å; C79-I83 PolarHBondContact O-N 3.36Å; Y80-I83 VanDerWaalsContact O-O 3.09Å |
| 84 | G | 77.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 78.9 | -163.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S49 I86 G87 V88 | S49-G84 PolarHBondContact O-N 2.89Å; G84-I86 PolarHBondContact O-N 3.09Å; G84-G87 PolarHBondContact O-N 2.93Å; G84-V88 PolarHBondContact O-N 3.48Å |
| 85 | Y | 78 | Confident | 82.5 | Confident | 63 Ų | 63 | 27.2 Ų | 27.2 | 25% | 0.247 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -29.6 | -173.9 | 64 | -88.1 | 0 | 0 | 0 | 113.8 | E51 V88 Y89 P861 | E51-Y85 WeakPolarHBondContact OE1-CD1 3.38Å; Y85-V88 WeakPolarHBondContact O-CB 3.49Å; Y85-V88 PolarHBondContact O-N 3.38Å; Y85-Y89 AromaticContact CD2-CD2 3.98Å; Y85-Y89 HydrophobicContact CD2-CD2 3.98Å; Y85-Y89 AromaticContact CD2-CE2 3.83Å; Y85-Y89 HydrophobicContact CD2-CE2 3.83Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.49Å; Y85-Y89 PolarHBondContact O-N 3.31Å; Y85-P861 HydrophobicContact CD1-CB 3.64Å; Y85-P861 HydrophobicContact CD2-CB 3.44Å; Y85-P861 VanDerWaalsContact CD2-CB 3.44Å; Y85-P861 HydrophobicContact CD2-CG 4.03Å; Y85-P861 HydrophobicContact CE1-CB 4.02Å; Y85-P861 HydrophobicContact CE2-CB 3.81Å; Y85-P861 HydrophobicContact CE2-CG 3.99Å; Y85-P861 HydrophobicContact CG-CB 3.34Å; Y85-P861 HydrophobicContact CG-CG 4.38Å |
| 86 | I | 82.6 | Confident | 83.4 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | -179.3 | -64.5 | 173.2 | 0 | 0 | 0 | 110.9 | Y80 G84 V88 Y89 R90 | Y80-I86 HydrophobicContact CD2-CD1 3.72Å; Y80-I86 HydrophobicContact CE2-CD1 4.25Å; Y80-I86 WeakPolarHBondContact O-CB 3.5Å; G84-I86 PolarHBondContact O-N 3.09Å; I86-V88 PolarHBondContact O-N 2.94Å; I86-Y89 PolarHBondContact O-N 2.85Å; I86-R90 WeakPolarHBondContact O-CG 3.31Å; I86-R90 PolarHBondContact O-N 3.46Å; I86-R90 VanDerWaalsContact O-N 3.1Å |
| 87 | G | 85.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S49 R81 G84 Y89 R90 I91 | S49-G87 WeakPolarHBondContact OG-CA 3.47Å; R81-G87 WeakPolarHBondContact O-CA 3.44Å; R81-G87 PolarHBondContact O-N 3.31Å; G84-G87 PolarHBondContact O-N 2.93Å; G87-Y89 PolarHBondContact O-N 3.46Å; G87-R90 PolarHBondContact O-N 3.49Å; G87-I91 WeakPolarHBondContact O-CD1 3.46Å; G87-I91 VanDerWaalsContact O-CG1 3.26Å; G87-I91 WeakPolarHBondContact O-CG1 3.42Å; G87-I91 PolarHBondContact O-N 3.5Å |
| 88 | V | 87.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | S46 G84 Y85 I86 R90 I91 C92 L855 T856 | S46-V88 WeakPolarHBondContact O-CG2 3.43Å; G84-V88 PolarHBondContact O-N 3.48Å; Y85-V88 WeakPolarHBondContact O-CB 3.49Å; Y85-V88 PolarHBondContact O-N 3.38Å; I86-V88 PolarHBondContact O-N 2.94Å; V88-R90 PolarHBondContact O-N 2.91Å; V88-I91 PolarHBondContact O-N 3.13Å; V88-C92 WeakPolarHBondContact O-CB 3.41Å; V88-C92 PolarHBondContact O-N 2.95Å; V88-C92 PolarHBondContact O-SG 3.29Å; V88-L855 HydrophobicContact CG1-CB 3.86Å; V88-L855 HydrophobicContact CG1-CD1 3.86Å; V88-T856 HydrophobicContact CB-CG2 4.07Å; V88-T856 HydrophobicContact CG1-CG2 3.75Å |
| 89 | Y | 88.6 | Confident | 87 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 2% | 0.024 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.7 | -79.8 | -62.9 | 0 | 0 | 0 | 112.5 | Y85 I86 G87 L93 T148 W151 M152 M852 T856 | Y85-Y89 AromaticContact CD2-CD2 3.98Å; Y85-Y89 HydrophobicContact CD2-CD2 3.98Å; Y85-Y89 AromaticContact CD2-CE2 3.83Å; Y85-Y89 HydrophobicContact CD2-CE2 3.83Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.49Å; Y85-Y89 PolarHBondContact O-N 3.31Å; I86-Y89 PolarHBondContact O-N 2.85Å; G87-Y89 PolarHBondContact O-N 3.46Å; Y89-L93 VanDerWaalsContact O-CB 3.27Å; Y89-L93 WeakPolarHBondContact O-CB 3.47Å; Y89-L93 PolarHBondContact O-N 3.41Å; Y89-T148 HydrophobicContact CD2-CG2 3.85Å; Y89-T148 HydrophobicContact CE2-CG2 4.15Å; Y89-T148 HydrophobicContact CG-CG2 4.2Å; Y89-W151 AromaticContact CD1-CD1 3.54Å; Y89-W151 AromaticContact CD1-NE1 3.92Å; Y89-W151 PolarHBondContact O-NE1 2.81Å; Y89-M152 HydrophobicContact CE1-CG 3.88Å; Y89-M152 HydrophobicContact CE2-CG 4.18Å; Y89-M152 WeakPolarHBondContact OH-CG 3.38Å; Y89-M852 HydrophobicContact CD1-CE 4.12Å; Y89-M852 HydrophobicContact CD1-CG 3.68Å; Y89-M852 HydrophobicContact CD1-SD 3.47Å; Y89-M852 WeakPolarHBondContact CD1-SD 3.44Å; Y89-M852 HydrophobicContact CE1-CE 4.05Å; Y89-M852 HydrophobicContact CE1-CG 3.75Å; Y89-M852 HydrophobicContact CE1-SD 3.89Å; Y89-T856 HydrophobicContact CD2-CG2 4.19Å; Y89-T856 HydrophobicContact CE1-CG2 4.18Å; Y89-T856 HydrophobicContact CE2-CG2 3.68Å; Y89-T856 WeakPolarHBondContact OH-CB 3.26Å; Y89-T856 PolarHBondContact OH-OG1 3.18Å |
| 90 | R | 89.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.3 | -41.6 | 178.6 | -66.2 | 179.9 | -166.7 | -98.6 | 6.1 | 112.3 | I86 G87 V88 S94 A138 Y139 F141 L144 E145 | I86-R90 WeakPolarHBondContact O-CG 3.31Å; I86-R90 PolarHBondContact O-N 3.46Å; I86-R90 VanDerWaalsContact O-N 3.1Å; G87-R90 PolarHBondContact O-N 3.49Å; V88-R90 PolarHBondContact O-N 2.91Å; R90-S94 PolarHBondContact O-N 3.02Å; R90-S94 PolarHBondContact O-OG 3.4Å; R90-A138 HydrophobicContact CB-CB 4.23Å; R90-A138 WeakPolarHBondContact CD-O 3.32Å; R90-A138 PolarHBondContact NH1-O 2.92Å; R90-Y139 HydrophobicContact CB-CE1 4.38Å; R90-F141 PolarHBondContact NH1-O 3.21Å; R90-L144 HydrophobicContact CG-CD2 3.89Å; R90-E145 IonicContact CZ-OE1 2.74Å; R90-E145 IonicContact NH2-OE1 3.72Å; R90-E145 PolarHBondContact NH2-OE1 3.43Å |
| 91 | I | 91.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.015 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.3 | -51.2 | 173.6 | -68.2 | 162.3 | 0 | 0 | 0 | 110.3 | I42 S46 G87 V88 S94 L95 W135 | I42-I91 HydrophobicContact CD1-CG2 4.36Å; I42-I91 HydrophobicContact CG2-CG2 3.68Å; S46-I91 VanDerWaalsContact OG-CG2 3.26Å; S46-I91 WeakPolarHBondContact OG-CG2 3.47Å; G87-I91 WeakPolarHBondContact O-CD1 3.46Å; G87-I91 VanDerWaalsContact O-CG1 3.26Å; G87-I91 WeakPolarHBondContact O-CG1 3.42Å; G87-I91 PolarHBondContact O-N 3.5Å; V88-I91 PolarHBondContact O-N 3.13Å; I91-S94 WeakPolarHBondContact O-CB 3.41Å; I91-S94 PolarHBondContact O-N 3Å; I91-L95 PolarHBondContact O-N 2.67Å; I91-W135 HydrophobicContact CD1-CZ2 4.18Å; I91-W135 HydrophobicContact CG1-CZ2 3.79Å; I91-W135 VanDerWaalsContact CG1-NE1 3.27Å |
| 92 | C | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.2 | -36.2 | -176.8 | -67.1 | 0 | 0 | 0 | 0 | 113 | V88 S94 L95 F96 T848 M852 | V88-C92 WeakPolarHBondContact O-CB 3.41Å; V88-C92 PolarHBondContact O-N 2.95Å; V88-C92 PolarHBondContact O-SG 3.29Å; C92-S94 PolarHBondContact O-N 3.26Å; C92-L95 PolarHBondContact O-N 3.34Å; C92-F96 WeakPolarHBondContact O-CB 3.39Å; C92-F96 PolarHBondContact O-N 3.11Å; C92-T848 HydrophobicContact CB-CG2 4.02Å; C92-T848 WeakPolarHBondContact O-CG2 3.41Å; C92-M852 HydrophobicContact CB-CB 3.82Å; C92-M852 HydrophobicContact CB-CG 3.82Å; C92-M852 HydrophobicContact CB-SD 3.64Å |
| 93 | L | 92.7 | Very high | 90.5 | Very high | 34 Ų | 34 | 18.2 Ų | 18.2 | 18% | 0.178 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.4 | -40.5 | 173.7 | 177.7 | 63.3 | 0 | 0 | 0 | 112.2 | Y89 F96 T97 L144 W151 | Y89-L93 VanDerWaalsContact O-CB 3.27Å; Y89-L93 WeakPolarHBondContact O-CB 3.47Å; Y89-L93 PolarHBondContact O-N 3.41Å; L93-F96 PolarHBondContact O-N 3.28Å; L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.44Å; L93-T97 PolarHBondContact O-N 2.81Å; L93-T97 PolarHBondContact O-OG1 3.44Å; L93-L144 HydrophobicContact CD2-CD1 3.75Å; L93-L144 HydrophobicContact CD2-CD2 3.58Å; L93-L144 HydrophobicContact CD2-CG 4.35Å; L93-W151 VanDerWaalsContact CA-CZ2 3.48Å; L93-W151 HydrophobicContact CB-CZ2 3.9Å; L93-W151 HydrophobicContact CD1-CD2 4.02Å; L93-W151 HydrophobicContact CD1-CE3 4.07Å; L93-W151 HydrophobicContact CD1-CH2 3.78Å; L93-W151 HydrophobicContact CD1-CZ2 3.7Å; L93-W151 HydrophobicContact CD1-CZ3 3.94Å; L93-W151 HydrophobicContact CG-CZ2 4.43Å |
| 94 | S | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 3% | 0.028 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.2 | -47.9 | -176.2 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | R90 I91 C92 T97 F98 L134 W135 | R90-S94 PolarHBondContact O-N 3.02Å; R90-S94 PolarHBondContact O-OG 3.4Å; I91-S94 WeakPolarHBondContact O-CB 3.41Å; I91-S94 PolarHBondContact O-N 3Å; C92-S94 PolarHBondContact O-N 3.26Å; S94-T97 PolarHBondContact O-N 3.5Å; S94-F98 PolarHBondContact O-N 2.83Å; S94-F98 VanDerWaalsContact O-N 3.08Å; S94-L134 PolarHBondContact OG-O 3.28Å; S94-W135 VanDerWaalsContact OG-CA 3.23Å; S94-W135 WeakPolarHBondContact OG-CA 3.37Å; S94-W135 PolarHBondContact OG-N 3.41Å |
| 95 | L | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 176.4 | -177.2 | 66.6 | 0 | 0 | 0 | 112.2 | I38 L39 I42 I91 C92 F98 H99 T848 | I38-L95 HydrophobicContact CG2-CD1 3.94Å; L39-L95 HydrophobicContact CD1-CD2 3.7Å; I42-L95 HydrophobicContact CB-CD2 3.96Å; I42-L95 HydrophobicContact CG1-CD2 4.14Å; I42-L95 HydrophobicContact CG2-CB 4.28Å; I42-L95 HydrophobicContact CG2-CD2 3.73Å; I91-L95 PolarHBondContact O-N 2.67Å; C92-L95 PolarHBondContact O-N 3.34Å; L95-F98 HydrophobicContact CD1-CD1 4.28Å; L95-F98 PolarHBondContact O-N 3.37Å; L95-H99 PolarHBondContact O-CD2 2.88Å; L95-H99 PolarHBondContact O-N 3.46Å; L95-T848 HydrophobicContact CB-CG2 3.96Å; L95-T848 HydrophobicContact CD2-CG2 4.11Å; L95-T848 HydrophobicContact CG-CG2 4.19Å |
| 96 | F | 95.4 | Very high | 92.7 | Very high | 37 Ų | 37 | 24.6 Ų | 24.6 | 16% | 0.162 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 174.1 | 170.6 | -94.8 | 0 | 0 | 0 | 111.4 | C92 L93 F98 H99 I100 W151 A845 T848 L849 | C92-F96 WeakPolarHBondContact O-CB 3.39Å; C92-F96 PolarHBondContact O-N 3.11Å; L93-F96 PolarHBondContact O-N 3.28Å; F96-F98 VanDerWaalsContact C-N 3.33Å; F96-F98 PolarHBondContact O-N 2.95Å; F96-H99 PolarHBondContact O-N 3.21Å; F96-H99 VanDerWaalsContact O-N 3.08Å; F96-I100 HydrophobicContact CD1-CG1 4.07Å; F96-I100 HydrophobicContact CD2-CG1 4.13Å; F96-I100 HydrophobicContact CE1-CG1 3.65Å; F96-I100 HydrophobicContact CE2-CD1 3.92Å; F96-I100 HydrophobicContact CE2-CG1 3.68Å; F96-I100 HydrophobicContact CG-CG1 4.32Å; F96-I100 HydrophobicContact CZ-CD1 3.91Å; F96-I100 HydrophobicContact CZ-CG1 3.45Å; F96-I100 VanDerWaalsContact CZ-CG1 3.45Å; F96-I100 WeakPolarHBondContact O-CG1 3.41Å; F96-I100 PolarHBondContact O-N 3.19Å; F96-W151 HydrophobicContact CB-CH2 3.92Å; F96-W151 HydrophobicContact CB-CZ2 4.29Å; F96-W151 AromaticContact CD1-CH2 3.41Å; F96-W151 HydrophobicContact CD1-CH2 3.41Å; F96-W151 VanDerWaalsContact CD1-CH2 3.41Å; F96-W151 HydrophobicContact CD1-CZ2 4.46Å; F96-W151 AromaticContact CD1-CZ3 3.93Å; F96-W151 HydrophobicContact CD1-CZ3 3.93Å; F96-W151 HydrophobicContact CD2-CH2 4.23Å; F96-W151 AromaticContact CE1-CH2 3.87Å; F96-W151 HydrophobicContact CE1-CH2 3.87Å; F96-W151 AromaticContact CE1-CZ3 3.94Å; F96-W151 HydrophobicContact CE1-CZ3 3.94Å; F96-W151 AromaticContact CG-CH2 3.59Å; F96-W151 HydrophobicContact CG-CH2 3.59Å; F96-W151 HydrophobicContact CG-CZ2 4.43Å; F96-W151 HydrophobicContact CG-CZ3 4.47Å; F96-W151 HydrophobicContact CZ-CH2 4.45Å; F96-A845 HydrophobicContact CD2-CB 3.76Å; F96-A845 HydrophobicContact CE2-CB 3.94Å; F96-T848 HydrophobicContact CB-CG2 4.22Å; F96-L849 HydrophobicContact CD2-CD1 3.93Å; F96-L849 HydrophobicContact CD2-CD2 3.85Å; F96-L849 HydrophobicContact CD2-CG 3.7Å; F96-L849 HydrophobicContact CE2-CD1 3.54Å; F96-L849 HydrophobicContact CE2-CD2 4.13Å; F96-L849 HydrophobicContact CE2-CG 3.87Å; F96-L849 HydrophobicContact CG-CD2 4.31Å; F96-L849 HydrophobicContact CZ-CD1 4.34Å |
| 97 | T | 95 | Very high | 92.9 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 28% | 0.276 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -59.6 | -44.9 | -179 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | L93 S94 H99 I100 L101 L134 | L93-T97 VanDerWaalsContact O-CB 3.29Å; L93-T97 WeakPolarHBondContact O-CB 3.44Å; L93-T97 PolarHBondContact O-N 2.81Å; L93-T97 PolarHBondContact O-OG1 3.44Å; S94-T97 PolarHBondContact O-N 3.5Å; T97-H99 PolarHBondContact O-N 3.13Å; T97-I100 PolarHBondContact O-N 2.75Å; T97-L101 HydrophobicContact CG2-CD1 4.04Å; T97-L101 HydrophobicContact CG2-CG 4.5Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 VanDerWaalsContact O-CG 3.29Å; T97-L101 WeakPolarHBondContact O-CG 3.31Å; T97-L101 PolarHBondContact O-N 2.88Å; T97-L134 HydrophobicContact CG2-CD1 4.25Å; T97-L134 HydrophobicContact CG2-CD2 4.23Å |
| 98 | F | 96.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.8 | -48.1 | 171.9 | 170.4 | -109.8 | 0 | 0 | 0 | 112.8 | Y35 S94 L95 F96 L101 M102 K127 F130 I131 L134 | Y35-F98 HydrophobicContact CD1-CE1 4.27Å; Y35-F98 AromaticContact CE1-CE1 3.8Å; Y35-F98 HydrophobicContact CE1-CE1 3.8Å; Y35-F98 AromaticContact CE1-CZ 3.85Å; Y35-F98 HydrophobicContact CE1-CZ 3.85Å; S94-F98 PolarHBondContact O-N 2.83Å; S94-F98 VanDerWaalsContact O-N 3.08Å; L95-F98 HydrophobicContact CD1-CD1 4.28Å; L95-F98 PolarHBondContact O-N 3.37Å; F96-F98 VanDerWaalsContact C-N 3.33Å; F96-F98 PolarHBondContact O-N 2.95Å; F98-L101 PolarHBondContact O-N 3.47Å; F98-M102 HydrophobicContact CD2-CG 4.01Å; F98-M102 HydrophobicContact CE1-CG 4.22Å; F98-M102 HydrophobicContact CE2-CG 3.51Å; F98-M102 HydrophobicContact CE2-SD 4.18Å; F98-M102 HydrophobicContact CZ-CG 3.63Å; F98-M102 HydrophobicContact CZ-SD 4.42Å; F98-M102 WeakPolarHBondContact O-CB 3.2Å; F98-M102 WeakPolarHBondContact O-CG 3.19Å; F98-M102 PolarHBondContact O-N 3.2Å; F98-K127 HydrophobicContact CE2-CB 4.44Å; F98-K127 HydrophobicContact CE2-CG 4.35Å; F98-K127 HydrophobicContact CZ-CB 4.32Å; F98-K127 HydrophobicContact CZ-CG 4.24Å; F98-F130 AromaticContact CD2-CD1 3.79Å; F98-F130 HydrophobicContact CD2-CD1 3.79Å; F98-F130 HydrophobicContact CD2-CE1 4.09Å; F98-F130 HydrophobicContact CE2-CD1 4.41Å; F98-I131 HydrophobicContact CB-CG1 4.01Å; F98-I131 HydrophobicContact CD1-CD1 3.73Å; F98-I131 HydrophobicContact CD1-CG1 3.85Å; F98-I131 HydrophobicContact CD2-CD1 4.4Å; F98-I131 HydrophobicContact CD2-CG1 3.93Å; F98-I131 HydrophobicContact CE1-CD1 3.8Å; F98-I131 HydrophobicContact CE1-CG1 4.31Å; F98-I131 HydrophobicContact CE2-CD1 4.43Å; F98-I131 HydrophobicContact CE2-CG1 4.36Å; F98-I131 HydrophobicContact CG-CD1 4.04Å; F98-I131 HydrophobicContact CG-CG1 3.63Å; F98-I131 HydrophobicContact CZ-CD1 4.14Å; F98-L134 HydrophobicContact CB-CD1 4.08Å |
| 99 | H | 96.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -31.9 | -179.1 | -87.1 | -83.2 | 0 | 0 | 0 | 113.7 | L95 F96 T97 T103 H841 Y844 A845 | L95-H99 PolarHBondContact O-CD2 2.88Å; L95-H99 PolarHBondContact O-N 3.46Å; F96-H99 PolarHBondContact O-N 3.21Å; F96-H99 VanDerWaalsContact O-N 3.08Å; T97-H99 PolarHBondContact O-N 3.13Å; H99-T103 WeakPolarHBondContact O-CB 3.49Å; H99-T103 PolarHBondContact O-N 3.37Å; H99-T103 PolarHBondContact O-OG1 2.94Å; H99-H841 AromaticContact CE1-ND1 3.59Å; H99-H841 AromaticContact ND1-CG 3.97Å; H99-H841 AromaticContact ND1-ND1 3.17Å; H99-H841 PolarHBondContact ND1-ND1 2.91Å; H99-H841 VanDerWaalsContact ND1-ND1 3.17Å; H99-Y844 WeakPolarHBondContact CE1-CB 3.4Å; H99-Y844 AromaticContact CE1-CD1 3.53Å; H99-Y844 AromaticContact CE1-CG 3.65Å; H99-Y844 WeakPolarHBondContact ND1-CB 3.46Å; H99-Y844 AromaticContact NE2-CD1 3.84Å; H99-A845 HydrophobicContact CB-CB 3.91Å |
| 100 | I | 96.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.2 | -45.1 | 172 | -68.3 | -59.6 | 0 | 0 | 0 | 111.2 | F96 T97 M102 T103 F104 A845 | F96-I100 HydrophobicContact CD1-CG1 4.07Å; F96-I100 HydrophobicContact CD2-CG1 4.13Å; F96-I100 HydrophobicContact CE1-CG1 3.65Å; F96-I100 HydrophobicContact CE2-CD1 3.92Å; F96-I100 HydrophobicContact CE2-CG1 3.68Å; F96-I100 HydrophobicContact CG-CG1 4.32Å; F96-I100 HydrophobicContact CZ-CD1 3.91Å; F96-I100 HydrophobicContact CZ-CG1 3.45Å; F96-I100 VanDerWaalsContact CZ-CG1 3.45Å; F96-I100 WeakPolarHBondContact O-CG1 3.41Å; F96-I100 PolarHBondContact O-N 3.19Å; T97-I100 PolarHBondContact O-N 2.75Å; I100-M102 PolarHBondContact O-N 2.8Å; I100-T103 WeakPolarHBondContact O-CA 3.25Å; I100-T103 VanDerWaalsContact O-CB 3.26Å; I100-T103 WeakPolarHBondContact O-CB 3.09Å; I100-T103 PolarHBondContact O-N 3.33Å; I100-T103 VanDerWaalsContact O-N 3.07Å; I100-F104 HydrophobicContact CG2-CD2 3.94Å; I100-F104 HydrophobicContact CG2-CE2 3.54Å; I100-F104 VanDerWaalsContact O-CD2 3.24Å; I100-F104 WeakPolarHBondContact O-CD2 3.25Å; I100-F104 PolarHBondContact O-N 3.49Å; I100-F104 VanDerWaalsContact O-N 3.1Å; I100-A845 HydrophobicContact CD1-CB 3.64Å; I100-A845 HydrophobicContact CG1-CB 4Å |
| 101 | L | 96.8 | Very high | 90.4 | Very high | 71 Ų | 71 | 36.9 Ų | 36.9 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 174.6 | -70.4 | 171 | 0 | 0 | 0 | 111.3 | T97 F98 T103 F104 L105 F130 | T97-L101 HydrophobicContact CG2-CD1 4.04Å; T97-L101 HydrophobicContact CG2-CG 4.5Å; T97-L101 WeakPolarHBondContact O-CB 3.28Å; T97-L101 VanDerWaalsContact O-CG 3.29Å; T97-L101 WeakPolarHBondContact O-CG 3.31Å; T97-L101 PolarHBondContact O-N 2.88Å; F98-L101 PolarHBondContact O-N 3.47Å; L101-T103 VanDerWaalsContact C-N 3.26Å; L101-T103 PolarHBondContact O-N 3.36Å; L101-F104 PolarHBondContact O-N 3.28Å; L101-L105 WeakPolarHBondContact O-CB 3Å; L101-L105 VanDerWaalsContact O-CG 3.27Å; L101-L105 WeakPolarHBondContact O-CG 3.21Å; L101-L105 PolarHBondContact O-N 3.14Å; L101-F130 HydrophobicContact CD1-CE1 3.96Å; L101-F130 HydrophobicContact CD1-CZ 3.75Å |
| 102 | M | 95.5 | Very high | 89.9 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -28.1 | 174.4 | -75.9 | -61.9 | -58.7 | 0 | 0 | 113.6 | F98 I100 L105 T106 I119 H841 | F98-M102 HydrophobicContact CD2-CG 4.01Å; F98-M102 HydrophobicContact CE1-CG 4.22Å; F98-M102 HydrophobicContact CE2-CG 3.51Å; F98-M102 HydrophobicContact CE2-SD 4.18Å; F98-M102 HydrophobicContact CZ-CG 3.63Å; F98-M102 HydrophobicContact CZ-SD 4.42Å; F98-M102 WeakPolarHBondContact O-CB 3.2Å; F98-M102 WeakPolarHBondContact O-CG 3.19Å; F98-M102 PolarHBondContact O-N 3.2Å; I100-M102 PolarHBondContact O-N 2.8Å; M102-L105 HydrophobicContact SD-CD1 4.23Å; M102-T106 HydrophobicContact CE-CG2 4.2Å; M102-T106 WeakPolarHBondContact O-CB 3.16Å; M102-T106 WeakPolarHBondContact O-CG2 3.26Å; M102-T106 PolarHBondContact O-N 3.15Å; M102-T106 PolarHBondContact O-OG1 3.1Å; M102-I119 HydrophobicContact CE-CG2 4.21Å; M102-I119 HydrophobicContact SD-CG2 4.15Å; M102-H841 HydrophobicContact CB-CB 4.27Å; M102-H841 WeakPolarHBondContact CB-ND1 3.38Å; M102-H841 WeakPolarHBondContact CE-NE2 3.29Å |
| 103 | T | 93.7 | Very high | 89.1 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -54.1 | 171.8 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | H99 I100 L101 T106 I107 P838 H841 F842 | H99-T103 WeakPolarHBondContact O-CB 3.49Å; H99-T103 PolarHBondContact O-N 3.37Å; H99-T103 PolarHBondContact O-OG1 2.94Å; I100-T103 WeakPolarHBondContact O-CA 3.25Å; I100-T103 VanDerWaalsContact O-CB 3.26Å; I100-T103 WeakPolarHBondContact O-CB 3.09Å; I100-T103 PolarHBondContact O-N 3.33Å; I100-T103 VanDerWaalsContact O-N 3.07Å; L101-T103 VanDerWaalsContact C-N 3.26Å; L101-T103 PolarHBondContact O-N 3.36Å; T103-T106 PolarHBondContact O-N 3.03Å; T103-T106 PolarHBondContact O-OG1 3.01Å; T103-I107 WeakPolarHBondContact O-CG1 3.2Å; T103-I107 PolarHBondContact O-N 3.37Å; T103-P838 HydrophobicContact CG2-CB 4.09Å; T103-P838 WeakPolarHBondContact O-CB 3.31Å; T103-H841 VanDerWaalsContact OG1-CB 3.3Å; T103-H841 WeakPolarHBondContact OG1-CB 3.15Å; T103-F842 HydrophobicContact CG2-CB 4.19Å; T103-F842 PolarHBondContact OG1-N 2.89Å; T103-F842 VanDerWaalsContact OG1-N 3.15Å |
| 104 | F | 95.8 | Very high | 88.6 | Confident | 133 Ų | 133 | 41.6 Ų | 41.6 | 58% | 0.583 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.8 | -45.9 | 177.1 | -68.3 | -66.2 | 0 | 0 | 0 | 112.3 | I100 L101 T106 I107 R116 | I100-F104 HydrophobicContact CG2-CD2 3.94Å; I100-F104 HydrophobicContact CG2-CE2 3.54Å; I100-F104 VanDerWaalsContact O-CD2 3.24Å; I100-F104 WeakPolarHBondContact O-CD2 3.25Å; I100-F104 PolarHBondContact O-N 3.49Å; I100-F104 VanDerWaalsContact O-N 3.1Å; L101-F104 PolarHBondContact O-N 3.28Å; F104-T106 PolarHBondContact O-N 3.46Å; F104-I107 HydrophobicContact CD1-CD1 3.79Å; F104-I107 PolarHBondContact O-N 3.16Å; F104-R116 PolarHBondContact O-NH2 3.35Å |
| 105 | L | 94.7 | Very high | 88.3 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 47% | 0.466 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -17.4 | 178.2 | -72.4 | 171.5 | 0 | 0 | 0 | 113.8 | L101 M102 R116 | L101-L105 WeakPolarHBondContact O-CB 3Å; L101-L105 VanDerWaalsContact O-CG 3.27Å; L101-L105 WeakPolarHBondContact O-CG 3.21Å; L101-L105 PolarHBondContact O-N 3.14Å; M102-L105 HydrophobicContact SD-CD1 4.23Å; L105-R116 VanDerWaalsContact C-NH2 3.35Å; L105-R116 VanDerWaalsContact O-CZ 3.25Å; L105-R116 PolarHBondContact O-NE 3.22Å; L105-R116 PolarHBondContact O-NH2 3.09Å |
| 106 | T | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -111.3 | 3.3 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 115.7 | M102 T103 F104 A108 V109 H120 Y837 P838 | M102-T106 HydrophobicContact CE-CG2 4.2Å; M102-T106 WeakPolarHBondContact O-CB 3.16Å; M102-T106 WeakPolarHBondContact O-CG2 3.26Å; M102-T106 PolarHBondContact O-N 3.15Å; M102-T106 PolarHBondContact O-OG1 3.1Å; T103-T106 PolarHBondContact O-N 3.03Å; T103-T106 PolarHBondContact O-OG1 3.01Å; F104-T106 PolarHBondContact O-N 3.46Å; T106-A108 PolarHBondContact O-N 3.06Å; T106-V109 WeakPolarHBondContact O-CB 3.18Å; T106-V109 WeakPolarHBondContact O-CG2 3.47Å; T106-V109 PolarHBondContact O-N 3.38Å; T106-V109 VanDerWaalsContact O-N 3.11Å; T106-H120 HydrophobicContact CG2-CB 4.18Å; T106-Y837 HydrophobicContact CG2-CD2 4.45Å; T106-P838 WeakPolarHBondContact O-CD 3.06Å; T106-P838 VanDerWaalsContact OG1-CA 3.29Å; T106-P838 WeakPolarHBondContact OG1-CA 3.4Å |
| 107 | I | 88.3 | Confident | 87.6 | Confident | 85 Ų | 85 | 51 Ų | 51 | 44% | 0.436 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 128.7 | 173.8 | -67.4 | 176.3 | 0 | 0 | 0 | 111.4 | T103 F104 V109 R116 P838 | T103-I107 WeakPolarHBondContact O-CG1 3.2Å; T103-I107 PolarHBondContact O-N 3.37Å; F104-I107 HydrophobicContact CD1-CD1 3.79Å; F104-I107 PolarHBondContact O-N 3.16Å; I107-V109 VanDerWaalsContact C-N 3.25Å; I107-V109 PolarHBondContact O-N 3.12Å; I107-R116 PolarHBondContact O-NH1 2.9Å; I107-R116 PolarHBondContact O-NH2 3.17Å; I107-P838 HydrophobicContact CG1-CB 4.33Å |
| 108 | A | 80.7 | Confident | 87.2 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 74% | 0.744 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 17.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T106 S110 | T106-A108 PolarHBondContact O-N 3.06Å; A108-S110 PolarHBondContact O-N 3.23Å; A108-S110 VanDerWaalsContact O-N 3.13Å |
| 109 | V | 80.4 | Confident | 86.9 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | trans | -69.4 | 109.8 | 172.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | T106 I107 R116 S833 Y837 | T106-V109 WeakPolarHBondContact O-CB 3.18Å; T106-V109 WeakPolarHBondContact O-CG2 3.47Å; T106-V109 PolarHBondContact O-N 3.38Å; T106-V109 VanDerWaalsContact O-N 3.11Å; I107-V109 VanDerWaalsContact C-N 3.25Å; I107-V109 PolarHBondContact O-N 3.12Å; V109-R116 HydrophobicContact CG2-CB 3.61Å; V109-S833 PolarHBondContact O-OG 3.49Å; V109-S833 VanDerWaalsContact O-OG 3.1Å; V109-Y837 HydrophobicContact CB-CD2 4.03Å; V109-Y837 HydrophobicContact CG1-CD2 3.6Å; V109-Y837 HydrophobicContact CG1-CE2 3.62Å | ||
| 110 | S | 68.8 | Low | 86.7 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 56% | 0.559 | 29% | 0.286 | S | S | * | . | trans | -95.2 | -16.3 | -176.6 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | A108 A832 S833 | A108-S110 PolarHBondContact O-N 3.23Å; A108-S110 VanDerWaalsContact O-N 3.13Å; S110-A832 CarbonylContact O-C 3.57Å; S110-A832 VanDerWaalsContact O-CA 3.23Å; S110-A832 WeakPolarHBondContact O-CA 3.49Å; S110-S833 PolarHBondContact O-N 3.22Å; S110-S833 PolarHBondContact O-OG 2.78Å | ||
| 111 | S | 67.9 | Low | 86.3 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 12% | 0.119 | 28% | 0.276 | C | S | . | . | trans | -150.4 | 144.8 | -177.6 | 155.2 | 0 | 0 | 0 | 0 | 110.8 | Q113 T114 A830 | S111-Q113 PolarHBondContact O-N 3.5Å; S111-Q113 PolarHBondContact OG-N 2.91Å; S111-Q113 VanDerWaalsContact OG-N 3.09Å; S111-T114 PolarHBondContact O-N 2.82Å; S111-T114 PolarHBondContact O-OG1 3.06Å; S111-A830 PolarHBondContact OG-O 3.14Å | ||
| 112 | S | 81.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18 | 176.1 | 67.6 | 0 | 0 | 0 | 0 | 114.6 | E27 T114 G117 K118 N121 E829 A830 | E27-S112 WeakPolarHBondContact OE1-CB 3.46Å; E27-S112 PolarHBondContact OE1-OG 3.44Å; E27-S112 PolarHBondContact OE2-OG 3.14Å; S112-T114 VanDerWaalsContact C-N 3.29Å; S112-T114 PolarHBondContact O-N 2.99Å; S112-G117 CarbonylContact O-C 3.53Å; S112-G117 VanDerWaalsContact O-C 3.29Å; S112-K118 PolarHBondContact O-N 3Å; S112-N121 VanDerWaalsContact CB-ND2 3.27Å; S112-N121 WeakPolarHBondContact CB-ND2 3.36Å; S112-E829 PolarHBondContact N-O 3.01Å; S112-E829 VanDerWaalsContact N-O 3.13Å; S112-E829 PolarHBondContact OG-O 3.44Å; S112-A830 WeakPolarHBondContact OG-CA 3.34Å; S112-A830 PolarHBondContact OG-N 3.28Å |
| 113 | Q | 75.4 | Confident | 85.5 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.1 | 179.6 | -61.8 | -55.2 | -50.3 | 0 | 0 | 113.4 | S111 K118 A830 | S111-Q113 PolarHBondContact O-N 3.5Å; S111-Q113 PolarHBondContact OG-N 2.91Å; S111-Q113 VanDerWaalsContact OG-N 3.09Å; Q113-K118 WeakPolarHBondContact O-CE 3.49Å; Q113-A830 HydrophobicContact CG-CB 3.79Å |
| 114 | T | 82.9 | Confident | 85.2 | Confident | 54 Ų | 54 | 52 Ų | 52 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -62.3 | 149.3 | 169 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | S111 S112 R116 G117 K118 | S111-T114 PolarHBondContact O-N 2.82Å; S111-T114 PolarHBondContact O-OG1 3.06Å; S112-T114 VanDerWaalsContact C-N 3.29Å; S112-T114 PolarHBondContact O-N 2.99Å; T114-R116 PolarHBondContact O-N 3.21Å; T114-G117 CarbonylContact O-C 3.35Å; T114-G117 WeakPolarHBondContact O-CA 3.45Å; T114-G117 PolarHBondContact O-N 3.13Å; T114-G117 PolarHBondContact OG1-N 3.36Å; T114-K118 PolarHBondContact O-N 2.84Å |
| 115 | F | 86.2 | Confident | 84.8 | Confident | 145 Ų | 145 | 47.7 Ų | 47.7 | 64% | 0.636 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -52.7 | -42.2 | 177.7 | 176.6 | -113.2 | 0 | 0 | 0 | 112.5 | G117 K118 I119 | F115-G117 VanDerWaalsContact C-N 3.35Å; F115-G117 PolarHBondContact O-N 3.25Å; F115-K118 WeakPolarHBondContact O-CB 3.4Å; F115-K118 PolarHBondContact O-N 3.01Å; F115-I119 HydrophobicContact CD1-CD1 4.02Å; F115-I119 HydrophobicContact CE1-CD1 3.57Å; F115-I119 HydrophobicContact CE2-CD1 4.38Å; F115-I119 HydrophobicContact CZ-CD1 3.78Å; F115-I119 HydrophobicContact CZ-CG1 4.45Å; F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 2.74Å |
| 116 | R | 89.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -33 | 176.4 | -62.1 | 168.7 | 69.6 | -150.6 | 2 | 112.6 | F104 L105 I107 V109 T114 H120 | F104-R116 PolarHBondContact O-NH2 3.35Å; L105-R116 VanDerWaalsContact C-NH2 3.35Å; L105-R116 VanDerWaalsContact O-CZ 3.25Å; L105-R116 PolarHBondContact O-NE 3.22Å; L105-R116 PolarHBondContact O-NH2 3.09Å; I107-R116 PolarHBondContact O-NH1 2.9Å; I107-R116 PolarHBondContact O-NH2 3.17Å; V109-R116 HydrophobicContact CG2-CB 3.61Å; T114-R116 PolarHBondContact O-N 3.21Å; R116-H120 PolarHBondContact O-N 2.67Å; R116-H120 VanDerWaalsContact O-N 3.11Å |
| 117 | G | 86.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S112 T114 F115 H120 N121 | S112-G117 CarbonylContact O-C 3.53Å; S112-G117 VanDerWaalsContact O-C 3.29Å; T114-G117 CarbonylContact O-C 3.35Å; T114-G117 WeakPolarHBondContact O-CA 3.45Å; T114-G117 PolarHBondContact O-N 3.13Å; T114-G117 PolarHBondContact OG1-N 3.36Å; F115-G117 VanDerWaalsContact C-N 3.35Å; F115-G117 PolarHBondContact O-N 3.25Å; G117-H120 WeakPolarHBondContact O-CB 3.43Å; G117-H120 PolarHBondContact O-N 3.29Å; G117-H120 VanDerWaalsContact O-N 3.12Å; G117-N121 PolarHBondContact O-N 3.41Å |
| 118 | K | 87.1 | Confident | 84.9 | Confident | 79 Ų | 79 | 50.5 Ų | 50.5 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 172.9 | -67.1 | -178.3 | 179.5 | -177.4 | 0 | 111.8 | A14 S112 Q113 T114 F115 H120 N121 G122 Y123 | A14-K118 HydrophobicContact CB-CB 4.29Å; A14-K118 HydrophobicContact CB-CD 4.3Å; S112-K118 PolarHBondContact O-N 3Å; Q113-K118 WeakPolarHBondContact O-CE 3.49Å; T114-K118 PolarHBondContact O-N 2.84Å; F115-K118 WeakPolarHBondContact O-CB 3.4Å; F115-K118 PolarHBondContact O-N 3.01Å; K118-H120 VanDerWaalsContact C-N 3.35Å; K118-N121 PolarHBondContact O-N 3.08Å; K118-G122 WeakPolarHBondContact O-CA 3.47Å; K118-G122 PolarHBondContact O-N 2.91Å; K118-Y123 HydrophobicContact CB-CE2 4.29Å |
| 119 | I | 91 | Very high | 85.5 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 23% | 0.226 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 169.8 | -68.3 | 170 | 0 | 0 | 0 | 111 | M102 F115 K127 | M102-I119 HydrophobicContact CE-CG2 4.21Å; M102-I119 HydrophobicContact SD-CG2 4.15Å; F115-I119 HydrophobicContact CD1-CD1 4.02Å; F115-I119 HydrophobicContact CE1-CD1 3.57Å; F115-I119 HydrophobicContact CE2-CD1 4.38Å; F115-I119 HydrophobicContact CZ-CD1 3.78Å; F115-I119 HydrophobicContact CZ-CG1 4.45Å; F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 2.74Å; I119-K127 WeakPolarHBondContact O-CE 3.25Å; I119-K127 PolarHBondContact O-NZ 2.97Å |
| 120 | H | 91.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.7 | -176.8 | 63.4 | 0 | 0 | 0 | 112.6 | T31 Y35 T106 R116 G117 K118 K127 Y835 Y837 F840 H841 | T31-H120 WeakPolarHBondContact CG2-O 3.5Å; Y35-H120 AromaticContact CE2-CE1 3.87Å; Y35-H120 PolarHBondContact OH-O 3.16Å; Y35-H120 VanDerWaalsContact OH-O 3.12Å; T106-H120 HydrophobicContact CG2-CB 4.18Å; R116-H120 PolarHBondContact O-N 2.67Å; R116-H120 VanDerWaalsContact O-N 3.11Å; G117-H120 WeakPolarHBondContact O-CB 3.43Å; G117-H120 PolarHBondContact O-N 3.29Å; G117-H120 VanDerWaalsContact O-N 3.12Å; K118-H120 VanDerWaalsContact C-N 3.35Å; H120-K127 PolarHBondContact O-NZ 2.99Å; H120-Y835 AromaticContact NE2-CZ 3.65Å; H120-Y835 PolarHBondContact NE2-OH 3.03Å; H120-Y837 HydrophobicContact CB-CD2 3.93Å; H120-Y837 HydrophobicContact CB-CE2 4.07Å; H120-Y837 AromaticContact CD2-CD1 3.53Å; H120-Y837 AromaticContact CD2-CD2 3.51Å; H120-Y837 AromaticContact CD2-CE1 3.55Å; H120-Y837 AromaticContact CD2-CE2 3.53Å; H120-Y837 AromaticContact CD2-CG 3.51Å; H120-Y837 AromaticContact CD2-CZ 3.53Å; H120-Y837 AromaticContact CG-CD2 3.72Å; H120-Y837 AromaticContact CG-CG 3.92Å; H120-Y837 AromaticContact NE2-CD1 3.49Å; H120-Y837 WeakPolarHBondContact NE2-CD1 3.15Å; H120-Y837 AromaticContact NE2-CE1 3.77Å; H120-Y837 AromaticContact NE2-CG 3.73Å; H120-F840 AromaticContact CE1-CD1 3.93Å; H120-H841 AromaticContact CE1-CD2 3.84Å; H120-H841 AromaticContact CE1-NE2 3.24Å; H120-H841 PolarHBondContact CE1-NE2 3.26Å; H120-H841 AromaticContact ND1-CD2 3.68Å; H120-H841 AromaticContact ND1-CE1 3.94Å; H120-H841 AromaticContact ND1-NE2 2.87Å; H120-H841 PolarHBondContact ND1-NE2 2.91Å |
| 121 | N | 87.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -95.2 | -24.8 | -170.3 | -69.5 | -12.4 | 0 | 0 | 0 | 116.1 | P16 E27 T31 S112 G117 K118 W124 Y837 | P16-N121 WeakPolarHBondContact CA-O 3.49Å; P16-N121 HydrophobicContact CB-CB 4.4Å; E27-N121 HydrophobicContact CG-CB 4.29Å; E27-N121 VanDerWaalsContact CG-ND2 3.26Å; E27-N121 WeakPolarHBondContact CG-ND2 3.26Å; E27-N121 PolarHBondContact OE1-ND2 2.9Å; T31-N121 WeakPolarHBondContact CG2-OD1 3.19Å; T31-N121 PolarHBondContact OG1-OD1 3.26Å; S112-N121 VanDerWaalsContact CB-ND2 3.27Å; S112-N121 WeakPolarHBondContact CB-ND2 3.36Å; G117-N121 PolarHBondContact O-N 3.41Å; K118-N121 PolarHBondContact O-N 3.08Å; N121-W124 VanDerWaalsContact O-CE2 3.31Å; N121-W124 VanDerWaalsContact O-CZ2 3.28Å; N121-W124 WeakPolarHBondContact O-CZ2 3.3Å; N121-W124 PolarHBondContact O-NE1 3.42Å; N121-Y837 PolarHBondContact ND2-OH 2.67Å |
| 122 | G | 86.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -115.5 | -154.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K118 W124 K127 | K118-G122 WeakPolarHBondContact O-CA 3.47Å; K118-G122 PolarHBondContact O-N 2.91Å; G122-W124 VanDerWaalsContact C-N 3.3Å; G122-W124 PolarHBondContact O-N 3.2Å; G122-K127 WeakPolarHBondContact O-CE 3.2Å; G122-K127 PolarHBondContact O-NZ 2.79Å |
| 123 | Y | 89 | Confident | 89.3 | Confident | 71 Ų | 71 | 57.1 Ų | 57.1 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | trans | 52.4 | 41.2 | 172.8 | -58.2 | -81.3 | 0 | 0 | 0 | 114.2 | G11 F12 G13 A14 K118 L125 W126 K127 | G11-Y123 CarbonylContact O-C 3.55Å; F12-Y123 VanDerWaalsContact O-CD1 3.26Å; F12-Y123 WeakPolarHBondContact O-CD1 3.41Å; G13-Y123 WeakPolarHBondContact O-CA 3.37Å; G13-Y123 PolarHBondContact O-N 3.39Å; A14-Y123 HydrophobicContact CB-CD2 4.42Å; A14-Y123 HydrophobicContact CB-CE2 3.67Å; K118-Y123 HydrophobicContact CB-CE2 4.29Å; Y123-L125 PolarHBondContact O-N 2.75Å; Y123-W126 PolarHBondContact O-N 3.24Å; Y123-K127 WeakPolarHBondContact O-CG 3.28Å; Y123-K127 PolarHBondContact O-N 3.45Å; Y123-K127 VanDerWaalsContact O-N 3.11Å | ||
| 124 | W | 88.1 | Confident | 90.3 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 6% | 0.057 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -39.7 | -170.8 | -69.5 | 102.8 | 0 | 0 | 0 | 113.9 | G11 F18 T31 A34 Y35 N121 G122 K127 V128 | G11-W124 PolarHBondContact O-N 2.98Å; G11-W124 VanDerWaalsContact O-N 3.12Å; F18-W124 HydrophobicContact CD2-CD2 4.37Å; F18-W124 HydrophobicContact CD2-CE3 4.48Å; T31-W124 HydrophobicContact CG2-CH2 3.88Å; T31-W124 HydrophobicContact CG2-CZ2 3.91Å; T31-W124 WeakPolarHBondContact O-CH2 3.28Å; A34-W124 HydrophobicContact CB-CD2 4.31Å; A34-W124 HydrophobicContact CB-CE3 3.85Å; A34-W124 HydrophobicContact CB-CH2 3.53Å; A34-W124 HydrophobicContact CB-CZ2 4.02Å; A34-W124 HydrophobicContact CB-CZ3 3.44Å; A34-W124 VanDerWaalsContact CB-CZ3 3.44Å; Y35-W124 HydrophobicContact CD1-CZ3 4.22Å; Y35-W124 HydrophobicContact CD2-CH2 4.01Å; Y35-W124 HydrophobicContact CD2-CZ3 4.43Å; Y35-W124 HydrophobicContact CE1-CH2 4.23Å; Y35-W124 AromaticContact CE1-CZ3 3.89Å; Y35-W124 HydrophobicContact CE1-CZ3 3.89Å; Y35-W124 AromaticContact CE2-CH2 3.64Å; Y35-W124 HydrophobicContact CE2-CH2 3.64Å; Y35-W124 HydrophobicContact CE2-CZ3 4.15Å; Y35-W124 HydrophobicContact CG-CH2 4.47Å; Y35-W124 HydrophobicContact CG-CZ3 4.46Å; Y35-W124 AromaticContact CZ-CH2 3.74Å; Y35-W124 AromaticContact CZ-CZ3 3.85Å; N121-W124 VanDerWaalsContact O-CE2 3.31Å; N121-W124 VanDerWaalsContact O-CZ2 3.28Å; N121-W124 WeakPolarHBondContact O-CZ2 3.3Å; N121-W124 PolarHBondContact O-NE1 3.42Å; G122-W124 VanDerWaalsContact C-N 3.3Å; G122-W124 PolarHBondContact O-N 3.2Å; W124-K127 HydrophobicContact CD2-CD 4.39Å; W124-K127 HydrophobicContact CE3-CD 3.78Å; W124-K127 HydrophobicContact CZ3-CD 3.89Å; W124-K127 PolarHBondContact O-N 3.1Å; W124-V128 WeakPolarHBondContact O-CG2 3.45Å; W124-V128 PolarHBondContact O-N 3.13Å; W124-V128 VanDerWaalsContact O-N 3.12Å |
| 125 | L | 87.8 | Confident | 90.6 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 177.2 | 172.3 | 145.6 | 0 | 0 | 0 | 111.4 | G11 F12 Y123 K127 V128 F129 | G11-L125 VanDerWaalsContact O-CB 3.31Å; G11-L125 WeakPolarHBondContact O-CB 3.29Å; G11-L125 PolarHBondContact O-N 3.36Å; F12-L125 HydrophobicContact CD1-CD1 4.33Å; F12-L125 HydrophobicContact CD1-CD2 3.61Å; F12-L125 HydrophobicContact CD2-CD1 4.08Å; F12-L125 HydrophobicContact CE1-CD1 3.89Å; F12-L125 HydrophobicContact CE1-CD2 3.41Å; F12-L125 VanDerWaalsContact CE1-CD2 3.41Å; F12-L125 HydrophobicContact CE1-CG 4.3Å; F12-L125 HydrophobicContact CE2-CD1 3.6Å; F12-L125 HydrophobicContact CG-CD1 4.41Å; F12-L125 HydrophobicContact CG-CD2 4.28Å; F12-L125 HydrophobicContact CZ-CD1 3.49Å; F12-L125 VanDerWaalsContact CZ-CD1 3.49Å; F12-L125 HydrophobicContact CZ-CD2 3.95Å; F12-L125 HydrophobicContact CZ-CG 4.39Å; Y123-L125 PolarHBondContact O-N 2.75Å; L125-K127 VanDerWaalsContact C-N 3.35Å; L125-K127 PolarHBondContact O-N 3.34Å; L125-V128 PolarHBondContact O-N 3.31Å; L125-F129 HydrophobicContact CD1-CE2 4.11Å; L125-F129 HydrophobicContact CD2-CD2 3.56Å; L125-F129 HydrophobicContact CD2-CE2 3.62Å; L125-F129 HydrophobicContact CG-CD2 3.76Å; L125-F129 HydrophobicContact CG-CE2 3.65Å; L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 PolarHBondContact O-N 2.98Å |
| 126 | W | 90.3 | Very high | 90.8 | Very high | 146 Ų | 146 | 54.3 Ų | 54.3 | 55% | 0.553 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -65.2 | -36.2 | 178.2 | -66.8 | 109 | 0 | 0 | 0 | 112.7 | F12 Y123 F130 | F12-W126 HydrophobicContact CD1-CZ2 4.22Å; F12-W126 AromaticContact CD1-NE1 3.92Å; F12-W126 HydrophobicContact CE1-CZ2 4.47Å; Y123-W126 PolarHBondContact O-N 3.24Å; W126-F130 VanDerWaalsContact O-CB 3.29Å; W126-F130 WeakPolarHBondContact O-CB 3.4Å; W126-F130 PolarHBondContact O-N 2.88Å |
| 127 | K | 93.5 | Very high | 90.7 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 171.2 | -69.3 | 164.5 | 178.6 | 164.6 | 0 | 112 | Y35 F98 I119 H120 G122 Y123 W124 L125 F130 I131 | Y35-K127 HydrophobicContact CE1-CD 4.4Å; Y35-K127 WeakPolarHBondContact OH-CE 3.16Å; Y35-K127 PolarHBondContact OH-NZ 3.38Å; Y35-K127 VanDerWaalsContact OH-NZ 3.07Å; F98-K127 HydrophobicContact CE2-CB 4.44Å; F98-K127 HydrophobicContact CE2-CG 4.35Å; F98-K127 HydrophobicContact CZ-CB 4.32Å; F98-K127 HydrophobicContact CZ-CG 4.24Å; I119-K127 WeakPolarHBondContact O-CE 3.25Å; I119-K127 PolarHBondContact O-NZ 2.97Å; H120-K127 PolarHBondContact O-NZ 2.99Å; G122-K127 WeakPolarHBondContact O-CE 3.2Å; G122-K127 PolarHBondContact O-NZ 2.79Å; Y123-K127 WeakPolarHBondContact O-CG 3.28Å; Y123-K127 PolarHBondContact O-N 3.45Å; Y123-K127 VanDerWaalsContact O-N 3.11Å; W124-K127 HydrophobicContact CD2-CD 4.39Å; W124-K127 HydrophobicContact CE3-CD 3.78Å; W124-K127 HydrophobicContact CZ3-CD 3.89Å; W124-K127 PolarHBondContact O-N 3.1Å; L125-K127 VanDerWaalsContact C-N 3.35Å; L125-K127 PolarHBondContact O-N 3.34Å; K127-F130 PolarHBondContact O-N 3.36Å; K127-I131 WeakPolarHBondContact O-CD1 2.87Å; K127-I131 VanDerWaalsContact O-CG1 3.26Å; K127-I131 WeakPolarHBondContact O-CG1 2.96Å; K127-I131 PolarHBondContact O-N 3.11Å |
| 128 | V | 92 | Very high | 90.8 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -47.8 | 178.7 | 172 | 0 | 0 | 0 | 0 | 110.5 | W124 L125 F130 I131 V132 | W124-V128 WeakPolarHBondContact O-CG2 3.45Å; W124-V128 PolarHBondContact O-N 3.13Å; W124-V128 VanDerWaalsContact O-N 3.12Å; L125-V128 PolarHBondContact O-N 3.31Å; V128-F130 VanDerWaalsContact C-N 3.3Å; V128-F130 PolarHBondContact O-N 3.48Å; V128-I131 PolarHBondContact O-N 2.85Å; V128-V132 HydrophobicContact CG1-CG2 4.42Å; V128-V132 WeakPolarHBondContact O-CB 3.48Å; V128-V132 WeakPolarHBondContact O-CG2 3.02Å; V128-V132 PolarHBondContact O-N 3.1Å |
| 129 | F | 93.7 | Very high | 90.5 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 54% | 0.544 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 174.4 | -83.5 | -64.4 | 0 | 0 | 0 | 112.7 | L125 V132 S133 | L125-F129 HydrophobicContact CD1-CE2 4.11Å; L125-F129 HydrophobicContact CD2-CD2 3.56Å; L125-F129 HydrophobicContact CD2-CE2 3.62Å; L125-F129 HydrophobicContact CG-CD2 3.76Å; L125-F129 HydrophobicContact CG-CE2 3.65Å; L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 PolarHBondContact O-N 2.98Å; F129-V132 PolarHBondContact O-N 3.31Å; F129-S133 VanDerWaalsContact O-CB 3.22Å; F129-S133 WeakPolarHBondContact O-CB 3.28Å; F129-S133 PolarHBondContact O-N 3.4Å |
| 130 | F | 95.3 | Very high | 90 | Very high | 91 Ų | 91 | 58.4 Ų | 58.4 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 177.1 | -176.2 | -103.7 | 0 | 0 | 0 | 112.8 | F98 L101 W126 K127 V128 S133 L134 | F98-F130 AromaticContact CD2-CD1 3.79Å; F98-F130 HydrophobicContact CD2-CD1 3.79Å; F98-F130 HydrophobicContact CD2-CE1 4.09Å; F98-F130 HydrophobicContact CE2-CD1 4.41Å; L101-F130 HydrophobicContact CD1-CE1 3.96Å; L101-F130 HydrophobicContact CD1-CZ 3.75Å; W126-F130 VanDerWaalsContact O-CB 3.29Å; W126-F130 WeakPolarHBondContact O-CB 3.4Å; W126-F130 PolarHBondContact O-N 2.88Å; K127-F130 PolarHBondContact O-N 3.36Å; V128-F130 VanDerWaalsContact C-N 3.3Å; V128-F130 PolarHBondContact O-N 3.48Å; F130-S133 PolarHBondContact O-N 3.03Å; F130-L134 HydrophobicContact CD1-CD1 4.01Å; F130-L134 HydrophobicContact CE1-CD1 3.55Å; F130-L134 HydrophobicContact CE1-CG 4.16Å; F130-L134 HydrophobicContact CZ-CD1 4.01Å; F130-L134 HydrophobicContact CZ-CD2 4.36Å; F130-L134 HydrophobicContact CZ-CG 4.22Å; F130-L134 WeakPolarHBondContact O-CG 3.46Å; F130-L134 PolarHBondContact O-N 3.19Å |
| 131 | I | 95.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.1 | -67.7 | 162.3 | 0 | 0 | 0 | 110.9 | I38 F98 K127 V128 L134 W135 | I38-I131 HydrophobicContact CD1-CD1 4.45Å; I38-I131 HydrophobicContact CG2-CD1 4.02Å; F98-I131 HydrophobicContact CB-CG1 4.01Å; F98-I131 HydrophobicContact CD1-CD1 3.73Å; F98-I131 HydrophobicContact CD1-CG1 3.85Å; F98-I131 HydrophobicContact CD2-CD1 4.4Å; F98-I131 HydrophobicContact CD2-CG1 3.93Å; F98-I131 HydrophobicContact CE1-CD1 3.8Å; F98-I131 HydrophobicContact CE1-CG1 4.31Å; F98-I131 HydrophobicContact CE2-CD1 4.43Å; F98-I131 HydrophobicContact CE2-CG1 4.36Å; F98-I131 HydrophobicContact CG-CD1 4.04Å; F98-I131 HydrophobicContact CG-CG1 3.63Å; F98-I131 HydrophobicContact CZ-CD1 4.14Å; K127-I131 WeakPolarHBondContact O-CD1 2.87Å; K127-I131 VanDerWaalsContact O-CG1 3.26Å; K127-I131 WeakPolarHBondContact O-CG1 2.96Å; K127-I131 PolarHBondContact O-N 3.11Å; V128-I131 PolarHBondContact O-N 2.85Å; I131-L134 PolarHBondContact O-N 3.11Å; I131-W135 PolarHBondContact O-N 3.26Å |
| 132 | V | 93.6 | Very high | 88.8 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | V128 F129 W135 F136 | V128-V132 HydrophobicContact CG1-CG2 4.42Å; V128-V132 WeakPolarHBondContact O-CB 3.48Å; V128-V132 WeakPolarHBondContact O-CG2 3.02Å; V128-V132 PolarHBondContact O-N 3.1Å; F129-V132 PolarHBondContact O-N 3.31Å; V132-W135 WeakPolarHBondContact O-CB 3.45Å; V132-W135 PolarHBondContact O-N 3.31Å; V132-F136 HydrophobicContact CG1-CD2 3.74Å; V132-F136 HydrophobicContact CG1-CE2 3.57Å; V132-F136 VanDerWaalsContact O-CD2 3.31Å; V132-F136 WeakPolarHBondContact O-CD2 3.42Å; V132-F136 PolarHBondContact O-N 2.69Å |
| 133 | S | 94.1 | Very high | 88.2 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | F129 F130 W135 F136 T137 | F129-S133 VanDerWaalsContact O-CB 3.22Å; F129-S133 WeakPolarHBondContact O-CB 3.28Å; F129-S133 PolarHBondContact O-N 3.4Å; F130-S133 PolarHBondContact O-N 3.03Å; S133-W135 PolarHBondContact O-N 2.86Å; S133-F136 PolarHBondContact O-N 3.49Å; S133-T137 PolarHBondContact O-N 3.14Å; S133-T137 PolarHBondContact O-OG1 3.28Å; S133-T137 VanDerWaalsContact O-OG1 3.07Å |
| 134 | L | 94.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.3 | -37.8 | 172.9 | -74.3 | 174.6 | 0 | 0 | 0 | 111.9 | S94 T97 F98 F130 I131 T137 A138 | S94-L134 PolarHBondContact OG-O 3.28Å; T97-L134 HydrophobicContact CG2-CD1 4.25Å; T97-L134 HydrophobicContact CG2-CD2 4.23Å; F98-L134 HydrophobicContact CB-CD1 4.08Å; F130-L134 HydrophobicContact CD1-CD1 4.01Å; F130-L134 HydrophobicContact CE1-CD1 3.55Å; F130-L134 HydrophobicContact CE1-CG 4.16Å; F130-L134 HydrophobicContact CZ-CD1 4.01Å; F130-L134 HydrophobicContact CZ-CD2 4.36Å; F130-L134 HydrophobicContact CZ-CG 4.22Å; F130-L134 WeakPolarHBondContact O-CG 3.46Å; F130-L134 PolarHBondContact O-N 3.19Å; I131-L134 PolarHBondContact O-N 3.11Å; L134-T137 PolarHBondContact O-N 2.89Å; L134-A138 WeakPolarHBondContact O-CB 3.23Å; L134-A138 PolarHBondContact O-N 3.15Å |
| 135 | W | 90.6 | Very high | 86.8 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 178.6 | -172.5 | 24.7 | 0 | 0 | 0 | 113.1 | I91 S94 I131 V132 S133 A138 Y139 | I91-W135 HydrophobicContact CD1-CZ2 4.18Å; I91-W135 HydrophobicContact CG1-CZ2 3.79Å; I91-W135 VanDerWaalsContact CG1-NE1 3.27Å; S94-W135 VanDerWaalsContact OG-CA 3.23Å; S94-W135 WeakPolarHBondContact OG-CA 3.37Å; S94-W135 PolarHBondContact OG-N 3.41Å; I131-W135 PolarHBondContact O-N 3.26Å; V132-W135 WeakPolarHBondContact O-CB 3.45Å; V132-W135 PolarHBondContact O-N 3.31Å; S133-W135 PolarHBondContact O-N 2.86Å; W135-A138 PolarHBondContact O-N 2.9Å; W135-Y139 AromaticContact CD1-CE2 3.52Å; W135-Y139 HydrophobicContact CD2-CE2 4.34Å; W135-Y139 AromaticContact CE2-CE2 3.68Å; W135-Y139 HydrophobicContact CG-CE2 4.25Å; W135-Y139 HydrophobicContact CZ2-CE2 4.25Å; W135-Y139 AromaticContact NE1-CE2 3.11Å; W135-Y139 AromaticContact NE1-CZ 3.33Å; W135-Y139 VanDerWaalsContact NE1-CZ 3.33Å; W135-Y139 PolarHBondContact NE1-OH 3.17Å; W135-Y139 VanDerWaalsContact O-CD2 3.24Å; W135-Y139 WeakPolarHBondContact O-CD2 2.99Å; W135-Y139 PolarHBondContact O-N 2.96Å |
| 136 | F | 89.4 | Confident | 86.2 | Confident | 123 Ų | 123 | 75.2 Ų | 75.2 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 170.2 | -80.8 | -68.9 | 0 | 0 | 0 | 111.9 | V132 S133 A138 Y139 F140 | V132-F136 HydrophobicContact CG1-CD2 3.74Å; V132-F136 HydrophobicContact CG1-CE2 3.57Å; V132-F136 VanDerWaalsContact O-CD2 3.31Å; V132-F136 WeakPolarHBondContact O-CD2 3.42Å; V132-F136 PolarHBondContact O-N 2.69Å; S133-F136 PolarHBondContact O-N 3.49Å; F136-A138 PolarHBondContact O-N 3.21Å; F136-Y139 WeakPolarHBondContact O-CB 3.44Å; F136-Y139 PolarHBondContact O-N 3.2Å; F136-F140 HydrophobicContact CB-CE2 4.32Å; F136-F140 WeakPolarHBondContact O-CD2 3.38Å; F136-F140 PolarHBondContact O-N 3.42Å; F136-F140 VanDerWaalsContact O-N 3.13Å |
| 137 | T | 88.6 | Confident | 85.8 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.6 | -36.3 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 112 | S133 L134 Y139 F140 F141 | S133-T137 PolarHBondContact O-N 3.14Å; S133-T137 PolarHBondContact O-OG1 3.28Å; S133-T137 VanDerWaalsContact O-OG1 3.07Å; L134-T137 PolarHBondContact O-N 2.89Å; T137-Y139 PolarHBondContact O-N 3.28Å; T137-F140 PolarHBondContact O-N 2.86Å; T137-F141 PolarHBondContact O-N 3.4Å |
| 138 | A | 87.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -20.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R90 L134 W135 F136 | R90-A138 HydrophobicContact CB-CB 4.23Å; R90-A138 WeakPolarHBondContact CD-O 3.32Å; R90-A138 PolarHBondContact NH1-O 2.92Å; L134-A138 WeakPolarHBondContact O-CB 3.23Å; L134-A138 PolarHBondContact O-N 3.15Å; W135-A138 PolarHBondContact O-N 2.9Å; F136-A138 PolarHBondContact O-N 3.21Å |
| 139 | Y | 80.6 | Confident | 84.4 | Confident | 45 Ų | 45 | 76 Ų | 76 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -83.3 | -44.4 | 168.9 | -71.4 | -64 | 0 | 0 | 0 | 112.7 | R81 I82 R90 W135 F136 T137 F141 | R81-Y139 WeakPolarHBondContact O-CE1 3.45Å; I82-Y139 HydrophobicContact CG1-CD1 4.28Å; I82-Y139 HydrophobicContact CG1-CE1 3.81Å; R90-Y139 HydrophobicContact CB-CE1 4.38Å; W135-Y139 AromaticContact CD1-CE2 3.52Å; W135-Y139 HydrophobicContact CD2-CE2 4.34Å; W135-Y139 AromaticContact CE2-CE2 3.68Å; W135-Y139 HydrophobicContact CG-CE2 4.25Å; W135-Y139 HydrophobicContact CZ2-CE2 4.25Å; W135-Y139 AromaticContact NE1-CE2 3.11Å; W135-Y139 AromaticContact NE1-CZ 3.33Å; W135-Y139 VanDerWaalsContact NE1-CZ 3.33Å; W135-Y139 PolarHBondContact NE1-OH 3.17Å; W135-Y139 VanDerWaalsContact O-CD2 3.24Å; W135-Y139 WeakPolarHBondContact O-CD2 2.99Å; W135-Y139 PolarHBondContact O-N 2.96Å; F136-Y139 WeakPolarHBondContact O-CB 3.44Å; F136-Y139 PolarHBondContact O-N 3.2Å; T137-Y139 PolarHBondContact O-N 3.28Å; Y139-F141 PolarHBondContact O-N 3.13Å; Y139-F141 VanDerWaalsContact O-N 3.07Å |
| 140 | F | 81.3 | Confident | 84.1 | Confident | 162 Ų | 162 | 74.1 Ų | 74.1 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.3 | -11.5 | -178.7 | -72.6 | -65.8 | 0 | 0 | 0 | 114.7 | F136 T137 P142 | F136-F140 HydrophobicContact CB-CE2 4.32Å; F136-F140 WeakPolarHBondContact O-CD2 3.38Å; F136-F140 PolarHBondContact O-N 3.42Å; F136-F140 VanDerWaalsContact O-N 3.13Å; T137-F140 PolarHBondContact O-N 2.86Å; F140-P142 WeakPolarHBondContact O-CD 3.16Å |
| 141 | F | 80.8 | Confident | 83.7 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | trans | -97.9 | 99.6 | 178.5 | -155.1 | -116.6 | 0 | 0 | 0 | 111.8 | R90 T137 Y139 Y143 L144 | R90-F141 PolarHBondContact NH1-O 3.21Å; T137-F141 PolarHBondContact O-N 3.4Å; Y139-F141 PolarHBondContact O-N 3.13Å; Y139-F141 VanDerWaalsContact O-N 3.07Å; F141-Y143 AromaticContact CE1-CD1 3.98Å; F141-Y143 HydrophobicContact CE1-CD1 3.98Å; F141-Y143 HydrophobicContact CE1-CG 4.43Å; F141-Y143 HydrophobicContact CZ-CD1 4.3Å; F141-L144 HydrophobicContact CD1-CB 4.16Å; F141-L144 WeakPolarHBondContact O-CB 3.27Å; F141-L144 PolarHBondContact O-N 3.38Å | ||
| 142 | P | 71.8 | Confident | 83.2 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -34.9 | -178.6 | 28.2 | -35.4 | 0 | 0 | 0 | 112.5 | F140 L144 E145 | F140-P142 WeakPolarHBondContact O-CD 3.16Å; P142-L144 PolarHBondContact O-N 3.1Å; P142-E145 WeakPolarHBondContact O-CB 3.16Å; P142-E145 PolarHBondContact O-N 2.83Å |
| 143 | Y | 75.8 | Confident | 82.8 | Confident | 133 Ų | 133 | 73 Ų | 73 | 52% | 0.522 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.7 | 178.4 | -173.8 | -103.7 | 0 | 0 | 0 | 113.6 | F141 E145 T146 L147 | F141-Y143 AromaticContact CE1-CD1 3.98Å; F141-Y143 HydrophobicContact CE1-CD1 3.98Å; F141-Y143 HydrophobicContact CE1-CG 4.43Å; F141-Y143 HydrophobicContact CZ-CD1 4.3Å; Y143-E145 PolarHBondContact O-N 3.34Å; Y143-T146 HydrophobicContact CE2-CG2 4.42Å; Y143-T146 PolarHBondContact O-N 3.49Å; Y143-T146 VanDerWaalsContact O-N 3.13Å; Y143-L147 HydrophobicContact CD1-CD1 3.76Å; Y143-L147 HydrophobicContact CD1-CG 3.9Å; Y143-L147 HydrophobicContact CE1-CD1 3.81Å; Y143-L147 HydrophobicContact CE1-CD2 3.91Å; Y143-L147 HydrophobicContact CE1-CG 3.69Å; Y143-L147 PolarHBondContact O-N 3.3Å |
| 144 | L | 76.1 | Confident | 82.6 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.2 | -28.2 | 169.3 | -172 | 55.3 | 0 | 0 | 0 | 112.4 | R90 L93 F141 P142 T146 L147 T148 | R90-L144 HydrophobicContact CG-CD2 3.89Å; L93-L144 HydrophobicContact CD2-CD1 3.75Å; L93-L144 HydrophobicContact CD2-CD2 3.58Å; L93-L144 HydrophobicContact CD2-CG 4.35Å; F141-L144 HydrophobicContact CD1-CB 4.16Å; F141-L144 WeakPolarHBondContact O-CB 3.27Å; F141-L144 PolarHBondContact O-N 3.38Å; P142-L144 PolarHBondContact O-N 3.1Å; L144-T146 PolarHBondContact O-N 3.02Å; L144-L147 HydrophobicContact CD1-CB 4.22Å; L144-L147 CarbonylContact O-C 3.26Å; L144-L147 PolarHBondContact O-N 3.13Å; L144-T148 PolarHBondContact O-N 2.79Å; L144-T148 PolarHBondContact O-OG1 3.3Å |
| 145 | E | 70.4 | Confident | 82.4 | Confident | 61 Ų | 61 | 71 Ų | 71 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.9 | -77.3 | 144.8 | -143.4 | 0 | 0 | 112.7 | Y80 R81 R90 P142 Y143 T148 | Y80-E145 PolarHBondContact OH-OE2 3.36Å; R81-E145 IonicContact CZ-OE1 2.75Å; R81-E145 VanDerWaalsContact CZ-OE1 3.29Å; R81-E145 IonicContact NE-OE1 4Å; R81-E145 PolarHBondContact NE-OE1 2.76Å; R81-E145 IonicContact NH2-OE1 3.29Å; R81-E145 PolarHBondContact NH2-OE1 3.14Å; R81-E145 IonicContact NH2-OE2 2.72Å; R81-E145 PolarHBondContact NH2-OE2 3.5Å; R90-E145 IonicContact CZ-OE1 2.74Å; R90-E145 IonicContact NH2-OE1 3.72Å; R90-E145 PolarHBondContact NH2-OE1 3.43Å; P142-E145 WeakPolarHBondContact O-CB 3.16Å; P142-E145 PolarHBondContact O-N 2.83Å; Y143-E145 PolarHBondContact O-N 3.34Å; E145-T148 WeakPolarHBondContact O-CB 3.47Å; E145-T148 PolarHBondContact O-N 2.93Å |
| 146 | T | 75.1 | Confident | 82.1 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67 | -39.8 | 174 | -45.5 | 0 | 0 | 0 | 0 | 111.1 | Y143 L144 T148 | Y143-T146 HydrophobicContact CE2-CG2 4.42Å; Y143-T146 PolarHBondContact O-N 3.49Å; Y143-T146 VanDerWaalsContact O-N 3.13Å; L144-T146 PolarHBondContact O-N 3.02Å; T146-T148 VanDerWaalsContact C-N 3.31Å; T146-T148 PolarHBondContact O-N 2.91Å |
| 147 | L | 82.8 | Confident | 82.1 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.5 | -16.8 | 177.1 | -64.3 | 176.6 | 0 | 0 | 0 | 113.7 | Y143 L144 R149 V150 W151 | Y143-L147 HydrophobicContact CD1-CD1 3.76Å; Y143-L147 HydrophobicContact CD1-CG 3.9Å; Y143-L147 HydrophobicContact CE1-CD1 3.81Å; Y143-L147 HydrophobicContact CE1-CD2 3.91Å; Y143-L147 HydrophobicContact CE1-CG 3.69Å; Y143-L147 PolarHBondContact O-N 3.3Å; L144-L147 HydrophobicContact CD1-CB 4.22Å; L144-L147 CarbonylContact O-C 3.26Å; L144-L147 PolarHBondContact O-N 3.13Å; L147-R149 PolarHBondContact O-N 2.69Å; L147-R149 VanDerWaalsContact O-N 3.12Å; L147-V150 WeakPolarHBondContact O-CA 3.27Å; L147-V150 WeakPolarHBondContact O-CB 3.4Å; L147-V150 PolarHBondContact O-N 3.37Å; L147-W151 PolarHBondContact O-N 2.75Å |
| 148 | T | 78 | Confident | 82 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.7 | -36 | 179.9 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | Y89 L144 E145 T146 V150 W151 M152 | Y89-T148 HydrophobicContact CD2-CG2 3.85Å; Y89-T148 HydrophobicContact CE2-CG2 4.15Å; Y89-T148 HydrophobicContact CG-CG2 4.2Å; L144-T148 PolarHBondContact O-N 2.79Å; L144-T148 PolarHBondContact O-OG1 3.3Å; E145-T148 WeakPolarHBondContact O-CB 3.47Å; E145-T148 PolarHBondContact O-N 2.93Å; T146-T148 VanDerWaalsContact C-N 3.31Å; T146-T148 PolarHBondContact O-N 2.91Å; T148-V150 VanDerWaalsContact C-N 3.34Å; T148-V150 PolarHBondContact O-N 2.91Å; T148-W151 CarbonylContact O-C 3.47Å; T148-W151 WeakPolarHBondContact O-CB 3.43Å; T148-W151 PolarHBondContact O-N 2.91Å; T148-M152 HydrophobicContact CG2-CG 4.22Å; T148-M152 HydrophobicContact CG2-SD 4.07Å; T148-M152 WeakPolarHBondContact O-CB 3.37Å; T148-M152 WeakPolarHBondContact O-CG 3.34Å; T148-M152 PolarHBondContact O-N 2.86Å |
| 149 | R | 78.4 | Confident | 81.8 | Confident | 171 Ų | 171 | 63.4 Ų | 63.4 | 65% | 0.645 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63 | -37.6 | 175.4 | -168.6 | -178.4 | -64.7 | 164.9 | 2.5 | 113.2 | L147 I153 Y859 | L147-R149 PolarHBondContact O-N 2.69Å; L147-R149 VanDerWaalsContact O-N 3.12Å; R149-I153 WeakPolarHBondContact O-CG1 3.23Å; R149-I153 PolarHBondContact O-N 3.07Å; R149-Y859 HydrophobicContact CG-CE2 4.5Å; R149-Y859 WeakPolarHBondContact CG-OH 3.38Å |
| 150 | V | 85.8 | Confident | 82 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | L147 T148 M152 I153 V154 | L147-V150 WeakPolarHBondContact O-CA 3.27Å; L147-V150 WeakPolarHBondContact O-CB 3.4Å; L147-V150 PolarHBondContact O-N 3.37Å; T148-V150 VanDerWaalsContact C-N 3.34Å; T148-V150 PolarHBondContact O-N 2.91Å; V150-M152 VanDerWaalsContact C-N 3.33Å; V150-M152 PolarHBondContact O-N 2.77Å; V150-I153 WeakPolarHBondContact O-CB 3.26Å; V150-I153 PolarHBondContact O-N 2.95Å; V150-I153 VanDerWaalsContact O-N 3.09Å; V150-V154 WeakPolarHBondContact O-CG2 3.38Å; V150-V154 PolarHBondContact O-N 2.84Å |
| 151 | W | 88.2 | Confident | 82.2 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 179.3 | -169.6 | -130.8 | 0 | 0 | 0 | 113.1 | Y89 L93 F96 L147 T148 I153 V154 G155 L849 M852 | Y89-W151 AromaticContact CD1-CD1 3.54Å; Y89-W151 AromaticContact CD1-NE1 3.92Å; Y89-W151 PolarHBondContact O-NE1 2.81Å; L93-W151 VanDerWaalsContact CA-CZ2 3.48Å; L93-W151 HydrophobicContact CB-CZ2 3.9Å; L93-W151 HydrophobicContact CD1-CD2 4.02Å; L93-W151 HydrophobicContact CD1-CE3 4.07Å; L93-W151 HydrophobicContact CD1-CH2 3.78Å; L93-W151 HydrophobicContact CD1-CZ2 3.7Å; L93-W151 HydrophobicContact CD1-CZ3 3.94Å; L93-W151 HydrophobicContact CG-CZ2 4.43Å; F96-W151 HydrophobicContact CB-CH2 3.92Å; F96-W151 HydrophobicContact CB-CZ2 4.29Å; F96-W151 AromaticContact CD1-CH2 3.41Å; F96-W151 HydrophobicContact CD1-CH2 3.41Å; F96-W151 VanDerWaalsContact CD1-CH2 3.41Å; F96-W151 HydrophobicContact CD1-CZ2 4.46Å; F96-W151 AromaticContact CD1-CZ3 3.93Å; F96-W151 HydrophobicContact CD1-CZ3 3.93Å; F96-W151 HydrophobicContact CD2-CH2 4.23Å; F96-W151 AromaticContact CE1-CH2 3.87Å; F96-W151 HydrophobicContact CE1-CH2 3.87Å; F96-W151 AromaticContact CE1-CZ3 3.94Å; F96-W151 HydrophobicContact CE1-CZ3 3.94Å; F96-W151 AromaticContact CG-CH2 3.59Å; F96-W151 HydrophobicContact CG-CH2 3.59Å; F96-W151 HydrophobicContact CG-CZ2 4.43Å; F96-W151 HydrophobicContact CG-CZ3 4.47Å; F96-W151 HydrophobicContact CZ-CH2 4.45Å; L147-W151 PolarHBondContact O-N 2.75Å; T148-W151 CarbonylContact O-C 3.47Å; T148-W151 WeakPolarHBondContact O-CB 3.43Å; T148-W151 PolarHBondContact O-N 2.91Å; W151-I153 PolarHBondContact O-N 3.16Å; W151-V154 HydrophobicContact CE3-CB 4.07Å; W151-V154 HydrophobicContact CE3-CG1 4.06Å; W151-V154 HydrophobicContact CZ3-CB 4.24Å; W151-V154 HydrophobicContact CZ3-CG1 3.71Å; W151-V154 PolarHBondContact O-N 2.9Å; W151-G155 PolarHBondContact O-N 3.35Å; W151-L849 HydrophobicContact CH2-CD2 3.38Å; W151-L849 HydrophobicContact CZ2-CD2 3.77Å; W151-L849 HydrophobicContact CZ3-CD2 4.02Å; W151-M852 HydrophobicContact CD2-CE 4.28Å; W151-M852 VanDerWaalsContact CE2-SD 3.57Å; W151-M852 HydrophobicContact CZ2-CE 3.96Å; W151-M852 HydrophobicContact CZ2-SD 3.78Å; W151-M852 PolarHBondContact NE1-SD 3.27Å |
| 152 | M | 83.7 | Confident | 82.3 | Confident | 20 Ų | 20 | 56 Ų | 56 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 169.7 | -72.3 | 163 | 79.2 | 0 | 0 | 111.9 | Y89 T148 V150 G155 I156 Y859 P861 | Y89-M152 HydrophobicContact CE1-CG 3.88Å; Y89-M152 HydrophobicContact CE2-CG 4.18Å; Y89-M152 WeakPolarHBondContact OH-CG 3.38Å; T148-M152 HydrophobicContact CG2-CG 4.22Å; T148-M152 HydrophobicContact CG2-SD 4.07Å; T148-M152 WeakPolarHBondContact O-CB 3.37Å; T148-M152 WeakPolarHBondContact O-CG 3.34Å; T148-M152 PolarHBondContact O-N 2.86Å; V150-M152 VanDerWaalsContact C-N 3.33Å; V150-M152 PolarHBondContact O-N 2.77Å; M152-G155 PolarHBondContact O-N 3.1Å; M152-I156 WeakPolarHBondContact O-CD1 3.23Å; M152-I156 VanDerWaalsContact O-CG1 3.3Å; M152-I156 WeakPolarHBondContact O-CG1 3.33Å; M152-I156 PolarHBondContact O-N 3.44Å; M152-Y859 HydrophobicContact CB-CD2 3.81Å; M152-Y859 HydrophobicContact CB-CE2 3.93Å; M152-Y859 HydrophobicContact CE-CD1 4.38Å; M152-Y859 HydrophobicContact CE-CD2 3.72Å; M152-Y859 HydrophobicContact CE-CE2 4Å; M152-Y859 HydrophobicContact CE-CG 3.92Å; M152-Y859 WeakPolarHBondContact CE-O 3.48Å; M152-Y859 HydrophobicContact SD-CE2 4.47Å; M152-P861 HydrophobicContact CE-CG 4.03Å |
| 153 | I | 85.8 | Confident | 82.5 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 45% | 0.446 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 179.4 | -62.3 | 166.1 | 0 | 0 | 0 | 110.6 | R149 V150 W151 G155 I156 V157 Y859 | R149-I153 WeakPolarHBondContact O-CG1 3.23Å; R149-I153 PolarHBondContact O-N 3.07Å; V150-I153 WeakPolarHBondContact O-CB 3.26Å; V150-I153 PolarHBondContact O-N 2.95Å; V150-I153 VanDerWaalsContact O-N 3.09Å; W151-I153 PolarHBondContact O-N 3.16Å; I153-G155 VanDerWaalsContact C-N 3.28Å; I153-G155 PolarHBondContact O-N 2.97Å; I153-I156 PolarHBondContact O-N 3.08Å; I153-V157 WeakPolarHBondContact O-CG2 3.37Å; I153-V157 PolarHBondContact O-N 3.45Å; I153-Y859 HydrophobicContact CG1-CE2 3.99Å |
| 154 | V | 90.7 | Very high | 82.7 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 173.7 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | V150 W151 G158 L849 | V150-V154 WeakPolarHBondContact O-CG2 3.38Å; V150-V154 PolarHBondContact O-N 2.84Å; W151-V154 HydrophobicContact CE3-CB 4.07Å; W151-V154 HydrophobicContact CE3-CG1 4.06Å; W151-V154 HydrophobicContact CZ3-CB 4.24Å; W151-V154 HydrophobicContact CZ3-CG1 3.71Å; W151-V154 PolarHBondContact O-N 2.9Å; V154-G158 PolarHBondContact O-N 3.1Å; V154-L849 HydrophobicContact CG1-CD1 4.06Å; V154-L849 HydrophobicContact CG1-CD2 4.21Å |
| 155 | G | 88.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.6 | -56.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W151 M152 I153 V157 G158 G159 M852 T853 | W151-G155 PolarHBondContact O-N 3.35Å; M152-G155 PolarHBondContact O-N 3.1Å; I153-G155 VanDerWaalsContact C-N 3.28Å; I153-G155 PolarHBondContact O-N 2.97Å; G155-V157 PolarHBondContact O-N 2.85Å; G155-G158 CarbonylContact O-C 3.6Å; G155-G158 PolarHBondContact O-N 2.83Å; G155-G159 PolarHBondContact O-N 3.17Å; G155-M852 VanDerWaalsContact CA-CE 3.4Å; G155-T853 VanDerWaalsContact O-CG2 3.3Å; G155-T853 WeakPolarHBondContact O-CG2 3.3Å |
| 156 | I | 84.9 | Confident | 82.8 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | -177.6 | -69.8 | 159.5 | 0 | 0 | 0 | 111.5 | M152 I153 G159 I160 T853 W858 Y859 | M152-I156 WeakPolarHBondContact O-CD1 3.23Å; M152-I156 VanDerWaalsContact O-CG1 3.3Å; M152-I156 WeakPolarHBondContact O-CG1 3.33Å; M152-I156 PolarHBondContact O-N 3.44Å; I153-I156 PolarHBondContact O-N 3.08Å; I156-G159 PolarHBondContact O-N 2.94Å; I156-I160 HydrophobicContact CG2-CD1 4Å; I156-I160 WeakPolarHBondContact O-CD1 3.32Å; I156-I160 VanDerWaalsContact O-CG1 3.27Å; I156-I160 WeakPolarHBondContact O-CG1 3.45Å; I156-I160 PolarHBondContact O-N 3.23Å; I156-T853 HydrophobicContact CG1-CG2 4.16Å; I156-W858 HydrophobicContact CB-CE3 4.31Å; I156-W858 HydrophobicContact CB-CZ3 4.26Å; I156-W858 HydrophobicContact CG1-CE3 3.96Å; I156-W858 HydrophobicContact CG1-CZ3 4.39Å; I156-W858 HydrophobicContact CG2-CE3 4.05Å; I156-W858 HydrophobicContact CG2-CZ3 3.94Å; I156-Y859 HydrophobicContact CD1-CD2 3.7Å; I156-Y859 HydrophobicContact CD1-CG 4.14Å |
| 157 | V | 88.8 | Confident | 82.7 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 47% | 0.473 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.8 | 176 | 0 | 0 | 0 | 0 | 111.1 | I153 G155 I160 L161 | I153-V157 WeakPolarHBondContact O-CG2 3.37Å; I153-V157 PolarHBondContact O-N 3.45Å; G155-V157 PolarHBondContact O-N 2.85Å; V157-I160 PolarHBondContact O-N 3.06Å; V157-L161 HydrophobicContact CG1-CD1 4.13Å; V157-L161 VanDerWaalsContact O-CG 3.31Å; V157-L161 WeakPolarHBondContact O-CG 3.05Å; V157-L161 PolarHBondContact O-N 3.48Å; V157-L161 VanDerWaalsContact O-N 3.07Å |
| 158 | G | 87.9 | Confident | 82.2 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V154 G155 L161 F162 | V154-G158 PolarHBondContact O-N 3.1Å; G155-G158 CarbonylContact O-C 3.6Å; G155-G158 PolarHBondContact O-N 2.83Å; G158-L161 PolarHBondContact O-N 3.13Å; G158-F162 WeakPolarHBondContact O-CB 3.07Å; G158-F162 PolarHBondContact O-N 3.47Å |
| 159 | G | 83.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G155 I156 L161 F162 V163 | G155-G159 PolarHBondContact O-N 3.17Å; I156-G159 PolarHBondContact O-N 2.94Å; G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 3.26Å; G159-F162 PolarHBondContact O-N 3.31Å; G159-V163 WeakPolarHBondContact O-CB 2.92Å; G159-V163 VanDerWaalsContact O-CG2 3.24Å; G159-V163 WeakPolarHBondContact O-CG2 3.39Å; G159-V163 PolarHBondContact O-N 3.27Å |
| 160 | I | 83 | Confident | 81.4 | Confident | 77 Ų | 77 | 39 Ų | 39 | 40% | 0.395 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.5 | -47.4 | 173.5 | -68.1 | 157.8 | 0 | 0 | 0 | 110.9 | I156 V157 V163 Y164 W858 M878 | I156-I160 HydrophobicContact CG2-CD1 4Å; I156-I160 WeakPolarHBondContact O-CD1 3.32Å; I156-I160 VanDerWaalsContact O-CG1 3.27Å; I156-I160 WeakPolarHBondContact O-CG1 3.45Å; I156-I160 PolarHBondContact O-N 3.23Å; V157-I160 PolarHBondContact O-N 3.06Å; I160-V163 PolarHBondContact O-N 2.9Å; I160-Y164 WeakPolarHBondContact O-CB 3.38Å; I160-Y164 PolarHBondContact O-N 2.91Å; I160-W858 HydrophobicContact CG1-CH2 4.32Å; I160-W858 HydrophobicContact CG1-CZ3 4.1Å; I160-M878 HydrophobicContact CB-CE 4.31Å; I160-M878 HydrophobicContact CD1-SD 4.24Å; I160-M878 HydrophobicContact CG1-CE 3.61Å; I160-M878 HydrophobicContact CG1-SD 3.52Å; I160-M878 VanDerWaalsContact CG1-SD 3.52Å |
| 161 | L | 85.7 | Confident | 80.7 | Confident | 84 Ų | 84 | 35.6 Ų | 35.6 | 44% | 0.44 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 179.6 | -71 | 170.5 | 0 | 0 | 0 | 112.5 | V157 G158 G159 Y164 V165 L846 | V157-L161 HydrophobicContact CG1-CD1 4.13Å; V157-L161 VanDerWaalsContact O-CG 3.31Å; V157-L161 WeakPolarHBondContact O-CG 3.05Å; V157-L161 PolarHBondContact O-N 3.48Å; V157-L161 VanDerWaalsContact O-N 3.07Å; G158-L161 PolarHBondContact O-N 3.13Å; G159-L161 VanDerWaalsContact C-N 3.32Å; G159-L161 PolarHBondContact O-N 3.26Å; L161-Y164 PolarHBondContact O-N 2.86Å; L161-V165 WeakPolarHBondContact O-CG2 3.49Å; L161-V165 PolarHBondContact O-N 2.91Å; L161-L846 HydrophobicContact CB-CD1 4.2Å; L161-L846 HydrophobicContact CB-CD2 4.05Å; L161-L846 HydrophobicContact CD1-CD2 4.39Å |
| 162 | F | 84.3 | Confident | 79.8 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.4 | -174.2 | -106.3 | 0 | 0 | 0 | 111.4 | G158 G159 Y164 V165 Q166 F384 I843 L846 A847 Y850 | G158-F162 WeakPolarHBondContact O-CB 3.07Å; G158-F162 PolarHBondContact O-N 3.47Å; G159-F162 PolarHBondContact O-N 3.31Å; F162-Y164 PolarHBondContact O-N 3.39Å; F162-V165 PolarHBondContact O-N 3.03Å; F162-Q166 WeakPolarHBondContact O-CB 3.22Å; F162-Q166 PolarHBondContact O-N 3.18Å; F162-F384 HydrophobicContact CE1-CD1 4.44Å; F162-F384 HydrophobicContact CE1-CE1 4.09Å; F162-F384 HydrophobicContact CZ-CD1 4.17Å; F162-F384 HydrophobicContact CZ-CE1 4.13Å; F162-I843 HydrophobicContact CE2-CG2 4.17Å; F162-L846 HydrophobicContact CB-CB 3.99Å; F162-L846 HydrophobicContact CD2-CB 3.94Å; F162-L846 HydrophobicContact CG-CB 4.43Å; F162-A847 VanDerWaalsContact CD2-CA 3.5Å; F162-A847 HydrophobicContact CD2-CB 3.92Å; F162-A847 VanDerWaalsContact CD2-N 3.34Å; F162-A847 HydrophobicContact CE2-CB 3.43Å; F162-A847 VanDerWaalsContact CE2-CB 3.43Å; F162-A847 HydrophobicContact CZ-CB 3.76Å; F162-Y850 HydrophobicContact CB-CG 4.49Å; F162-Y850 AromaticContact CD1-CD1 3.61Å; F162-Y850 HydrophobicContact CD1-CD1 3.61Å; F162-Y850 HydrophobicContact CD1-CD2 4.29Å; F162-Y850 HydrophobicContact CD1-CE1 4.39Å; F162-Y850 AromaticContact CD1-CG 3.54Å; F162-Y850 HydrophobicContact CD1-CG 3.54Å; F162-Y850 AromaticContact CE1-CD1 3.79Å; F162-Y850 HydrophobicContact CE1-CD1 3.79Å; F162-Y850 HydrophobicContact CE1-CE1 4.4Å; F162-Y850 HydrophobicContact CE1-CG 4.21Å; F162-Y850 HydrophobicContact CG-CG 4.34Å |
| 163 | V | 76.3 | Confident | 79.1 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | G159 I160 V165 Q166 H167 Y850 S882 | G159-V163 WeakPolarHBondContact O-CB 2.92Å; G159-V163 VanDerWaalsContact O-CG2 3.24Å; G159-V163 WeakPolarHBondContact O-CG2 3.39Å; G159-V163 PolarHBondContact O-N 3.27Å; I160-V163 PolarHBondContact O-N 2.9Å; V163-V165 PolarHBondContact O-N 2.7Å; V163-Q166 WeakPolarHBondContact O-CB 3.4Å; V163-Q166 PolarHBondContact O-N 2.78Å; V163-H167 PolarHBondContact O-N 3.11Å; V163-H167 PolarHBondContact O-ND1 3.37Å; V163-Y850 HydrophobicContact CG2-CD2 3.68Å; V163-Y850 HydrophobicContact CG2-CE2 3.45Å; V163-Y850 VanDerWaalsContact CG2-CE2 3.45Å; V163-S882 WeakPolarHBondContact CG1-OG 3.09Å |
| 164 | Y | 78.5 | Confident | 78.6 | Confident | 111 Ų | 111 | 32.6 Ų | 32.6 | 44% | 0.435 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -55.5 | -48 | 173.8 | -179.6 | -83.3 | 0 | 0 | 0 | 112.2 | I160 L161 F162 H167 I168 L885 | I160-Y164 WeakPolarHBondContact O-CB 3.38Å; I160-Y164 PolarHBondContact O-N 2.91Å; L161-Y164 PolarHBondContact O-N 2.86Å; F162-Y164 PolarHBondContact O-N 3.39Å; Y164-H167 PolarHBondContact O-N 3.08Å; Y164-I168 HydrophobicContact CD1-CD1 4.13Å; Y164-I168 HydrophobicContact CE1-CD1 3.38Å; Y164-I168 HydrophobicContact CE1-CG1 4.38Å; Y164-I168 PolarHBondContact O-N 3.17Å; Y164-L885 HydrophobicContact CD2-CD1 3.88Å; Y164-L885 HydrophobicContact CD2-CD2 3.4Å; Y164-L885 VanDerWaalsContact CD2-CD2 3.4Å; Y164-L885 HydrophobicContact CD2-CG 4.29Å; Y164-L885 HydrophobicContact CE2-CD1 3.58Å; Y164-L885 HydrophobicContact CE2-CD2 3.99Å; Y164-L885 HydrophobicContact CE2-CG 4.43Å; Y164-L885 HydrophobicContact CG-CD2 4.1Å |
| 165 | V | 75.4 | Confident | 77.9 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 16% | 0.158 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.5 | 170 | 0 | 0 | 0 | 0 | 110.5 | L161 F162 V163 H167 I168 T169 I843 | L161-V165 WeakPolarHBondContact O-CG2 3.49Å; L161-V165 PolarHBondContact O-N 2.91Å; F162-V165 PolarHBondContact O-N 3.03Å; V163-V165 PolarHBondContact O-N 2.7Å; V165-H167 VanDerWaalsContact C-N 3.29Å; V165-H167 PolarHBondContact O-N 3.28Å; V165-I168 PolarHBondContact O-N 2.85Å; V165-T169 HydrophobicContact CG1-CG2 3.99Å; V165-T169 WeakPolarHBondContact O-CG2 3.37Å; V165-T169 PolarHBondContact O-N 3.07Å; V165-I843 HydrophobicContact CG1-CD1 4.19Å; V165-I843 HydrophobicContact CG1-CG1 4.35Å |
| 166 | Q | 74.6 | Confident | 77 | Confident | 38 Ų | 38 | 32 Ų | 32 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -32.8 | 178.6 | -170 | -176.8 | 4 | 0 | 0 | 113.1 | F162 V163 T169 L170 | F162-Q166 WeakPolarHBondContact O-CB 3.22Å; F162-Q166 PolarHBondContact O-N 3.18Å; V163-Q166 WeakPolarHBondContact O-CB 3.4Å; V163-Q166 PolarHBondContact O-N 2.78Å; Q166-T169 VanDerWaalsContact CA-OG1 3.31Å; Q166-T169 WeakPolarHBondContact CA-OG1 3.36Å; Q166-T169 PolarHBondContact O-N 3.09Å; Q166-T169 PolarHBondContact O-OG1 3.19Å; Q166-L170 PolarHBondContact O-N 3.26Å; Q166-L170 VanDerWaalsContact O-N 3.1Å |
| 167 | H | 72.1 | Confident | 76.5 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.8 | -42.6 | 177.9 | -74.8 | 49.2 | 0 | 0 | 0 | 111.1 | V163 Y164 V165 T169 L170 I171 F265 L269 S882 L885 | V163-H167 PolarHBondContact O-N 3.11Å; V163-H167 PolarHBondContact O-ND1 3.37Å; Y164-H167 PolarHBondContact O-N 3.08Å; V165-H167 VanDerWaalsContact C-N 3.29Å; V165-H167 PolarHBondContact O-N 3.28Å; H167-T169 VanDerWaalsContact C-N 3.27Å; H167-T169 PolarHBondContact O-N 3.32Å; H167-L170 PolarHBondContact O-N 3.48Å; H167-I171 WeakPolarHBondContact O-CG1 3.36Å; H167-I171 PolarHBondContact O-N 3Å; H167-F265 AromaticContact CD2-CE1 3.43Å; H167-F265 VanDerWaalsContact CD2-CE1 3.43Å; H167-F265 WeakPolarHBondContact CD2-CE1 3.31Å; H167-F265 AromaticContact CD2-CZ 3.88Å; H167-F265 AromaticContact CE1-CZ 3.77Å; H167-F265 AromaticContact NE2-CE1 3.47Å; H167-F265 WeakPolarHBondContact NE2-CE1 3.47Å; H167-F265 AromaticContact NE2-CZ 3.44Å; H167-F265 WeakPolarHBondContact NE2-CZ 3.14Å; H167-L269 WeakPolarHBondContact NE2-CD1 3.28Å; H167-S882 WeakPolarHBondContact NE2-CB 3.36Å; H167-L885 HydrophobicContact CB-CD2 4.28Å |
| 168 | I | 72.3 | Confident | 76.3 | Confident | 27 Ų | 27 | 28.6 Ų | 28.6 | 14% | 0.138 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.9 | -33.8 | 169.9 | -68.9 | -178 | 0 | 0 | 0 | 111.3 | Y164 V165 D172 L889 F910 | Y164-I168 HydrophobicContact CD1-CD1 4.13Å; Y164-I168 HydrophobicContact CE1-CD1 3.38Å; Y164-I168 HydrophobicContact CE1-CG1 4.38Å; Y164-I168 PolarHBondContact O-N 3.17Å; V165-I168 PolarHBondContact O-N 2.85Å; I168-D172 PolarHBondContact O-N 3.48Å; I168-L889 HydrophobicContact CG1-CD1 4Å; I168-F910 HydrophobicContact CD1-CZ 4.42Å; I168-F910 HydrophobicContact CG2-CD1 4.27Å; I168-F910 HydrophobicContact CG2-CE1 3.59Å; I168-F910 HydrophobicContact CG2-CE2 3.93Å; I168-F910 HydrophobicContact CG2-CZ 3.4Å; I168-F910 VanDerWaalsContact CG2-CZ 3.4Å |
| 169 | T | 70 | Confident | 75.8 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 178.9 | 73 | 0 | 0 | 0 | 0 | 111.8 | V165 Q166 H167 F173 Y386 R390 | V165-T169 HydrophobicContact CG1-CG2 3.99Å; V165-T169 WeakPolarHBondContact O-CG2 3.37Å; V165-T169 PolarHBondContact O-N 3.07Å; Q166-T169 VanDerWaalsContact CA-OG1 3.31Å; Q166-T169 WeakPolarHBondContact CA-OG1 3.36Å; Q166-T169 PolarHBondContact O-N 3.09Å; Q166-T169 PolarHBondContact O-OG1 3.19Å; H167-T169 VanDerWaalsContact C-N 3.27Å; H167-T169 PolarHBondContact O-N 3.32Å; T169-F173 PolarHBondContact O-N 3.47Å; T169-Y386 PolarHBondContact O-OH 2.64Å; T169-Y386 VanDerWaalsContact O-OH 3.08Å; T169-Y386 WeakPolarHBondContact OG1-CE1 3.32Å; T169-R390 VanDerWaalsContact CA-CZ 3.46Å; T169-R390 VanDerWaalsContact CB-CD 3.45Å; T169-R390 WeakPolarHBondContact O-CD 3.49Å; T169-R390 PolarHBondContact O-NE 3.13Å |
| 170 | L | 69.4 | Low | 75.4 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 177.9 | -170.9 | 66 | 0 | 0 | 0 | 112.9 | Q166 H167 F173 A174 F265 Y386 | Q166-L170 PolarHBondContact O-N 3.26Å; Q166-L170 VanDerWaalsContact O-N 3.1Å; H167-L170 PolarHBondContact O-N 3.48Å; L170-F173 PolarHBondContact O-N 3.41Å; L170-A174 PolarHBondContact O-N 3.46Å; L170-F265 HydrophobicContact CD2-CB 4.34Å; L170-F265 HydrophobicContact CD2-CD1 3.62Å; L170-F265 HydrophobicContact CD2-CD2 3.63Å; L170-F265 HydrophobicContact CD2-CE1 3.66Å; L170-F265 HydrophobicContact CD2-CE2 3.7Å; L170-F265 HydrophobicContact CD2-CG 3.6Å; L170-F265 HydrophobicContact CD2-CZ 3.71Å; L170-Y386 WeakPolarHBondContact CA-OH 3.41Å; L170-Y386 HydrophobicContact CD1-CE1 4.32Å |
| 171 | I | 71.3 | Confident | 75.4 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.077 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.8 | -45.4 | -175.5 | -68.8 | 166.9 | 0 | 0 | 0 | 111.8 | H167 F173 A174 Y175 L889 | H167-I171 WeakPolarHBondContact O-CG1 3.36Å; H167-I171 PolarHBondContact O-N 3Å; I171-F173 VanDerWaalsContact C-N 3.27Å; I171-F173 PolarHBondContact O-N 3.48Å; I171-A174 WeakPolarHBondContact O-CB 3.47Å; I171-A174 PolarHBondContact O-N 3.38Å; I171-A174 VanDerWaalsContact O-N 3.16Å; I171-Y175 HydrophobicContact CG2-CD2 3.93Å; I171-Y175 HydrophobicContact CG2-CE2 3.64Å; I171-Y175 VanDerWaalsContact O-CD2 3.22Å; I171-Y175 WeakPolarHBondContact O-CD2 3.32Å; I171-Y175 PolarHBondContact O-N 2.9Å; I171-L889 HydrophobicContact CD1-CB 3.98Å; I171-L889 HydrophobicContact CD1-CD1 3.72Å |
| 172 | D | 69.5 | Low | 75.3 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | 175.9 | 172.6 | 72.7 | 0 | 0 | 0 | 111.9 | I168 Y175 E176 R390 F910 | I168-D172 PolarHBondContact O-N 3.48Å; D172-Y175 PolarHBondContact O-N 2.93Å; D172-E176 PolarHBondContact O-N 2.95Å; D172-R390 VanDerWaalsContact CB-NH2 3.3Å; D172-R390 VanDerWaalsContact CG-NH2 3.27Å; D172-R390 IonicContact OD2-CZ 3.26Å; D172-R390 IonicContact OD2-NE 3.59Å; D172-R390 PolarHBondContact OD2-NE 3.49Å; D172-R390 IonicContact OD2-NH2 2.88Å; D172-R390 PolarHBondContact OD2-NH2 2.97Å; D172-F910 HydrophobicContact CB-CB 4.08Å; D172-F910 HydrophobicContact CB-CD1 4.2Å; D172-F910 HydrophobicContact CB-CG 4.36Å; D172-F910 WeakPolarHBondContact OD1-CA 3.26Å; D172-F910 WeakPolarHBondContact OD1-CB 3.47Å |
| 173 | F | 69.5 | Low | 75.1 | Confident | 47 Ų | 47 | 37.4 Ų | 37.4 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 174.6 | 175.7 | -110.3 | 0 | 0 | 0 | 113.1 | T169 L170 I171 E176 I177 Y386 | T169-F173 PolarHBondContact O-N 3.47Å; L170-F173 PolarHBondContact O-N 3.41Å; I171-F173 VanDerWaalsContact C-N 3.27Å; I171-F173 PolarHBondContact O-N 3.48Å; F173-E176 HydrophobicContact CD2-CG 4.11Å; F173-E176 WeakPolarHBondContact O-CG 3.21Å; F173-E176 PolarHBondContact O-N 2.92Å; F173-E176 VanDerWaalsContact O-N 3.08Å; F173-I177 HydrophobicContact CD1-CD1 3.95Å; F173-I177 HydrophobicContact CE1-CD1 3.48Å; F173-I177 VanDerWaalsContact CE1-CD1 3.48Å; F173-I177 HydrophobicContact CE1-CG1 4.39Å; F173-I177 HydrophobicContact CE2-CD1 4.21Å; F173-I177 HydrophobicContact CE2-CG1 4.32Å; F173-I177 HydrophobicContact CZ-CD1 3.63Å; F173-I177 HydrophobicContact CZ-CG1 4.23Å; F173-I177 PolarHBondContact O-N 3.28Å; F173-Y386 WeakPolarHBondContact CB-OH 3.43Å; F173-Y386 AromaticContact CD1-CE2 3.69Å; F173-Y386 HydrophobicContact CD1-CE2 3.69Å; F173-Y386 AromaticContact CD1-CZ 3.98Å; F173-Y386 WeakPolarHBondContact CD1-OH 3.36Å; F173-Y386 HydrophobicContact CD2-CE2 4.49Å; F173-Y386 AromaticContact CE1-CE2 3.83Å; F173-Y386 HydrophobicContact CE1-CE2 3.83Å; F173-Y386 HydrophobicContact CG-CE2 4.03Å; F173-Y386 VanDerWaalsContact CG-OH 3.25Å; F173-Y386 WeakPolarHBondContact CG-OH 3.42Å; F173-Y386 HydrophobicContact CZ-CE2 4.29Å |
| 174 | A | 75.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L170 I171 E176 N178 P258 I261 | L170-A174 PolarHBondContact O-N 3.46Å; I171-A174 WeakPolarHBondContact O-CB 3.47Å; I171-A174 PolarHBondContact O-N 3.38Å; I171-A174 VanDerWaalsContact O-N 3.16Å; A174-E176 VanDerWaalsContact C-N 3.3Å; A174-E176 PolarHBondContact O-N 3.44Å; A174-N178 PolarHBondContact O-N 2.93Å; A174-N178 VanDerWaalsContact O-N 3.1Å; A174-P258 HydrophobicContact CB-CB 4.21Å; A174-I261 HydrophobicContact CB-CB 4.17Å; A174-I261 HydrophobicContact CB-CD1 3.73Å; A174-I261 HydrophobicContact CB-CG2 3.97Å |
| 175 | Y | 75 | Confident | 75.9 | Confident | 31 Ų | 31 | 37 Ų | 37 | 12% | 0.122 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -35.6 | 170.6 | -76.8 | -67.6 | 0 | 0 | 0 | 112.6 | I171 D172 G179 M255 P258 T893 | I171-Y175 HydrophobicContact CG2-CD2 3.93Å; I171-Y175 HydrophobicContact CG2-CE2 3.64Å; I171-Y175 VanDerWaalsContact O-CD2 3.22Å; I171-Y175 WeakPolarHBondContact O-CD2 3.32Å; I171-Y175 PolarHBondContact O-N 2.9Å; D172-Y175 PolarHBondContact O-N 2.93Å; Y175-G179 PolarHBondContact O-N 3.46Å; Y175-M255 HydrophobicContact CD1-CE 3.82Å; Y175-M255 HydrophobicContact CE1-CE 3.82Å; Y175-P258 HydrophobicContact CD1-CB 3.78Å; Y175-P258 HydrophobicContact CD1-CG 3.51Å; Y175-P258 HydrophobicContact CD2-CB 4.26Å; Y175-P258 HydrophobicContact CE1-CB 3.52Å; Y175-P258 HydrophobicContact CE1-CG 3.58Å; Y175-P258 HydrophobicContact CE2-CB 4.04Å; Y175-P258 HydrophobicContact CG-CB 4.12Å; Y175-P258 HydrophobicContact CG-CG 4.09Å; Y175-T893 HydrophobicContact CE2-CG2 4.07Å; Y175-T893 WeakPolarHBondContact OH-CB 3.48Å; Y175-T893 VanDerWaalsContact OH-CG2 3.27Å; Y175-T893 WeakPolarHBondContact OH-CG2 3.48Å; Y175-T893 PolarHBondContact OH-OG1 3.01Å |
| 176 | E | 69.5 | Low | 76.3 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76 | -33.2 | -179.7 | 105.4 | 156.1 | -144.9 | 0 | 0 | 114.6 | D172 F173 A174 N180 M393 R397 | D172-E176 PolarHBondContact O-N 2.95Å; F173-E176 HydrophobicContact CD2-CG 4.11Å; F173-E176 WeakPolarHBondContact O-CG 3.21Å; F173-E176 PolarHBondContact O-N 2.92Å; F173-E176 VanDerWaalsContact O-N 3.08Å; A174-E176 VanDerWaalsContact C-N 3.3Å; A174-E176 PolarHBondContact O-N 3.44Å; E176-N180 VanDerWaalsContact O-CB 3.31Å; E176-N180 WeakPolarHBondContact O-CB 3.4Å; E176-N180 VanDerWaalsContact O-CG 3.24Å; E176-N180 PolarHBondContact O-N 2.97Å; E176-N180 PolarHBondContact O-OD1 3.01Å; E176-M393 WeakPolarHBondContact OE1-CE 3.4Å; E176-R397 IonicContact OE1-CZ 3.93Å; E176-R397 IonicContact OE1-NE 3.84Å; E176-R397 PolarHBondContact OE1-NE 2.97Å; E176-R397 IonicContact OE1-NH1 3.85Å; E176-R397 IonicContact OE1-NH2 2.76Å; E176-R397 PolarHBondContact OE1-NH2 3.34Å; E176-R397 WeakPolarHBondContact OE2-CD 3.48Å; E176-R397 IonicContact OE2-CZ 3.65Å; E176-R397 IonicContact OE2-NE 3.53Å; E176-R397 PolarHBondContact OE2-NE 2.74Å; E176-R397 IonicContact OE2-NH1 2.96Å; E176-R397 PolarHBondContact OE2-NH1 3.21Å; E176-R397 IonicContact OE2-NH2 3.32Å |
| 177 | I | 75.7 | Confident | 76.9 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -52.1 | 168.9 | -71.8 | 172 | 0 | 0 | 0 | 108.6 | F173 G179 N180 W181 L257 | F173-I177 HydrophobicContact CD1-CD1 3.95Å; F173-I177 HydrophobicContact CE1-CD1 3.48Å; F173-I177 VanDerWaalsContact CE1-CD1 3.48Å; F173-I177 HydrophobicContact CE1-CG1 4.39Å; F173-I177 HydrophobicContact CE2-CD1 4.21Å; F173-I177 HydrophobicContact CE2-CG1 4.32Å; F173-I177 HydrophobicContact CZ-CD1 3.63Å; F173-I177 HydrophobicContact CZ-CG1 4.23Å; F173-I177 PolarHBondContact O-N 3.28Å; I177-G179 VanDerWaalsContact C-N 3.33Å; I177-G179 PolarHBondContact O-N 3.41Å; I177-N180 WeakPolarHBondContact O-CB 3.41Å; I177-N180 PolarHBondContact O-N 3.22Å; I177-N180 VanDerWaalsContact O-N 3.1Å; I177-W181 HydrophobicContact CG2-CD2 3.88Å; I177-W181 HydrophobicContact CG2-CE3 4.29Å; I177-W181 HydrophobicContact CG2-CG 4.26Å; I177-W181 HydrophobicContact CG2-CZ2 4.13Å; I177-W181 PolarHBondContact O-N 2.84Å; I177-L257 HydrophobicContact CG2-CD2 4.05Å |
| 178 | N | 84.3 | Confident | 77.7 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | -179.3 | -165.5 | 76.6 | 0 | 0 | 0 | 111.6 | A174 N180 W181 H182 Q254 L257 P258 | A174-N178 PolarHBondContact O-N 2.93Å; A174-N178 VanDerWaalsContact O-N 3.1Å; N178-N180 PolarHBondContact O-N 2.78Å; N178-W181 PolarHBondContact O-N 2.78Å; N178-H182 WeakPolarHBondContact O-CB 3.39Å; N178-H182 PolarHBondContact O-N 3.36Å; N178-Q254 PolarHBondContact ND2-O 3.1Å; N178-Q254 PolarHBondContact OD1-O 3.32Å; N178-L257 HydrophobicContact CB-CB 4.43Å; N178-L257 HydrophobicContact CB-CD2 4.35Å; N178-L257 WeakPolarHBondContact OD1-CB 3.18Å; N178-P258 HydrophobicContact CB-CG 3.95Å |
| 179 | G | 76.9 | Confident | 78.5 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y175 I177 N183 | Y175-G179 PolarHBondContact O-N 3.46Å; I177-G179 VanDerWaalsContact C-N 3.33Å; I177-G179 PolarHBondContact O-N 3.41Å; G179-N183 WeakPolarHBondContact O-CB 3.24Å; G179-N183 PolarHBondContact O-N 3.03Å; G179-N183 VanDerWaalsContact O-N 3.11Å |
| 180 | N | 75 | Confident | 79.6 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.9 | -49 | 174.1 | -83 | 15.3 | 0 | 0 | 0 | 111.7 | E176 I177 N178 N183 K184 R397 | E176-N180 VanDerWaalsContact O-CB 3.31Å; E176-N180 WeakPolarHBondContact O-CB 3.4Å; E176-N180 VanDerWaalsContact O-CG 3.24Å; E176-N180 PolarHBondContact O-N 2.97Å; E176-N180 PolarHBondContact O-OD1 3.01Å; I177-N180 WeakPolarHBondContact O-CB 3.41Å; I177-N180 PolarHBondContact O-N 3.22Å; I177-N180 VanDerWaalsContact O-N 3.1Å; N178-N180 PolarHBondContact O-N 2.78Å; N180-N183 PolarHBondContact O-N 3.2Å; N180-K184 PolarHBondContact O-N 3.25Å; N180-R397 PolarHBondContact ND2-NH2 3.32Å; N180-R397 PolarHBondContact OD1-NH2 2.98Å |
| 181 | W | 83.2 | Confident | 80.4 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -42.6 | -178.7 | -71.4 | 8.8 | 0 | 0 | 0 | 110.8 | I177 N178 N183 K184 S185 Y191 A194 I195 V198 L257 | I177-W181 HydrophobicContact CG2-CD2 3.88Å; I177-W181 HydrophobicContact CG2-CE3 4.29Å; I177-W181 HydrophobicContact CG2-CG 4.26Å; I177-W181 HydrophobicContact CG2-CZ2 4.13Å; I177-W181 PolarHBondContact O-N 2.84Å; N178-W181 PolarHBondContact O-N 2.78Å; W181-N183 VanDerWaalsContact C-N 3.32Å; W181-N183 PolarHBondContact O-N 3.11Å; W181-K184 CarbonylContact O-C 3.46Å; W181-K184 PolarHBondContact O-N 2.81Å; W181-K184 VanDerWaalsContact O-N 3.13Å; W181-S185 WeakPolarHBondContact O-CB 3.43Å; W181-S185 PolarHBondContact O-N 3.26Å; W181-Y191 HydrophobicContact CB-CD1 4.17Å; W181-Y191 AromaticContact CD1-CD1 3.97Å; W181-Y191 AromaticContact CG-CD1 3.96Å; W181-Y191 HydrophobicContact CG-CD1 3.96Å; W181-A194 HydrophobicContact CE3-CB 4.28Å; W181-A194 HydrophobicContact CZ3-CB 4.06Å; W181-I195 HydrophobicContact CB-CD1 3.88Å; W181-I195 HydrophobicContact CB-CG1 3.96Å; W181-I195 HydrophobicContact CE3-CG1 3.91Å; W181-V198 HydrophobicContact CH2-CG2 4.44Å; W181-V198 HydrophobicContact CZ3-CG2 4.24Å; W181-L257 HydrophobicContact CE3-CD2 4.21Å; W181-L257 HydrophobicContact CZ3-CD2 4.34Å |
| 182 | H | 83 | Confident | 81.2 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 174.3 | -175.6 | 2.3 | 0 | 0 | 0 | 112.4 | N178 S185 I195 G253 | N178-H182 WeakPolarHBondContact O-CB 3.39Å; N178-H182 PolarHBondContact O-N 3.36Å; H182-S185 WeakPolarHBondContact CA-OG 3.24Å; H182-S185 PolarHBondContact O-OG 3.28Å; H182-I195 HydrophobicContact CB-CD1 4.33Å; H182-G253 PolarHBondContact CD2-O 3.24Å; H182-G253 VanDerWaalsContact CD2-O 3.26Å |
| 183 | N | 81 | Confident | 82.2 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.8 | -34.5 | 174 | -167.2 | 85.8 | 0 | 0 | 0 | 112.4 | G179 N180 W181 | G179-N183 WeakPolarHBondContact O-CB 3.24Å; G179-N183 PolarHBondContact O-N 3.03Å; G179-N183 VanDerWaalsContact O-N 3.11Å; N180-N183 PolarHBondContact O-N 3.2Å; W181-N183 VanDerWaalsContact C-N 3.32Å; W181-N183 PolarHBondContact O-N 3.11Å |
| 184 | K | 84.2 | Confident | 83.2 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.1 | -28.8 | 173.4 | -74.8 | -170.8 | 171 | -171.5 | 0 | 113.2 | N180 W181 K186 T187 S188 Y191 | N180-K184 PolarHBondContact O-N 3.25Å; W181-K184 CarbonylContact O-C 3.46Å; W181-K184 PolarHBondContact O-N 2.81Å; W181-K184 VanDerWaalsContact O-N 3.13Å; K184-K186 PolarHBondContact O-N 3.06Å; K184-T187 PolarHBondContact O-N 3.13Å; K184-S188 PolarHBondContact O-N 3.34Å; K184-S188 VanDerWaalsContact O-N 3.17Å; K184-Y191 HydrophobicContact CB-CD1 4.06Å; K184-Y191 HydrophobicContact CB-CD2 3.81Å; K184-Y191 HydrophobicContact CB-CE1 4.28Å; K184-Y191 HydrophobicContact CB-CE2 4.06Å; K184-Y191 HydrophobicContact CB-CG 3.81Å; K184-Y191 HydrophobicContact CD-CD1 4.06Å; K184-Y191 HydrophobicContact CD-CD2 4.37Å; K184-Y191 HydrophobicContact CD-CE1 3.46Å; K184-Y191 VanDerWaalsContact CD-CE1 3.46Å; K184-Y191 HydrophobicContact CD-CE2 3.84Å; K184-Y191 HydrophobicContact CD-CG 4.47Å; K184-Y191 PolarHBondContact NZ-OH 3.33Å |
| 185 | S | 86 | Confident | 83.9 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.1 | -18.2 | -175.6 | 72.1 | 0 | 0 | 0 | 0 | 114 | W181 H182 T187 S188 | W181-S185 WeakPolarHBondContact O-CB 3.43Å; W181-S185 PolarHBondContact O-N 3.26Å; H182-S185 WeakPolarHBondContact CA-OG 3.24Å; H182-S185 PolarHBondContact O-OG 3.28Å; S185-T187 PolarHBondContact O-N 2.66Å; S185-S188 WeakPolarHBondContact CA-O 3.48Å |
| 186 | K | 84.7 | Confident | 84.6 | Confident | 162 Ų | 162 | 68 Ų | 68 | 70% | 0.704 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.5 | 166 | -63.3 | -178.8 | 175.7 | -177.4 | 0 | 114 | K184 | K184-K186 PolarHBondContact O-N 3.06Š|
| 187 | T | 87.4 | Confident | 85.7 | Confident | 131 Ų | 131 | 72.6 Ų | 72.6 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -21.4 | -177.5 | -47 | 0 | 0 | 0 | 0 | 112 | K184 S185 | K184-T187 PolarHBondContact O-N 3.13Å; S185-T187 PolarHBondContact O-N 2.66Å |
| 188 | S | 87.8 | Confident | 86.5 | Confident | 50 Ų | 50 | 73 Ų | 73 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | trans | -151 | 118.2 | -177 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | K184 S185 F190 Y191 | K184-S188 PolarHBondContact O-N 3.34Å; K184-S188 VanDerWaalsContact O-N 3.17Å; S185-S188 WeakPolarHBondContact CA-O 3.48Å; S188-F190 PolarHBondContact O-N 3.38Å; S188-F190 VanDerWaalsContact O-N 3.11Å; S188-Y191 PolarHBondContact O-N 3.35Å; S188-Y191 VanDerWaalsContact O-N 3.08Å | ||
| 189 | V | 90.3 | Very high | 86.8 | Confident | 99 Ų | 99 | 73.1 Ų | 73.1 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.2 | -27.7 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | Y191 I192 L193 | V189-Y191 PolarHBondContact O-N 3.09Å; V189-Y191 VanDerWaalsContact O-N 3.17Å; V189-I192 WeakPolarHBondContact O-CA 3.2Å; V189-I192 WeakPolarHBondContact O-CB 3.28Å; V189-I192 PolarHBondContact O-N 3.23Å; V189-L193 HydrophobicContact CG1-CD1 4.22Å; V189-L193 HydrophobicContact CG1-CG 4.29Å; V189-L193 PolarHBondContact O-N 3.1Å |
| 190 | F | 91.8 | Very high | 87.6 | Confident | 139 Ų | 139 | 77.3 Ų | 77.3 | 61% | 0.61 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -49.9 | -40.6 | 173.9 | 177.4 | -95.7 | 0 | 0 | 0 | 112.9 | S188 L193 A194 | S188-F190 PolarHBondContact O-N 3.38Å; S188-F190 VanDerWaalsContact O-N 3.11Å; F190-L193 PolarHBondContact O-N 3.12Å; F190-A194 VanDerWaalsContact O-CB 3.3Å; F190-A194 WeakPolarHBondContact O-CB 3.34Å; F190-A194 PolarHBondContact O-N 3.47Å |
| 191 | Y | 87.9 | Confident | 88.5 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 22% | 0.216 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -74.8 | -24.4 | 179.2 | -69.5 | -89.2 | 0 | 0 | 0 | 113.2 | W181 K184 S188 V189 I195 | W181-Y191 HydrophobicContact CB-CD1 4.17Å; W181-Y191 AromaticContact CD1-CD1 3.97Å; W181-Y191 AromaticContact CG-CD1 3.96Å; W181-Y191 HydrophobicContact CG-CD1 3.96Å; K184-Y191 HydrophobicContact CB-CD1 4.06Å; K184-Y191 HydrophobicContact CB-CD2 3.81Å; K184-Y191 HydrophobicContact CB-CE1 4.28Å; K184-Y191 HydrophobicContact CB-CE2 4.06Å; K184-Y191 HydrophobicContact CB-CG 3.81Å; K184-Y191 HydrophobicContact CD-CD1 4.06Å; K184-Y191 HydrophobicContact CD-CD2 4.37Å; K184-Y191 HydrophobicContact CD-CE1 3.46Å; K184-Y191 VanDerWaalsContact CD-CE1 3.46Å; K184-Y191 HydrophobicContact CD-CE2 3.84Å; K184-Y191 HydrophobicContact CD-CG 4.47Å; K184-Y191 PolarHBondContact NZ-OH 3.33Å; S188-Y191 PolarHBondContact O-N 3.35Å; S188-Y191 VanDerWaalsContact O-N 3.08Å; V189-Y191 PolarHBondContact O-N 3.09Å; V189-Y191 VanDerWaalsContact O-N 3.17Å; Y191-I195 WeakPolarHBondContact O-CD1 3.48Å; Y191-I195 WeakPolarHBondContact O-CG1 3.28Å; Y191-I195 PolarHBondContact O-N 3.34Å |
| 192 | I | 87.7 | Confident | 88.9 | Confident | 48 Ų | 48 | 74.9 Ų | 74.9 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.5 | -47.9 | 169 | -95.6 | 145.4 | 0 | 0 | 0 | 109.8 | V189 A194 I195 Y196 | V189-I192 WeakPolarHBondContact O-CA 3.2Å; V189-I192 WeakPolarHBondContact O-CB 3.28Å; V189-I192 PolarHBondContact O-N 3.23Å; I192-A194 PolarHBondContact O-N 2.69Å; I192-I195 PolarHBondContact O-N 3.47Å; I192-Y196 HydrophobicContact CG2-CD2 4.06Å; I192-Y196 HydrophobicContact CG2-CE2 4Å; I192-Y196 VanDerWaalsContact O-CD2 3.28Å; I192-Y196 WeakPolarHBondContact O-CD2 3.39Å; I192-Y196 PolarHBondContact O-N 2.91Å; I192-Y196 VanDerWaalsContact O-N 3.13Å |
| 193 | L | 91 | Very high | 89.4 | Confident | 95 Ų | 95 | 74.3 Ų | 74.3 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.1 | -68.3 | 170 | 0 | 0 | 0 | 111.2 | V189 F190 I195 Y196 I197 | V189-L193 HydrophobicContact CG1-CD1 4.22Å; V189-L193 HydrophobicContact CG1-CG 4.29Å; V189-L193 PolarHBondContact O-N 3.1Å; F190-L193 PolarHBondContact O-N 3.12Å; L193-I195 PolarHBondContact O-N 3.36Å; L193-Y196 PolarHBondContact O-N 3.35Å; L193-I197 HydrophobicContact CB-CD1 4.37Å; L193-I197 WeakPolarHBondContact O-CB 3.46Å; L193-I197 VanDerWaalsContact O-CG1 3.27Å; L193-I197 WeakPolarHBondContact O-CG1 3.29Å; L193-I197 PolarHBondContact O-N 3.34Å |
| 194 | A | 90.1 | Very high | 90.1 | Very high | 18 Ų | 18 | 71.6 Ų | 71.6 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | W181 F190 I192 V198 | W181-A194 HydrophobicContact CE3-CB 4.28Å; W181-A194 HydrophobicContact CZ3-CB 4.06Å; F190-A194 VanDerWaalsContact O-CB 3.3Å; F190-A194 WeakPolarHBondContact O-CB 3.34Å; F190-A194 PolarHBondContact O-N 3.47Å; I192-A194 PolarHBondContact O-N 2.69Å; A194-V198 WeakPolarHBondContact O-CB 3.38Å; A194-V198 VanDerWaalsContact O-CG2 3.24Å; A194-V198 WeakPolarHBondContact O-CG2 3.34Å; A194-V198 PolarHBondContact O-N 3.02Å |
| 195 | I | 89 | Confident | 90.5 | Very high | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 173.9 | -71.8 | 165.4 | 0 | 0 | 0 | 110.3 | W181 H182 Y191 I192 L193 T199 | W181-I195 HydrophobicContact CB-CD1 3.88Å; W181-I195 HydrophobicContact CB-CG1 3.96Å; W181-I195 HydrophobicContact CE3-CG1 3.91Å; H182-I195 HydrophobicContact CB-CD1 4.33Å; Y191-I195 WeakPolarHBondContact O-CD1 3.48Å; Y191-I195 WeakPolarHBondContact O-CG1 3.28Å; Y191-I195 PolarHBondContact O-N 3.34Å; I192-I195 PolarHBondContact O-N 3.47Å; L193-I195 PolarHBondContact O-N 3.36Å; I195-T199 WeakPolarHBondContact O-CB 3.45Å; I195-T199 PolarHBondContact O-N 3.29Å; I195-T199 PolarHBondContact O-OG1 3.16Å |
| 196 | Y | 90.3 | Very high | 90.8 | Very high | 103 Ų | 103 | 70.7 Ų | 70.7 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68 | -46.7 | -178.2 | -75.3 | -61.7 | 0 | 0 | 0 | 113 | I192 L193 V198 T199 L200 W256 | I192-Y196 HydrophobicContact CG2-CD2 4.06Å; I192-Y196 HydrophobicContact CG2-CE2 4Å; I192-Y196 VanDerWaalsContact O-CD2 3.28Å; I192-Y196 WeakPolarHBondContact O-CD2 3.39Å; I192-Y196 PolarHBondContact O-N 2.91Å; I192-Y196 VanDerWaalsContact O-N 3.13Å; L193-Y196 PolarHBondContact O-N 3.35Å; Y196-V198 PolarHBondContact O-N 3.26Å; Y196-T199 PolarHBondContact O-N 3.09Å; Y196-L200 WeakPolarHBondContact O-CB 3.49Å; Y196-L200 PolarHBondContact O-N 3.46Å; Y196-W256 HydrophobicContact CD1-CE3 4.3Å; Y196-W256 HydrophobicContact CD1-CZ3 4.27Å; Y196-W256 AromaticContact CE1-CE3 3.9Å; Y196-W256 HydrophobicContact CE1-CE3 3.9Å; Y196-W256 AromaticContact CE1-CZ3 3.68Å; Y196-W256 HydrophobicContact CE1-CZ3 3.68Å |
| 197 | I | 93 | Very high | 91.3 | Very high | 111 Ų | 111 | 67.9 Ų | 67.9 | 57% | 0.569 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.2 | -47.2 | -179.2 | -68 | 165.5 | 0 | 0 | 0 | 110.7 | L193 L200 S201 | L193-I197 HydrophobicContact CB-CD1 4.37Å; L193-I197 WeakPolarHBondContact O-CB 3.46Å; L193-I197 VanDerWaalsContact O-CG1 3.27Å; L193-I197 WeakPolarHBondContact O-CG1 3.29Å; L193-I197 PolarHBondContact O-N 3.34Å; I197-L200 PolarHBondContact O-N 3.24Å; I197-S201 WeakPolarHBondContact O-CB 3.45Å; I197-S201 PolarHBondContact O-N 3.11Å; I197-S201 PolarHBondContact O-OG 3.46Å |
| 198 | V | 91.5 | Very high | 91.7 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | W181 A194 Y196 S201 L202 L257 | W181-V198 HydrophobicContact CH2-CG2 4.44Å; W181-V198 HydrophobicContact CZ3-CG2 4.24Å; A194-V198 WeakPolarHBondContact O-CB 3.38Å; A194-V198 VanDerWaalsContact O-CG2 3.24Å; A194-V198 WeakPolarHBondContact O-CG2 3.34Å; A194-V198 PolarHBondContact O-N 3.02Å; Y196-V198 PolarHBondContact O-N 3.26Å; V198-S201 PolarHBondContact O-OG 3.24Å; V198-L202 HydrophobicContact CG1-CD1 3.83Å; V198-L202 HydrophobicContact CG1-CG 4.31Å; V198-L202 WeakPolarHBondContact O-CB 3.47Å; V198-L202 WeakPolarHBondContact O-CD1 3.5Å; V198-L202 WeakPolarHBondContact O-CG 3.37Å; V198-L202 PolarHBondContact O-N 2.8Å; V198-L202 VanDerWaalsContact O-N 3.16Å; V198-L257 HydrophobicContact CB-CD1 4.15Å; V198-L257 HydrophobicContact CG1-CD1 3.64Å |
| 199 | T | 91.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.043 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 173.2 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | I195 Y196 Y203 W256 L257 A260 | I195-T199 WeakPolarHBondContact O-CB 3.45Å; I195-T199 PolarHBondContact O-N 3.29Å; I195-T199 PolarHBondContact O-OG1 3.16Å; Y196-T199 PolarHBondContact O-N 3.09Å; T199-Y203 HydrophobicContact CG2-CD2 4.01Å; T199-Y203 HydrophobicContact CG2-CE2 3.72Å; T199-Y203 WeakPolarHBondContact O-CD2 3.4Å; T199-Y203 PolarHBondContact O-N 3.28Å; T199-W256 HydrophobicContact CG2-CB 3.76Å; T199-L257 WeakPolarHBondContact OG1-CA 3.26Å; T199-L257 PolarHBondContact OG1-N 3.17Å; T199-A260 HydrophobicContact CG2-CB 4Å |
| 200 | L | 92.4 | Very high | 92.2 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 67% | 0.665 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.7 | -45.9 | -178.6 | -178.6 | 61 | 0 | 0 | 0 | 111.8 | Y196 I197 L202 Y203 A204 | Y196-L200 WeakPolarHBondContact O-CB 3.49Å; Y196-L200 PolarHBondContact O-N 3.46Å; I197-L200 PolarHBondContact O-N 3.24Å; L200-L202 PolarHBondContact O-N 3.06Å; L200-Y203 PolarHBondContact O-N 2.73Å; L200-A204 PolarHBondContact O-N 2.85Å |
| 201 | S | 93.8 | Very high | 92.3 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | -179.6 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | I197 V198 A204 V205 | I197-S201 WeakPolarHBondContact O-CB 3.45Å; I197-S201 PolarHBondContact O-N 3.11Å; I197-S201 PolarHBondContact O-OG 3.46Å; V198-S201 PolarHBondContact O-OG 3.24Å; S201-A204 PolarHBondContact O-N 3.01Å; S201-V205 WeakPolarHBondContact O-CB 3.43Å; S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.39Å; S201-V205 PolarHBondContact O-N 3.28Å |
| 202 | L | 93.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.6 | -73.9 | 171.5 | 0 | 0 | 0 | 112.9 | V198 L200 A206 L257 A260 I261 A264 | V198-L202 HydrophobicContact CG1-CD1 3.83Å; V198-L202 HydrophobicContact CG1-CG 4.31Å; V198-L202 WeakPolarHBondContact O-CB 3.47Å; V198-L202 WeakPolarHBondContact O-CD1 3.5Å; V198-L202 WeakPolarHBondContact O-CG 3.37Å; V198-L202 PolarHBondContact O-N 2.8Å; V198-L202 VanDerWaalsContact O-N 3.16Å; L200-L202 PolarHBondContact O-N 3.06Å; L202-A206 WeakPolarHBondContact O-CB 3.49Å; L202-A206 PolarHBondContact O-N 2.91Å; L202-L257 HydrophobicContact CD1-CD1 4.06Å; L202-A260 HydrophobicContact CB-CB 3.88Å; L202-A260 HydrophobicContact CD1-CB 4.26Å; L202-I261 HydrophobicContact CD1-CB 4.44Å; L202-I261 HydrophobicContact CD1-CG1 3.49Å; L202-I261 VanDerWaalsContact CD1-CG1 3.49Å; L202-A264 HydrophobicContact CB-CB 4.36Å; L202-A264 HydrophobicContact CD2-CB 3.9Å |
| 203 | Y | 93.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 172.7 | -75.2 | -57.3 | 0 | 0 | 0 | 112.3 | T199 L200 A206 I207 A241 A260 Y890 | T199-Y203 HydrophobicContact CG2-CD2 4.01Å; T199-Y203 HydrophobicContact CG2-CE2 3.72Å; T199-Y203 WeakPolarHBondContact O-CD2 3.4Å; T199-Y203 PolarHBondContact O-N 3.28Å; L200-Y203 PolarHBondContact O-N 2.73Å; Y203-A206 PolarHBondContact O-N 3.19Å; Y203-I207 WeakPolarHBondContact O-CG1 3.43Å; Y203-I207 PolarHBondContact O-N 3.47Å; Y203-A241 HydrophobicContact CD1-CB 4.26Å; Y203-A241 HydrophobicContact CE1-CB 3.67Å; Y203-A260 HydrophobicContact CD1-CB 4.43Å; Y203-A260 HydrophobicContact CD2-CB 3.86Å; Y203-A260 HydrophobicContact CE1-CB 4.17Å; Y203-A260 HydrophobicContact CE2-CB 3.58Å; Y203-A260 HydrophobicContact CG-CB 4.27Å; Y203-A260 PolarHBondContact OH-N 2.78Å; Y203-Y890 PolarHBondContact OH-OH 2.92Å |
| 204 | A | 94.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L200 S201 A206 I207 C208 | L200-A204 PolarHBondContact O-N 2.85Å; S201-A204 PolarHBondContact O-N 3.01Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A204-A206 PolarHBondContact O-N 2.83Å; A204-I207 PolarHBondContact O-N 3.1Å; A204-C208 PolarHBondContact O-N 3.26Å; A204-C208 PolarHBondContact O-SG 3.32Å; A204-C208 VanDerWaalsContact O-SG 3.35Å |
| 205 | V | 92.7 | Very high | 92.8 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.9 | -43.4 | 173.7 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | S201 I207 C208 A209 | S201-V205 WeakPolarHBondContact O-CB 3.43Å; S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.39Å; S201-V205 PolarHBondContact O-N 3.28Å; V205-I207 PolarHBondContact O-N 3.2Å; V205-C208 PolarHBondContact O-N 3.35Å; V205-A209 WeakPolarHBondContact O-CB 3.38Å; V205-A209 PolarHBondContact O-N 3.31Å |
| 206 | A | 93.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L202 Y203 A204 A209 Y210 A267 | L202-A206 WeakPolarHBondContact O-CB 3.49Å; L202-A206 PolarHBondContact O-N 2.91Å; Y203-A206 PolarHBondContact O-N 3.19Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A204-A206 PolarHBondContact O-N 2.83Å; A206-A209 PolarHBondContact O-N 3.41Å; A206-Y210 WeakPolarHBondContact O-CD2 3.42Å; A206-Y210 PolarHBondContact O-N 3.2Å; A206-A267 HydrophobicContact CB-CB 4.4Å |
| 207 | I | 94.6 | Very high | 92.4 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -52.2 | 176.8 | -68.1 | 163.9 | 0 | 0 | 0 | 110.6 | Y203 A204 V205 A209 Y210 T211 | Y203-I207 WeakPolarHBondContact O-CG1 3.43Å; Y203-I207 PolarHBondContact O-N 3.47Å; A204-I207 PolarHBondContact O-N 3.1Å; V205-I207 PolarHBondContact O-N 3.2Å; I207-A209 PolarHBondContact O-N 3.45Å; I207-Y210 PolarHBondContact O-N 3.33Å; I207-T211 PolarHBondContact O-N 3.35Å; I207-T211 PolarHBondContact O-OG1 3.08Å |
| 208 | C | 94.7 | Very high | 92 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 58% | 0.581 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.5 | -38.1 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 112 | A204 V205 A212 | A204-C208 PolarHBondContact O-N 3.26Å; A204-C208 PolarHBondContact O-SG 3.32Å; A204-C208 VanDerWaalsContact O-SG 3.35Å; V205-C208 PolarHBondContact O-N 3.35Å; C208-A212 WeakPolarHBondContact O-CB 3.33Å; C208-A212 PolarHBondContact O-N 3.09Å |
| 209 | A | 92.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -50 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V205 A206 I207 T211 A212 F213 A267 | V205-A209 WeakPolarHBondContact O-CB 3.38Å; V205-A209 PolarHBondContact O-N 3.31Å; A206-A209 PolarHBondContact O-N 3.41Å; I207-A209 PolarHBondContact O-N 3.45Å; A209-T211 VanDerWaalsContact C-N 3.34Å; A209-T211 PolarHBondContact O-N 3.36Å; A209-A212 WeakPolarHBondContact O-CB 3.3Å; A209-A212 PolarHBondContact O-N 3.25Å; A209-F213 HydrophobicContact CB-CE1 4.16Å; A209-F213 HydrophobicContact CB-CE2 4.13Å; A209-F213 HydrophobicContact CB-CZ 3.61Å; A209-F213 WeakPolarHBondContact O-CD1 3.43Å; A209-F213 WeakPolarHBondContact O-CD2 3.45Å; A209-F213 WeakPolarHBondContact O-CE1 3.32Å; A209-F213 WeakPolarHBondContact O-CG 3.28Å; A209-F213 PolarHBondContact O-N 2.94Å; A209-A267 HydrophobicContact CB-CB 4.27Å |
| 210 | Y | 95.7 | Very high | 90.9 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 9% | 0.09 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 177 | -75 | -62.9 | 0 | 0 | 0 | 112.8 | A206 I207 F213 V214 T230 N233 T237 V266 A267 T270 | A206-Y210 WeakPolarHBondContact O-CD2 3.42Å; A206-Y210 PolarHBondContact O-N 3.2Å; I207-Y210 PolarHBondContact O-N 3.33Å; Y210-F213 AromaticContact CD1-CD2 3.77Å; Y210-F213 HydrophobicContact CD1-CD2 3.77Å; Y210-F213 AromaticContact CD1-CE2 3.99Å; Y210-F213 HydrophobicContact CD1-CE2 3.99Å; Y210-F213 HydrophobicContact CE1-CD2 4.3Å; Y210-F213 HydrophobicContact CE1-CE2 4.24Å; Y210-F213 HydrophobicContact CG-CD2 4.46Å; Y210-F213 PolarHBondContact O-N 3.43Å; Y210-V214 PolarHBondContact O-N 3.22Å; Y210-V214 VanDerWaalsContact O-N 3.11Å; Y210-T230 HydrophobicContact CD1-CG2 4.13Å; Y210-N233 HydrophobicContact CE1-CB 4.03Å; Y210-N233 PolarHBondContact OH-O 3.33Å; Y210-T237 HydrophobicContact CE2-CG2 4.36Å; Y210-T237 WeakPolarHBondContact CE2-OG1 3.24Å; Y210-T237 PolarHBondContact OH-OG1 3.5Å; Y210-V266 WeakPolarHBondContact OH-CG1 3.48Å; Y210-A267 HydrophobicContact CD2-CB 4.44Å; Y210-A267 HydrophobicContact CE2-CB 3.86Å; Y210-A267 PolarHBondContact OH-N 3.27Å; Y210-T270 HydrophobicContact CE1-CG2 4.3Å |
| 211 | T | 93.8 | Very high | 90 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 172.7 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | I207 A209 F213 V214 L215 | I207-T211 PolarHBondContact O-N 3.35Å; I207-T211 PolarHBondContact O-OG1 3.08Å; A209-T211 VanDerWaalsContact C-N 3.34Å; A209-T211 PolarHBondContact O-N 3.36Å; T211-F213 VanDerWaalsContact C-N 3.31Å; T211-F213 PolarHBondContact O-N 2.98Å; T211-V214 PolarHBondContact O-N 2.89Å; T211-L215 HydrophobicContact CG2-CD1 4.03Å; T211-L215 HydrophobicContact CG2-CG 4.44Å; T211-L215 WeakPolarHBondContact O-CG 3.34Å; T211-L215 PolarHBondContact O-N 3.24Å |
| 212 | A | 92.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | C208 A209 L215 F216 | C208-A212 WeakPolarHBondContact O-CB 3.33Å; C208-A212 PolarHBondContact O-N 3.09Å; A209-A212 WeakPolarHBondContact O-CB 3.3Å; A209-A212 PolarHBondContact O-N 3.25Å; A212-L215 PolarHBondContact O-N 3.03Å; A212-F216 HydrophobicContact CB-CD2 4Å; A212-F216 HydrophobicContact CB-CE2 4.07Å; A212-F216 WeakPolarHBondContact O-CB 3.25Å; A212-F216 WeakPolarHBondContact O-CD2 3.03Å; A212-F216 PolarHBondContact O-N 2.86Å |
| 213 | F | 92.9 | Very high | 88.7 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 4% | 0.044 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 176.8 | -54 | -21.8 | 0 | 0 | 0 | 111.9 | A209 Y210 T211 Y217 G218 T230 A267 T270 W271 L274 | A209-F213 HydrophobicContact CB-CE1 4.16Å; A209-F213 HydrophobicContact CB-CE2 4.13Å; A209-F213 HydrophobicContact CB-CZ 3.61Å; A209-F213 WeakPolarHBondContact O-CD1 3.43Å; A209-F213 WeakPolarHBondContact O-CD2 3.45Å; A209-F213 WeakPolarHBondContact O-CE1 3.32Å; A209-F213 WeakPolarHBondContact O-CG 3.28Å; A209-F213 PolarHBondContact O-N 2.94Å; Y210-F213 AromaticContact CD1-CD2 3.77Å; Y210-F213 HydrophobicContact CD1-CD2 3.77Å; Y210-F213 AromaticContact CD1-CE2 3.99Å; Y210-F213 HydrophobicContact CD1-CE2 3.99Å; Y210-F213 HydrophobicContact CE1-CD2 4.3Å; Y210-F213 HydrophobicContact CE1-CE2 4.24Å; Y210-F213 HydrophobicContact CG-CD2 4.46Å; Y210-F213 PolarHBondContact O-N 3.43Å; T211-F213 VanDerWaalsContact C-N 3.31Å; T211-F213 PolarHBondContact O-N 2.98Å; F213-Y217 WeakPolarHBondContact O-CA 3.28Å; F213-Y217 WeakPolarHBondContact O-CB 3.47Å; F213-Y217 PolarHBondContact O-N 3.07Å; F213-G218 PolarHBondContact O-N 3.15Å; F213-T230 HydrophobicContact CB-CG2 3.7Å; F213-T230 HydrophobicContact CD2-CG2 4.32Å; F213-A267 HydrophobicContact CE2-CB 4.36Å; F213-A267 WeakPolarHBondContact CE2-O 3.27Å; F213-A267 WeakPolarHBondContact CZ-O 3.36Å; F213-T270 HydrophobicContact CD2-CG2 4.1Å; F213-T270 HydrophobicContact CE2-CG2 4.32Å; F213-W271 HydrophobicContact CD1-CB 4.4Å; F213-W271 HydrophobicContact CE1-CB 3.5Å; F213-W271 HydrophobicContact CE1-CD2 4.44Å; F213-W271 AromaticContact CE1-CG 3.72Å; F213-W271 HydrophobicContact CE1-CG 3.72Å; F213-W271 HydrophobicContact CE2-CB 4.37Å; F213-W271 HydrophobicContact CZ-CB 3.5Å; F213-W271 VanDerWaalsContact CZ-CB 3.5Å; F213-W271 HydrophobicContact CZ-CG 4.2Å; F213-L274 HydrophobicContact CB-CD1 3.91Å; F213-L274 HydrophobicContact CD2-CD1 4.44Å; F213-L274 HydrophobicContact CG-CD1 4.04Å |
| 214 | V | 91.7 | Very high | 88.3 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -62.2 | -46.8 | 174.1 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | Y210 T211 G218 L219 L227 T230 | Y210-V214 PolarHBondContact O-N 3.22Å; Y210-V214 VanDerWaalsContact O-N 3.11Å; T211-V214 PolarHBondContact O-N 2.89Å; V214-G218 WeakPolarHBondContact O-CA 3.48Å; V214-G218 PolarHBondContact O-N 3.37Å; V214-L219 HydrophobicContact CG1-CD1 4.1Å; V214-L219 HydrophobicContact CG1-CD2 4.38Å; V214-L219 HydrophobicContact CG1-CG 3.91Å; V214-L219 PolarHBondContact O-N 3.25Å; V214-L227 HydrophobicContact CG1-CD1 4.4Å; V214-T230 HydrophobicContact CG2-CG2 3.77Å |
| 215 | L | 90.7 | Very high | 87.7 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -66.3 | -42.2 | -178.2 | -67.8 | 175.6 | 0 | 0 | 0 | 113.7 | T211 A212 L219 P220 | T211-L215 HydrophobicContact CG2-CD1 4.03Å; T211-L215 HydrophobicContact CG2-CG 4.44Å; T211-L215 WeakPolarHBondContact O-CG 3.34Å; T211-L215 PolarHBondContact O-N 3.24Å; A212-L215 PolarHBondContact O-N 3.03Å; L215-L219 HydrophobicContact CD2-CD1 4.12Å; L215-P220 VanDerWaalsContact O-CD 3.28Å; L215-P220 WeakPolarHBondContact O-CD 3.35Å; L215-P220 VanDerWaalsContact O-CG 3.28Å; L215-P220 WeakPolarHBondContact O-CG 3.31Å |
| 216 | F | 87 | Confident | 87.5 | Confident | 127 Ų | 127 | 59.1 Ų | 59.1 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -98.3 | -27.7 | -172.4 | -62.9 | -58.5 | 0 | 0 | 0 | 115.1 | A212 | A212-F216 HydrophobicContact CB-CD2 4Å; A212-F216 HydrophobicContact CB-CE2 4.07Å; A212-F216 WeakPolarHBondContact O-CB 3.25Å; A212-F216 WeakPolarHBondContact O-CD2 3.03Å; A212-F216 PolarHBondContact O-N 2.86Å |
| 217 | Y | 85 | Confident | 87.3 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -116.7 | -15 | -175.9 | -62.4 | -96.6 | 0 | 0 | 0 | 113.6 | F213 N226 W271 L274 L356 P357 | F213-Y217 WeakPolarHBondContact O-CA 3.28Å; F213-Y217 WeakPolarHBondContact O-CB 3.47Å; F213-Y217 PolarHBondContact O-N 3.07Å; Y217-N226 WeakPolarHBondContact O-CB 2.98Å; Y217-N226 PolarHBondContact O-ND2 3.04Å; Y217-W271 PolarHBondContact OH-NE1 3.31Å; Y217-L274 HydrophobicContact CD1-CB 3.9Å; Y217-L274 HydrophobicContact CD2-CD1 4.37Å; Y217-L274 HydrophobicContact CE1-CB 4.1Å; Y217-L274 HydrophobicContact CG-CB 4.23Å; Y217-L274 HydrophobicContact CG-CD1 4.22Å; Y217-L356 HydrophobicContact CE1-CD2 4.32Å; Y217-P357 HydrophobicContact CE1-CG 4.11Å |
| 218 | G | 83.3 | Confident | 87 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -102 | -67 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F213 V214 Q222 C223 | F213-G218 PolarHBondContact O-N 3.15Å; V214-G218 WeakPolarHBondContact O-CA 3.48Å; V214-G218 PolarHBondContact O-N 3.37Å; G218-Q222 WeakPolarHBondContact O-CA 3.43Å; G218-Q222 PolarHBondContact O-N 2.78Å; G218-C223 PolarHBondContact O-N 2.95Å |
| 219 | L | 84.5 | Confident | 86.8 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -65.4 | -42.8 | -169.9 | -65.1 | 178.4 | 0 | 0 | 0 | 116.2 | V214 L215 R221 Q222 | V214-L219 HydrophobicContact CG1-CD1 4.1Å; V214-L219 HydrophobicContact CG1-CD2 4.38Å; V214-L219 HydrophobicContact CG1-CG 3.91Å; V214-L219 PolarHBondContact O-N 3.25Å; L215-L219 HydrophobicContact CD2-CD1 4.12Å; L219-R221 PolarHBondContact O-N 3.04Å; L219-Q222 PolarHBondContact O-N 3.46Å; L219-Q222 VanDerWaalsContact O-N 3.13Å |
| 220 | P | 76.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -59.1 | -24.5 | -165.3 | -28.6 | 36.6 | 0 | 0 | 0 | 115.7 | L215 | L215-P220 VanDerWaalsContact O-CD 3.28Å; L215-P220 WeakPolarHBondContact O-CD 3.35Å; L215-P220 VanDerWaalsContact O-CG 3.28Å; L215-P220 WeakPolarHBondContact O-CG 3.31Å |
| 221 | R | 73 | Confident | 86.7 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -134.3 | 16.7 | 179.1 | -66.2 | -66.6 | -149.5 | -152.1 | 7.3 | 112.8 | L219 C223 E354 | L219-R221 PolarHBondContact O-N 3.04Å; R221-C223 VanDerWaalsContact C-N 3.33Å; R221-C223 PolarHBondContact O-N 2.98Å; R221-E354 HydrophobicContact CG-CB 4.12Å; R221-E354 WeakPolarHBondContact CG-O 3.35Å; R221-E354 IonicContact CZ-OE2 2.85Å; R221-E354 IonicContact NE-OE2 2.99Å; R221-E354 PolarHBondContact NE-OE2 3.12Å; R221-E354 IonicContact NH2-OE2 3.32Å; R221-E354 PolarHBondContact NH2-OE2 2.88Å |
| 222 | Q | 78.8 | Confident | 86.7 | Confident | 163 Ų | 163 | 57.6 Ų | 57.6 | 76% | 0.762 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 50.2 | -174.1 | -58 | -172.7 | 19.7 | 0 | 0 | 113.3 | G218 L219 T224 | G218-Q222 WeakPolarHBondContact O-CA 3.43Å; G218-Q222 PolarHBondContact O-N 2.78Å; L219-Q222 PolarHBondContact O-N 3.46Å; L219-Q222 VanDerWaalsContact O-N 3.13Å; Q222-T224 PolarHBondContact O-N 3.11Å |
| 223 | C | 81.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | trans | -74.8 | 88.4 | -172.8 | -69.8 | 0 | 0 | 0 | 0 | 112 | G218 R221 L225 N226 L227 Q323 C355 | G218-C223 PolarHBondContact O-N 2.95Å; R221-C223 VanDerWaalsContact C-N 3.33Å; R221-C223 PolarHBondContact O-N 2.98Å; C223-L225 VanDerWaalsContact C-N 3.27Å; C223-L225 PolarHBondContact O-N 2.92Å; C223-N226 HydrophobicContact CB-CB 4.03Å; C223-N226 PolarHBondContact O-N 3.28Å; C223-L227 WeakPolarHBondContact O-CB 3.25Å; C223-L227 PolarHBondContact O-N 2.98Å; C223-Q323 VanDerWaalsContact C-OE1 3.31Å; C223-Q323 VanDerWaalsContact CA-OE1 3.31Å; C223-C355 HydrophobicContact CB-CB 3.67Å; C223-C355 WeakPolarHBondContact CB-SG 3.31Å; C223-C355 WeakPolarHBondContact SG-CA 3.47Å; C223-C355 WeakPolarHBondContact SG-CB 3.49Å; C223-C355 CovalentContact SG-SG 2.02Å; C223-C355 PolarHBondContact SG-SG 3.17Å | ||
| 224 | T | 83.7 | Confident | 87 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -47.8 | -45.1 | -175.6 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | Q222 N226 L227 T228 | Q222-T224 PolarHBondContact O-N 3.11Å; T224-N226 PolarHBondContact O-N 3.17Å; T224-L227 PolarHBondContact O-N 3.44Å; T224-T228 VanDerWaalsContact O-CB 3.3Å; T224-T228 WeakPolarHBondContact O-CB 2.92Å; T224-T228 PolarHBondContact O-N 3.01Å; T224-T228 PolarHBondContact O-OG1 3.26Å |
| 225 | L | 82.8 | Confident | 87.2 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 179.2 | 178.9 | 61.5 | 0 | 0 | 0 | 111.5 | C223 V229 L320 W873 M876 W877 | C223-L225 VanDerWaalsContact C-N 3.27Å; C223-L225 PolarHBondContact O-N 2.92Å; L225-V229 HydrophobicContact CD1-CG2 4.17Å; L225-V229 WeakPolarHBondContact O-CB 3.33Å; L225-V229 VanDerWaalsContact O-CG2 3.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.47Å; L225-V229 PolarHBondContact O-N 2.9Å; L225-L320 HydrophobicContact CD2-CD2 3.63Å; L225-W873 HydrophobicContact CD2-CH2 4.27Å; L225-W873 HydrophobicContact CD2-CZ3 3.81Å; L225-M876 HydrophobicContact CD2-CE 4.22Å; L225-W877 HydrophobicContact CD1-CH2 4.36Å; L225-W877 HydrophobicContact CD1-CZ2 4.2Å |
| 226 | N | 88.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | -179.4 | -68.8 | 2.2 | 0 | 0 | 0 | 111.4 | Y217 C223 T224 T230 L274 Q277 C355 | Y217-N226 WeakPolarHBondContact O-CB 2.98Å; Y217-N226 PolarHBondContact O-ND2 3.04Å; C223-N226 HydrophobicContact CB-CB 4.03Å; C223-N226 PolarHBondContact O-N 3.28Å; T224-N226 PolarHBondContact O-N 3.17Å; N226-T230 WeakPolarHBondContact O-CB 3.33Å; N226-T230 PolarHBondContact O-N 2.98Å; N226-T230 PolarHBondContact O-OG1 3.37Å; N226-L274 HydrophobicContact CB-CD2 3.7Å; N226-L274 WeakPolarHBondContact OD1-CD2 3.48Å; N226-Q277 PolarHBondContact OD1-NE2 2.98Å; N226-C355 PolarHBondContact ND2-O 2.83Å; N226-C355 VanDerWaalsContact ND2-O 3.12Å |
| 227 | L | 88.8 | Confident | 87.8 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 40% | 0.403 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 178.8 | -173.4 | 62.5 | 0 | 0 | 0 | 111.5 | V214 C223 T224 G231 | V214-L227 HydrophobicContact CG1-CD1 4.4Å; C223-L227 WeakPolarHBondContact O-CB 3.25Å; C223-L227 PolarHBondContact O-N 2.98Å; T224-L227 PolarHBondContact O-N 3.44Å; L227-G231 PolarHBondContact O-N 3.42Å |
| 228 | T | 89.3 | Confident | 88.2 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64 | -47 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | T224 T230 G231 I232 | T224-T228 VanDerWaalsContact O-CB 3.3Å; T224-T228 WeakPolarHBondContact O-CB 2.92Å; T224-T228 PolarHBondContact O-N 3.01Å; T224-T228 PolarHBondContact O-OG1 3.26Å; T228-T230 PolarHBondContact O-N 3Å; T228-G231 PolarHBondContact O-N 3.34Å; T228-I232 HydrophobicContact CG2-CD1 3.71Å; T228-I232 HydrophobicContact CG2-CG1 4.44Å; T228-I232 WeakPolarHBondContact O-CB 3.5Å; T228-I232 VanDerWaalsContact O-CG1 3.29Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 3.36Å |
| 229 | V | 90.6 | Very high | 88.8 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.7 | 167 | 0 | 0 | 0 | 0 | 111.6 | L225 N233 T270 L880 | L225-V229 HydrophobicContact CD1-CG2 4.17Å; L225-V229 WeakPolarHBondContact O-CB 3.33Å; L225-V229 VanDerWaalsContact O-CG2 3.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.47Å; L225-V229 PolarHBondContact O-N 2.9Å; V229-N233 PolarHBondContact O-N 3.28Å; V229-N233 VanDerWaalsContact O-N 3.12Å; V229-T270 HydrophobicContact CG1-CG2 4.36Å; V229-L880 HydrophobicContact CB-CD2 4.47Å; V229-L880 HydrophobicContact CG1-CD1 3.69Å; V229-L880 HydrophobicContact CG1-CD2 3.95Å; V229-L880 HydrophobicContact CG1-CG 4.46Å; V229-L880 HydrophobicContact CG2-CD2 3.64Å |
| 230 | T | 92.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.4 | -58 | 0 | 0 | 0 | 0 | 111.2 | Y210 F213 V214 N226 T228 N233 G234 | Y210-T230 HydrophobicContact CD1-CG2 4.13Å; F213-T230 HydrophobicContact CB-CG2 3.7Å; F213-T230 HydrophobicContact CD2-CG2 4.32Å; V214-T230 HydrophobicContact CG2-CG2 3.77Å; N226-T230 WeakPolarHBondContact O-CB 3.33Å; N226-T230 PolarHBondContact O-N 2.98Å; N226-T230 PolarHBondContact O-OG1 3.37Å; T228-T230 PolarHBondContact O-N 3Å; T230-N233 PolarHBondContact O-N 2.99Å; T230-G234 PolarHBondContact O-N 3.16Å |
| 231 | G | 93 | Very high | 89.8 | Confident | 47 Ų | 47 | 50.1 Ų | 50.1 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L227 T228 G235 | L227-G231 PolarHBondContact O-N 3.42Å; T228-G231 PolarHBondContact O-N 3.34Å; G231-G235 WeakPolarHBondContact O-CA 3.35Å; G231-G235 PolarHBondContact O-N 3.07Å |
| 232 | I | 94.3 | Very high | 90.7 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 38% | 0.379 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -50.1 | 176.1 | -70.7 | 169.3 | 0 | 0 | 0 | 110.6 | T228 L236 | T228-I232 HydrophobicContact CG2-CD1 3.71Å; T228-I232 HydrophobicContact CG2-CG1 4.44Å; T228-I232 WeakPolarHBondContact O-CB 3.5Å; T228-I232 VanDerWaalsContact O-CG1 3.29Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 3.36Å; I232-L236 HydrophobicContact CG2-CD1 3.85Å; I232-L236 WeakPolarHBondContact O-CB 3.47Å; I232-L236 VanDerWaalsContact O-CG 3.29Å; I232-L236 WeakPolarHBondContact O-CG 3.42Å; I232-L236 PolarHBondContact O-N 3.49Å |
| 233 | N | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.8 | -39.7 | -176 | -67.4 | -2.5 | 0 | 0 | 0 | 111.8 | Y210 V229 T230 T237 V266 T270 L880 S883 W884 | Y210-N233 HydrophobicContact CE1-CB 4.03Å; Y210-N233 PolarHBondContact OH-O 3.33Å; V229-N233 PolarHBondContact O-N 3.28Å; V229-N233 VanDerWaalsContact O-N 3.12Å; T230-N233 PolarHBondContact O-N 2.99Å; N233-T237 WeakPolarHBondContact O-CB 3.44Å; N233-T237 WeakPolarHBondContact O-CG2 3.4Å; N233-T237 PolarHBondContact O-N 2.85Å; N233-T237 PolarHBondContact O-OG1 3.39Å; N233-V266 HydrophobicContact CB-CG1 4.26Å; N233-T270 HydrophobicContact CB-CG2 4.44Å; N233-T270 PolarHBondContact ND2-OG1 3.39Å; N233-L880 VanDerWaalsContact ND2-CD1 3.35Å; N233-L880 WeakPolarHBondContact ND2-CD1 3.4Å; N233-S883 PolarHBondContact ND2-OG 3.43Å; N233-W884 PolarHBondContact OD1-NE1 2.9Å |
| 234 | G | 95.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T230 L236 T237 L238 | T230-G234 PolarHBondContact O-N 3.16Å; G234-L236 PolarHBondContact O-N 3.42Å; G234-T237 WeakPolarHBondContact CA-OG1 3.34Å; G234-T237 PolarHBondContact O-N 2.85Å; G234-T237 PolarHBondContact O-OG1 2.93Å; G234-T237 VanDerWaalsContact O-OG1 3.05Å; G234-L238 VanDerWaalsContact O-CB 3.26Å; G234-L238 WeakPolarHBondContact O-CB 3.38Å; G234-L238 PolarHBondContact O-N 2.85Å |
| 235 | G | 95.8 | Very high | 91.6 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | G231 L239 | G231-G235 WeakPolarHBondContact O-CA 3.35Å; G231-G235 PolarHBondContact O-N 3.07Å; G235-L239 VanDerWaalsContact O-CB 3.26Å; G235-L239 WeakPolarHBondContact O-CB 3.42Å; G235-L239 PolarHBondContact O-N 3.49Å |
| 236 | L | 95.5 | Very high | 91.8 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.9 | -39.5 | 177.7 | -70.4 | 172.8 | 0 | 0 | 0 | 112.8 | I232 G234 L239 F240 L887 | I232-L236 HydrophobicContact CG2-CD1 3.85Å; I232-L236 WeakPolarHBondContact O-CB 3.47Å; I232-L236 VanDerWaalsContact O-CG 3.29Å; I232-L236 WeakPolarHBondContact O-CG 3.42Å; I232-L236 PolarHBondContact O-N 3.49Å; G234-L236 PolarHBondContact O-N 3.42Å; L236-L239 HydrophobicContact CD2-CD2 4.44Å; L236-L239 PolarHBondContact O-N 3.12Å; L236-F240 HydrophobicContact CB-CE2 4.26Å; L236-F240 HydrophobicContact CD2-CZ 4.14Å; L236-F240 WeakPolarHBondContact O-CB 3.44Å; L236-F240 VanDerWaalsContact O-CD2 3.24Å; L236-F240 WeakPolarHBondContact O-CD2 3.34Å; L236-F240 VanDerWaalsContact O-CG 3.24Å; L236-F240 WeakPolarHBondContact O-CG 3.39Å; L236-F240 PolarHBondContact O-N 3.44Å; L236-L887 HydrophobicContact CB-CD1 3.92Å; L236-L887 HydrophobicContact CB-CD2 3.91Å; L236-L887 HydrophobicContact CB-CG 4.49Å; L236-L887 HydrophobicContact CD1-CD1 3.98Å |
| 237 | T | 94.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 174.1 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | Y210 N233 G234 F240 A241 V266 L887 | Y210-T237 HydrophobicContact CE2-CG2 4.36Å; Y210-T237 WeakPolarHBondContact CE2-OG1 3.24Å; Y210-T237 PolarHBondContact OH-OG1 3.5Å; N233-T237 WeakPolarHBondContact O-CB 3.44Å; N233-T237 WeakPolarHBondContact O-CG2 3.4Å; N233-T237 PolarHBondContact O-N 2.85Å; N233-T237 PolarHBondContact O-OG1 3.39Å; G234-T237 WeakPolarHBondContact CA-OG1 3.34Å; G234-T237 PolarHBondContact O-N 2.85Å; G234-T237 PolarHBondContact O-OG1 2.93Å; G234-T237 VanDerWaalsContact O-OG1 3.05Å; T237-F240 PolarHBondContact O-N 3.37Å; T237-A241 WeakPolarHBondContact O-CB 3.19Å; T237-A241 PolarHBondContact O-N 2.97Å; T237-V266 HydrophobicContact CG2-CB 3.83Å; T237-V266 HydrophobicContact CG2-CG1 3.77Å; T237-V266 HydrophobicContact CG2-CG2 4.4Å; T237-L887 HydrophobicContact CG2-CD2 3.71Å |
| 238 | L | 94.2 | Very high | 91 | Very high | 101 Ų | 101 | 47.2 Ų | 47.2 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 174.3 | 179.7 | 59.7 | 0 | 0 | 0 | 111.5 | G234 F240 A241 I242 | G234-L238 VanDerWaalsContact O-CB 3.26Å; G234-L238 WeakPolarHBondContact O-CB 3.38Å; G234-L238 PolarHBondContact O-N 2.85Å; L238-F240 VanDerWaalsContact C-N 3.35Å; L238-F240 PolarHBondContact O-N 3.26Å; L238-A241 PolarHBondContact O-N 3.31Å; L238-I242 HydrophobicContact CD1-CD1 3.87Å; L238-I242 HydrophobicContact CD1-CG1 4.23Å; L238-I242 HydrophobicContact CG-CD1 3.86Å; L238-I242 WeakPolarHBondContact O-CB 3.35Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.32Å; L238-I242 PolarHBondContact O-N 2.95Å |
| 239 | L | 94.2 | Very high | 90.2 | Very high | 88 Ų | 88 | 47 Ų | 47 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.5 | -46.8 | 176.3 | 178.3 | 63.2 | 0 | 0 | 0 | 111.6 | G235 L236 I242 C243 | G235-L239 VanDerWaalsContact O-CB 3.26Å; G235-L239 WeakPolarHBondContact O-CB 3.42Å; G235-L239 PolarHBondContact O-N 3.49Å; L236-L239 HydrophobicContact CD2-CD2 4.44Å; L236-L239 PolarHBondContact O-N 3.12Å; L239-I242 PolarHBondContact O-N 3.05Å; L239-C243 WeakPolarHBondContact O-CB 3.46Å; L239-C243 PolarHBondContact O-N 2.76Å; L239-C243 PolarHBondContact O-SG 3.36Å |
| 240 | F | 92.7 | Very high | 89.5 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.2 | -30.6 | -179.6 | -60.7 | -26.2 | 0 | 0 | 0 | 113.3 | L236 T237 L238 S244 L887 Y890 A891 I894 | L236-F240 HydrophobicContact CB-CE2 4.26Å; L236-F240 HydrophobicContact CD2-CZ 4.14Å; L236-F240 WeakPolarHBondContact O-CB 3.44Å; L236-F240 VanDerWaalsContact O-CD2 3.24Å; L236-F240 WeakPolarHBondContact O-CD2 3.34Å; L236-F240 VanDerWaalsContact O-CG 3.24Å; L236-F240 WeakPolarHBondContact O-CG 3.39Å; L236-F240 PolarHBondContact O-N 3.44Å; T237-F240 PolarHBondContact O-N 3.37Å; L238-F240 VanDerWaalsContact C-N 3.35Å; L238-F240 PolarHBondContact O-N 3.26Å; F240-S244 VanDerWaalsContact O-CB 3.27Å; F240-S244 WeakPolarHBondContact O-CB 3.24Å; F240-S244 PolarHBondContact O-N 2.89Å; F240-S244 PolarHBondContact O-OG 3.2Å; F240-L887 HydrophobicContact CD2-CD2 3.81Å; F240-L887 HydrophobicContact CE2-CB 4.15Å; F240-L887 HydrophobicContact CE2-CD2 3.9Å; F240-L887 WeakPolarHBondContact CE2-O 3.21Å; F240-Y890 HydrophobicContact CB-CD1 3.68Å; F240-Y890 HydrophobicContact CB-CE1 3.55Å; F240-Y890 HydrophobicContact CB-CE2 4.4Å; F240-Y890 HydrophobicContact CB-CG 4.16Å; F240-Y890 HydrophobicContact CD2-CD1 4.1Å; F240-Y890 HydrophobicContact CD2-CG 4.37Å; F240-Y890 HydrophobicContact CG-CD1 4.36Å; F240-Y890 PolarHBondContact O-OH 3.35Å; F240-A891 HydrophobicContact CE1-CB 4.01Å; F240-A891 HydrophobicContact CE2-CB 3.97Å; F240-A891 HydrophobicContact CZ-CB 3.65Å; F240-I894 HydrophobicContact CB-CD1 3.76Å; F240-I894 HydrophobicContact CD1-CD1 4.35Å; F240-I894 HydrophobicContact CG-CD1 4.26Å; F240-I894 WeakPolarHBondContact O-CD1 3.42Å |
| 241 | A | 91.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y203 T237 L238 S244 A245 | Y203-A241 HydrophobicContact CD1-CB 4.26Å; Y203-A241 HydrophobicContact CE1-CB 3.67Å; T237-A241 WeakPolarHBondContact O-CB 3.19Å; T237-A241 PolarHBondContact O-N 2.97Å; L238-A241 PolarHBondContact O-N 3.31Å; A241-S244 WeakPolarHBondContact O-CB 3.27Å; A241-S244 PolarHBondContact O-N 3.22Å; A241-S244 VanDerWaalsContact O-N 3.15Å; A241-A245 PolarHBondContact O-N 3.28Å |
| 242 | I | 91.5 | Very high | 87.4 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 40% | 0.395 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 176 | -68.9 | 168.1 | 0 | 0 | 0 | 110.8 | L238 L239 S244 A245 F246 | L238-I242 HydrophobicContact CD1-CD1 3.87Å; L238-I242 HydrophobicContact CD1-CG1 4.23Å; L238-I242 HydrophobicContact CG-CD1 3.86Å; L238-I242 WeakPolarHBondContact O-CB 3.35Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.32Å; L238-I242 PolarHBondContact O-N 2.95Å; L239-I242 PolarHBondContact O-N 3.05Å; I242-S244 PolarHBondContact O-N 2.85Å; I242-A245 PolarHBondContact O-N 2.95Å; I242-F246 HydrophobicContact CG2-CD2 3.75Å; I242-F246 HydrophobicContact CG2-CE2 3.73Å; I242-F246 WeakPolarHBondContact O-CD2 3.32Å; I242-F246 PolarHBondContact O-N 3.47Å |
| 243 | C | 90.2 | Very high | 86.1 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -30 | 175.9 | -70.3 | 0 | 0 | 0 | 0 | 113 | L239 S247 I894 | L239-C243 WeakPolarHBondContact O-CB 3.46Å; L239-C243 PolarHBondContact O-N 2.76Å; L239-C243 PolarHBondContact O-SG 3.36Å; C243-S247 WeakPolarHBondContact O-CB 3.3Å; C243-S247 PolarHBondContact O-N 3.46Å; C243-S247 VanDerWaalsContact O-N 3.15Å; C243-I894 HydrophobicContact CB-CD1 4.29Å; C243-I894 HydrophobicContact CB-CG2 4.32Å |
| 244 | S | 87.7 | Confident | 84.8 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71 | -42.9 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | F240 A241 I242 S247 Y890 I894 | F240-S244 VanDerWaalsContact O-CB 3.27Å; F240-S244 WeakPolarHBondContact O-CB 3.24Å; F240-S244 PolarHBondContact O-N 2.89Å; F240-S244 PolarHBondContact O-OG 3.2Å; A241-S244 WeakPolarHBondContact O-CB 3.27Å; A241-S244 PolarHBondContact O-N 3.22Å; A241-S244 VanDerWaalsContact O-N 3.15Å; I242-S244 PolarHBondContact O-N 2.85Å; S244-S247 WeakPolarHBondContact O-CB 3.29Å; S244-S247 PolarHBondContact O-N 3.21Å; S244-S247 VanDerWaalsContact O-N 3.12Å; S244-Y890 WeakPolarHBondContact OG-CE2 3.42Å; S244-Y890 PolarHBondContact OG-OH 2.94Å; S244-I894 WeakPolarHBondContact OG-CD1 3.37Å |
| 245 | A | 85.2 | Confident | 83.8 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A241 I242 S247 | A241-A245 PolarHBondContact O-N 3.28Å; I242-A245 PolarHBondContact O-N 2.95Å; A245-S247 VanDerWaalsContact C-N 3.25Å; A245-S247 PolarHBondContact O-N 2.87Å |
| 246 | F | 85.6 | Confident | 83.1 | Confident | 161 Ų | 161 | 64.9 Ų | 64.9 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.5 | 174.1 | -70.3 | -62.7 | 0 | 0 | 0 | 114.2 | I242 T248 | I242-F246 HydrophobicContact CG2-CD2 3.75Å; I242-F246 HydrophobicContact CG2-CE2 3.73Å; I242-F246 WeakPolarHBondContact O-CD2 3.32Å; I242-F246 PolarHBondContact O-N 3.47Å; F246-T248 PolarHBondContact O-N 2.86Å; F246-T248 VanDerWaalsContact O-N 3.1Å |
| 247 | S | 83.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -80.1 | 98.4 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | C243 S244 A245 I249 L250 R251 | C243-S247 WeakPolarHBondContact O-CB 3.3Å; C243-S247 PolarHBondContact O-N 3.46Å; C243-S247 VanDerWaalsContact O-N 3.15Å; S244-S247 WeakPolarHBondContact O-CB 3.29Å; S244-S247 PolarHBondContact O-N 3.21Å; S244-S247 VanDerWaalsContact O-N 3.12Å; A245-S247 VanDerWaalsContact C-N 3.25Å; A245-S247 PolarHBondContact O-N 2.87Å; S247-I249 PolarHBondContact O-N 3.12Å; S247-L250 PolarHBondContact O-N 3.19Å; S247-L250 WeakPolarHBondContact OG-CD1 3.45Å; S247-R251 PolarHBondContact O-N 2.93Å | ||
| 248 | T | 76.2 | Confident | 82.1 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -48.8 | -26.8 | 171.4 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | F246 K252 | F246-T248 PolarHBondContact O-N 2.86Å; F246-T248 VanDerWaalsContact O-N 3.1Å; T248-K252 WeakPolarHBondContact O-CB 3.47Å; T248-K252 WeakPolarHBondContact O-CG 3.17Å; T248-K252 PolarHBondContact O-N 3.11Å |
| 249 | I | 73.3 | Confident | 81.8 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 35% | 0.354 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -75.7 | -49.9 | 177 | -56.5 | 173.2 | 0 | 0 | 0 | 110.5 | S247 R251 K252 G253 P897 R898 | S247-I249 PolarHBondContact O-N 3.12Å; I249-R251 VanDerWaalsContact C-N 3.32Å; I249-R251 PolarHBondContact O-N 2.67Å; I249-K252 PolarHBondContact O-N 3.31Å; I249-G253 PolarHBondContact O-N 2.85Å; I249-P897 HydrophobicContact CD1-CB 3.86Å; I249-P897 WeakPolarHBondContact CD1-O 3.46Å; I249-P897 HydrophobicContact CG2-CB 4Å; I249-R898 HydrophobicContact CD1-CG 4.46Å |
| 250 | L | 76.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 177.9 | -83.9 | 68 | 0 | 0 | 0 | 111.2 | S247 K252 G253 Q254 M255 | S247-L250 PolarHBondContact O-N 3.19Å; S247-L250 WeakPolarHBondContact OG-CD1 3.45Å; L250-K252 PolarHBondContact O-N 3.48Å; L250-G253 PolarHBondContact O-N 3.45Å; L250-Q254 PolarHBondContact O-N 2.99Å; L250-Q254 VanDerWaalsContact O-N 3.16Å; L250-M255 HydrophobicContact CB-CB 4.43Å; L250-M255 HydrophobicContact CG-CB 4.24Å; L250-M255 PolarHBondContact O-N 3.07Å; L250-M255 VanDerWaalsContact O-N 3.11Å |
| 251 | R | 74.1 | Confident | 81.5 | Confident | 157 Ų | 157 | 53.2 Ų | 53.2 | 59% | 0.592 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 175.1 | -168.7 | 169.6 | 81.5 | -168.7 | 9 | 112.4 | S247 I249 G253 W256 | S247-R251 PolarHBondContact O-N 2.93Å; I249-R251 VanDerWaalsContact C-N 3.32Å; I249-R251 PolarHBondContact O-N 2.67Å; R251-G253 VanDerWaalsContact C-N 3.26Å; R251-G253 PolarHBondContact O-N 3.12Å; R251-W256 HydrophobicContact CB-CZ2 4.3Å; R251-W256 HydrophobicContact CG-CZ2 4.02Å |
| 252 | K | 67.6 | Low | 81.3 | Confident | 193 Ų | 193 | 52.5 Ų | 52.5 | 84% | 0.839 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -70.1 | -16.2 | 177 | -81 | -172.6 | 175 | -166.9 | 0 | 114.5 | T248 I249 L250 | T248-K252 WeakPolarHBondContact O-CB 3.47Å; T248-K252 WeakPolarHBondContact O-CG 3.17Å; T248-K252 PolarHBondContact O-N 3.11Å; I249-K252 PolarHBondContact O-N 3.31Å; L250-K252 PolarHBondContact O-N 3.48Å |
| 253 | G | 65.8 | Low | 81.3 | Confident | 19 Ų | 19 | 49 Ų | 49 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 7.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | H182 I249 L250 R251 M255 | H182-G253 PolarHBondContact CD2-O 3.24Å; H182-G253 VanDerWaalsContact CD2-O 3.26Å; I249-G253 PolarHBondContact O-N 2.85Å; L250-G253 PolarHBondContact O-N 3.45Å; R251-G253 VanDerWaalsContact C-N 3.26Å; R251-G253 PolarHBondContact O-N 3.12Å; G253-M255 WeakPolarHBondContact O-CG 3.44Å; G253-M255 PolarHBondContact O-N 2.71Å |
| 254 | Q | 69.1 | Low | 81.3 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 43.6 | -172 | -65 | -175.8 | -23.9 | 0 | 0 | 112.6 | N178 L250 W256 | N178-Q254 PolarHBondContact ND2-O 3.1Å; N178-Q254 PolarHBondContact OD1-O 3.32Å; L250-Q254 PolarHBondContact O-N 2.99Å; L250-Q254 VanDerWaalsContact O-N 3.16Å; Q254-W256 PolarHBondContact O-N 3.45Å |
| 255 | M | 74.8 | Confident | 81.3 | Confident | 62 Ų | 62 | 49 Ų | 49 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | trans | -97.8 | 38.7 | -171 | -57 | -169.7 | 74.5 | 0 | 0 | 113.5 | Y175 L250 G253 | Y175-M255 HydrophobicContact CD1-CE 3.82Å; Y175-M255 HydrophobicContact CE1-CE 3.82Å; L250-M255 HydrophobicContact CB-CB 4.43Å; L250-M255 HydrophobicContact CG-CB 4.24Å; L250-M255 PolarHBondContact O-N 3.07Å; L250-M255 VanDerWaalsContact O-N 3.11Å; G253-M255 WeakPolarHBondContact O-CG 3.44Å; G253-M255 PolarHBondContact O-N 2.71Å | ||
| 256 | W | 81 | Confident | 81.6 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | trans | -90 | -35.4 | -174.8 | -62 | -12.5 | 0 | 0 | 0 | 113.8 | Y196 T199 R251 Q254 P258 G259 A260 | Y196-W256 HydrophobicContact CD1-CE3 4.3Å; Y196-W256 HydrophobicContact CD1-CZ3 4.27Å; Y196-W256 AromaticContact CE1-CE3 3.9Å; Y196-W256 HydrophobicContact CE1-CE3 3.9Å; Y196-W256 AromaticContact CE1-CZ3 3.68Å; Y196-W256 HydrophobicContact CE1-CZ3 3.68Å; T199-W256 HydrophobicContact CG2-CB 3.76Å; R251-W256 HydrophobicContact CB-CZ2 4.3Å; R251-W256 HydrophobicContact CG-CZ2 4.02Å; Q254-W256 PolarHBondContact O-N 3.45Å; W256-P258 VanDerWaalsContact C-CD 3.48Å; W256-G259 PolarHBondContact O-N 2.91Å; W256-A260 PolarHBondContact O-N 3.15Å; W256-A260 VanDerWaalsContact O-N 3.09Å | ||
| 257 | L | 84.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.5 | -40.8 | -179.8 | 179.9 | 63.4 | 0 | 0 | 0 | 114.1 | I177 N178 W181 V198 T199 L202 G259 A260 I261 | I177-L257 HydrophobicContact CG2-CD2 4.05Å; N178-L257 HydrophobicContact CB-CB 4.43Å; N178-L257 HydrophobicContact CB-CD2 4.35Å; N178-L257 WeakPolarHBondContact OD1-CB 3.18Å; W181-L257 HydrophobicContact CE3-CD2 4.21Å; W181-L257 HydrophobicContact CZ3-CD2 4.34Å; V198-L257 HydrophobicContact CB-CD1 4.15Å; V198-L257 HydrophobicContact CG1-CD1 3.64Å; T199-L257 WeakPolarHBondContact OG1-CA 3.26Å; T199-L257 PolarHBondContact OG1-N 3.17Å; L202-L257 HydrophobicContact CD1-CD1 4.06Å; L257-G259 VanDerWaalsContact C-N 3.3Å; L257-G259 PolarHBondContact O-N 3.31Å; L257-A260 PolarHBondContact O-N 2.92Å; L257-I261 HydrophobicContact CD1-CD1 3.92Å; L257-I261 HydrophobicContact CD1-CG1 4.12Å; L257-I261 HydrophobicContact CG-CD1 3.81Å; L257-I261 HydrophobicContact CG-CG1 4.43Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.24Å |
| 258 | P | 84.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -32 | 176.8 | -21.5 | 35.2 | 0 | 0 | 0 | 113.3 | A174 Y175 N178 W256 T262 | A174-P258 HydrophobicContact CB-CB 4.21Å; Y175-P258 HydrophobicContact CD1-CB 3.78Å; Y175-P258 HydrophobicContact CD1-CG 3.51Å; Y175-P258 HydrophobicContact CD2-CB 4.26Å; Y175-P258 HydrophobicContact CE1-CB 3.52Å; Y175-P258 HydrophobicContact CE1-CG 3.58Å; Y175-P258 HydrophobicContact CE2-CB 4.04Å; Y175-P258 HydrophobicContact CG-CB 4.12Å; Y175-P258 HydrophobicContact CG-CG 4.09Å; N178-P258 HydrophobicContact CB-CG 3.95Å; W256-P258 VanDerWaalsContact C-CD 3.48Å; P258-T262 WeakPolarHBondContact O-CB 3.35Å; P258-T262 PolarHBondContact O-N 2.87Å; P258-T262 VanDerWaalsContact O-N 3.07Å; P258-T262 PolarHBondContact O-OG1 3.25Å |
| 259 | G | 88.3 | Confident | 82.6 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.9 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W256 L257 I261 T262 S263 | W256-G259 PolarHBondContact O-N 2.91Å; L257-G259 VanDerWaalsContact C-N 3.3Å; L257-G259 PolarHBondContact O-N 3.31Å; G259-I261 PolarHBondContact O-N 2.82Å; G259-T262 PolarHBondContact O-N 2.95Å; G259-T262 VanDerWaalsContact O-N 3.11Å; G259-S263 PolarHBondContact O-N 3.11Å |
| 260 | A | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T199 L202 Y203 W256 L257 T262 S263 A264 | T199-A260 HydrophobicContact CG2-CB 4Å; L202-A260 HydrophobicContact CB-CB 3.88Å; L202-A260 HydrophobicContact CD1-CB 4.26Å; Y203-A260 HydrophobicContact CD1-CB 4.43Å; Y203-A260 HydrophobicContact CD2-CB 3.86Å; Y203-A260 HydrophobicContact CE1-CB 4.17Å; Y203-A260 HydrophobicContact CE2-CB 3.58Å; Y203-A260 HydrophobicContact CG-CB 4.27Å; Y203-A260 PolarHBondContact OH-N 2.78Å; W256-A260 PolarHBondContact O-N 3.15Å; W256-A260 VanDerWaalsContact O-N 3.09Å; L257-A260 PolarHBondContact O-N 2.92Å; A260-T262 VanDerWaalsContact C-N 3.3Å; A260-T262 PolarHBondContact O-N 3.13Å; A260-S263 PolarHBondContact O-N 2.7Å; A260-A264 WeakPolarHBondContact O-CB 3.4Å; A260-A264 PolarHBondContact O-N 2.7Å |
| 261 | I | 87.7 | Confident | 84.1 | Confident | 38 Ų | 38 | 42 Ų | 42 | 20% | 0.195 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 173 | -69.2 | 167.8 | 0 | 0 | 0 | 110.6 | A174 L202 L257 G259 F265 | A174-I261 HydrophobicContact CB-CB 4.17Å; A174-I261 HydrophobicContact CB-CD1 3.73Å; A174-I261 HydrophobicContact CB-CG2 3.97Å; L202-I261 HydrophobicContact CD1-CB 4.44Å; L202-I261 HydrophobicContact CD1-CG1 3.49Å; L202-I261 VanDerWaalsContact CD1-CG1 3.49Å; L257-I261 HydrophobicContact CD1-CD1 3.92Å; L257-I261 HydrophobicContact CD1-CG1 4.12Å; L257-I261 HydrophobicContact CG-CD1 3.81Å; L257-I261 HydrophobicContact CG-CG1 4.43Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.24Å; G259-I261 PolarHBondContact O-N 2.82Å; I261-F265 VanDerWaalsContact O-CB 3.24Å; I261-F265 WeakPolarHBondContact O-CB 3.5Å; I261-F265 PolarHBondContact O-N 3.47Å |
| 262 | T | 87.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | 178.4 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | P258 G259 A260 F265 V266 A886 Y890 | P258-T262 WeakPolarHBondContact O-CB 3.35Å; P258-T262 PolarHBondContact O-N 2.87Å; P258-T262 VanDerWaalsContact O-N 3.07Å; P258-T262 PolarHBondContact O-OG1 3.25Å; G259-T262 PolarHBondContact O-N 2.95Å; G259-T262 VanDerWaalsContact O-N 3.11Å; A260-T262 VanDerWaalsContact C-N 3.3Å; A260-T262 PolarHBondContact O-N 3.13Å; T262-F265 PolarHBondContact O-N 3.47Å; T262-V266 HydrophobicContact CG2-CG2 4.47Å; T262-V266 VanDerWaalsContact O-CG2 3.32Å; T262-V266 WeakPolarHBondContact O-CG2 3.37Å; T262-V266 PolarHBondContact O-N 3.02Å; T262-A886 HydrophobicContact CG2-CB 4.32Å; T262-Y890 HydrophobicContact CG2-CD1 4.31Å; T262-Y890 HydrophobicContact CG2-CG 4.34Å |
| 263 | S | 92.3 | Very high | 85.3 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.7 | -73.4 | 0 | 0 | 0 | 0 | 113.1 | G259 A260 F265 V266 A267 | G259-S263 PolarHBondContact O-N 3.11Å; A260-S263 PolarHBondContact O-N 2.7Å; S263-F265 VanDerWaalsContact C-N 3.28Å; S263-F265 PolarHBondContact O-N 3.35Å; S263-V266 PolarHBondContact O-N 3.22Å; S263-A267 PolarHBondContact O-N 2.76Å |
| 264 | A | 90.4 | Very high | 86.3 | Confident | 18 Ų | 18 | 25.7 Ų | 25.7 | 15% | 0.149 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.6 | -36.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L202 A260 A267 F268 | L202-A264 HydrophobicContact CB-CB 4.36Å; L202-A264 HydrophobicContact CD2-CB 3.9Å; A260-A264 WeakPolarHBondContact O-CB 3.4Å; A260-A264 PolarHBondContact O-N 2.7Å; A264-A267 PolarHBondContact O-N 3.02Å; A264-F268 PolarHBondContact O-N 3.46Å |
| 265 | F | 86.8 | Confident | 87 | Confident | 36 Ų | 36 | 25 Ų | 25 | 16% | 0.158 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.9 | -38.5 | 176.2 | -177.7 | -122 | 0 | 0 | 0 | 113.3 | H167 L170 I261 T262 S263 A267 F268 L269 | H167-F265 AromaticContact CD2-CE1 3.43Å; H167-F265 VanDerWaalsContact CD2-CE1 3.43Å; H167-F265 WeakPolarHBondContact CD2-CE1 3.31Å; H167-F265 AromaticContact CD2-CZ 3.88Å; H167-F265 AromaticContact CE1-CZ 3.77Å; H167-F265 AromaticContact NE2-CE1 3.47Å; H167-F265 WeakPolarHBondContact NE2-CE1 3.47Å; H167-F265 AromaticContact NE2-CZ 3.44Å; H167-F265 WeakPolarHBondContact NE2-CZ 3.14Å; L170-F265 HydrophobicContact CD2-CB 4.34Å; L170-F265 HydrophobicContact CD2-CD1 3.62Å; L170-F265 HydrophobicContact CD2-CD2 3.63Å; L170-F265 HydrophobicContact CD2-CE1 3.66Å; L170-F265 HydrophobicContact CD2-CE2 3.7Å; L170-F265 HydrophobicContact CD2-CG 3.6Å; L170-F265 HydrophobicContact CD2-CZ 3.71Å; I261-F265 VanDerWaalsContact O-CB 3.24Å; I261-F265 WeakPolarHBondContact O-CB 3.5Å; I261-F265 PolarHBondContact O-N 3.47Å; T262-F265 PolarHBondContact O-N 3.47Å; S263-F265 VanDerWaalsContact C-N 3.28Å; S263-F265 PolarHBondContact O-N 3.35Å; F265-A267 VanDerWaalsContact C-N 3.32Å; F265-A267 PolarHBondContact O-N 3.04Å; F265-F268 HydrophobicContact CD2-CD1 4.08Å; F265-F268 HydrophobicContact CE2-CD1 4.13Å; F265-F268 PolarHBondContact O-N 2.68Å; F265-L269 HydrophobicContact CD1-CD1 4.03Å; F265-L269 HydrophobicContact CD2-CG 4.5Å; F265-L269 HydrophobicContact CE1-CD1 3.71Å; F265-L269 HydrophobicContact CE1-CG 4.4Å; F265-L269 HydrophobicContact CE2-CD1 4.38Å; F265-L269 HydrophobicContact CE2-CD2 4.33Å; F265-L269 HydrophobicContact CE2-CG 4.2Å; F265-L269 HydrophobicContact CZ-CD1 3.9Å; F265-L269 HydrophobicContact CZ-CD2 4.22Å; F265-L269 HydrophobicContact CZ-CG 4.15Å; F265-L269 WeakPolarHBondContact O-CG 3.44Å; F265-L269 PolarHBondContact O-N 3.25Å |
| 266 | V | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 171.9 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | Y210 N233 T237 T262 S263 L269 T270 A886 L887 | Y210-V266 WeakPolarHBondContact OH-CG1 3.48Å; N233-V266 HydrophobicContact CB-CG1 4.26Å; T237-V266 HydrophobicContact CG2-CB 3.83Å; T237-V266 HydrophobicContact CG2-CG1 3.77Å; T237-V266 HydrophobicContact CG2-CG2 4.4Å; T262-V266 HydrophobicContact CG2-CG2 4.47Å; T262-V266 VanDerWaalsContact O-CG2 3.32Å; T262-V266 WeakPolarHBondContact O-CG2 3.37Å; T262-V266 PolarHBondContact O-N 3.02Å; S263-V266 PolarHBondContact O-N 3.22Å; V266-L269 PolarHBondContact O-N 3.25Å; V266-T270 WeakPolarHBondContact O-CB 2.98Å; V266-T270 PolarHBondContact O-N 2.85Å; V266-T270 PolarHBondContact O-OG1 2.83Å; V266-A886 HydrophobicContact CG2-CB 3.78Å; V266-L887 HydrophobicContact CG1-CD1 3.93Å; V266-L887 HydrophobicContact CG1-CD2 4.23Å; V266-L887 HydrophobicContact CG1-CG 3.9Å; V266-L887 HydrophobicContact CG2-CD2 4.31Å; V266-L887 HydrophobicContact CG2-CG 4.04Å |
| 267 | A | 91.7 | Very high | 87.1 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A206 A209 Y210 F213 S263 A264 F265 L269 T270 W271 | A206-A267 HydrophobicContact CB-CB 4.4Å; A209-A267 HydrophobicContact CB-CB 4.27Å; Y210-A267 HydrophobicContact CD2-CB 4.44Å; Y210-A267 HydrophobicContact CE2-CB 3.86Å; Y210-A267 PolarHBondContact OH-N 3.27Å; F213-A267 HydrophobicContact CE2-CB 4.36Å; F213-A267 WeakPolarHBondContact CE2-O 3.27Å; F213-A267 WeakPolarHBondContact CZ-O 3.36Å; S263-A267 PolarHBondContact O-N 2.76Å; A264-A267 PolarHBondContact O-N 3.02Å; F265-A267 VanDerWaalsContact C-N 3.32Å; F265-A267 PolarHBondContact O-N 3.04Å; A267-L269 PolarHBondContact O-N 3.38Å; A267-T270 WeakPolarHBondContact O-CB 3.27Å; A267-T270 PolarHBondContact O-N 3.34Å; A267-T270 VanDerWaalsContact O-N 3.16Å; A267-W271 PolarHBondContact O-N 3.03Å |
| 268 | F | 89.2 | Confident | 86.5 | Confident | 78 Ų | 78 | 19.3 Ų | 19.3 | 34% | 0.342 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 173.9 | 167.8 | -99 | 0 | 0 | 0 | 113 | A264 F265 T270 W271 S272 V379 | A264-F268 PolarHBondContact O-N 3.46Å; F265-F268 HydrophobicContact CD2-CD1 4.08Å; F265-F268 HydrophobicContact CE2-CD1 4.13Å; F265-F268 PolarHBondContact O-N 2.68Å; F268-T270 VanDerWaalsContact C-N 3.31Å; F268-T270 PolarHBondContact O-N 3.19Å; F268-W271 PolarHBondContact O-N 3.43Å; F268-S272 WeakPolarHBondContact CZ-OG 3.48Å; F268-S272 WeakPolarHBondContact O-CB 3.28Å; F268-S272 PolarHBondContact O-N 2.89Å; F268-S272 PolarHBondContact O-OG 3.47Å; F268-V379 HydrophobicContact CZ-CG1 4.26Å; F268-V379 HydrophobicContact CZ-CG2 4.28Å |
| 269 | L | 86.6 | Confident | 85.8 | Confident | 11 Ų | 11 | 24.4 Ų | 24.4 | 6% | 0.058 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 175.3 | -70.9 | 170.1 | 0 | 0 | 0 | 111.9 | H167 F265 V266 A267 S272 A273 | H167-L269 WeakPolarHBondContact NE2-CD1 3.28Å; F265-L269 HydrophobicContact CD1-CD1 4.03Å; F265-L269 HydrophobicContact CD2-CG 4.5Å; F265-L269 HydrophobicContact CE1-CD1 3.71Å; F265-L269 HydrophobicContact CE1-CG 4.4Å; F265-L269 HydrophobicContact CE2-CD1 4.38Å; F265-L269 HydrophobicContact CE2-CD2 4.33Å; F265-L269 HydrophobicContact CE2-CG 4.2Å; F265-L269 HydrophobicContact CZ-CD1 3.9Å; F265-L269 HydrophobicContact CZ-CD2 4.22Å; F265-L269 HydrophobicContact CZ-CG 4.15Å; F265-L269 WeakPolarHBondContact O-CG 3.44Å; F265-L269 PolarHBondContact O-N 3.25Å; V266-L269 PolarHBondContact O-N 3.25Å; A267-L269 PolarHBondContact O-N 3.38Å; L269-S272 PolarHBondContact O-N 3.28Å; L269-A273 VanDerWaalsContact O-CB 3.3Å; L269-A273 WeakPolarHBondContact O-CB 3.38Å; L269-A273 PolarHBondContact O-N 2.82Å |
| 270 | T | 91.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.2 | -48.6 | 176.5 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | Y210 F213 V229 N233 V266 A267 F268 S272 A273 L274 | Y210-T270 HydrophobicContact CE1-CG2 4.3Å; F213-T270 HydrophobicContact CD2-CG2 4.1Å; F213-T270 HydrophobicContact CE2-CG2 4.32Å; V229-T270 HydrophobicContact CG1-CG2 4.36Å; N233-T270 HydrophobicContact CB-CG2 4.44Å; N233-T270 PolarHBondContact ND2-OG1 3.39Å; V266-T270 WeakPolarHBondContact O-CB 2.98Å; V266-T270 PolarHBondContact O-N 2.85Å; V266-T270 PolarHBondContact O-OG1 2.83Å; A267-T270 WeakPolarHBondContact O-CB 3.27Å; A267-T270 PolarHBondContact O-N 3.34Å; A267-T270 VanDerWaalsContact O-N 3.16Å; F268-T270 VanDerWaalsContact C-N 3.31Å; F268-T270 PolarHBondContact O-N 3.19Å; T270-S272 VanDerWaalsContact C-N 3.34Å; T270-S272 PolarHBondContact O-N 2.87Å; T270-A273 WeakPolarHBondContact O-CB 3.26Å; T270-A273 PolarHBondContact O-N 3.27Å; T270-L274 HydrophobicContact CG2-CD1 4.28Å; T270-L274 WeakPolarHBondContact O-CG 3.21Å; T270-L274 PolarHBondContact O-N 3.43Å |
| 271 | W | 89.7 | Confident | 83.3 | Confident | 137 Ų | 137 | 29.8 Ų | 29.8 | 52% | 0.519 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -55.5 | -50.2 | 171.8 | -173.7 | 18.5 | 0 | 0 | 0 | 111.7 | F213 Y217 A267 F268 A273 L274 G275 | F213-W271 HydrophobicContact CD1-CB 4.4Å; F213-W271 HydrophobicContact CE1-CB 3.5Å; F213-W271 HydrophobicContact CE1-CD2 4.44Å; F213-W271 AromaticContact CE1-CG 3.72Å; F213-W271 HydrophobicContact CE1-CG 3.72Å; F213-W271 HydrophobicContact CE2-CB 4.37Å; F213-W271 HydrophobicContact CZ-CB 3.5Å; F213-W271 VanDerWaalsContact CZ-CB 3.5Å; F213-W271 HydrophobicContact CZ-CG 4.2Å; Y217-W271 PolarHBondContact OH-NE1 3.31Å; A267-W271 PolarHBondContact O-N 3.03Å; F268-W271 PolarHBondContact O-N 3.43Å; W271-A273 PolarHBondContact O-N 3.35Å; W271-L274 PolarHBondContact O-N 2.75Å; W271-G275 PolarHBondContact O-N 3.2Å |
| 272 | S | 83.1 | Confident | 81.7 | Confident | 24 Ų | 24 | 30.2 Ų | 30.2 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -29.1 | -178.4 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | F268 L269 T270 S276 K879 | F268-S272 WeakPolarHBondContact CZ-OG 3.48Å; F268-S272 WeakPolarHBondContact O-CB 3.28Å; F268-S272 PolarHBondContact O-N 2.89Å; F268-S272 PolarHBondContact O-OG 3.47Å; L269-S272 PolarHBondContact O-N 3.28Å; T270-S272 VanDerWaalsContact C-N 3.34Å; T270-S272 PolarHBondContact O-N 2.87Å; S272-S276 PolarHBondContact O-N 3.07Å; S272-S276 PolarHBondContact O-OG 3.4Å; S272-K879 VanDerWaalsContact O-CD 3.24Å; S272-K879 WeakPolarHBondContact O-CD 3.16Å; S272-K879 PolarHBondContact O-NZ 3.39Å |
| 273 | A | 84.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -75.5 | -51 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L269 T270 W271 G275 S276 M876 K879 | L269-A273 VanDerWaalsContact O-CB 3.3Å; L269-A273 WeakPolarHBondContact O-CB 3.38Å; L269-A273 PolarHBondContact O-N 2.82Å; T270-A273 WeakPolarHBondContact O-CB 3.26Å; T270-A273 PolarHBondContact O-N 3.27Å; W271-A273 PolarHBondContact O-N 3.35Å; A273-G275 VanDerWaalsContact C-N 3.29Å; A273-G275 PolarHBondContact O-N 2.83Å; A273-S276 WeakPolarHBondContact O-CA 3.24Å; A273-S276 VanDerWaalsContact O-CB 3.31Å; A273-S276 WeakPolarHBondContact O-CB 3.29Å; A273-S276 PolarHBondContact O-N 3.42Å; A273-M876 HydrophobicContact CB-CG 3.89Å; A273-M876 VanDerWaalsContact O-CG 3.29Å; A273-M876 WeakPolarHBondContact O-CG 3.29Å; A273-K879 HydrophobicContact CB-CB 3.87Å |
| 274 | L | 85.8 | Confident | 77.6 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.2 | -44.6 | 177.4 | -66.4 | 168.2 | 0 | 0 | 0 | 111.5 | F213 Y217 N226 T270 W271 S276 Q277 L356 | F213-L274 HydrophobicContact CB-CD1 3.91Å; F213-L274 HydrophobicContact CD2-CD1 4.44Å; F213-L274 HydrophobicContact CG-CD1 4.04Å; Y217-L274 HydrophobicContact CD1-CB 3.9Å; Y217-L274 HydrophobicContact CD2-CD1 4.37Å; Y217-L274 HydrophobicContact CE1-CB 4.1Å; Y217-L274 HydrophobicContact CG-CB 4.23Å; Y217-L274 HydrophobicContact CG-CD1 4.22Å; N226-L274 HydrophobicContact CB-CD2 3.7Å; N226-L274 WeakPolarHBondContact OD1-CD2 3.48Å; T270-L274 HydrophobicContact CG2-CD1 4.28Å; T270-L274 WeakPolarHBondContact O-CG 3.21Å; T270-L274 PolarHBondContact O-N 3.43Å; W271-L274 PolarHBondContact O-N 2.75Å; L274-S276 PolarHBondContact O-N 2.82Å; L274-Q277 WeakPolarHBondContact O-CG 3.44Å; L274-Q277 PolarHBondContact O-N 3Å; L274-L356 WeakPolarHBondContact O-CD2 3.26Å |
| 275 | G | 83 | Confident | 75.7 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 32% | 0.32 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 3.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | W271 A273 | W271-G275 PolarHBondContact O-N 3.2Å; A273-G275 VanDerWaalsContact C-N 3.29Å; A273-G275 PolarHBondContact O-N 2.83Å |
| 276 | S | 79.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 0.2 | 173 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | S272 A273 L274 S870 E871 S872 N875 K879 | S272-S276 PolarHBondContact O-N 3.07Å; S272-S276 PolarHBondContact O-OG 3.4Å; A273-S276 WeakPolarHBondContact O-CA 3.24Å; A273-S276 VanDerWaalsContact O-CB 3.31Å; A273-S276 WeakPolarHBondContact O-CB 3.29Å; A273-S276 PolarHBondContact O-N 3.42Å; L274-S276 PolarHBondContact O-N 2.82Å; S276-S870 VanDerWaalsContact CA-O 3.32Å; S276-S870 WeakPolarHBondContact CA-O 3.42Å; S276-S870 VanDerWaalsContact CB-O 3.24Å; S276-S870 WeakPolarHBondContact CB-O 3.35Å; S276-S870 PolarHBondContact OG-O 3.15Å; S276-E871 CarbonylContact O-C 3.33Å; S276-E871 WeakPolarHBondContact O-CA 3.38Å; S276-S872 CarbonylContact O-C 3.57Å; S276-S872 VanDerWaalsContact O-C 3.26Å; S276-S872 WeakPolarHBondContact O-CA 3.42Å; S276-S872 PolarHBondContact O-N 2.81Å; S276-N875 PolarHBondContact OG-ND2 2.96Å; S276-K879 PolarHBondContact OG-NZ 3.19Å |
| 277 | Q | 78.9 | Confident | 71.7 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -66.9 | 140.1 | 177.9 | -61 | -176.3 | -10 | 0 | 0 | 109.8 | N226 L274 R279 N353 L356 W873 M876 | N226-Q277 PolarHBondContact OD1-NE2 2.98Å; L274-Q277 WeakPolarHBondContact O-CG 3.44Å; L274-Q277 PolarHBondContact O-N 3Å; Q277-R279 PolarHBondContact O-N 3.45Å; Q277-N353 VanDerWaalsContact CB-ND2 3.33Å; Q277-N353 WeakPolarHBondContact CB-ND2 3.44Å; Q277-N353 PolarHBondContact OE1-ND2 3.07Å; Q277-L356 HydrophobicContact CB-CD1 4.36Å; Q277-L356 HydrophobicContact CB-CD2 4.34Å; Q277-L356 HydrophobicContact CB-CG 4.48Å; Q277-W873 HydrophobicContact CB-CH2 3.89Å; Q277-W873 HydrophobicContact CB-CZ2 4.41Å; Q277-W873 HydrophobicContact CB-CZ3 4.14Å; Q277-W873 HydrophobicContact CG-CE3 4.32Å; Q277-W873 HydrophobicContact CG-CH2 3.66Å; Q277-W873 HydrophobicContact CG-CZ3 3.52Å; Q277-M876 HydrophobicContact CG-SD 3.7Å; Q277-M876 PolarHBondContact NE2-SD 3.22Å; Q277-M876 VanDerWaalsContact NE2-SD 3.42Å |
| 278 | P | 72.4 | Confident | 69.5 | Low | 15 Ų | 15 | 45.7 Ų | 45.7 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | trans | -65.2 | 132.4 | 173.1 | 28 | -33.2 | 0 | 0 | 0 | 109.8 | I280 L281 N353 W873 | P278-I280 VanDerWaalsContact C-N 3.26Å; P278-I280 PolarHBondContact O-N 2.93Å; P278-L281 HydrophobicContact CB-CD1 4.11Å; P278-L281 HydrophobicContact CG-CD1 3.52Å; P278-N353 VanDerWaalsContact O-CB 3.28Å; P278-N353 WeakPolarHBondContact O-CB 3.43Å; P278-N353 PolarHBondContact O-ND2 3.48Å; P278-W873 HydrophobicContact CG-CD2 4.3Å; P278-W873 HydrophobicContact CG-CG 4.26Å; P278-W873 HydrophobicContact CG-CZ2 4.1Å; P278-W873 VanDerWaalsContact CG-NE1 3.3Å | ||
| 279 | R | 69.6 | Low | 67.4 | Low | 107 Ų | 107 | 47.6 Ų | 47.6 | 40% | 0.404 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -64.7 | -33 | 171.2 | -69 | 173.8 | -155.7 | -107 | -9.8 | 112.7 | Q277 I352 N353 L356 E871 | Q277-R279 PolarHBondContact O-N 3.45Å; R279-I352 WeakPolarHBondContact O-CA 3.26Å; R279-N353 PolarHBondContact O-N 3.44Å; R279-L356 HydrophobicContact CB-CD1 4.41Å; R279-L356 HydrophobicContact CG-CD1 3.67Å; R279-E871 WeakPolarHBondContact CG-OE2 3.29Å; R279-E871 IonicContact CZ-OE1 3.18Å; R279-E871 VanDerWaalsContact CZ-OE1 3.28Å; R279-E871 IonicContact NE-OE1 2.91Å; R279-E871 PolarHBondContact NE-OE1 2.89Å; R279-E871 IonicContact NE-OE2 3.28Å; R279-E871 PolarHBondContact NE-OE2 3.07Å; R279-E871 IonicContact NH2-OE1 2.69Å; R279-E871 PolarHBondContact NH2-OE1 2.95Å |
| 280 | I | 65.7 | Low | 65.7 | Low | 100 Ų | 100 | 53.4 Ų | 53.4 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.2 | -171.7 | -61.5 | 172.1 | 0 | 0 | 0 | 109.8 | P278 V350 L351 | P278-I280 VanDerWaalsContact C-N 3.26Å; P278-I280 PolarHBondContact O-N 2.93Å; I280-V350 HydrophobicContact CG2-CG1 3.72Å; I280-L351 CarbonylContact C-O 3.57Å; I280-L351 WeakPolarHBondContact CA-O 3.24Å |
| 281 | L | 62.4 | Low | 63.5 | Low | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.7 | 159 | -96.6 | 65.4 | 0 | 0 | 0 | 108.5 | P278 F285 F324 L351 | P278-L281 HydrophobicContact CB-CD1 4.11Å; P278-L281 HydrophobicContact CG-CD1 3.52Å; L281-F285 HydrophobicContact CB-CE2 4.08Å; L281-F285 HydrophobicContact CD2-CE2 4.5Å; L281-F285 HydrophobicContact CG-CE2 3.77Å; L281-F285 HydrophobicContact CG-CZ 4.4Å; L281-F324 HydrophobicContact CD1-CE1 3.82Å; L281-F324 HydrophobicContact CD1-CZ 3.72Å; L281-F324 HydrophobicContact CD2-CD2 4.46Å; L281-F324 HydrophobicContact CD2-CE1 4.24Å; L281-F324 HydrophobicContact CD2-CE2 3.66Å; L281-F324 HydrophobicContact CD2-CZ 3.54Å; L281-F324 HydrophobicContact CG-CE1 4.46Å; L281-F324 HydrophobicContact CG-CZ 4.17Å; L281-L351 HydrophobicContact CB-CB 4.02Å; L281-L351 PolarHBondContact N-O 3.17Å; L281-L351 WeakPolarHBondContact O-CB 3.43Å; L281-L351 PolarHBondContact O-N 2.8Å |
| 282 | S | 54.1 | Low | 61.7 | Low | 46 Ų | 46 | 53.1 Ų | 53.1 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.9 | 165.1 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | N284 F285 | S282-N284 PolarHBondContact O-N 2.77Å; S282-F285 WeakPolarHBondContact O-CD2 3.46Å; S282-F285 WeakPolarHBondContact O-CE2 3.43Å |
| 283 | S | 46.9 | Very low | 60 | Low | 35 Ų | 35 | 58.4 Ų | 58.4 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -6.3 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 115.5 | F285 I349 | S283-F285 PolarHBondContact O-N 2.76Å; S283-I349 WeakPolarHBondContact CB-O 3.44Å; S283-I349 PolarHBondContact N-O 2.96Å; S283-I349 VanDerWaalsContact N-O 3.15Å; S283-I349 PolarHBondContact OG-N 2.72Å; S283-I349 PolarHBondContact OG-O 3.03Å; S283-I349 VanDerWaalsContact OG-O 3.1Å |
| 284 | N | 46.1 | Very low | 58.3 | Low | 77 Ų | 77 | 64.8 Ų | 64.8 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 8.3 | -177.8 | -83.3 | -46.6 | 0 | 0 | 0 | 116.2 | S282 P286 K289 | S282-N284 PolarHBondContact O-N 2.77Å; N284-P286 WeakPolarHBondContact O-CD 3.3Å; N284-K289 WeakPolarHBondContact OD1-CE 3.3Å; N284-K289 PolarHBondContact OD1-NZ 3.01Å |
| 285 | F | 51.9 | Low | 56.5 | Low | 26 Ų | 26 | 69.1 Ų | 69.1 | 11% | 0.114 | 35% | 0.348 | C | S | . | . | trans | -55.4 | 123.5 | 177.7 | -75.3 | -72.9 | 0 | 0 | 0 | 113.1 | L281 S282 S283 W287 Q288 K289 I863 | L281-F285 HydrophobicContact CB-CE2 4.08Å; L281-F285 HydrophobicContact CD2-CE2 4.5Å; L281-F285 HydrophobicContact CG-CE2 3.77Å; L281-F285 HydrophobicContact CG-CZ 4.4Å; S282-F285 WeakPolarHBondContact O-CD2 3.46Å; S282-F285 WeakPolarHBondContact O-CE2 3.43Å; S283-F285 PolarHBondContact O-N 2.76Å; F285-W287 HydrophobicContact CB-CG 4.49Å; F285-W287 AromaticContact CD1-CD1 3.96Å; F285-W287 AromaticContact CD1-NE1 3.61Å; F285-W287 AromaticContact CG-NE1 3.63Å; F285-W287 PolarHBondContact O-N 3.1Å; F285-Q288 HydrophobicContact CB-CB 4.11Å; F285-Q288 HydrophobicContact CB-CG 4.24Å; F285-Q288 PolarHBondContact O-N 2.66Å; F285-Q288 VanDerWaalsContact O-N 3.08Å; F285-K289 PolarHBondContact O-N 2.95Å; F285-K289 VanDerWaalsContact O-N 3.07Å; F285-I863 HydrophobicContact CE1-CD1 3.6Å; F285-I863 HydrophobicContact CZ-CD1 3.71Å | ||
| 286 | P | 43.5 | Very low | 55 | Low | 79 Ų | 79 | 73.1 Ų | 73.1 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.3 | -37.8 | 177.2 | -27.3 | 35.5 | 0 | 0 | 0 | 112.8 | N284 K289 Q290 | N284-P286 WeakPolarHBondContact O-CD 3.3Å; P286-K289 PolarHBondContact O-N 3.5Å; P286-Q290 WeakPolarHBondContact O-CB 3.47Å; P286-Q290 PolarHBondContact O-N 2.96Å |
| 287 | W | 49.4 | Very low | 53.8 | Low | 114 Ų | 114 | 77.5 Ų | 77.5 | 43% | 0.432 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.8 | -33.1 | 178.3 | 76.1 | -90.9 | 0 | 0 | 0 | 112.8 | F285 T291 | F285-W287 HydrophobicContact CB-CG 4.49Å; F285-W287 AromaticContact CD1-CD1 3.96Å; F285-W287 AromaticContact CD1-NE1 3.61Å; F285-W287 AromaticContact CG-NE1 3.63Å; F285-W287 PolarHBondContact O-N 3.1Å; W287-T291 WeakPolarHBondContact O-CB 3.4Å; W287-T291 PolarHBondContact O-N 2.84Å; W287-T291 PolarHBondContact O-OG1 3.44Å |
| 288 | Q | 46.1 | Very low | 52.6 | Low | 59 Ų | 59 | 80.8 Ų | 80.8 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 171.5 | -80.9 | -169.9 | -89.2 | 0 | 0 | 110.9 | F285 Q290 T291 V292 | F285-Q288 HydrophobicContact CB-CB 4.11Å; F285-Q288 HydrophobicContact CB-CG 4.24Å; F285-Q288 PolarHBondContact O-N 2.66Å; F285-Q288 VanDerWaalsContact O-N 3.08Å; Q288-Q290 VanDerWaalsContact C-N 3.28Å; Q288-Q290 PolarHBondContact O-N 3.31Å; Q288-T291 PolarHBondContact O-N 2.87Å; Q288-V292 WeakPolarHBondContact O-CB 3.39Å; Q288-V292 WeakPolarHBondContact O-CG2 3.44Å; Q288-V292 PolarHBondContact O-N 2.93Å |
| 289 | K | 45.5 | Very low | 51.5 | Low | 117 Ų | 117 | 88 Ų | 88 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 176.7 | -67.6 | -174.2 | 179.4 | 179.5 | 0 | 111.8 | N284 F285 P286 K293 | N284-K289 WeakPolarHBondContact OD1-CE 3.3Å; N284-K289 PolarHBondContact OD1-NZ 3.01Å; F285-K289 PolarHBondContact O-N 2.95Å; F285-K289 VanDerWaalsContact O-N 3.07Å; P286-K289 PolarHBondContact O-N 3.5Å; K289-K293 VanDerWaalsContact O-CB 3.25Å; K289-K293 WeakPolarHBondContact O-CB 3.41Å; K289-K293 PolarHBondContact O-N 2.96Å |
| 290 | Q | 50.6 | Low | 50.5 | Low | 133 Ų | 133 | 91.4 Ų | 91.4 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.1 | -32.5 | 178.3 | -164.4 | 169.6 | 29.6 | 0 | 0 | 113.2 | P286 Q288 K294 | P286-Q290 WeakPolarHBondContact O-CB 3.47Å; P286-Q290 PolarHBondContact O-N 2.96Å; Q288-Q290 VanDerWaalsContact C-N 3.28Å; Q288-Q290 PolarHBondContact O-N 3.31Å; Q290-K294 VanDerWaalsContact O-CB 3.3Å; Q290-K294 WeakPolarHBondContact O-CB 3.41Å; Q290-K294 WeakPolarHBondContact O-CG 3.15Å; Q290-K294 PolarHBondContact O-N 2.86Å |
| 291 | T | 44.9 | Very low | 49.8 | Very low | 50 Ų | 50 | 93.8 Ų | 93.8 | 31% | 0.307 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.4 | -42.4 | 173.2 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | W287 Q288 K294 M295 | W287-T291 WeakPolarHBondContact O-CB 3.4Å; W287-T291 PolarHBondContact O-N 2.84Å; W287-T291 PolarHBondContact O-OG1 3.44Å; Q288-T291 PolarHBondContact O-N 2.87Å; T291-K294 CarbonylContact O-C 3.4Å; T291-K294 PolarHBondContact O-N 3.23Å; T291-M295 HydrophobicContact CG2-CE 3.75Å; T291-M295 HydrophobicContact CG2-CG 4.33Å; T291-M295 HydrophobicContact CG2-SD 3.87Å; T291-M295 WeakPolarHBondContact O-CB 3.39Å; T291-M295 VanDerWaalsContact O-CG 3.26Å; T291-M295 WeakPolarHBondContact O-CG 3.48Å; T291-M295 PolarHBondContact O-N 3.37Å |
| 292 | V | 51.1 | Low | 48.9 | Very low | 81 Ų | 81 | 104.2 Ų | 104.2 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | Q288 M295 N296 | Q288-V292 WeakPolarHBondContact O-CB 3.39Å; Q288-V292 WeakPolarHBondContact O-CG2 3.44Å; Q288-V292 PolarHBondContact O-N 2.93Å; V292-M295 PolarHBondContact O-N 3.07Å; V292-N296 PolarHBondContact O-N 3.29Å; V292-N296 PolarHBondContact O-OD1 3.08Å |
| 293 | K | 48.5 | Very low | 48.6 | Very low | 135 Ų | 135 | 109.8 Ų | 109.8 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.6 | -49.9 | 173 | -177.5 | 166.7 | -177.7 | 175.5 | 0 | 111.3 | K289 M295 N296 D297 | K289-K293 VanDerWaalsContact O-CB 3.25Å; K289-K293 WeakPolarHBondContact O-CB 3.41Å; K289-K293 PolarHBondContact O-N 2.96Å; K293-M295 VanDerWaalsContact C-N 3.31Å; K293-M295 PolarHBondContact O-N 2.88Å; K293-N296 PolarHBondContact O-N 3.49Å; K293-D297 WeakPolarHBondContact CG-OD2 3.45Å; K293-D297 WeakPolarHBondContact O-CB 3.4Å; K293-D297 PolarHBondContact O-N 2.88Å |
| 294 | K | 49.4 | Very low | 48.5 | Very low | 135 Ų | 135 | 114.7 Ų | 114.7 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.7 | -32.9 | 175.2 | -86.3 | -165.4 | 169.2 | -167.5 | 0 | 114 | Q290 T291 V298 | Q290-K294 VanDerWaalsContact O-CB 3.3Å; Q290-K294 WeakPolarHBondContact O-CB 3.41Å; Q290-K294 WeakPolarHBondContact O-CG 3.15Å; Q290-K294 PolarHBondContact O-N 2.86Å; T291-K294 CarbonylContact O-C 3.4Å; T291-K294 PolarHBondContact O-N 3.23Å; K294-V298 WeakPolarHBondContact O-CB 3.43Å; K294-V298 WeakPolarHBondContact O-CG2 3.39Å; K294-V298 PolarHBondContact O-N 2.74Å |
| 295 | M | 48.2 | Very low | 48.3 | Very low | 93 Ų | 93 | 117.5 Ų | 117.5 | 46% | 0.458 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -42.7 | 176 | -78.7 | 171.2 | 168.4 | 0 | 0 | 110.6 | T291 V292 K293 Q299 | T291-M295 HydrophobicContact CG2-CE 3.75Å; T291-M295 HydrophobicContact CG2-CG 4.33Å; T291-M295 HydrophobicContact CG2-SD 3.87Å; T291-M295 WeakPolarHBondContact O-CB 3.39Å; T291-M295 VanDerWaalsContact O-CG 3.26Å; T291-M295 WeakPolarHBondContact O-CG 3.48Å; T291-M295 PolarHBondContact O-N 3.37Å; V292-M295 PolarHBondContact O-N 3.07Å; K293-M295 VanDerWaalsContact C-N 3.31Å; K293-M295 PolarHBondContact O-N 2.88Å; M295-Q299 WeakPolarHBondContact O-CB 3.49Å; M295-Q299 PolarHBondContact O-N 3.43Å |
| 296 | N | 51.5 | Low | 48.1 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.7 | -43.6 | 174.6 | -65.3 | -2.6 | 0 | 0 | 0 | 111.6 | V292 K293 | V292-N296 PolarHBondContact O-N 3.29Å; V292-N296 PolarHBondContact O-OD1 3.08Å; K293-N296 PolarHBondContact O-N 3.49Å |
| 297 | D | 54.1 | Low | 48.3 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -41.2 | 178.1 | -60.1 | -21.9 | 0 | 0 | 0 | 111.7 | K293 | K293-D297 WeakPolarHBondContact CG-OD2 3.45Å; K293-D297 WeakPolarHBondContact O-CB 3.4Å; K293-D297 PolarHBondContact O-N 2.88Å |
| 298 | V | 53 | Low | 48.1 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -82.5 | -15.5 | -177.1 | 174.1 | 0 | 0 | 0 | 0 | 113 | K294 Q300 E301 | K294-V298 WeakPolarHBondContact O-CB 3.43Å; K294-V298 WeakPolarHBondContact O-CG2 3.39Å; K294-V298 PolarHBondContact O-N 2.74Å; V298-Q300 PolarHBondContact O-N 3.39Å; V298-E301 PolarHBondContact O-N 3.2Å |
| 299 | Q | 48.3 | Very low | 48 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -23.5 | 168.9 | -161 | 79.5 | -30.9 | 0 | 0 | 111.9 | M295 | M295-Q299 WeakPolarHBondContact O-CB 3.49Å; M295-Q299 PolarHBondContact O-N 3.43Å |
| 300 | Q | 49.8 | Very low | 48.1 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 84% | 0.836 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -15.2 | 178.2 | -163.2 | 158.9 | -17.9 | 0 | 0 | 114.4 | V298 | V298-Q300 PolarHBondContact O-N 3.39Š|
| 301 | E | 50.3 | Low | 47.9 | Very low | 150 Ų | 150 | 120 Ų | 120 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | trans | -120.4 | 83.9 | 179.9 | -71.7 | -157 | 143.9 | 0 | 0 | 113.5 | V298 N303 | V298-E301 PolarHBondContact O-N 3.2Å; E301-N303 PolarHBondContact O-N 2.91Å | ||
| 302 | R | 43.2 | Very low | 48.2 | Very low | 234 Ų | 234 | 121.5 Ų | 121.5 | 88% | 0.883 | 62% | 0.623 | S | S | * | * | trans | -70.8 | 90 | 168 | -76 | -177.4 | -76.8 | 177.9 | -7.3 | 111.3 | ||||
| 303 | N | 47.7 | Very low | 48.3 | Very low | 164 Ų | 164 | 119.5 Ų | 119.5 | 88% | 0.877 | 62% | 0.615 | S | S | * | * | trans | 164.3 | 63 | 140.7 | -82.3 | -21.5 | 0 | 0 | 0 | 113 | E301 | E301-N303 PolarHBondContact O-N 2.91Š| ||
| 304 | L | 46.1 | Very low | 48.1 | Very low | 138 Ų | 138 | 115.2 Ų | 115.2 | 72% | 0.723 | 60% | 0.598 | S | S | * | * | trans | -113.3 | 131.2 | 171.4 | -165.9 | 65.5 | 0 | 0 | 0 | 112 | V306 | L304-V306 PolarHBondContact O-N 3.49Š| ||
| 305 | T | 42.4 | Very low | 48.4 | Very low | 135 Ų | 135 | 113.6 Ų | 113.6 | 83% | 0.828 | 59% | 0.593 | S | S | * | * | trans | -69 | 102.7 | -179.4 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | H307 | T305-H307 PolarHBondContact O-N 2.81Š| ||
| 306 | V | 46.5 | Very low | 48.9 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 56% | 0.564 | 58% | 0.58 | S | S | * | * | trans | -64.7 | 118.1 | -178.7 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | L304 V310 V311 | L304-V306 PolarHBondContact O-N 3.49Å; V306-V310 HydrophobicContact CG1-CB 3.66Å; V306-V310 HydrophobicContact CG1-CG1 3.6Å; V306-V311 HydrophobicContact CB-CG2 4.08Å; V306-V311 HydrophobicContact CG1-CG2 3.67Å | ||
| 307 | H | 46.9 | Very low | 49.2 | Very low | 118 Ų | 118 | 107.9 Ų | 107.9 | 55% | 0.546 | 56% | 0.563 | S | S | . | * | trans | -58.2 | 143.1 | 179.9 | -170.1 | -103.7 | 0 | 0 | 0 | 110.9 | T305 L309 V310 V311 | T305-H307 PolarHBondContact O-N 2.81Å; H307-L309 PolarHBondContact O-N 2.73Å; H307-L309 VanDerWaalsContact O-N 3.09Å; H307-V310 HydrophobicContact CB-CG2 4.3Å; H307-V310 WeakPolarHBondContact O-CA 3.33Å; H307-V310 WeakPolarHBondContact O-CB 3.25Å; H307-V310 PolarHBondContact O-N 2.98Å; H307-V311 PolarHBondContact O-N 3.49Å; H307-V311 VanDerWaalsContact O-N 3.15Å | ||
| 308 | P | 45.5 | Very low | 49.4 | Very low | 90 Ų | 90 | 110.5 Ų | 110.5 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -55 | -35 | -175.4 | -29.5 | 36.3 | 0 | 0 | 0 | 114.4 | V310 V311 V312 | P308-V310 VanDerWaalsContact C-N 3.27Å; P308-V310 PolarHBondContact O-N 2.88Å; P308-V311 PolarHBondContact O-N 3.16Å; P308-V312 WeakPolarHBondContact O-CB 3.49Å; P308-V312 WeakPolarHBondContact O-CG2 3.38Å; P308-V312 PolarHBondContact O-N 2.95Å |
| 309 | L | 44.7 | Very low | 49.6 | Very low | 125 Ų | 125 | 110.5 Ų | 110.5 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.8 | -28.9 | 174 | -64.6 | 176 | 0 | 0 | 0 | 113.5 | H307 A313 | H307-L309 PolarHBondContact O-N 2.73Å; H307-L309 VanDerWaalsContact O-N 3.09Å; L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.48Å |
| 310 | V | 46.7 | Very low | 50.3 | Low | 83 Ų | 83 | 103.2 Ų | 103.2 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.2 | -34.7 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | V306 H307 P308 A313 D314 | V306-V310 HydrophobicContact CG1-CB 3.66Å; V306-V310 HydrophobicContact CG1-CG1 3.6Å; H307-V310 HydrophobicContact CB-CG2 4.3Å; H307-V310 WeakPolarHBondContact O-CA 3.33Å; H307-V310 WeakPolarHBondContact O-CB 3.25Å; H307-V310 PolarHBondContact O-N 2.98Å; P308-V310 VanDerWaalsContact C-N 3.27Å; P308-V310 PolarHBondContact O-N 2.88Å; V310-A313 PolarHBondContact O-N 3.42Å; V310-D314 WeakPolarHBondContact O-CB 3.27Å; V310-D314 PolarHBondContact O-N 2.92Å |
| 311 | V | 46.4 | Very low | 50.8 | Low | 72 Ų | 72 | 98.3 Ų | 98.3 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 169.4 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | V306 H307 P308 D314 Q315 | V306-V311 HydrophobicContact CB-CG2 4.08Å; V306-V311 HydrophobicContact CG1-CG2 3.67Å; H307-V311 PolarHBondContact O-N 3.49Å; H307-V311 VanDerWaalsContact O-N 3.15Å; P308-V311 PolarHBondContact O-N 3.16Å; V311-D314 PolarHBondContact O-N 3.43Å; V311-Q315 WeakPolarHBondContact O-CG 3.37Å; V311-Q315 PolarHBondContact O-N 3.46Å |
| 312 | V | 51.8 | Low | 51.3 | Low | 82 Ų | 82 | 98.7 Ų | 98.7 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | P308 D314 Q315 L316 | P308-V312 WeakPolarHBondContact O-CB 3.49Å; P308-V312 WeakPolarHBondContact O-CG2 3.38Å; P308-V312 PolarHBondContact O-N 2.95Å; V312-D314 PolarHBondContact O-N 2.99Å; V312-Q315 PolarHBondContact O-N 3.03Å; V312-L316 HydrophobicContact CG1-CD1 3.83Å; V312-L316 WeakPolarHBondContact O-CB 3.24Å; V312-L316 VanDerWaalsContact O-CD1 3.25Å; V312-L316 WeakPolarHBondContact O-CD1 3.49Å; V312-L316 PolarHBondContact O-N 2.9Å |
| 313 | A | 53.4 | Low | 52.2 | Low | 39 Ų | 39 | 88.1 Ų | 88.1 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L309 V310 N317 | L309-A313 WeakPolarHBondContact O-CB 3.43Å; L309-A313 PolarHBondContact O-N 3.48Å; V310-A313 PolarHBondContact O-N 3.42Å; A313-N317 WeakPolarHBondContact O-CB 3.41Å; A313-N317 PolarHBondContact O-N 3.32Å |
| 314 | D | 44.8 | Very low | 52.9 | Low | 45 Ų | 45 | 82 Ų | 82 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 174 | -175.4 | 68.7 | 0 | 0 | 0 | 111.4 | V310 V311 V312 N317 R318 | V310-D314 WeakPolarHBondContact O-CB 3.27Å; V310-D314 PolarHBondContact O-N 2.92Å; V311-D314 PolarHBondContact O-N 3.43Å; V312-D314 PolarHBondContact O-N 2.99Å; D314-N317 PolarHBondContact O-N 3.48Å; D314-R318 WeakPolarHBondContact O-CG 3.49Å; D314-R318 PolarHBondContact O-N 2.97Å; D314-R318 IonicContact OD1-CZ 3.75Å; D314-R318 IonicContact OD1-NE 2.74Å; D314-R318 IonicContact OD1-NH2 3.33Å; D314-R318 PolarHBondContact OD1-NH2 2.69Å; D314-R318 IonicContact OD2-CZ 2.74Å; D314-R318 VanDerWaalsContact OD2-CZ 3.26Å; D314-R318 IonicContact OD2-NE 3.43Å; D314-R318 PolarHBondContact OD2-NE 2.93Å; D314-R318 IonicContact OD2-NH2 3.99Å; D314-R318 PolarHBondContact OD2-NH2 3.45Å |
| 315 | Q | 54.9 | Low | 53.4 | Low | 101 Ų | 101 | 78 Ų | 78 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 173.3 | -70.2 | -64.5 | -49.7 | 0 | 0 | 112 | V311 V312 R318 L319 | V311-Q315 WeakPolarHBondContact O-CG 3.37Å; V311-Q315 PolarHBondContact O-N 3.46Å; V312-Q315 PolarHBondContact O-N 3.03Å; Q315-R318 PolarHBondContact O-N 3.44Å; Q315-L319 WeakPolarHBondContact O-CB 3.38Å; Q315-L319 VanDerWaalsContact O-CG 3.27Å; Q315-L319 WeakPolarHBondContact O-CG 3.48Å; Q315-L319 PolarHBondContact O-N 3.04Å |
| 316 | L | 59.9 | Low | 54 | Low | 35 Ų | 35 | 77.9 Ų | 77.9 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.4 | -53.8 | 168.2 | -99.4 | 63.7 | 0 | 0 | 0 | 110.3 | V312 R318 L319 L320 W877 | V312-L316 HydrophobicContact CG1-CD1 3.83Å; V312-L316 WeakPolarHBondContact O-CB 3.24Å; V312-L316 VanDerWaalsContact O-CD1 3.25Å; V312-L316 WeakPolarHBondContact O-CD1 3.49Å; V312-L316 PolarHBondContact O-N 2.9Å; L316-R318 VanDerWaalsContact C-N 3.29Å; L316-R318 PolarHBondContact O-N 3.49Å; L316-L319 PolarHBondContact O-N 3.49Å; L316-L319 VanDerWaalsContact O-N 3.12Å; L316-L320 HydrophobicContact CB-CD1 4.27Å; L316-L320 WeakPolarHBondContact O-CB 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; L316-L320 PolarHBondContact O-N 2.87Å; L316-W877 HydrophobicContact CD1-CH2 4.08Å; L316-W877 HydrophobicContact CD1-CZ2 3.55Å; L316-W877 HydrophobicContact CD2-CZ2 4.23Å; L316-W877 VanDerWaalsContact CD2-NE1 3.34Å; L316-W877 HydrophobicContact CG-CZ2 3.79Å |
| 317 | N | 57.8 | Low | 54 | Low | 52 Ų | 52 | 75.7 Ų | 75.7 | 28% | 0.278 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.1 | -41.5 | -178.7 | -99.1 | 4.6 | 0 | 0 | 0 | 112.5 | A313 D314 L320 S321 | A313-N317 WeakPolarHBondContact O-CB 3.41Å; A313-N317 PolarHBondContact O-N 3.32Å; D314-N317 PolarHBondContact O-N 3.48Å; N317-L320 PolarHBondContact O-N 3Å; N317-S321 WeakPolarHBondContact O-CB 3.38Å; N317-S321 PolarHBondContact O-N 2.86Å; N317-S321 PolarHBondContact O-OG 3.41Å |
| 318 | R | 56.6 | Low | 53.9 | Low | 148 Ų | 148 | 74.6 Ų | 74.6 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 176.2 | -68.1 | 173.9 | -163.4 | -88.4 | -8.5 | 113.1 | D314 Q315 L316 L320 S321 H322 | D314-R318 WeakPolarHBondContact O-CG 3.49Å; D314-R318 PolarHBondContact O-N 2.97Å; D314-R318 IonicContact OD1-CZ 3.75Å; D314-R318 IonicContact OD1-NE 2.74Å; D314-R318 IonicContact OD1-NH2 3.33Å; D314-R318 PolarHBondContact OD1-NH2 2.69Å; D314-R318 IonicContact OD2-CZ 2.74Å; D314-R318 VanDerWaalsContact OD2-CZ 3.26Å; D314-R318 IonicContact OD2-NE 3.43Å; D314-R318 PolarHBondContact OD2-NE 2.93Å; D314-R318 IonicContact OD2-NH2 3.99Å; D314-R318 PolarHBondContact OD2-NH2 3.45Å; Q315-R318 PolarHBondContact O-N 3.44Å; L316-R318 VanDerWaalsContact C-N 3.29Å; L316-R318 PolarHBondContact O-N 3.49Å; R318-L320 VanDerWaalsContact C-N 3.32Å; R318-S321 PolarHBondContact O-OG 3.02Å; R318-H322 PolarHBondContact O-CD2 3.42Å |
| 319 | L | 57.9 | Low | 53.7 | Low | 72 Ų | 72 | 76.1 Ų | 76.1 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69 | -33.7 | 175.5 | -71.9 | 169 | 0 | 0 | 0 | 111.7 | Q315 L316 Q323 | Q315-L319 WeakPolarHBondContact O-CB 3.38Å; Q315-L319 VanDerWaalsContact O-CG 3.27Å; Q315-L319 WeakPolarHBondContact O-CG 3.48Å; Q315-L319 PolarHBondContact O-N 3.04Å; L316-L319 PolarHBondContact O-N 3.49Å; L316-L319 VanDerWaalsContact O-N 3.12Å; L319-Q323 WeakPolarHBondContact O-CG 3.2Å |
| 320 | L | 63.8 | Low | 53 | Low | 12 Ų | 12 | 78.4 Ų | 78.4 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -82.5 | -31.2 | -177.7 | -68.7 | 175.4 | 0 | 0 | 0 | 113.1 | L225 L316 N317 R318 H322 Q323 F324 W873 | L225-L320 HydrophobicContact CD2-CD2 3.63Å; L316-L320 HydrophobicContact CB-CD1 4.27Å; L316-L320 WeakPolarHBondContact O-CB 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; L316-L320 PolarHBondContact O-N 2.87Å; N317-L320 PolarHBondContact O-N 3Å; R318-L320 VanDerWaalsContact C-N 3.32Å; L320-H322 PolarHBondContact O-N 2.84Å; L320-H322 VanDerWaalsContact O-N 3.12Å; L320-Q323 PolarHBondContact O-N 2.88Å; L320-F324 HydrophobicContact CB-CE2 3.92Å; L320-F324 WeakPolarHBondContact O-CD2 3.44Å; L320-F324 WeakPolarHBondContact O-CE2 3.47Å; L320-W873 HydrophobicContact CD1-CD2 4.22Å; L320-W873 HydrophobicContact CD1-CZ2 4.48Å; L320-W873 HydrophobicContact CD2-CD2 4.23Å; L320-W873 HydrophobicContact CD2-CE3 4.06Å; L320-W873 HydrophobicContact CD2-CH2 3.26Å; L320-W873 HydrophobicContact CD2-CZ2 3.44Å; L320-W873 VanDerWaalsContact CD2-CZ2 3.44Å; L320-W873 HydrophobicContact CD2-CZ3 3.56Å |
| 321 | S | 60.5 | Low | 52.3 | Low | 77 Ų | 77 | 79.7 Ų | 79.7 | 54% | 0.538 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.1 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | N317 R318 | N317-S321 WeakPolarHBondContact O-CB 3.38Å; N317-S321 PolarHBondContact O-N 2.86Å; N317-S321 PolarHBondContact O-OG 3.41Å; R318-S321 PolarHBondContact O-OG 3.02Å |
| 322 | H | 60.7 | Low | 51.4 | Low | 158 Ų | 158 | 86 Ų | 86 | 73% | 0.731 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.5 | 173.4 | -71.3 | -75 | 0 | 0 | 0 | 114.2 | R318 L320 | R318-H322 PolarHBondContact O-CD2 3.42Å; L320-H322 PolarHBondContact O-N 2.84Å; L320-H322 VanDerWaalsContact O-N 3.12Å |
| 323 | Q | 62.2 | Low | 50.4 | Low | 11 Ų | 11 | 87.8 Ų | 87.8 | 5% | 0.051 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -116.3 | 4.1 | -174.8 | -50.3 | -70.1 | -119.5 | 0 | 0 | 113.3 | C223 L319 L320 E354 C355 | C223-Q323 VanDerWaalsContact C-OE1 3.31Å; C223-Q323 VanDerWaalsContact CA-OE1 3.31Å; L319-Q323 WeakPolarHBondContact O-CG 3.2Å; L320-Q323 PolarHBondContact O-N 2.88Å; Q323-E354 PolarHBondContact O-N 3.26Å; Q323-C355 VanDerWaalsContact CD-SG 3.51Å |
| 324 | F | 62.5 | Low | 49.4 | Very low | 35 Ų | 35 | 91.6 Ų | 91.6 | 15% | 0.154 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.2 | -176.1 | -58.2 | -60.3 | 0 | 0 | 0 | 113.8 | L281 L320 L351 I352 N353 W873 | L281-F324 HydrophobicContact CD1-CE1 3.82Å; L281-F324 HydrophobicContact CD1-CZ 3.72Å; L281-F324 HydrophobicContact CD2-CD2 4.46Å; L281-F324 HydrophobicContact CD2-CE1 4.24Å; L281-F324 HydrophobicContact CD2-CE2 3.66Å; L281-F324 HydrophobicContact CD2-CZ 3.54Å; L281-F324 HydrophobicContact CG-CE1 4.46Å; L281-F324 HydrophobicContact CG-CZ 4.17Å; L320-F324 HydrophobicContact CB-CE2 3.92Å; L320-F324 WeakPolarHBondContact O-CD2 3.44Å; L320-F324 WeakPolarHBondContact O-CE2 3.47Å; F324-L351 HydrophobicContact CB-CB 4.08Å; F324-L351 HydrophobicContact CB-CD2 3.73Å; F324-L351 HydrophobicContact CG-CB 4.34Å; F324-L351 HydrophobicContact CG-CD2 4.35Å; F324-I352 VanDerWaalsContact CA-O 3.29Å; F324-I352 WeakPolarHBondContact CA-O 3.41Å; F324-N353 HydrophobicContact CD1-CB 4.17Å; F324-N353 HydrophobicContact CE1-CB 4.05Å; F324-W873 HydrophobicContact CE1-CZ2 4.16Å; F324-W873 AromaticContact CZ-CZ2 3.74Å; F324-W873 HydrophobicContact CZ-CZ2 3.74Å |
| 325 | T | 55.9 | Low | 48.9 | Very low | 55 Ų | 55 | 95.6 Ų | 95.6 | 34% | 0.337 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.1 | 166.1 | 41.8 | 0 | 0 | 0 | 0 | 110.1 | L351 I352 E354 | T325-L351 CarbonylContact O-C 3.53Å; T325-L351 VanDerWaalsContact O-CA 3.29Å; T325-L351 WeakPolarHBondContact O-CA 3.32Å; T325-I352 PolarHBondContact N-O 2.93Å; T325-I352 PolarHBondContact O-N 3.11Å; T325-I352 PolarHBondContact OG1-O 3.42Å; T325-E354 HydrophobicContact CG2-CG 3.63Å; T325-E354 WeakPolarHBondContact CG2-OE1 3.43Å; T325-E354 PolarHBondContact OG1-OE1 3.24Å |
| 326 | Q | 53.7 | Low | 48.1 | Very low | 133 Ų | 133 | 95.6 Ų | 95.6 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 130.2 | 170.7 | -67.4 | -175 | 5.8 | 0 | 0 | 109.7 | I349 L351 | Q326-I349 HydrophobicContact CB-CG2 4.18Å; Q326-I349 HydrophobicContact CG-CG2 3.89Å; Q326-L351 HydrophobicContact CG-CD2 3.93Å; Q326-L351 HydrophobicContact CG-CG 4.12Å |
| 327 | T | 48.5 | Very low | 46.8 | Very low | 46 Ų | 46 | 102 Ų | 102 | 28% | 0.282 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 108.5 | 172.4 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | V350 I352 | T327-V350 PolarHBondContact N-O 3.47Å; T327-V350 PolarHBondContact OG1-O 3.01Å; T327-I352 HydrophobicContact CG2-CD1 3.86Å; T327-I352 HydrophobicContact CG2-CG1 4.5Å |
| 328 | T | 44.6 | Very low | 45.7 | Very low | 95 Ų | 95 | 105.5 Ų | 105.5 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | trans | -80.7 | 113 | 169.5 | -40.2 | 0 | 0 | 0 | 0 | 108.7 | Q330 | T328-Q330 PolarHBondContact O-N 2.95Š| ||
| 329 | N | 40.8 | Very low | 44.8 | Very low | 123 Ų | 123 | 104.1 Ų | 104.1 | 66% | 0.658 | 60% | 0.597 | S | S | * | * | trans | -74.8 | 86.5 | -179.3 | -82.8 | -24.8 | 0 | 0 | 0 | 111.3 | V331 | N329-V331 VanDerWaalsContact C-N 3.28Å; N329-V331 PolarHBondContact O-N 3.18Å | ||
| 330 | Q | 29.2 | Very low | 43.6 | Very low | 172 Ų | 172 | 109.9 Ų | 109.9 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | trans | -62.7 | 89.3 | 160.2 | -81.1 | -79.9 | -39.9 | 0 | 0 | 109.3 | T328 K332 | T328-Q330 PolarHBondContact O-N 2.95Å; Q330-K332 PolarHBondContact O-N 3.29Å | ||
| 331 | V | 33.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | trans | -67.5 | 101.7 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | N329 T333 | N329-V331 VanDerWaalsContact C-N 3.28Å; N329-V331 PolarHBondContact O-N 3.18Å; V331-T333 VanDerWaalsContact C-N 3.25Å; V331-T333 HydrophobicContact CG1-CG2 4.23Å; V331-T333 PolarHBondContact O-N 3.25Å | ||
| 332 | K | 26.2 | Very low | 40.7 | Very low | 205 Ų | 205 | 123 Ų | 123 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | trans | -77.5 | 71 | -178.3 | -122.6 | -175.6 | -177.8 | -175.6 | 0 | 111.6 | Q330 | Q330-K332 PolarHBondContact O-N 3.29Š| ||
| 333 | T | 32.4 | Very low | 39.3 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 73% | 0.73 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 121.5 | 161 | 40.7 | 0 | 0 | 0 | 0 | 109.5 | V331 | V331-T333 VanDerWaalsContact C-N 3.25Å; V331-T333 HydrophobicContact CG1-CG2 4.23Å; V331-T333 PolarHBondContact O-N 3.25Å |
| 334 | S | 31.2 | Very low | 37.7 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 157.7 | 176.1 | -76.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 335 | P | 34.9 | Very low | 36.5 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -88 | 151.8 | -153 | 33.6 | -37.2 | 0 | 0 | 0 | 115.5 | ||
| 336 | A | 37.2 | Very low | 35.7 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | -136.5 | 160.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 337 | L | 33.5 | Very low | 35.1 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 88% | 0.88 | 75% | 0.75 | S | S | * | * | trans | -58.3 | 157.9 | -167.1 | -108 | 55.6 | 0 | 0 | 0 | 115.6 | ||||
| 338 | P | 35.2 | Very low | 35 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -86.2 | 147.8 | -173.1 | 35.4 | -33.8 | 0 | 0 | 0 | 113.3 | ||||
| 339 | S | 36 | Very low | 35.3 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -146.3 | 159.8 | 157.5 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | L341 | S339-L341 PolarHBondContact O-N 3.35Š| ||
| 340 | E | 32.8 | Very low | 36.1 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | trans | -77.7 | 119.5 | -160.9 | -63.7 | 168.8 | 87.1 | 0 | 0 | 114.4 | ||||
| 341 | L | 34.4 | Very low | 37.5 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -152.9 | 134.1 | 146.3 | -151.8 | 66.6 | 0 | 0 | 0 | 111.2 | S339 P343 | S339-L341 PolarHBondContact O-N 3.35Å; L341-P343 VanDerWaalsContact O-CD 3.22Å; L341-P343 WeakPolarHBondContact O-CD 3.13Å | ||
| 342 | K | 28.8 | Very low | 39.1 | Very low | 198 Ų | 198 | 119.7 Ų | 119.7 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | trans | -62.3 | 115.9 | -178.4 | -78.7 | 177 | 175.2 | 171.1 | 0 | 111.6 | N344 | K342-N344 PolarHBondContact O-N 2.97Å; K342-N344 VanDerWaalsContact O-N 3.12Å | ||
| 343 | P | 31.9 | Very low | 41.3 | Very low | 103 Ų | 103 | 110.3 Ų | 110.3 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | trans | -79.8 | 95.4 | 171.6 | 31.9 | -30.5 | 0 | 0 | 0 | 109.6 | L341 I345 | L341-P343 VanDerWaalsContact O-CD 3.22Å; L341-P343 WeakPolarHBondContact O-CD 3.13Å; P343-I345 HydrophobicContact CB-CB 4.41Å; P343-I345 HydrophobicContact CB-CD1 3.63Å; P343-I345 HydrophobicContact CB-CG1 3.74Å; P343-I345 PolarHBondContact O-N 3.42Å | ||
| 344 | N | 29.6 | Very low | 43.2 | Very low | 156 Ų | 156 | 107.3 Ų | 107.3 | 83% | 0.834 | 62% | 0.615 | S | S | * | * | trans | -77.6 | 50 | 164.7 | -163.1 | 24.3 | 0 | 0 | 0 | 110.3 | K342 T346 | K342-N344 PolarHBondContact O-N 2.97Å; K342-N344 VanDerWaalsContact O-N 3.12Å; N344-T346 PolarHBondContact O-N 2.83Å | ||
| 345 | I | 36.7 | Very low | 45.3 | Very low | 120 Ų | 120 | 101.9 Ų | 101.9 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | trans | -84.6 | 99.3 | -173.5 | -63.9 | 175.9 | 0 | 0 | 0 | 108.1 | P343 D347 | P343-I345 HydrophobicContact CB-CB 4.41Å; P343-I345 HydrophobicContact CB-CD1 3.63Å; P343-I345 HydrophobicContact CB-CG1 3.74Å; P343-I345 PolarHBondContact O-N 3.42Å; I345-D347 VanDerWaalsContact C-N 3.31Å; I345-D347 WeakPolarHBondContact CG2-OD1 3.1Å; I345-D347 PolarHBondContact O-N 3.16Å; I345-D347 VanDerWaalsContact O-N 3.08Å | ||
| 346 | T | 38.7 | Very low | 47.2 | Very low | 120 Ų | 120 | 97.1 Ų | 97.1 | 74% | 0.736 | 55% | 0.545 | S | S | * | . | trans | -74.1 | 90 | 159.8 | 55.9 | 0 | 0 | 0 | 0 | 108.2 | N344 S348 | N344-T346 PolarHBondContact O-N 2.83Å; T346-S348 PolarHBondContact O-N 2.62Å | ||
| 347 | D | 40.3 | Very low | 48.6 | Very low | 112 Ų | 112 | 95.6 Ų | 95.6 | 60% | 0.599 | 53% | 0.526 | S | S | * | . | trans | -51 | 124 | 176.4 | -86.4 | -36.2 | 0 | 0 | 0 | 110.4 | I345 I349 | I345-D347 VanDerWaalsContact C-N 3.31Å; I345-D347 WeakPolarHBondContact CG2-OD1 3.1Å; I345-D347 PolarHBondContact O-N 3.16Å; I345-D347 VanDerWaalsContact O-N 3.08Å; D347-I349 PolarHBondContact O-N 3.28Å | ||
| 348 | S | 47.2 | Very low | 49.4 | Very low | 69 Ų | 69 | 91.3 Ų | 91.3 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | trans | -77.4 | 88.2 | -176.1 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | T346 V350 | T346-S348 PolarHBondContact O-N 2.62Å; S348-V350 WeakPolarHBondContact O-CG2 3.22Å; S348-V350 PolarHBondContact O-N 2.97Å | ||
| 349 | I | 51.8 | Low | 49.8 | Very low | 63 Ų | 63 | 88.8 Ų | 88.8 | 32% | 0.323 | 52% | 0.519 | S | S | . | . | trans | -51.2 | 111.9 | 175.3 | -57 | 175 | 0 | 0 | 0 | 109.2 | S283 Q326 D347 L351 | S283-I349 WeakPolarHBondContact CB-O 3.44Å; S283-I349 PolarHBondContact N-O 2.96Å; S283-I349 VanDerWaalsContact N-O 3.15Å; S283-I349 PolarHBondContact OG-N 2.72Å; S283-I349 PolarHBondContact OG-O 3.03Å; S283-I349 VanDerWaalsContact OG-O 3.1Å; Q326-I349 HydrophobicContact CB-CG2 4.18Å; Q326-I349 HydrophobicContact CG-CG2 3.89Å; D347-I349 PolarHBondContact O-N 3.28Å; I349-L351 HydrophobicContact CG2-CD1 4Å; I349-L351 HydrophobicContact CG2-CG 4.35Å | ||
| 350 | V | 56.8 | Low | 49.9 | Very low | 30 Ų | 30 | 88.4 Ų | 88.4 | 18% | 0.182 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.5 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | I280 T327 S348 I352 | I280-V350 HydrophobicContact CG2-CG1 3.72Å; T327-V350 PolarHBondContact N-O 3.47Å; T327-V350 PolarHBondContact OG1-O 3.01Å; S348-V350 WeakPolarHBondContact O-CG2 3.22Å; S348-V350 PolarHBondContact O-N 2.97Å; V350-I352 HydrophobicContact CG1-CG1 4.29Å |
| 351 | L | 59.1 | Low | 50 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 16% | 0.157 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.5 | 172.7 | -71.4 | 108.8 | 0 | 0 | 0 | 109.5 | I280 L281 F324 T325 Q326 I349 | I280-L351 CarbonylContact C-O 3.57Å; I280-L351 WeakPolarHBondContact CA-O 3.24Å; L281-L351 HydrophobicContact CB-CB 4.02Å; L281-L351 PolarHBondContact N-O 3.17Å; L281-L351 WeakPolarHBondContact O-CB 3.43Å; L281-L351 PolarHBondContact O-N 2.8Å; F324-L351 HydrophobicContact CB-CB 4.08Å; F324-L351 HydrophobicContact CB-CD2 3.73Å; F324-L351 HydrophobicContact CG-CB 4.34Å; F324-L351 HydrophobicContact CG-CD2 4.35Å; T325-L351 CarbonylContact O-C 3.53Å; T325-L351 VanDerWaalsContact O-CA 3.29Å; T325-L351 WeakPolarHBondContact O-CA 3.32Å; Q326-L351 HydrophobicContact CG-CD2 3.93Å; Q326-L351 HydrophobicContact CG-CG 4.12Å; I349-L351 HydrophobicContact CG2-CD1 4Å; I349-L351 HydrophobicContact CG2-CG 4.35Å |
| 352 | I | 66.8 | Low | 50.4 | Low | 65 Ų | 65 | 86 Ų | 86 | 33% | 0.333 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.3 | -179.3 | -59 | 180 | 0 | 0 | 0 | 109.4 | R279 F324 T325 T327 V350 E354 | R279-I352 WeakPolarHBondContact O-CA 3.26Å; F324-I352 VanDerWaalsContact CA-O 3.29Å; F324-I352 WeakPolarHBondContact CA-O 3.41Å; T325-I352 PolarHBondContact N-O 2.93Å; T325-I352 PolarHBondContact O-N 3.11Å; T325-I352 PolarHBondContact OG1-O 3.42Å; T327-I352 HydrophobicContact CG2-CD1 3.86Å; T327-I352 HydrophobicContact CG2-CG1 4.5Å; V350-I352 HydrophobicContact CG1-CG1 4.29Å; I352-E354 PolarHBondContact O-N 3.35Å |
| 353 | N | 71.5 | Confident | 51 | Low | 8 Ų | 8 | 82.9 Ų | 82.9 | 4% | 0.043 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 104.4 | 175.9 | -177.5 | 3.8 | 0 | 0 | 0 | 111 | Q277 P278 R279 F324 C355 L356 | Q277-N353 VanDerWaalsContact CB-ND2 3.33Å; Q277-N353 WeakPolarHBondContact CB-ND2 3.44Å; Q277-N353 PolarHBondContact OE1-ND2 3.07Å; P278-N353 VanDerWaalsContact O-CB 3.28Å; P278-N353 WeakPolarHBondContact O-CB 3.43Å; P278-N353 PolarHBondContact O-ND2 3.48Å; R279-N353 PolarHBondContact O-N 3.44Å; F324-N353 HydrophobicContact CD1-CB 4.17Å; F324-N353 HydrophobicContact CE1-CB 4.05Å; N353-C355 PolarHBondContact O-N 2.89Å; N353-C355 VanDerWaalsContact OD1-CB 3.25Å; N353-C355 WeakPolarHBondContact OD1-CB 3.34Å; N353-C355 PolarHBondContact OD1-N 2.8Å; N353-L356 HydrophobicContact CB-CD1 4.45Å |
| 354 | E | 72.8 | Confident | 51.6 | Low | 57 Ų | 57 | 80.2 Ų | 80.2 | 27% | 0.266 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.9 | 178.6 | -66.7 | -71.2 | 155 | 0 | 0 | 113.6 | R221 Q323 T325 I352 L356 | R221-E354 HydrophobicContact CG-CB 4.12Å; R221-E354 WeakPolarHBondContact CG-O 3.35Å; R221-E354 IonicContact CZ-OE2 2.85Å; R221-E354 IonicContact NE-OE2 2.99Å; R221-E354 PolarHBondContact NE-OE2 3.12Å; R221-E354 IonicContact NH2-OE2 3.32Å; R221-E354 PolarHBondContact NH2-OE2 2.88Å; Q323-E354 PolarHBondContact O-N 3.26Å; T325-E354 HydrophobicContact CG2-CG 3.63Å; T325-E354 WeakPolarHBondContact CG2-OE1 3.43Å; T325-E354 PolarHBondContact OG1-OE1 3.24Å; I352-E354 PolarHBondContact O-N 3.35Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.77Å |
| 355 | C | 75.6 | Confident | 52.4 | Low | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.034 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.3 | -172.9 | -61.9 | 0 | 0 | 0 | 0 | 114.9 | C223 N226 Q323 N353 | C223-C355 HydrophobicContact CB-CB 3.67Å; C223-C355 WeakPolarHBondContact CB-SG 3.31Å; C223-C355 WeakPolarHBondContact SG-CA 3.47Å; C223-C355 WeakPolarHBondContact SG-CB 3.49Å; C223-C355 CovalentContact SG-SG 2.02Å; C223-C355 PolarHBondContact SG-SG 3.17Å; N226-C355 PolarHBondContact ND2-O 2.83Å; N226-C355 VanDerWaalsContact ND2-O 3.12Å; Q323-C355 VanDerWaalsContact CD-SG 3.51Å; N353-C355 PolarHBondContact O-N 2.89Å; N353-C355 VanDerWaalsContact OD1-CB 3.25Å; N353-C355 WeakPolarHBondContact OD1-CB 3.34Å; N353-C355 PolarHBondContact OD1-N 2.8Å |
| 356 | L | 75.1 | Confident | 52.9 | Low | 28 Ų | 28 | 77.7 Ų | 77.7 | 15% | 0.147 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -101.5 | 138.9 | 169.7 | -69.1 | 165.1 | 0 | 0 | 0 | 109.1 | Y217 L274 Q277 R279 N353 E354 G358 | Y217-L356 HydrophobicContact CE1-CD2 4.32Å; L274-L356 WeakPolarHBondContact O-CD2 3.26Å; Q277-L356 HydrophobicContact CB-CD1 4.36Å; Q277-L356 HydrophobicContact CB-CD2 4.34Å; Q277-L356 HydrophobicContact CB-CG 4.48Å; R279-L356 HydrophobicContact CB-CD1 4.41Å; R279-L356 HydrophobicContact CG-CD1 3.67Å; N353-L356 HydrophobicContact CB-CD1 4.45Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.77Å; L356-G358 PolarHBondContact O-N 3.06Å |
| 357 | P | 66 | Low | 53.2 | Low | 70 Ų | 70 | 76.9 Ų | 76.9 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | trans | -65.5 | 101.9 | -179 | 25.6 | -34 | 0 | 0 | 0 | 111.2 | Y217 | Y217-P357 HydrophobicContact CE1-CG 4.11Š| ||
| 358 | G | 50 | Low | 53.7 | Low | 77 Ų | 77 | 72.7 Ų | 72.7 | 79% | 0.794 | 43% | 0.426 | S | S | * | . | trans | -80.3 | 125.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L356 | L356-G358 PolarHBondContact O-N 3.06Š| ||
| 359 | G | 44.9 | Very low | 53.7 | Low | 74 Ų | 74 | 72.1 Ų | 72.1 | 76% | 0.763 | 42% | 0.415 | S | S | * | . | trans | 85.7 | 72.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 360 | V | 36.6 | Very low | 53.7 | Low | 110 Ų | 110 | 73.1 Ų | 73.1 | 67% | 0.667 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -111.2 | 63.9 | 156.7 | -75 | 0 | 0 | 0 | 0 | 110.9 | S364 | V360-S364 VanDerWaalsContact O-CB 3.25Å; V360-S364 WeakPolarHBondContact O-CB 3.25Å; V360-S364 PolarHBondContact O-OG 2.86Å; V360-S364 VanDerWaalsContact O-OG 3.04Å |
| 361 | N | 35.4 | Very low | 53.6 | Low | 127 Ų | 127 | 76 Ų | 76 | 68% | 0.679 | 43% | 0.434 | S | S | * | . | trans | 76.4 | 134 | 179.7 | -48.4 | -38.7 | 0 | 0 | 0 | 115.8 | I363 S364 E365 | N361-I363 PolarHBondContact O-N 2.81Å; N361-I363 VanDerWaalsContact O-N 3.12Å; N361-S364 PolarHBondContact O-N 3.47Å; N361-S364 PolarHBondContact O-OG 3.08Å; N361-E365 PolarHBondContact O-N 3.02Å | ||
| 362 | K | 42.2 | Very low | 53.2 | Low | 184 Ų | 184 | 78.5 Ų | 78.5 | 80% | 0.8 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.2 | 173.8 | -74.1 | -176.8 | 174.8 | 180 | 0 | 113.5 | S364 E365 | K362-S364 VanDerWaalsContact C-N 3.31Å; K362-E365 WeakPolarHBondContact O-CB 3.4Å; K362-E365 PolarHBondContact O-N 3.46Å; K362-E365 VanDerWaalsContact O-N 3.15Å |
| 363 | I | 42.3 | Very low | 52.5 | Low | 132 Ų | 132 | 77 Ų | 77 | 68% | 0.677 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.2 | -34.9 | 174.5 | -61.1 | 170.2 | 0 | 0 | 0 | 110.9 | N361 E365 L367 | N361-I363 PolarHBondContact O-N 2.81Å; N361-I363 VanDerWaalsContact O-N 3.12Å; I363-E365 VanDerWaalsContact C-N 3.27Å; I363-E365 PolarHBondContact O-N 2.9Å; I363-L367 PolarHBondContact O-N 3.17Å |
| 364 | S | 44.5 | Very low | 51.7 | Low | 47 Ų | 47 | 81.6 Ų | 81.6 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -77.5 | -8.3 | 174.2 | 110.1 | 0 | 0 | 0 | 0 | 113.1 | V360 N361 K362 G368 | V360-S364 VanDerWaalsContact O-CB 3.25Å; V360-S364 WeakPolarHBondContact O-CB 3.25Å; V360-S364 PolarHBondContact O-OG 2.86Å; V360-S364 VanDerWaalsContact O-OG 3.04Å; N361-S364 PolarHBondContact O-N 3.47Å; N361-S364 PolarHBondContact O-OG 3.08Å; K362-S364 VanDerWaalsContact C-N 3.31Å; S364-G368 WeakPolarHBondContact O-CA 3.35Å; S364-G368 PolarHBondContact O-N 3.37Å |
| 365 | E | 45.9 | Very low | 50.9 | Low | 90 Ų | 90 | 83.7 Ų | 83.7 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.5 | -26.2 | 175.4 | -86.1 | -143.8 | 79.6 | 0 | 0 | 113 | N361 K362 I363 K369 | N361-E365 PolarHBondContact O-N 3.02Å; K362-E365 WeakPolarHBondContact O-CB 3.4Å; K362-E365 PolarHBondContact O-N 3.46Å; K362-E365 VanDerWaalsContact O-N 3.15Å; I363-E365 VanDerWaalsContact C-N 3.27Å; I363-E365 PolarHBondContact O-N 2.9Å; E365-K369 WeakPolarHBondContact O-CD 3.42Å; E365-K369 WeakPolarHBondContact O-CE 3.27Å; E365-K369 WeakPolarHBondContact O-CG 3.47Å; E365-K369 PolarHBondContact O-NZ 3.21Å; E365-K369 WeakPolarHBondContact OE1-CE 3.43Å; E365-K369 IonicContact OE1-NZ 2.91Å; E365-K369 PolarHBondContact OE1-NZ 3.11Å |
| 366 | H | 47.3 | Very low | 49.9 | Very low | 134 Ų | 134 | 85 Ų | 85 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -89.7 | -59.2 | 167.3 | -81.5 | -81.8 | 0 | 0 | 0 | 110.5 | G368 K369 D370 | H366-G368 PolarHBondContact O-N 3.29Å; H366-K369 PolarHBondContact O-N 3.21Å; H366-D370 PolarHBondContact O-N 2.94Å |
| 367 | L | 45.6 | Very low | 49.1 | Very low | 102 Ų | 102 | 86.3 Ų | 86.3 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -53.3 | -38 | 178.9 | -97.6 | 74.2 | 0 | 0 | 0 | 112.6 | I363 I371 | I363-L367 PolarHBondContact O-N 3.17Å; L367-I371 HydrophobicContact CB-CD1 4.46Å; L367-I371 WeakPolarHBondContact O-CB 3.18Å; L367-I371 WeakPolarHBondContact O-CD1 3.44Å; L367-I371 WeakPolarHBondContact O-CG1 3.1Å; L367-I371 PolarHBondContact O-N 3.23Å |
| 368 | G | 50.1 | Low | 48.8 | Very low | 24 Ų | 24 | 86.7 Ų | 86.7 | 25% | 0.247 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -74.8 | -31 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S364 H366 V372 | S364-G368 WeakPolarHBondContact O-CA 3.35Å; S364-G368 PolarHBondContact O-N 3.37Å; H366-G368 PolarHBondContact O-N 3.29Å; G368-V372 WeakPolarHBondContact O-CB 3.17Å; G368-V372 WeakPolarHBondContact O-CG2 3.44Å; G368-V372 PolarHBondContact O-N 2.95Å |
| 369 | K | 46.6 | Very low | 49.2 | Very low | 57 Ų | 57 | 86.1 Ų | 86.1 | 25% | 0.248 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -72.4 | -41.7 | 172 | -72.7 | 172 | -159.2 | 141.8 | 0 | 110.3 | E365 H366 V372 T373 | E365-K369 WeakPolarHBondContact O-CD 3.42Å; E365-K369 WeakPolarHBondContact O-CE 3.27Å; E365-K369 WeakPolarHBondContact O-CG 3.47Å; E365-K369 PolarHBondContact O-NZ 3.21Å; E365-K369 WeakPolarHBondContact OE1-CE 3.43Å; E365-K369 IonicContact OE1-NZ 2.91Å; E365-K369 PolarHBondContact OE1-NZ 3.11Å; H366-K369 PolarHBondContact O-N 3.21Å; K369-V372 PolarHBondContact O-N 3.15Å; K369-T373 WeakPolarHBondContact O-CB 3.31Å; K369-T373 WeakPolarHBondContact O-CG2 3.3Å; K369-T373 PolarHBondContact O-N 2.98Å; K369-T373 PolarHBondContact O-OG1 2.99Å |
| 370 | D | 52.3 | Low | 49.7 | Very low | 85 Ų | 85 | 84 Ų | 84 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 174.1 | -62.6 | -33.1 | 0 | 0 | 0 | 111.3 | H366 T373 L374 | H366-D370 PolarHBondContact O-N 2.94Å; D370-T373 PolarHBondContact O-OG1 3.09Å; D370-T373 VanDerWaalsContact O-OG1 3.08Å; D370-L374 WeakPolarHBondContact O-CB 3.27Å; D370-L374 WeakPolarHBondContact O-CD1 3.37Å; D370-L374 VanDerWaalsContact O-CG 3.29Å; D370-L374 WeakPolarHBondContact O-CG 3.49Å; D370-L374 PolarHBondContact O-N 3.1Å |
| 371 | I | 56 | Low | 50.8 | Low | 89 Ų | 89 | 81.3 Ų | 81.3 | 46% | 0.456 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 176.9 | -71.9 | 165.2 | 0 | 0 | 0 | 111.5 | L367 L375 | L367-I371 HydrophobicContact CB-CD1 4.46Å; L367-I371 WeakPolarHBondContact O-CB 3.18Å; L367-I371 WeakPolarHBondContact O-CD1 3.44Å; L367-I371 WeakPolarHBondContact O-CG1 3.1Å; L367-I371 PolarHBondContact O-N 3.23Å; I371-L375 HydrophobicContact CG2-CD1 3.68Å; I371-L375 HydrophobicContact CG2-CG 4.17Å; I371-L375 WeakPolarHBondContact O-CB 2.89Å; I371-L375 WeakPolarHBondContact O-CG 3.25Å; I371-L375 PolarHBondContact O-N 3.19Å |
| 372 | V | 50.5 | Low | 52.1 | Low | 83 Ų | 83 | 78 Ų | 78 | 50% | 0.503 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.1 | -36.7 | 178.1 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | G368 K369 G376 | G368-V372 WeakPolarHBondContact O-CB 3.17Å; G368-V372 WeakPolarHBondContact O-CG2 3.44Å; G368-V372 PolarHBondContact O-N 2.95Å; K369-V372 PolarHBondContact O-N 3.15Å; V372-G376 PolarHBondContact O-N 2.78Å |
| 373 | T | 51.1 | Low | 52.8 | Low | 34 Ų | 34 | 69.6 Ų | 69.6 | 21% | 0.209 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.7 | -42.4 | 172.8 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | K369 D370 L375 G376 I377 | K369-T373 WeakPolarHBondContact O-CB 3.31Å; K369-T373 WeakPolarHBondContact O-CG2 3.3Å; K369-T373 PolarHBondContact O-N 2.98Å; K369-T373 PolarHBondContact O-OG1 2.99Å; D370-T373 PolarHBondContact O-OG1 3.09Å; D370-T373 VanDerWaalsContact O-OG1 3.08Å; T373-L375 PolarHBondContact O-N 3.25Å; T373-G376 PolarHBondContact O-N 3.41Å; T373-I377 VanDerWaalsContact O-CB 3.31Å; T373-I377 WeakPolarHBondContact O-CB 3.45Å; T373-I377 VanDerWaalsContact O-CG1 3.22Å; T373-I377 WeakPolarHBondContact O-CG1 3.29Å; T373-I377 PolarHBondContact O-N 3Å |
| 374 | L | 54.7 | Low | 53.7 | Low | 105 Ų | 105 | 63.4 Ų | 63.4 | 55% | 0.55 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 172.2 | -81.7 | 164.5 | 0 | 0 | 0 | 112.5 | D370 T378 | D370-L374 WeakPolarHBondContact O-CB 3.27Å; D370-L374 WeakPolarHBondContact O-CD1 3.37Å; D370-L374 VanDerWaalsContact O-CG 3.29Å; D370-L374 WeakPolarHBondContact O-CG 3.49Å; D370-L374 PolarHBondContact O-N 3.1Å; L374-T378 WeakPolarHBondContact O-CB 3.45Å; L374-T378 PolarHBondContact O-N 2.87Å; L374-T378 PolarHBondContact O-OG1 2.97Å |
| 375 | L | 55.8 | Low | 54.5 | Low | 100 Ų | 100 | 65.4 Ų | 65.4 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 173.9 | -75.9 | 172 | 0 | 0 | 0 | 111.3 | I371 T373 T378 V379 | I371-L375 HydrophobicContact CG2-CD1 3.68Å; I371-L375 HydrophobicContact CG2-CG 4.17Å; I371-L375 WeakPolarHBondContact O-CB 2.89Å; I371-L375 WeakPolarHBondContact O-CG 3.25Å; I371-L375 PolarHBondContact O-N 3.19Å; T373-L375 PolarHBondContact O-N 3.25Å; L375-T378 CarbonylContact O-C 3.44Å; L375-T378 PolarHBondContact O-N 3.46Å; L375-V379 WeakPolarHBondContact O-CB 3.38Å; L375-V379 VanDerWaalsContact O-CG2 3.26Å; L375-V379 WeakPolarHBondContact O-CG2 3.47Å; L375-V379 PolarHBondContact O-N 3.23Å |
| 376 | G | 54.9 | Low | 55.3 | Low | 34 Ų | 34 | 62.9 Ų | 62.9 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V372 T373 T378 V379 V380 | V372-G376 PolarHBondContact O-N 2.78Å; T373-G376 PolarHBondContact O-N 3.41Å; G376-T378 VanDerWaalsContact C-N 3.32Å; G376-T378 PolarHBondContact O-N 2.97Å; G376-V379 PolarHBondContact O-N 3.33Å; G376-V380 WeakPolarHBondContact O-CB 3.37Å; G376-V380 VanDerWaalsContact O-CG2 3.3Å; G376-V380 WeakPolarHBondContact O-CG2 3.14Å; G376-V380 PolarHBondContact O-N 2.74Å |
| 377 | I | 58.4 | Low | 55.7 | Low | 55 Ų | 55 | 57.1 Ų | 57.1 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 173.2 | -70.1 | 165.2 | 0 | 0 | 0 | 110.3 | I47 T373 V380 I381 | I47-I377 HydrophobicContact CD1-CD1 4.38Å; I47-I377 HydrophobicContact CD1-CG1 4.3Å; T373-I377 VanDerWaalsContact O-CB 3.31Å; T373-I377 WeakPolarHBondContact O-CB 3.45Å; T373-I377 VanDerWaalsContact O-CG1 3.22Å; T373-I377 WeakPolarHBondContact O-CG1 3.29Å; T373-I377 PolarHBondContact O-N 3Å; I377-V380 PolarHBondContact O-N 2.69Å; I377-I381 HydrophobicContact CG2-CD1 3.57Å; I377-I381 HydrophobicContact CG2-CG1 4.22Å; I377-I381 VanDerWaalsContact O-CB 3.29Å; I377-I381 WeakPolarHBondContact O-CB 3.28Å; I377-I381 VanDerWaalsContact O-CG1 3.27Å; I377-I381 WeakPolarHBondContact O-CG1 3.36Å; I377-I381 PolarHBondContact O-N 3.01Å |
| 378 | T | 59.7 | Low | 56.3 | Low | 77 Ų | 77 | 52.6 Ų | 52.6 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.4 | -34.8 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 112 | L374 L375 G376 S382 | L374-T378 WeakPolarHBondContact O-CB 3.45Å; L374-T378 PolarHBondContact O-N 2.87Å; L374-T378 PolarHBondContact O-OG1 2.97Å; L375-T378 CarbonylContact O-C 3.44Å; L375-T378 PolarHBondContact O-N 3.46Å; G376-T378 VanDerWaalsContact C-N 3.32Å; G376-T378 PolarHBondContact O-N 2.97Å; T378-S382 WeakPolarHBondContact O-CA 3.44Å; T378-S382 WeakPolarHBondContact O-CB 3.39Å; T378-S382 PolarHBondContact O-N 3.43Å; T378-S382 PolarHBondContact O-OG 2.85Å |
| 379 | V | 58.4 | Low | 56.7 | Low | 66 Ų | 66 | 56.4 Ų | 56.4 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.7 | -36.5 | 173.1 | 166.3 | 0 | 0 | 0 | 0 | 111 | F268 L375 G376 S382 G383 | F268-V379 HydrophobicContact CZ-CG1 4.26Å; F268-V379 HydrophobicContact CZ-CG2 4.28Å; L375-V379 WeakPolarHBondContact O-CB 3.38Å; L375-V379 VanDerWaalsContact O-CG2 3.26Å; L375-V379 WeakPolarHBondContact O-CG2 3.47Å; L375-V379 PolarHBondContact O-N 3.23Å; G376-V379 PolarHBondContact O-N 3.33Å; V379-S382 WeakPolarHBondContact CA-OG 3.35Å; V379-S382 PolarHBondContact O-OG 3.4Å; V379-G383 WeakPolarHBondContact O-CA 3.29Å; V379-G383 PolarHBondContact O-N 3.5Å |
| 380 | V | 54.5 | Low | 57.2 | Low | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.8 | -49.9 | 174.6 | 167.8 | 0 | 0 | 0 | 0 | 111 | G376 I377 G383 F384 | G376-V380 WeakPolarHBondContact O-CB 3.37Å; G376-V380 VanDerWaalsContact O-CG2 3.3Å; G376-V380 WeakPolarHBondContact O-CG2 3.14Å; G376-V380 PolarHBondContact O-N 2.74Å; I377-V380 PolarHBondContact O-N 2.69Å; V380-G383 CarbonylContact O-C 3.56Å; V380-G383 PolarHBondContact O-N 3.49Å; V380-F384 HydrophobicContact CG1-CD2 3.81Å; V380-F384 HydrophobicContact CG1-CE2 3.29Å; V380-F384 HydrophobicContact CG1-CZ 3.94Å; V380-F384 VanDerWaalsContact O-CD2 3.32Å; V380-F384 WeakPolarHBondContact O-CD2 3.46Å; V380-F384 WeakPolarHBondContact O-CG 3.11Å; V380-F384 PolarHBondContact O-N 3.46Å |
| 381 | I | 60.7 | Low | 57.2 | Low | 54 Ų | 54 | 51.5 Ų | 51.5 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 176.6 | -70.4 | 174.2 | 0 | 0 | 0 | 110.6 | I377 G383 F384 L385 | I377-I381 HydrophobicContact CG2-CD1 3.57Å; I377-I381 HydrophobicContact CG2-CG1 4.22Å; I377-I381 VanDerWaalsContact O-CB 3.29Å; I377-I381 WeakPolarHBondContact O-CB 3.28Å; I377-I381 VanDerWaalsContact O-CG1 3.27Å; I377-I381 WeakPolarHBondContact O-CG1 3.36Å; I377-I381 PolarHBondContact O-N 3.01Å; I381-G383 VanDerWaalsContact C-N 3.27Å; I381-G383 PolarHBondContact O-N 3.03Å; I381-F384 PolarHBondContact O-N 2.77Å; I381-L385 HydrophobicContact CG2-CD1 3.75Å; I381-L385 HydrophobicContact CG2-CG 4.14Å; I381-L385 WeakPolarHBondContact O-CB 3.49Å; I381-L385 VanDerWaalsContact O-CG 3.25Å; I381-L385 WeakPolarHBondContact O-CG 3.41Å; I381-L385 PolarHBondContact O-N 2.93Å |
| 382 | S | 62.6 | Low | 56.9 | Low | 58 Ų | 58 | 47.9 Ų | 47.9 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -31.8 | 175.4 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | T378 V379 Y386 | T378-S382 WeakPolarHBondContact O-CA 3.44Å; T378-S382 WeakPolarHBondContact O-CB 3.39Å; T378-S382 PolarHBondContact O-N 3.43Å; T378-S382 PolarHBondContact O-OG 2.85Å; V379-S382 WeakPolarHBondContact CA-OG 3.35Å; V379-S382 PolarHBondContact O-OG 3.4Å; S382-Y386 WeakPolarHBondContact O-CA 3.32Å; S382-Y386 WeakPolarHBondContact O-CB 3.25Å; S382-Y386 PolarHBondContact O-N 3.34Å |
| 383 | G | 57.6 | Low | 57 | Low | 6 Ų | 6 | 45.7 Ų | 45.7 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V379 V380 I381 Y386 S387 | V379-G383 WeakPolarHBondContact O-CA 3.29Å; V379-G383 PolarHBondContact O-N 3.5Å; V380-G383 CarbonylContact O-C 3.56Å; V380-G383 PolarHBondContact O-N 3.49Å; I381-G383 VanDerWaalsContact C-N 3.27Å; I381-G383 PolarHBondContact O-N 3.03Å; G383-Y386 PolarHBondContact O-N 3.26Å; G383-S387 WeakPolarHBondContact O-CB 3.33Å; G383-S387 PolarHBondContact O-N 3.25Å |
| 384 | F | 60.2 | Low | 57 | Low | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.6 | -47.6 | 174 | -66.8 | -40.5 | 0 | 0 | 0 | 111.9 | L39 F162 V380 I381 Y386 S387 S388 A847 Y850 L851 | L39-F384 HydrophobicContact CD2-CB 4.24Å; L39-F384 HydrophobicContact CD2-CD1 4Å; L39-F384 HydrophobicContact CD2-CD2 4.49Å; L39-F384 HydrophobicContact CD2-CG 4.01Å; F162-F384 HydrophobicContact CE1-CD1 4.44Å; F162-F384 HydrophobicContact CE1-CE1 4.09Å; F162-F384 HydrophobicContact CZ-CD1 4.17Å; F162-F384 HydrophobicContact CZ-CE1 4.13Å; V380-F384 HydrophobicContact CG1-CD2 3.81Å; V380-F384 HydrophobicContact CG1-CE2 3.29Å; V380-F384 HydrophobicContact CG1-CZ 3.94Å; V380-F384 VanDerWaalsContact O-CD2 3.32Å; V380-F384 WeakPolarHBondContact O-CD2 3.46Å; V380-F384 WeakPolarHBondContact O-CG 3.11Å; V380-F384 PolarHBondContact O-N 3.46Å; I381-F384 PolarHBondContact O-N 2.77Å; F384-Y386 PolarHBondContact O-N 3.36Å; F384-S387 PolarHBondContact O-N 3.46Å; F384-S388 WeakPolarHBondContact O-CB 3.19Å; F384-S388 PolarHBondContact O-N 3.09Å; F384-S388 PolarHBondContact O-OG 2.86Å; F384-S388 VanDerWaalsContact O-OG 3.09Å; F384-A847 HydrophobicContact CD1-CB 4.24Å; F384-A847 HydrophobicContact CE1-CB 3.91Å; F384-Y850 HydrophobicContact CE1-CD1 4.17Å; F384-Y850 HydrophobicContact CZ-CD1 4.22Å; F384-L851 HydrophobicContact CE2-CD1 4.28Å; F384-L851 HydrophobicContact CZ-CB 3.97Å |
| 385 | L | 61.5 | Low | 56.5 | Low | 88 Ų | 88 | 42 Ų | 42 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.4 | -39.1 | 172.7 | -70.7 | 174.9 | 0 | 0 | 0 | 111.2 | T36 I381 F389 | T36-L385 HydrophobicContact CG2-CD2 3.91Å; I381-L385 HydrophobicContact CG2-CD1 3.75Å; I381-L385 HydrophobicContact CG2-CG 4.14Å; I381-L385 WeakPolarHBondContact O-CB 3.49Å; I381-L385 VanDerWaalsContact O-CG 3.25Å; I381-L385 WeakPolarHBondContact O-CG 3.41Å; I381-L385 PolarHBondContact O-N 2.93Å; L385-F389 WeakPolarHBondContact O-CA 3.44Å; L385-F389 WeakPolarHBondContact O-CB 3.49Å; L385-F389 PolarHBondContact O-N 2.77Å |
| 386 | Y | 63.2 | Low | 56.1 | Low | 38 Ų | 38 | 42.2 Ų | 42.2 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | 176.5 | 176.1 | -98.1 | 0 | 0 | 0 | 112 | T169 L170 F173 S382 G383 F384 F389 R390 | T169-Y386 PolarHBondContact O-OH 2.64Å; T169-Y386 VanDerWaalsContact O-OH 3.08Å; T169-Y386 WeakPolarHBondContact OG1-CE1 3.32Å; L170-Y386 WeakPolarHBondContact CA-OH 3.41Å; L170-Y386 HydrophobicContact CD1-CE1 4.32Å; F173-Y386 WeakPolarHBondContact CB-OH 3.43Å; F173-Y386 AromaticContact CD1-CE2 3.69Å; F173-Y386 HydrophobicContact CD1-CE2 3.69Å; F173-Y386 AromaticContact CD1-CZ 3.98Å; F173-Y386 WeakPolarHBondContact CD1-OH 3.36Å; F173-Y386 HydrophobicContact CD2-CE2 4.49Å; F173-Y386 AromaticContact CE1-CE2 3.83Å; F173-Y386 HydrophobicContact CE1-CE2 3.83Å; F173-Y386 HydrophobicContact CG-CE2 4.03Å; F173-Y386 VanDerWaalsContact CG-OH 3.25Å; F173-Y386 WeakPolarHBondContact CG-OH 3.42Å; F173-Y386 HydrophobicContact CZ-CE2 4.29Å; S382-Y386 WeakPolarHBondContact O-CA 3.32Å; S382-Y386 WeakPolarHBondContact O-CB 3.25Å; S382-Y386 PolarHBondContact O-N 3.34Å; G383-Y386 PolarHBondContact O-N 3.26Å; F384-Y386 PolarHBondContact O-N 3.36Å; Y386-F389 PolarHBondContact O-N 3.2Å; Y386-R390 WeakPolarHBondContact O-CB 3.44Å; Y386-R390 PolarHBondContact O-N 2.74Å |
| 387 | S | 56.1 | Low | 55.8 | Low | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 173.2 | -170.5 | 0 | 0 | 0 | 0 | 111 | G383 F384 R390 A391 | G383-S387 WeakPolarHBondContact O-CB 3.33Å; G383-S387 PolarHBondContact O-N 3.25Å; F384-S387 PolarHBondContact O-N 3.46Å; S387-R390 PolarHBondContact O-N 3.36Å; S387-A391 WeakPolarHBondContact O-CB 3.34Å; S387-A391 PolarHBondContact O-N 2.9Å |
| 388 | S | 57.9 | Low | 54.9 | Low | 8 Ų | 8 | 44.6 Ų | 44.6 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.9 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | T36 F384 A391 S392 Y844 | T36-S388 WeakPolarHBondContact CG2-OG 3.4Å; T36-S388 WeakPolarHBondContact OG1-CB 3.31Å; T36-S388 PolarHBondContact OG1-OG 3.27Å; F384-S388 WeakPolarHBondContact O-CB 3.19Å; F384-S388 PolarHBondContact O-N 3.09Å; F384-S388 PolarHBondContact O-OG 2.86Å; F384-S388 VanDerWaalsContact O-OG 3.09Å; S388-A391 PolarHBondContact O-N 2.76Å; S388-S392 WeakPolarHBondContact O-CB 3.16Å; S388-S392 PolarHBondContact O-N 3.23Å; S388-Y844 PolarHBondContact OG-OH 3.04Å |
| 389 | F | 57.4 | Low | 54 | Low | 104 Ų | 104 | 41.4 Ų | 41.4 | 46% | 0.456 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.6 | -36.9 | 178.3 | -176.8 | -96.6 | 0 | 0 | 0 | 111.5 | L385 Y386 S392 M393 | L385-F389 WeakPolarHBondContact O-CA 3.44Å; L385-F389 WeakPolarHBondContact O-CB 3.49Å; L385-F389 PolarHBondContact O-N 2.77Å; Y386-F389 PolarHBondContact O-N 3.2Å; F389-S392 CarbonylContact O-C 3.6Å; F389-S392 WeakPolarHBondContact O-CA 3.48Å; F389-S392 WeakPolarHBondContact O-CB 3.43Å; F389-S392 PolarHBondContact O-N 2.85Å; F389-M393 HydrophobicContact CD1-CG 3.93Å; F389-M393 HydrophobicContact CE1-CE 4.07Å; F389-M393 HydrophobicContact CE1-CG 3.58Å; F389-M393 HydrophobicContact CE1-SD 4.13Å; F389-M393 HydrophobicContact CZ-CE 4.37Å; F389-M393 HydrophobicContact CZ-CG 3.95Å; F389-M393 HydrophobicContact CZ-SD 4.09Å; F389-M393 WeakPolarHBondContact O-CB 3.43Å; F389-M393 VanDerWaalsContact O-CG 3.25Å; F389-M393 WeakPolarHBondContact O-CG 3.49Å; F389-M393 PolarHBondContact O-N 3.33Å |
| 390 | R | 58.7 | Low | 53.2 | Low | 17 Ų | 17 | 42.7 Ų | 42.7 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.6 | -36.1 | 172.5 | -164.5 | -162.2 | 163.8 | -127.8 | 17.7 | 111.1 | T169 D172 Y386 S387 S392 M393 Q394 | T169-R390 VanDerWaalsContact CA-CZ 3.46Å; T169-R390 VanDerWaalsContact CB-CD 3.45Å; T169-R390 WeakPolarHBondContact O-CD 3.49Å; T169-R390 PolarHBondContact O-NE 3.13Å; D172-R390 VanDerWaalsContact CB-NH2 3.3Å; D172-R390 VanDerWaalsContact CG-NH2 3.27Å; D172-R390 IonicContact OD2-CZ 3.26Å; D172-R390 IonicContact OD2-NE 3.59Å; D172-R390 PolarHBondContact OD2-NE 3.49Å; D172-R390 IonicContact OD2-NH2 2.88Å; D172-R390 PolarHBondContact OD2-NH2 2.97Å; Y386-R390 WeakPolarHBondContact O-CB 3.44Å; Y386-R390 PolarHBondContact O-N 2.74Å; S387-R390 PolarHBondContact O-N 3.36Å; R390-S392 VanDerWaalsContact C-N 3.26Å; R390-S392 PolarHBondContact O-N 3.49Å; R390-M393 PolarHBondContact O-N 3.35Å; R390-Q394 HydrophobicContact CG-CG 4.13Å; R390-Q394 VanDerWaalsContact NH1-CD 3.28Å; R390-Q394 VanDerWaalsContact NH2-NE2 3.19Å; R390-Q394 VanDerWaalsContact O-CB 3.31Å; R390-Q394 WeakPolarHBondContact O-CB 3.3Å; R390-Q394 WeakPolarHBondContact O-CG 3.43Å; R390-Q394 PolarHBondContact O-N 3.39Å |
| 391 | A | 50.9 | Low | 52.6 | Low | 21 Ų | 21 | 45 Ų | 45 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -41.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.8 | R32 S387 S388 A395 F840 | R32-A391 PolarHBondContact NH1-O 2.87Å; S387-A391 WeakPolarHBondContact O-CB 3.34Å; S387-A391 PolarHBondContact O-N 2.9Å; S388-A391 PolarHBondContact O-N 2.76Å; A391-A395 WeakPolarHBondContact O-CB 3.3Å; A391-A395 PolarHBondContact O-N 2.83Å; A391-A395 VanDerWaalsContact O-N 3.16Å; A391-F840 HydrophobicContact CB-CD2 4.14Å; A391-F840 HydrophobicContact CB-CE2 4.41Å |
| 392 | S | 50.4 | Low | 51.7 | Low | 14 Ų | 14 | 45.7 Ų | 45.7 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.5 | -51 | 171.5 | -159.6 | 0 | 0 | 0 | 0 | 112.4 | R32 S388 F389 R390 R396 | R32-S392 VanDerWaalsContact NH1-CA 3.33Å; S388-S392 WeakPolarHBondContact O-CB 3.16Å; S388-S392 PolarHBondContact O-N 3.23Å; F389-S392 CarbonylContact O-C 3.6Å; F389-S392 WeakPolarHBondContact O-CA 3.48Å; F389-S392 WeakPolarHBondContact O-CB 3.43Å; F389-S392 PolarHBondContact O-N 2.85Å; R390-S392 VanDerWaalsContact C-N 3.26Å; R390-S392 PolarHBondContact O-N 3.49Å; S392-R396 VanDerWaalsContact O-CG 3.32Å; S392-R396 WeakPolarHBondContact O-CG 3.08Å; S392-R396 PolarHBondContact O-N 2.91Å; S392-R396 VanDerWaalsContact O-N 3.11Å |
| 393 | M | 51.6 | Low | 50.7 | Low | 36 Ų | 36 | 45.9 Ų | 45.9 | 18% | 0.177 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.4 | -42.6 | -177.2 | -70.5 | -81.6 | -91.5 | 0 | 0 | 113.8 | E176 F389 R390 A395 R396 R397 | E176-M393 WeakPolarHBondContact OE1-CE 3.4Å; F389-M393 HydrophobicContact CD1-CG 3.93Å; F389-M393 HydrophobicContact CE1-CE 4.07Å; F389-M393 HydrophobicContact CE1-CG 3.58Å; F389-M393 HydrophobicContact CE1-SD 4.13Å; F389-M393 HydrophobicContact CZ-CE 4.37Å; F389-M393 HydrophobicContact CZ-CG 3.95Å; F389-M393 HydrophobicContact CZ-SD 4.09Å; F389-M393 WeakPolarHBondContact O-CB 3.43Å; F389-M393 VanDerWaalsContact O-CG 3.25Å; F389-M393 WeakPolarHBondContact O-CG 3.49Å; F389-M393 PolarHBondContact O-N 3.33Å; R390-M393 PolarHBondContact O-N 3.35Å; M393-A395 VanDerWaalsContact C-N 3.33Å; M393-A395 PolarHBondContact O-N 2.73Å; M393-R396 WeakPolarHBondContact O-CB 3.43Å; M393-R396 PolarHBondContact O-N 3.43Å; M393-R397 WeakPolarHBondContact O-CB 3.41Å; M393-R397 WeakPolarHBondContact O-CG 3.4Å; M393-R397 PolarHBondContact O-N 2.81Å |
| 394 | Q | 51.1 | Low | 49.8 | Very low | 63 Ų | 63 | 52.9 Ų | 52.9 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 176 | -80.2 | -174.1 | -64.2 | 0 | 0 | 111 | R390 R397 L398 | R390-Q394 HydrophobicContact CG-CG 4.13Å; R390-Q394 VanDerWaalsContact NH1-CD 3.28Å; R390-Q394 VanDerWaalsContact NH2-NE2 3.19Å; R390-Q394 VanDerWaalsContact O-CB 3.31Å; R390-Q394 WeakPolarHBondContact O-CB 3.3Å; R390-Q394 WeakPolarHBondContact O-CG 3.43Å; R390-Q394 PolarHBondContact O-N 3.39Å; Q394-R397 CarbonylContact O-C 3.59Å; Q394-R397 PolarHBondContact O-N 3.23Å; Q394-L398 WeakPolarHBondContact O-CB 3.3Å; Q394-L398 VanDerWaalsContact O-CG 3.3Å; Q394-L398 WeakPolarHBondContact O-CG 3.29Å; Q394-L398 PolarHBondContact O-N 3.23Å |
| 395 | A | 44.9 | Very low | 49 | Very low | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -52.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A391 M393 R397 L398 G399 V834 Y835 | A391-A395 WeakPolarHBondContact O-CB 3.3Å; A391-A395 PolarHBondContact O-N 2.83Å; A391-A395 VanDerWaalsContact O-N 3.16Å; M393-A395 VanDerWaalsContact C-N 3.33Å; M393-A395 PolarHBondContact O-N 2.73Å; A395-R397 PolarHBondContact O-N 2.87Å; A395-L398 PolarHBondContact O-N 2.91Å; A395-L398 VanDerWaalsContact O-N 3.13Å; A395-G399 PolarHBondContact O-N 3.33Å; A395-V834 VanDerWaalsContact C-CG1 3.47Å; A395-V834 VanDerWaalsContact CA-O 3.25Å; A395-V834 WeakPolarHBondContact CA-O 3.27Å; A395-V834 HydrophobicContact CB-CG1 3.98Å; A395-V834 WeakPolarHBondContact O-CG1 3.4Å; A395-Y835 HydrophobicContact CB-CD1 3.71Å; A395-Y835 HydrophobicContact CB-CG 3.88Å |
| 396 | R | 48.1 | Very low | 48.1 | Very low | 103 Ų | 103 | 59.2 Ų | 59.2 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -48.9 | -40.5 | 175.5 | -74.5 | 173.8 | -177.7 | -154.7 | -0.7 | 110.4 | S392 M393 I400 | S392-R396 VanDerWaalsContact O-CG 3.32Å; S392-R396 WeakPolarHBondContact O-CG 3.08Å; S392-R396 PolarHBondContact O-N 2.91Å; S392-R396 VanDerWaalsContact O-N 3.11Å; M393-R396 WeakPolarHBondContact O-CB 3.43Å; M393-R396 PolarHBondContact O-N 3.43Å; R396-I400 WeakPolarHBondContact O-CB 3.43Å; R396-I400 VanDerWaalsContact O-CD1 3.32Å; R396-I400 WeakPolarHBondContact O-CD1 3.4Å; R396-I400 WeakPolarHBondContact O-CG1 3.47Å; R396-I400 PolarHBondContact O-N 3.49Å |
| 397 | R | 47.9 | Very low | 47 | Very low | 39 Ų | 39 | 60.4 Ų | 60.4 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -82.1 | -33.5 | -179.2 | -74.7 | 173 | 169.6 | -123.1 | 3.4 | 115.4 | E176 N180 M393 Q394 A395 R401 | E176-R397 IonicContact OE1-CZ 3.93Å; E176-R397 IonicContact OE1-NE 3.84Å; E176-R397 PolarHBondContact OE1-NE 2.97Å; E176-R397 IonicContact OE1-NH1 3.85Å; E176-R397 IonicContact OE1-NH2 2.76Å; E176-R397 PolarHBondContact OE1-NH2 3.34Å; E176-R397 WeakPolarHBondContact OE2-CD 3.48Å; E176-R397 IonicContact OE2-CZ 3.65Å; E176-R397 IonicContact OE2-NE 3.53Å; E176-R397 PolarHBondContact OE2-NE 2.74Å; E176-R397 IonicContact OE2-NH1 2.96Å; E176-R397 PolarHBondContact OE2-NH1 3.21Å; E176-R397 IonicContact OE2-NH2 3.32Å; N180-R397 PolarHBondContact ND2-NH2 3.32Å; N180-R397 PolarHBondContact OD1-NH2 2.98Å; M393-R397 WeakPolarHBondContact O-CB 3.41Å; M393-R397 WeakPolarHBondContact O-CG 3.4Å; M393-R397 PolarHBondContact O-N 2.81Å; Q394-R397 CarbonylContact O-C 3.59Å; Q394-R397 PolarHBondContact O-N 3.23Å; A395-R397 PolarHBondContact O-N 2.87Å; R397-R401 WeakPolarHBondContact O-CA 3.27Å; R397-R401 WeakPolarHBondContact O-CB 3.47Å; R397-R401 WeakPolarHBondContact O-CG 2.92Å; R397-R401 PolarHBondContact O-N 3.21Å |
| 398 | L | 40 | Very low | 46.2 | Very low | 100 Ų | 100 | 66.5 Ų | 66.5 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.3 | -47.6 | 174 | -74.3 | 168.1 | 0 | 0 | 0 | 109.7 | Q394 A395 T402 | Q394-L398 WeakPolarHBondContact O-CB 3.3Å; Q394-L398 VanDerWaalsContact O-CG 3.3Å; Q394-L398 WeakPolarHBondContact O-CG 3.29Å; Q394-L398 PolarHBondContact O-N 3.23Å; A395-L398 PolarHBondContact O-N 2.91Å; A395-L398 VanDerWaalsContact O-N 3.13Å; L398-T402 VanDerWaalsContact O-CB 3.3Å; L398-T402 WeakPolarHBondContact O-CB 3.42Å; L398-T402 VanDerWaalsContact O-CG2 3.28Å; L398-T402 WeakPolarHBondContact O-CG2 3.26Å; L398-T402 PolarHBondContact O-N 3.19Å; L398-T402 PolarHBondContact O-OG1 3.39Å |
| 399 | G | 40.7 | Very low | 45.5 | Very low | 10 Ų | 10 | 69.5 Ų | 69.5 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A395 T402 R403 | A395-G399 PolarHBondContact O-N 3.33Å; G399-T402 PolarHBondContact O-OG1 3.02Å; G399-R403 VanDerWaalsContact O-CB 3.31Å; G399-R403 WeakPolarHBondContact O-CB 3.37Å; G399-R403 VanDerWaalsContact O-CG 3.29Å; G399-R403 WeakPolarHBondContact O-CG 3.19Å; G399-R403 PolarHBondContact O-N 3.28Å |
| 400 | I | 41 | Very low | 44.5 | Very low | 94 Ų | 94 | 67 Ų | 67 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.2 | -39 | -178.8 | -66.4 | 168 | 0 | 0 | 0 | 111.6 | R396 R404 | R396-I400 WeakPolarHBondContact O-CB 3.43Å; R396-I400 VanDerWaalsContact O-CD1 3.32Å; R396-I400 WeakPolarHBondContact O-CD1 3.4Å; R396-I400 WeakPolarHBondContact O-CG1 3.47Å; R396-I400 PolarHBondContact O-N 3.49Å; I400-R404 WeakPolarHBondContact O-CA 3.46Å; I400-R404 WeakPolarHBondContact O-CB 3.42Å; I400-R404 PolarHBondContact O-N 2.76Å |
| 401 | R | 42.1 | Very low | 43.3 | Very low | 78 Ų | 78 | 70.1 Ų | 70.1 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.5 | -38.8 | 176.3 | -71.2 | -170.2 | 168.6 | 96.1 | 0.9 | 112.5 | R397 R403 R404 E405 | R397-R401 WeakPolarHBondContact O-CA 3.27Å; R397-R401 WeakPolarHBondContact O-CB 3.47Å; R397-R401 WeakPolarHBondContact O-CG 2.92Å; R397-R401 PolarHBondContact O-N 3.21Å; R401-R403 VanDerWaalsContact C-N 3.32Å; R401-R403 PolarHBondContact O-N 3.09Å; R401-R404 PolarHBondContact O-N 2.83Å; R401-E405 HydrophobicContact CB-CG 4.24Å; R401-E405 WeakPolarHBondContact O-CA 3.24Å; R401-E405 WeakPolarHBondContact O-CB 3.45Å; R401-E405 VanDerWaalsContact O-CG 3.26Å; R401-E405 WeakPolarHBondContact O-CG 3.21Å; R401-E405 PolarHBondContact O-N 3.12Å |
| 402 | T | 42.6 | Very low | 42.9 | Very low | 68 Ų | 68 | 73.7 Ų | 73.7 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 173.2 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | L398 G399 R406 | L398-T402 VanDerWaalsContact O-CB 3.3Å; L398-T402 WeakPolarHBondContact O-CB 3.42Å; L398-T402 VanDerWaalsContact O-CG2 3.28Å; L398-T402 WeakPolarHBondContact O-CG2 3.26Å; L398-T402 PolarHBondContact O-N 3.19Å; L398-T402 PolarHBondContact O-OG1 3.39Å; G399-T402 PolarHBondContact O-OG1 3.02Å; T402-R406 WeakPolarHBondContact O-CB 3.41Å; T402-R406 VanDerWaalsContact O-CD 3.25Å; T402-R406 WeakPolarHBondContact O-CD 3.5Å; T402-R406 WeakPolarHBondContact O-CG 3.46Å; T402-R406 PolarHBondContact O-N 3.09Å |
| 403 | R | 39.9 | Very low | 42.5 | Very low | 62 Ų | 62 | 79.2 Ų | 79.2 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.9 | -46 | 173 | -70.1 | 176.7 | -176.4 | -104.5 | 6.6 | 112.7 | G399 R401 L407 M814 | G399-R403 VanDerWaalsContact O-CB 3.31Å; G399-R403 WeakPolarHBondContact O-CB 3.37Å; G399-R403 VanDerWaalsContact O-CG 3.29Å; G399-R403 WeakPolarHBondContact O-CG 3.19Å; G399-R403 PolarHBondContact O-N 3.28Å; R401-R403 VanDerWaalsContact C-N 3.32Å; R401-R403 PolarHBondContact O-N 3.09Å; R403-L407 WeakPolarHBondContact O-CB 3.3Å; R403-L407 PolarHBondContact O-N 2.86Å; R403-M814 PolarHBondContact NH1-O 2.93Å |
| 404 | R | 39.7 | Very low | 41.6 | Very low | 153 Ų | 153 | 84.1 Ų | 84.1 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -79.6 | -34 | -173.1 | -160 | 179.9 | -153 | -166.3 | 7.7 | 113.9 | I400 R401 L407 K408 | I400-R404 WeakPolarHBondContact O-CA 3.46Å; I400-R404 WeakPolarHBondContact O-CB 3.42Å; I400-R404 PolarHBondContact O-N 2.76Å; R401-R404 PolarHBondContact O-N 2.83Å; R404-L407 PolarHBondContact O-N 3.33Å; R404-K408 VanDerWaalsContact O-CB 3.25Å; R404-K408 WeakPolarHBondContact O-CB 3.28Å; R404-K408 VanDerWaalsContact O-CG 3.31Å; R404-K408 WeakPolarHBondContact O-CG 3.5Å; R404-K408 PolarHBondContact O-N 2.79Å |
| 405 | E | 43 | Very low | 40.9 | Very low | 53 Ų | 53 | 88.5 Ų | 88.5 | 25% | 0.248 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -78.6 | -24.1 | 172.9 | -56.3 | -52 | 145.4 | 0 | 0 | 112 | R401 P915 | R401-E405 HydrophobicContact CB-CG 4.24Å; R401-E405 WeakPolarHBondContact O-CA 3.24Å; R401-E405 WeakPolarHBondContact O-CB 3.45Å; R401-E405 VanDerWaalsContact O-CG 3.26Å; R401-E405 WeakPolarHBondContact O-CG 3.21Å; R401-E405 PolarHBondContact O-N 3.12Å; E405-P915 WeakPolarHBondContact OE2-CD 3.27Å; E405-P915 WeakPolarHBondContact OE2-CG 3.23Å |
| 406 | R | 43.8 | Very low | 40.2 | Very low | 170 Ų | 170 | 97.6 Ų | 97.6 | 64% | 0.642 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.4 | -61.8 | 159.9 | -74.3 | 171.9 | -176.5 | 161.5 | 0.3 | 108.9 | T402 K408 A409 L410 | T402-R406 WeakPolarHBondContact O-CB 3.41Å; T402-R406 VanDerWaalsContact O-CD 3.25Å; T402-R406 WeakPolarHBondContact O-CD 3.5Å; T402-R406 WeakPolarHBondContact O-CG 3.46Å; T402-R406 PolarHBondContact O-N 3.09Å; R406-K408 VanDerWaalsContact C-N 3.28Å; R406-K408 PolarHBondContact O-N 3.27Å; R406-K408 VanDerWaalsContact O-N 3.13Å; R406-A409 CarbonylContact O-C 3.55Å; R406-A409 VanDerWaalsContact O-CA 3.28Å; R406-A409 WeakPolarHBondContact O-CA 3.11Å; R406-A409 WeakPolarHBondContact O-CB 3.21Å; R406-A409 PolarHBondContact O-N 3.42Å; R406-L410 VanDerWaalsContact O-CG 3.31Å; R406-L410 WeakPolarHBondContact O-CG 3.29Å; R406-L410 PolarHBondContact O-N 2.98Å |
| 407 | L | 38.5 | Very low | 39.4 | Very low | 64 Ų | 64 | 98.6 Ų | 98.6 | 34% | 0.335 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -52.5 | -38.6 | -175.9 | -167.4 | 67.8 | 0 | 0 | 0 | 113.9 | R403 R404 A409 L410 L411 L815 | R403-L407 WeakPolarHBondContact O-CB 3.3Å; R403-L407 PolarHBondContact O-N 2.86Å; R404-L407 PolarHBondContact O-N 3.33Å; L407-A409 VanDerWaalsContact C-N 3.29Å; L407-A409 PolarHBondContact O-N 3.21Å; L407-L410 HydrophobicContact CD1-CD1 4.42Å; L407-L410 PolarHBondContact O-N 3.22Å; L407-L410 VanDerWaalsContact O-N 3.11Å; L407-L411 HydrophobicContact CD1-CD1 3.4Å; L407-L411 HydrophobicContact CG-CD1 3.68Å; L407-L411 WeakPolarHBondContact O-CD1 3.35Å; L407-L411 PolarHBondContact O-N 3.19Å; L407-L815 HydrophobicContact CD1-CD2 4.12Å |
| 408 | K | 40.5 | Very low | 38.6 | Very low | 140 Ų | 140 | 100.7 Ų | 100.7 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.2 | -12.2 | 173.7 | -76.6 | -171 | 166.6 | -146.6 | 0 | 115.4 | R404 R406 | R404-K408 VanDerWaalsContact O-CB 3.25Å; R404-K408 WeakPolarHBondContact O-CB 3.28Å; R404-K408 VanDerWaalsContact O-CG 3.31Å; R404-K408 WeakPolarHBondContact O-CG 3.5Å; R404-K408 PolarHBondContact O-N 2.79Å; R406-K408 VanDerWaalsContact C-N 3.28Å; R406-K408 PolarHBondContact O-N 3.27Å; R406-K408 VanDerWaalsContact O-N 3.13Å |
| 409 | A | 43.7 | Very low | 38.1 | Very low | 71 Ų | 71 | 102.9 Ų | 102.9 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -100.1 | -9.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R406 L407 L790 | R406-A409 CarbonylContact O-C 3.55Å; R406-A409 VanDerWaalsContact O-CA 3.28Å; R406-A409 WeakPolarHBondContact O-CA 3.11Å; R406-A409 WeakPolarHBondContact O-CB 3.21Å; R406-A409 PolarHBondContact O-N 3.42Å; L407-A409 VanDerWaalsContact C-N 3.29Å; L407-A409 PolarHBondContact O-N 3.21Å; A409-L790 WeakPolarHBondContact O-CD2 3.36Å |
| 410 | L | 34.9 | Very low | 37.4 | Very low | 52 Ų | 52 | 108.5 Ų | 108.5 | 27% | 0.272 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -88.7 | -38.3 | 171.4 | -48.6 | -174.9 | 0 | 0 | 0 | 111.9 | R406 L407 L790 | R406-L410 VanDerWaalsContact O-CG 3.31Å; R406-L410 WeakPolarHBondContact O-CG 3.29Å; R406-L410 PolarHBondContact O-N 2.98Å; L407-L410 HydrophobicContact CD1-CD1 4.42Å; L407-L410 PolarHBondContact O-N 3.22Å; L407-L410 VanDerWaalsContact O-N 3.11Å; L410-L790 HydrophobicContact CB-CD2 4.49Å; L410-L790 HydrophobicContact CD2-CD1 3.55Å; L410-L790 HydrophobicContact CD2-CD2 3.84Å; L410-L790 HydrophobicContact CD2-CG 3.57Å |
| 411 | L | 35.1 | Very low | 36.9 | Very low | 82 Ų | 82 | 110.3 Ų | 110.3 | 43% | 0.429 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -94.5 | 140.6 | 179 | -79.3 | 95.7 | 0 | 0 | 0 | 112.6 | L407 I414 | L407-L411 HydrophobicContact CD1-CD1 3.4Å; L407-L411 HydrophobicContact CG-CD1 3.68Å; L407-L411 WeakPolarHBondContact O-CD1 3.35Å; L407-L411 PolarHBondContact O-N 3.19Å; L411-I414 HydrophobicContact CD2-CD1 4.02Å |
| 412 | P | 40.6 | Very low | 36.3 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | trans | -64.1 | 161.7 | 159.9 | 31 | -34.8 | 0 | 0 | 0 | 110.8 | I414 | P412-I414 PolarHBondContact O-N 2.91Å; P412-I414 VanDerWaalsContact O-N 3.08Å | ||
| 413 | P | 43.2 | Very low | 35.6 | Very low | 131 Ų | 131 | 115.4 Ų | 115.4 | 85% | 0.851 | 59% | 0.588 | S | S | * | * | trans | -65 | 111.3 | 175.4 | 27.5 | -33.9 | 0 | 0 | 0 | 110.6 | H415 | P413-H415 PolarHBondContact O-N 2.88Š| ||
| 414 | I | 32.7 | Very low | 35.2 | Very low | 138 Ų | 138 | 119 Ų | 119 | 71% | 0.708 | 62% | 0.616 | S | S | * | * | trans | -67.2 | 124.9 | 167.4 | -59.3 | 174.6 | 0 | 0 | 0 | 107.4 | L411 P412 E416 | L411-I414 HydrophobicContact CD2-CD1 4.02Å; P412-I414 PolarHBondContact O-N 2.91Å; P412-I414 VanDerWaalsContact O-N 3.08Å; I414-E416 PolarHBondContact O-N 3.48Å | ||
| 415 | H | 36.9 | Very low | 34.7 | Very low | 155 Ų | 155 | 118.6 Ų | 118.6 | 72% | 0.718 | 63% | 0.625 | S | S | * | * | trans | -78.5 | 111.7 | 176.6 | -134.3 | -61.1 | 0 | 0 | 0 | 109.1 | P413 N417 | P413-H415 PolarHBondContact O-N 2.88Å; H415-N417 PolarHBondContact CE1-OD1 2.89Å; H415-N417 VanDerWaalsContact ND1-CG 3.26Å; H415-N417 PolarHBondContact ND1-ND2 3.44Å; H415-N417 PolarHBondContact ND1-OD1 3.45Å; H415-N417 PolarHBondContact O-N 2.92Å | ||
| 416 | E | 30.2 | Very low | 34.2 | Very low | 192 Ų | 192 | 124.7 Ų | 124.7 | 90% | 0.897 | 65% | 0.654 | S | S | * | * | trans | -83.8 | 58.2 | -172.5 | -160.3 | 162.8 | -148.5 | 0 | 0 | 111 | I414 | I414-E416 PolarHBondContact O-N 3.48Š| ||
| 417 | N | 29.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | trans | -114.4 | 85.2 | -171 | -75 | 28.9 | 0 | 0 | 0 | 113.4 | H415 | H415-N417 PolarHBondContact CE1-OD1 2.89Å; H415-N417 VanDerWaalsContact ND1-CG 3.26Å; H415-N417 PolarHBondContact ND1-ND2 3.44Å; H415-N417 PolarHBondContact ND1-OD1 3.45Å; H415-N417 PolarHBondContact O-N 2.92Å | ||
| 418 | S | 30.8 | Very low | 33.4 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | trans | -171.7 | 100 | 147.5 | 59.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 419 | Q | 31.1 | Very low | 33.2 | Very low | 145 Ų | 145 | 122 Ų | 122 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | trans | -75.2 | 169.8 | 159.8 | -88.1 | 177 | -66.6 | 0 | 0 | 110.2 | P713 | Q419-P713 CarbonylContact C-O 3.29Å; Q419-P713 HydrophobicContact CB-CG 4Å; Q419-P713 VanDerWaalsContact O-O 3.12Å | ||
| 420 | F | 25.6 | Very low | 32.8 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 57% | 0.566 | 68% | 0.684 | S | S | * | * | trans | -145.9 | 94.4 | -165.7 | -164.7 | -72.9 | 0 | 0 | 0 | 111.6 | P713 N714 Y716 | F420-P713 WeakPolarHBondContact CA-O 3.32Å; F420-P713 PolarHBondContact N-O 3.04Å; F420-N714 VanDerWaalsContact CA-CG 3.49Å; F420-N714 VanDerWaalsContact CA-OD1 3.23Å; F420-N714 WeakPolarHBondContact CA-OD1 3.41Å; F420-N714 WeakPolarHBondContact CB-OD1 3.19Å; F420-N714 WeakPolarHBondContact CD1-ND2 3.4Å; F420-N714 VanDerWaalsContact CD1-OD1 3.28Å; F420-N714 WeakPolarHBondContact CD1-OD1 3.37Å; F420-N714 WeakPolarHBondContact CD2-OD1 3.3Å; F420-N714 WeakPolarHBondContact CE2-OD1 3.43Å; F420-N714 WeakPolarHBondContact CG-OD1 3.44Å; F420-Y716 HydrophobicContact CD2-CD2 4.35Å; F420-Y716 HydrophobicContact CE2-CD2 4.1Å | ||
| 421 | N | 30.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -150.3 | 141.3 | 156.1 | -89 | -21.1 | 0 | 0 | 0 | 115.6 | P713 N714 | N421-P713 PolarHBondContact N-O 3.23Å; N421-P713 VanDerWaalsContact N-O 3.1Å; N421-N714 VanDerWaalsContact C-ND2 3.31Å; N421-N714 WeakPolarHBondContact CA-ND2 3.25Å; N421-N714 VanDerWaalsContact N-CB 3.25Å; N421-N714 VanDerWaalsContact N-CG 3.26Å; N421-N714 PolarHBondContact N-ND2 2.66Å; N421-N714 WeakPolarHBondContact O-CB 3.41Å | ||
| 422 | E | 28.4 | Very low | 32.9 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | -75.5 | 172.2 | -149.9 | -52.8 | 134.3 | 94.4 | 0 | 0 | 121.1 | N714 | E422-N714 PolarHBondContact N-ND2 3.46Š| ||
| 423 | S | 27.7 | Very low | 32.7 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 104.4 | 118.2 | 131.2 | 75 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 424 | T | 32.4 | Very low | 32.2 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | 179.5 | 143.2 | 154.4 | 8.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 425 | L | 29.7 | Very low | 32.3 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -168.4 | 159 | -36.4 | -135.3 | 155.2 | 0 | 0 | 0 | 106 | ||||
| 426 | Q | 32 | Very low | 32.2 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | 70.7 | 147.3 | 169.7 | -56.2 | 175.1 | -8.9 | 0 | 0 | 116.9 | ||||
| 427 | A | 33.2 | Very low | 32.5 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | cis | -164.3 | 167.3 | -21.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 428 | S | 32.7 | Very low | 32.7 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | 81.8 | 92.8 | 155.1 | -145.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 429 | N | 36 | Very low | 32.8 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | 78.6 | 110.8 | 121.5 | -64.2 | -4.5 | 0 | 0 | 0 | 123.5 | |||||
| 430 | N | 34.9 | Very low | 32.9 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | 65.9 | 116.5 | 121.4 | -51.1 | -18.5 | 0 | 0 | 0 | 118.8 | |||||
| 431 | N | 38.1 | Very low | 33 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | -154 | -176.7 | 63.5 | -99 | -49.2 | 0 | 0 | 0 | 115.5 | |||||
| 432 | K | 34.2 | Very low | 33.3 | Very low | 202 Ų | 202 | 132.3 Ų | 132.3 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | -112.3 | -180 | -156.8 | -108.9 | -155.8 | 159.7 | 178.5 | 0 | 115.1 | ||||
| 433 | P | 36 | Very low | 33.3 | Very low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -121.3 | -173.5 | -153.5 | 46.7 | -38.1 | 0 | 0 | 0 | 115.3 | ||||
| 434 | T | 33.5 | Very low | 33.7 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -153.5 | 138.7 | 159 | 12.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 435 | Q | 35.2 | Very low | 33.8 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 48.6 | 155.7 | 135.6 | -68.7 | 159.8 | -4 | 0 | 0 | 120.8 | ||||
| 436 | S | 33.8 | Very low | 34 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -175.8 | 172.3 | -12 | 52.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 437 | S | 36.3 | Very low | 34.1 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | cis | -171.4 | 157.1 | -30.5 | 52.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 438 | N | 35.4 | Very low | 34 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 70.6 | 150.4 | 163.3 | -58.1 | -15.6 | 0 | 0 | 0 | 117.3 | ||||
| 439 | S | 31.6 | Very low | 34.1 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -167.7 | 179.1 | -15.2 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 440 | V | 33.4 | Very low | 34 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 83.7 | 148.5 | 166.6 | -168.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 441 | V | 28.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -120 | 145.4 | -163.1 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 442 | T | 35.4 | Very low | 33.6 | Very low | 143 Ų | 143 | 147 Ų | 147 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -160.9 | 137.7 | 144.9 | 0.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 443 | D | 30 | Very low | 33.9 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 144.8 | -179.9 | -93 | -59.2 | 0 | 0 | 0 | 113.5 | ||||
| 444 | N | 35.2 | Very low | 34.5 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -161.4 | 93 | 153 | -107.4 | -58.8 | 0 | 0 | 0 | 112.3 | N446 | N444-N446 PolarHBondContact O-N 3.21Š| ||
| 445 | L | 34.4 | Very low | 35.1 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -79.6 | 79.7 | -176.1 | -165.5 | 86.8 | 0 | 0 | 0 | 112.4 | ||||
| 446 | N | 32.9 | Very low | 35.7 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -82.2 | 149.8 | -174.5 | -149.4 | -13.4 | 0 | 0 | 0 | 114 | N444 | N444-N446 PolarHBondContact O-N 3.21Š| ||
| 447 | K | 34.6 | Very low | 36.3 | Very low | 184 Ų | 184 | 141 Ų | 141 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | -116.7 | 112.9 | -155.5 | -168.9 | 178.9 | -171.8 | 174.9 | 0 | 111.5 | ||||
| 448 | S | 31.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -67 | 135.2 | -175.7 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 449 | P | 34.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -85 | 144.8 | -173.7 | 32.5 | -35.3 | 0 | 0 | 0 | 113.1 | R451 | P449-R451 PolarHBondContact O-N 3.42Š| ||
| 450 | I | 33 | Very low | 38.8 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | -70.7 | 111.9 | 171.8 | -61.2 | 173.1 | 0 | 0 | 0 | 108.7 | F452 | I450-F452 PolarHBondContact O-N 2.84Š| ||
| 451 | R | 31.8 | Very low | 39.3 | Very low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.906 | 69% | 0.694 | S | S | * | * | trans | -77.1 | 111.4 | 177.6 | -172.4 | -179.3 | -66.8 | -174 | -0.4 | 110.2 | P449 | P449-R451 PolarHBondContact O-N 3.42Š| ||
| 452 | F | 33.1 | Very low | 40.4 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 145.1 | 170 | -72 | -93.3 | 0 | 0 | 0 | 110.9 | I450 | I450-F452 PolarHBondContact O-N 2.84Š|
| 453 | M | 41.7 | Very low | 41.5 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 53% | 0.527 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 146.2 | -178.9 | -150 | 168.1 | 76.3 | 0 | 0 | 111 | D457 V458 | M453-D457 HydrophobicContact CE-CB 4.33Å; M453-D457 HydrophobicContact CG-CB 4.02Å; M453-V458 HydrophobicContact CE-CG2 4Å |
| 454 | N | 46.9 | Very low | 42.6 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -75.9 | 146.7 | -173.9 | -164.8 | -36.5 | 0 | 0 | 0 | 111.1 | K456 D457 V458 | N454-K456 PolarHBondContact O-N 2.73Å; N454-K456 PolarHBondContact OD1-N 2.99Å; N454-D457 VanDerWaalsContact CB-OD2 3.23Å; N454-D457 WeakPolarHBondContact CB-OD2 3.37Å; N454-D457 PolarHBondContact N-OD2 3.18Å; N454-D457 WeakPolarHBondContact O-CB 3.39Å; N454-D457 PolarHBondContact O-N 3.48Å; N454-V458 PolarHBondContact O-N 2.88Å; N454-V458 VanDerWaalsContact O-N 3.14Å |
| 455 | Y | 47.1 | Very low | 43.1 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 66% | 0.663 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -53.8 | -34 | 173.1 | 177.9 | -102.6 | 0 | 0 | 0 | 112.6 | D457 V458 K459 | Y455-D457 VanDerWaalsContact C-N 3.32Å; Y455-D457 PolarHBondContact O-N 3.41Å; Y455-V458 PolarHBondContact O-N 3.37Å; Y455-K459 PolarHBondContact O-N 2.93Å |
| 456 | K | 48.7 | Very low | 44.2 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -34 | 173.8 | -70.4 | -172.6 | 176 | -176.8 | 0 | 113.3 | N454 R460 | N454-K456 PolarHBondContact O-N 2.73Å; N454-K456 PolarHBondContact OD1-N 2.99Å; K456-R460 WeakPolarHBondContact O-CG 3.33Å; K456-R460 PolarHBondContact O-N 3.26Å |
| 457 | D | 46.5 | Very low | 45.3 | Very low | 58 Ų | 58 | 123.4 Ų | 123.4 | 31% | 0.31 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -77 | -38 | 179.5 | -55.8 | -40.8 | 0 | 0 | 0 | 111 | M453 N454 Y455 K459 R460 Q461 | M453-D457 HydrophobicContact CE-CB 4.33Å; M453-D457 HydrophobicContact CG-CB 4.02Å; N454-D457 VanDerWaalsContact CB-OD2 3.23Å; N454-D457 WeakPolarHBondContact CB-OD2 3.37Å; N454-D457 PolarHBondContact N-OD2 3.18Å; N454-D457 WeakPolarHBondContact O-CB 3.39Å; N454-D457 PolarHBondContact O-N 3.48Å; Y455-D457 VanDerWaalsContact C-N 3.32Å; Y455-D457 PolarHBondContact O-N 3.41Å; D457-K459 VanDerWaalsContact C-N 3.35Å; D457-R460 PolarHBondContact O-N 3.21Å; D457-R460 IonicContact OD1-NH1 2.81Å; D457-Q461 WeakPolarHBondContact O-CG 3.35Å; D457-Q461 PolarHBondContact O-N 2.95Å |
| 458 | V | 46.3 | Very low | 45.9 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 42% | 0.424 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.3 | -47.4 | 170.7 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | M453 N454 Y455 R460 Q461 E462 | M453-V458 HydrophobicContact CE-CG2 4Å; N454-V458 PolarHBondContact O-N 2.88Å; N454-V458 VanDerWaalsContact O-N 3.14Å; Y455-V458 PolarHBondContact O-N 3.37Å; V458-R460 VanDerWaalsContact C-N 3.34Å; V458-R460 PolarHBondContact O-N 3.26Å; V458-Q461 PolarHBondContact O-N 3.38Å; V458-E462 WeakPolarHBondContact O-CB 3.4Å; V458-E462 PolarHBondContact O-N 2.89Å |
| 459 | K | 54.7 | Low | 46.5 | Very low | 124 Ų | 124 | 114.9 Ų | 114.9 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -30.3 | 179.7 | -161.9 | 169.6 | -174.1 | 175.2 | 0 | 113.2 | Y455 D457 H463 | Y455-K459 PolarHBondContact O-N 2.93Å; D457-K459 VanDerWaalsContact C-N 3.35Å; K459-H463 WeakPolarHBondContact O-CB 3.11Å; K459-H463 PolarHBondContact O-N 3.18Å; K459-H463 VanDerWaalsContact O-N 3.08Å |
| 460 | R | 52.9 | Low | 47.3 | Very low | 184 Ų | 184 | 114 Ų | 114 | 69% | 0.694 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -46.4 | 168.9 | -81.1 | 174.6 | 170.3 | 168.3 | -8 | 111.9 | K456 D457 V458 E462 H463 A464 | K456-R460 WeakPolarHBondContact O-CG 3.33Å; K456-R460 PolarHBondContact O-N 3.26Å; D457-R460 PolarHBondContact O-N 3.21Å; D457-R460 IonicContact OD1-NH1 2.81Å; V458-R460 VanDerWaalsContact C-N 3.34Å; V458-R460 PolarHBondContact O-N 3.26Å; R460-E462 VanDerWaalsContact C-N 3.34Å; R460-H463 PolarHBondContact O-N 2.94Å; R460-A464 WeakPolarHBondContact O-CB 3.5Å; R460-A464 PolarHBondContact O-N 3.35Å |
| 461 | Q | 45.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 110.1 Ų | 110.1 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.1 | -75.1 | -176.9 | -17 | 0 | 0 | 111.7 | D457 V458 A464 L465 | D457-Q461 WeakPolarHBondContact O-CG 3.35Å; D457-Q461 PolarHBondContact O-N 2.95Å; V458-Q461 PolarHBondContact O-N 3.38Å; Q461-A464 PolarHBondContact O-N 2.9Å; Q461-L465 VanDerWaalsContact O-CB 3.31Å; Q461-L465 WeakPolarHBondContact O-CB 3.1Å; Q461-L465 PolarHBondContact O-N 3.11Å |
| 462 | E | 52.3 | Low | 48.2 | Very low | 112 Ų | 112 | 101.8 Ų | 101.8 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175.5 | -172.8 | 168.2 | -134.7 | 0 | 0 | 111.9 | V458 R460 L465 N466 | V458-E462 WeakPolarHBondContact O-CB 3.4Å; V458-E462 PolarHBondContact O-N 2.89Å; R460-E462 VanDerWaalsContact C-N 3.34Å; E462-L465 PolarHBondContact O-N 2.88Å; E462-N466 VanDerWaalsContact O-CG 3.3Å; E462-N466 PolarHBondContact O-N 3.36Å |
| 463 | H | 58.4 | Low | 48.9 | Very low | 123 Ų | 123 | 96.3 Ų | 96.3 | 57% | 0.569 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 176.1 | -172.8 | 25 | 0 | 0 | 0 | 112.8 | K459 R460 L465 N466 L467 | K459-H463 WeakPolarHBondContact O-CB 3.11Å; K459-H463 PolarHBondContact O-N 3.18Å; K459-H463 VanDerWaalsContact O-N 3.08Å; R460-H463 PolarHBondContact O-N 2.94Å; H463-L465 VanDerWaalsContact C-N 3.32Å; H463-L465 PolarHBondContact O-N 3Å; H463-N466 PolarHBondContact O-N 2.9Å; H463-L467 WeakPolarHBondContact O-CG 3.4Å; H463-L467 PolarHBondContact O-N 3.43Å |
| 464 | A | 51.7 | Low | 49.2 | Very low | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R460 Q461 L468 | R460-A464 WeakPolarHBondContact O-CB 3.5Å; R460-A464 PolarHBondContact O-N 3.35Å; Q461-A464 PolarHBondContact O-N 2.9Å; A464-L468 WeakPolarHBondContact O-CB 3.4Å; A464-L468 PolarHBondContact O-N 3.23Å |
| 465 | L | 45.7 | Very low | 48.7 | Very low | 72 Ų | 72 | 98.2 Ų | 98.2 | 38% | 0.377 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -35.4 | 176.6 | -159.1 | 72.5 | 0 | 0 | 0 | 112 | Q461 E462 H463 L468 A469 W784 | Q461-L465 VanDerWaalsContact O-CB 3.31Å; Q461-L465 WeakPolarHBondContact O-CB 3.1Å; Q461-L465 PolarHBondContact O-N 3.11Å; E462-L465 PolarHBondContact O-N 2.88Å; H463-L465 VanDerWaalsContact C-N 3.32Å; H463-L465 PolarHBondContact O-N 3Å; L465-L468 PolarHBondContact O-N 3.12Å; L465-A469 WeakPolarHBondContact O-CB 3.43Å; L465-A469 PolarHBondContact O-N 2.82Å; L465-W784 HydrophobicContact CD1-CH2 4.35Å; L465-W784 HydrophobicContact CD1-CZ3 3.83Å; L465-W784 HydrophobicContact CD2-CZ3 4.24Å; L465-W784 HydrophobicContact CG-CH2 4.29Å; L465-W784 HydrophobicContact CG-CZ3 3.86Å |
| 466 | N | 58.5 | Low | 48.5 | Very low | 88 Ų | 88 | 95.7 Ų | 95.7 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 174.1 | -67.1 | -11.9 | 0 | 0 | 0 | 111.2 | E462 H463 L468 A469 D470 | E462-N466 VanDerWaalsContact O-CG 3.3Å; E462-N466 PolarHBondContact O-N 3.36Å; H463-N466 PolarHBondContact O-N 2.9Å; N466-L468 VanDerWaalsContact C-N 3.25Å; N466-L468 PolarHBondContact O-N 3.44Å; N466-A469 WeakPolarHBondContact O-CA 3.16Å; N466-A469 WeakPolarHBondContact O-CB 2.99Å; N466-A469 PolarHBondContact O-N 3.41Å; N466-D470 PolarHBondContact O-N 3.3Å |
| 467 | L | 56.6 | Low | 48 | Very low | 99 Ų | 99 | 94.4 Ų | 94.4 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 173.4 | -73.8 | 166.5 | 0 | 0 | 0 | 112.3 | H463 A471 | H463-L467 WeakPolarHBondContact O-CG 3.4Å; H463-L467 PolarHBondContact O-N 3.43Å; L467-A471 VanDerWaalsContact O-CB 3.31Å; L467-A471 WeakPolarHBondContact O-CB 3.49Å; L467-A471 PolarHBondContact O-N 2.69Å; L467-A471 VanDerWaalsContact O-N 3.07Å |
| 468 | L | 46 | Very low | 47.4 | Very low | 85 Ų | 85 | 97.7 Ų | 97.7 | 45% | 0.445 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -32.8 | 173.3 | -164.6 | 80.7 | 0 | 0 | 0 | 112.4 | A464 L465 N466 V472 I788 | A464-L468 WeakPolarHBondContact O-CB 3.4Å; A464-L468 PolarHBondContact O-N 3.23Å; L465-L468 PolarHBondContact O-N 3.12Å; N466-L468 VanDerWaalsContact C-N 3.25Å; N466-L468 PolarHBondContact O-N 3.44Å; L468-V472 WeakPolarHBondContact O-CB 3.47Å; L468-V472 WeakPolarHBondContact O-CG2 3.17Å; L468-V472 PolarHBondContact O-N 3.07Å; L468-I788 HydrophobicContact CD2-CD1 4.48Å |
| 469 | A | 45.8 | Very low | 46.7 | Very low | 33 Ų | 33 | 103 Ų | 103 | 27% | 0.273 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.4 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L465 N466 V472 A473 W784 | L465-A469 WeakPolarHBondContact O-CB 3.43Å; L465-A469 PolarHBondContact O-N 2.82Å; N466-A469 WeakPolarHBondContact O-CA 3.16Å; N466-A469 WeakPolarHBondContact O-CB 2.99Å; N466-A469 PolarHBondContact O-N 3.41Å; A469-V472 PolarHBondContact O-N 3.18Å; A469-A473 PolarHBondContact O-N 3.48Å; A469-W784 HydrophobicContact CB-CH2 4.02Å; A469-W784 HydrophobicContact CB-CZ2 3.87Å |
| 470 | D | 51.2 | Low | 45.7 | Very low | 103 Ų | 103 | 102.8 Ų | 102.8 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.7 | -48.7 | 176.5 | -62.8 | -29.8 | 0 | 0 | 0 | 110.7 | N466 V472 A473 D474 | N466-D470 PolarHBondContact O-N 3.3Å; D470-V472 PolarHBondContact O-N 2.03Å; D470-A473 WeakPolarHBondContact O-CA 3.36Å; D470-A473 WeakPolarHBondContact O-CB 3.34Å; D470-A473 PolarHBondContact O-N 3.08Å; D470-D474 PolarHBondContact O-N 3.41Å |
| 471 | A | 42.2 | Very low | 44.6 | Very low | 67 Ų | 67 | 103.6 Ų | 103.6 | 55% | 0.554 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.8 | -16.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L467 | L467-A471 VanDerWaalsContact O-CB 3.31Å; L467-A471 WeakPolarHBondContact O-CB 3.49Å; L467-A471 PolarHBondContact O-N 2.69Å; L467-A471 VanDerWaalsContact O-N 3.07Å |
| 472 | V | 41.3 | Very low | 43.9 | Very low | 66 Ų | 66 | 111 Ų | 111 | 40% | 0.4 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -94.2 | -21.3 | 172.4 | 167.4 | 0 | 0 | 0 | 0 | 112 | L468 A469 D470 L475 | L468-V472 WeakPolarHBondContact O-CB 3.47Å; L468-V472 WeakPolarHBondContact O-CG2 3.17Å; L468-V472 PolarHBondContact O-N 3.07Å; A469-V472 PolarHBondContact O-N 3.18Å; D470-V472 PolarHBondContact O-N 2.03Å; V472-L475 HydrophobicContact CG1-CD1 4.4Å |
| 473 | A | 46.8 | Very low | 42.8 | Very low | 74 Ų | 74 | 117 Ų | 117 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.6 | -33.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A469 D470 L475 | A469-A473 PolarHBondContact O-N 3.48Å; D470-A473 WeakPolarHBondContact O-CA 3.36Å; D470-A473 WeakPolarHBondContact O-CB 3.34Å; D470-A473 PolarHBondContact O-N 3.08Å; A473-L475 PolarHBondContact O-N 2.93Å |
| 474 | D | 47.5 | Very low | 41.4 | Very low | 144 Ų | 144 | 116.6 Ų | 116.6 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -2.6 | 178.2 | -72.3 | -27.2 | 0 | 0 | 0 | 114.6 | D470 | D470-D474 PolarHBondContact O-N 3.41Š|
| 475 | L | 36.6 | Very low | 40.4 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 50% | 0.503 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -72.6 | 126.9 | 178.4 | -76.5 | 166.1 | 0 | 0 | 0 | 111.9 | V472 A473 N477 | V472-L475 HydrophobicContact CG1-CD1 4.4Å; A473-L475 PolarHBondContact O-N 2.93Å; L475-N477 PolarHBondContact O-N 2.73Å |
| 476 | P | 43.8 | Very low | 39.7 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -65 | 132.3 | -172.8 | 23.8 | -33.5 | 0 | 0 | 0 | 113 | P478 | P476-P478 WeakPolarHBondContact O-CD 3.45Š|
| 477 | N | 38.2 | Very low | 38.4 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -82 | 116.6 | -166.1 | -121.6 | -87.7 | 0 | 0 | 0 | 113.8 | L475 K479 | L475-N477 PolarHBondContact O-N 2.73Å; N477-K479 VanDerWaalsContact C-N 3.35Å; N477-K479 HydrophobicContact CB-CG 4.4Å; N477-K479 PolarHBondContact O-N 3.34Å |
| 478 | P | 33.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 68% | 0.677 | S | S | * | * | trans | -79.8 | 76.5 | 170.5 | 32.9 | -34.5 | 0 | 0 | 0 | 111.8 | P476 V480 | P476-P478 WeakPolarHBondContact O-CD 3.45Å; P478-V480 PolarHBondContact O-N 3.3Å | ||
| 479 | K | 31.7 | Very low | 36.5 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | -78 | 91.2 | 176 | -71.6 | 176.4 | -179 | 168.3 | 0 | 113.1 | N477 | N477-K479 VanDerWaalsContact C-N 3.35Å; N477-K479 HydrophobicContact CB-CG 4.4Å; N477-K479 PolarHBondContact O-N 3.34Å | ||
| 480 | V | 33.4 | Very low | 35.7 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -145.3 | 152.9 | 154.2 | -168.6 | 0 | 0 | 0 | 0 | 110.8 | P478 | P478-V480 PolarHBondContact O-N 3.3Š| ||
| 481 | F | 30.8 | Very low | 34.8 | Very low | 201 Ų | 201 | 138 Ų | 138 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | trans | 79.7 | 63.1 | 175.7 | -65 | -66.9 | 0 | 0 | 0 | 118.9 | ||||
| 482 | R | 30.6 | Very low | 34.2 | Very low | 237 Ų | 237 | 140.8 Ų | 140.8 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | trans | -82.8 | 167.2 | 142 | -81.5 | -177.5 | 172.5 | 175.4 | -2.6 | 111 | ||||
| 483 | R | 28 | Very low | 33.9 | Very low | 239 Ų | 239 | 146.1 Ų | 146.1 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | 106.6 | 148.6 | 156.3 | -62.8 | -169.6 | -174.6 | -144 | 4.2 | 116.4 | ||||
| 484 | P | 30.4 | Very low | 33.2 | Very low | 115 Ų | 115 | 151 Ų | 151 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -135 | 164.5 | -35.4 | 37.4 | -22.6 | 0 | 0 | 0 | 113.6 | ||||
| 485 | S | 30 | Very low | 32.4 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -71.8 | 140.7 | 154.5 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 486 | A | 31 | Very low | 32.1 | Very low | 96 Ų | 96 | 152 Ų | 152 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -86.6 | 117 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 487 | R | 30.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 46% | 0.457 | 79% | 0.785 | S | S | . | * | trans | 172 | 125.4 | 151.8 | -95.7 | 168.3 | -178.8 | -144.9 | 4.7 | 109.4 | R572 G573 D574 | R487-R572 PolarHBondContact NH2-O 2.94Å; R487-G573 WeakPolarHBondContact CD-O 3.27Å; R487-G573 WeakPolarHBondContact CG-O 3.26Å; R487-G573 VanDerWaalsContact CZ-O 3.27Å; R487-G573 PolarHBondContact NE-O 2.92Å; R487-G573 PolarHBondContact NH2-O 2.74Å; R487-D574 WeakPolarHBondContact CD-OD1 3.48Å; R487-D574 WeakPolarHBondContact CG-OD1 3.39Å; R487-D574 WeakPolarHBondContact CG-OD2 3.26Å; R487-D574 VanDerWaalsContact CZ-CA 3.49Å; R487-D574 IonicContact CZ-OD1 3.38Å; R487-D574 IonicContact NE-OD1 2.69Å; R487-D574 IonicContact NH1-OD1 3.3Å | ||
| 488 | Q | 30.1 | Very low | 31.2 | Very low | 176 Ų | 176 | 153.7 Ų | 153.7 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -155.8 | 119 | 170.4 | -92.8 | -160.4 | -47.4 | 0 | 0 | 109.1 | ||||
| 489 | P | 32.7 | Very low | 31.2 | Very low | 81 Ų | 81 | 151.7 Ų | 151.7 | 53% | 0.526 | 78% | 0.779 | S | S | . | * | trans | -80 | 156.8 | 139.6 | -14.6 | 31.4 | 0 | 0 | 0 | 110.1 | ||||
| 490 | R | 29.8 | Very low | 31.4 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -103.2 | 146 | 164.4 | -75.4 | 175.3 | 168.9 | 164.8 | -8 | 108.6 | ||||
| 491 | L | 31.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | trans | -133.3 | 146.2 | 141.9 | -141.5 | 76.4 | 0 | 0 | 0 | 108.3 | ||||
| 492 | N | 30.7 | Very low | 31.8 | Very low | 125 Ų | 125 | 147 Ų | 147 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | trans | -98.1 | 150.3 | 175.8 | -62.7 | -26.4 | 0 | 0 | 0 | 109.2 | ||||
| 493 | L | 33.5 | Very low | 32 | Very low | 179 Ų | 179 | 140 Ų | 140 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | trans | -136.5 | 147.7 | 145.4 | -138.3 | 74.3 | 0 | 0 | 0 | 107.9 | ||||
| 494 | Q | 33.8 | Very low | 32.4 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -112.4 | 152.3 | -172.1 | -75.9 | 174.8 | -106.9 | 0 | 0 | 112 | ||||
| 495 | A | 30 | Very low | 32.5 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 57 | 121.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 496 | L | 31.3 | Very low | 32.6 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | -146.4 | 157.2 | 121.7 | -138.2 | 72.7 | 0 | 0 | 0 | 109.8 | |||||
| 497 | N | 27.1 | Very low | 32.8 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | -112.7 | 140 | -175.9 | -68.2 | -23.2 | 0 | 0 | 0 | 111.7 | ||||
| 498 | T | 35 | Very low | 33 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -163.9 | 128.8 | 142.9 | 44 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 499 | S | 34.6 | Very low | 33.3 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | 65.9 | 132.3 | 54.8 | 95 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 500 | D | 36.1 | Very low | 33.3 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -145.7 | 148.2 | 20 | -80.5 | -69.7 | 0 | 0 | 0 | 112.3 | ||||
| 501 | V | 35.4 | Very low | 33.6 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | 60.1 | 122.2 | 102.2 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 502 | I | 35.5 | Very low | 33.8 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | -155.1 | 132.1 | 63.2 | -70 | 173.7 | 0 | 0 | 0 | 107.9 | |||||
| 503 | S | 34.9 | Very low | 33.6 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | 41.4 | 148.2 | 103.4 | -75.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 504 | Q | 36.2 | Very low | 33.4 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | cis | -162.3 | -176.8 | 0.3 | -116.4 | 167.5 | 70.9 | 0 | 0 | 107 | ||||
| 505 | N | 33.7 | Very low | 33.3 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 60% | 0.604 | 74% | 0.744 | S | S | * | * | cis | -155.6 | 178.2 | 11.8 | -137.5 | -16.7 | 0 | 0 | 0 | 115.8 | ||||
| 506 | I | 31.2 | Very low | 33.4 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -15.5 | 147.1 | 160.2 | -70.8 | 156.6 | 0 | 0 | 0 | 121.5 | ||||
| 507 | G | 35.1 | Very low | 33.4 | Very low | 63 Ų | 63 | 132.6 Ų | 132.6 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | trans | 178.2 | 54.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 508 | N | 35.5 | Very low | 33.8 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 64.8 | 157.6 | 157.7 | -57.8 | -13.7 | 0 | 0 | 0 | 118.5 | ||||
| 509 | N | 35.8 | Very low | 33.8 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -154.5 | 142.5 | -11.2 | -118.5 | -9.9 | 0 | 0 | 0 | 113 | ||||
| 510 | V | 33.9 | Very low | 33.8 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | 53.3 | 125.2 | 145.1 | -177.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 511 | G | 35.8 | Very low | 33.6 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -178.9 | 68.3 | 170 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 512 | N | 34.4 | Very low | 33.3 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | -65.7 | 161 | 173.1 | -78.6 | -21.6 | 0 | 0 | 0 | 112.3 | ||||
| 513 | C | 26.5 | Very low | 33 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | cis | -158.9 | -159.8 | -4.6 | -130.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 514 | R | 30.1 | Very low | 32.8 | Very low | 231 Ų | 231 | 139.9 Ų | 139.9 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | cis | -149.7 | 160.8 | 7.7 | 177.2 | 168.5 | -92.2 | -172.9 | -7 | 108.5 | ||||
| 515 | V | 30.5 | Very low | 32.6 | Very low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | trans | -113 | 158.1 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | N517 | V515-N517 WeakPolarHBondContact CG1-OD1 3.29Š| ||
| 516 | K | 33.2 | Very low | 32.7 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | -136.8 | 141.4 | 149.5 | -98.9 | -169.3 | 175 | -176.1 | 0 | 111.3 | ||||
| 517 | N | 31.8 | Very low | 33 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -125.9 | 151.1 | -170.9 | -68.7 | -28.8 | 0 | 0 | 0 | 112.4 | V515 | V515-N517 WeakPolarHBondContact CG1-OD1 3.29Š| ||
| 518 | T | 35.7 | Very low | 33 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -160.4 | 126 | 143.6 | 25 | 0 | 0 | 0 | 0 | 107 | ||||
| 519 | K | 34 | Very low | 33.1 | Very low | 173 Ų | 173 | 140 Ų | 140 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | 69.9 | 138.3 | 65.4 | -70.5 | -168.6 | 164.1 | -165.4 | 0 | 113.1 | |||||
| 520 | D | 34.8 | Very low | 33.2 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 56% | 0.561 | 75% | 0.75 | S | S | * | * | cis | -163.5 | 155.4 | 2.6 | -113.8 | -14.8 | 0 | 0 | 0 | 111.5 | ||||
| 521 | K | 32.7 | Very low | 33.3 | Very low | 177 Ų | 177 | 137 Ų | 137 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 62.1 | 174.5 | 144.5 | -68.2 | 173.5 | -176.3 | 177.7 | 0 | 121.3 | ||||
| 522 | L | 28.3 | Very low | 33.3 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | -167.5 | 133.8 | -56.7 | -140.4 | 96.6 | 0 | 0 | 0 | 111.1 | |||||
| 523 | F | 28.5 | Very low | 33.4 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | 62.1 | 158.5 | 146.6 | -88.9 | -129.9 | 0 | 0 | 0 | 124.7 | ||||
| 524 | A | 31.8 | Very low | 33.8 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | trans | 70.4 | 155.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 525 | S | 30.5 | Very low | 34.3 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | cis | -171.2 | 177.5 | -25.3 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 526 | H | 37.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | trans | 68.6 | 161.9 | 168.4 | -71.3 | -88.1 | 0 | 0 | 0 | 119.3 | ||||
| 527 | N | 36.2 | Very low | 34.6 | Very low | 116 Ų | 116 | 132 Ų | 132 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | cis | 180 | 147 | -48.4 | -106 | 23.1 | 0 | 0 | 0 | 109 | ||||
| 528 | N | 36.8 | Very low | 34.7 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | trans | 62.7 | 159.9 | 146.9 | -65.2 | 45.9 | 0 | 0 | 0 | 118.1 | ||||
| 529 | D | 36 | Very low | 34.7 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | cis | -156.1 | 166.1 | -9.7 | -117.7 | -26.4 | 0 | 0 | 0 | 113.5 | ||||
| 530 | V | 38 | Very low | 34.7 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | 53.7 | 112.1 | 144.4 | 177 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 531 | A | 35.5 | Very low | 34.7 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | 54.9 | 173 | 129.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 532 | D | 36.4 | Very low | 34.8 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | cis | -155.2 | 171.4 | -2.2 | -144.9 | -9 | 0 | 0 | 0 | 115.1 | ||||
| 533 | N | 37.8 | Very low | 35.2 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | trans | 59.3 | 116.6 | 145.8 | -73.8 | -39.9 | 0 | 0 | 0 | 126 | ||||
| 534 | N | 34.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | 84.7 | 160.6 | 117.6 | -64.5 | -20.6 | 0 | 0 | 0 | 126 | |||||
| 535 | H | 39.1 | Very low | 35.5 | Very low | 160 Ų | 160 | 121.2 Ų | 121.2 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | trans | 77.6 | 151 | 172.3 | -58.4 | -53.9 | 0 | 0 | 0 | 119 | ||||
| 536 | N | 34 | Very low | 35.6 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | cis | -177 | -179.4 | -42.1 | -102.1 | -0.4 | 0 | 0 | 0 | 108 | ||||
| 537 | V | 36.6 | Very low | 35.3 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | 80 | 150 | 159.6 | -177.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 538 | T | 34.2 | Very low | 35.2 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | -158.9 | 170.9 | -62.3 | -36 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 539 | T | 35.4 | Very low | 34.8 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | 66.7 | 151.6 | 149.5 | 43 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 540 | S | 33.7 | Very low | 34.4 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -174.9 | 158.6 | -15.6 | 48.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 541 | A | 34.7 | Very low | 34.1 | Very low | 88 Ų | 88 | 123 Ų | 123 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 67.2 | 154.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 542 | T | 35.1 | Very low | 33.6 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | cis | -157.4 | 165.3 | -20.6 | 16.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 543 | P | 36.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -115 | 161.1 | -169.3 | 40.9 | -32.5 | 0 | 0 | 0 | 116.9 | ||||
| 544 | T | 34.2 | Very low | 32.8 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -152.6 | 134.4 | 163.7 | 20.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 545 | T | 33 | Very low | 32.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 15.9 | 147.7 | 135.9 | 58.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 546 | T | 31.9 | Very low | 32 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -173.6 | 171.4 | -1.1 | 21.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 547 | T | 32.2 | Very low | 32 | Very low | 144 Ų | 144 | 129 Ų | 129 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 164.8 | 159.9 | 67.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 548 | G | 33.2 | Very low | 31.9 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 90.9 | 75.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | S550 | G548-S550 PolarHBondContact O-N 3.33Å; G548-S550 VanDerWaalsContact O-N 3.14Å | ||
| 549 | K | 29.2 | Very low | 31.9 | Very low | 216 Ų | 216 | 130.9 Ų | 130.9 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -78.1 | 93.7 | 172.2 | -74.6 | -177.2 | 179 | 175.8 | 0 | 112.4 | ||||
| 550 | S | 27.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -158.7 | 98.5 | 158.7 | -103.8 | 0 | 0 | 0 | 0 | 111.6 | G548 | G548-S550 PolarHBondContact O-N 3.33Å; G548-S550 VanDerWaalsContact O-N 3.14Å | ||
| 551 | T | 30.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -140 | 108.1 | 171.1 | 57.1 | 0 | 0 | 0 | 0 | 112 | R553 | T551-R553 PolarHBondContact O-N 3.48Š| ||
| 552 | L | 24.3 | Very low | 31.8 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -66.2 | 114.6 | 158.3 | -175.8 | 164.4 | 0 | 0 | 0 | 107.6 | ||||
| 553 | R | 28.8 | Very low | 32.4 | Very low | 206 Ų | 206 | 127.4 Ų | 127.4 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -139.1 | 134.3 | 175.3 | -88.3 | -168.2 | 171.4 | 151.3 | 0.6 | 114.5 | T551 | T551-R553 PolarHBondContact O-N 3.48Š| ||
| 554 | L | 30.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 125 Ų | 125 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | 0.1 | 132 | 162.1 | -66 | 78.8 | 0 | 0 | 0 | 119.2 | ||||
| 555 | A | 26.1 | Very low | 32.5 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 90% | 0.901 | 72% | 0.72 | S | S | * | * | trans | -8.5 | 119.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 556 | S | 30.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | trans | -114.5 | 114.7 | 158.9 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 557 | S | 33.3 | Very low | 33 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | trans | -85.1 | 128.5 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 558 | E | 33.3 | Very low | 33.3 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | trans | 170.4 | 156.5 | 137.6 | -99 | 179.9 | 126 | 0 | 0 | 111.4 | ||||
| 559 | P | 35.2 | Very low | 33.6 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | cis | -120.6 | 149.5 | -28.3 | 34.6 | -21.5 | 0 | 0 | 0 | 112 | L561 | P559-L561 PolarHBondContact O-N 3Š| ||
| 560 | D | 33 | Very low | 34.1 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 46% | 0.455 | 69% | 0.691 | S | S | . | * | trans | -69.9 | 100.1 | 178 | 179.5 | 8.8 | 0 | 0 | 0 | 111.7 | T562 I563 T564 | D560-T562 PolarHBondContact O-N 2.96Å; D560-T562 WeakPolarHBondContact OD1-CA 3.48Å; D560-T562 WeakPolarHBondContact OD1-CB 3.48Å; D560-T562 PolarHBondContact OD1-N 3.47Å; D560-T562 PolarHBondContact OD1-OG1 3.16Å; D560-I563 HydrophobicContact CB-CD1 4.15Å; D560-I563 HydrophobicContact CB-CG1 4.32Å; D560-I563 PolarHBondContact O-N 3.42Å; D560-I563 WeakPolarHBondContact OD2-CG1 3.02Å; D560-T564 PolarHBondContact O-N 3.37Å; D560-T564 PolarHBondContact O-OG1 2.88Å | ||
| 561 | L | 33.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -56.4 | -23.4 | 177.9 | -161.6 | 69.5 | 0 | 0 | 0 | 112.8 | P559 I563 T564 M565 | P559-L561 PolarHBondContact O-N 3Å; L561-I563 VanDerWaalsContact C-N 3.28Å; L561-I563 PolarHBondContact O-N 3.33Å; L561-T564 PolarHBondContact O-N 3.46Å; L561-M565 PolarHBondContact O-N 3.12Å |
| 562 | T | 36 | Very low | 34.9 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.9 | -16.1 | 176.2 | -21.7 | 0 | 0 | 0 | 0 | 113.2 | D560 R566 | D560-T562 PolarHBondContact O-N 2.96Å; D560-T562 WeakPolarHBondContact OD1-CA 3.48Å; D560-T562 WeakPolarHBondContact OD1-CB 3.48Å; D560-T562 PolarHBondContact OD1-N 3.47Å; D560-T562 PolarHBondContact OD1-OG1 3.16Å; T562-R566 WeakPolarHBondContact O-CG 3.3Å; T562-R566 PolarHBondContact O-NH1 2.99Å |
| 563 | I | 47.5 | Very low | 35.3 | Very low | 95 Ų | 95 | 130 Ų | 130 | 49% | 0.487 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -90.7 | -41.4 | 168.1 | -66.1 | 172.3 | 0 | 0 | 0 | 109.6 | D560 L561 M565 R566 N567 | D560-I563 HydrophobicContact CB-CD1 4.15Å; D560-I563 HydrophobicContact CB-CG1 4.32Å; D560-I563 PolarHBondContact O-N 3.42Å; D560-I563 WeakPolarHBondContact OD2-CG1 3.02Å; L561-I563 VanDerWaalsContact C-N 3.28Å; L561-I563 PolarHBondContact O-N 3.33Å; I563-M565 VanDerWaalsContact C-N 3.34Å; I563-M565 PolarHBondContact O-N 2.78Å; I563-R566 WeakPolarHBondContact O-CB 3.2Å; I563-R566 PolarHBondContact O-N 3.19Å; I563-N567 PolarHBondContact O-N 3.35Å |
| 564 | T | 35.7 | Very low | 35.4 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 41% | 0.405 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -57.4 | -45 | 176.4 | -35.8 | 0 | 0 | 0 | 0 | 111.7 | D560 L561 R566 N567 Y568 | D560-T564 PolarHBondContact O-N 3.37Å; D560-T564 PolarHBondContact O-OG1 2.88Å; L561-T564 PolarHBondContact O-N 3.46Å; T564-R566 VanDerWaalsContact C-N 3.35Å; T564-R566 PolarHBondContact O-N 3.41Å; T564-N567 PolarHBondContact O-N 2.74Å; T564-Y568 PolarHBondContact O-N 3.24Å |
| 565 | M | 37.3 | Very low | 35.6 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.5 | -34 | 173.2 | -81.7 | -163.4 | 159.4 | 0 | 0 | 113.7 | L561 I563 Y568 S569 | L561-M565 PolarHBondContact O-N 3.12Å; I563-M565 VanDerWaalsContact C-N 3.34Å; I563-M565 PolarHBondContact O-N 2.78Å; M565-Y568 PolarHBondContact O-N 3.21Å; M565-S569 VanDerWaalsContact O-CB 3.32Å; M565-S569 WeakPolarHBondContact O-CB 3.29Å; M565-S569 PolarHBondContact O-N 3.27Å |
| 566 | R | 36.9 | Very low | 35.9 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 61% | 0.611 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.6 | -32 | 177.1 | -79.8 | -176.5 | 179.6 | 105.9 | -9.1 | 112.5 | T562 I563 T564 | T562-R566 WeakPolarHBondContact O-CG 3.3Å; T562-R566 PolarHBondContact O-NH1 2.99Å; I563-R566 WeakPolarHBondContact O-CB 3.2Å; I563-R566 PolarHBondContact O-N 3.19Å; T564-R566 VanDerWaalsContact C-N 3.35Å; T564-R566 PolarHBondContact O-N 3.41Å |
| 567 | N | 38.6 | Very low | 36.1 | Very low | 92 Ų | 92 | 127 Ų | 127 | 49% | 0.492 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -76.3 | -42.4 | 172.6 | -75.6 | -12.3 | 0 | 0 | 0 | 111.8 | I563 T564 S569 R570 Q571 | I563-N567 PolarHBondContact O-N 3.35Å; T564-N567 PolarHBondContact O-N 2.74Å; N567-S569 PolarHBondContact O-N 2.91Å; N567-R570 WeakPolarHBondContact O-CB 3.04Å; N567-R570 PolarHBondContact O-N 3.17Å; N567-Q571 PolarHBondContact O-N 3.06Å |
| 568 | Y | 37.6 | Very low | 36.2 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 71% | 0.71 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58.3 | -36.3 | 173.6 | -116 | -85.5 | 0 | 0 | 0 | 112.8 | T564 M565 R570 Q571 | T564-Y568 PolarHBondContact O-N 3.24Å; M565-Y568 PolarHBondContact O-N 3.21Å; Y568-R570 PolarHBondContact O-N 2.96Å; Y568-Q571 PolarHBondContact O-N 3.49Å |
| 569 | S | 40.1 | Very low | 36.2 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -19.2 | 174.4 | -171.1 | 0 | 0 | 0 | 0 | 114.1 | M565 N567 | M565-S569 VanDerWaalsContact O-CB 3.32Å; M565-S569 WeakPolarHBondContact O-CB 3.29Å; M565-S569 PolarHBondContact O-N 3.27Å; N567-S569 PolarHBondContact O-N 2.91Å |
| 570 | R | 40 | Very low | 36 | Very low | 215 Ų | 215 | 133.5 Ų | 133.5 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -12.1 | 177.4 | -75.5 | 178.7 | 164.8 | 174.6 | -5.1 | 114.3 | N567 Y568 | N567-R570 WeakPolarHBondContact O-CB 3.04Å; N567-R570 PolarHBondContact O-N 3.17Å; Y568-R570 PolarHBondContact O-N 2.96Å |
| 571 | Q | 38.2 | Very low | 36.1 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 76% | 0.757 | 65% | 0.645 | S | S | * | * | trans | -116.7 | 11.4 | -165.9 | -142.3 | 173.7 | 3.5 | 0 | 0 | 115.5 | N567 Y568 G573 | N567-Q571 PolarHBondContact O-N 3.06Å; Y568-Q571 PolarHBondContact O-N 3.49Å; Q571-G573 PolarHBondContact O-N 3.19Å | ||
| 572 | R | 36.8 | Very low | 36.3 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 77% | 0.774 | 65% | 0.651 | S | S | * | * | trans | -73 | 59.4 | 161 | -81.5 | -174.1 | 167.1 | 169 | -2.5 | 110.6 | R487 | R487-R572 PolarHBondContact NH2-O 2.94Š| ||
| 573 | G | 32.5 | Very low | 36.3 | Very low | 42 Ų | 42 | 138.8 Ų | 138.8 | 43% | 0.433 | 67% | 0.667 | S | S | . | * | trans | -92.2 | -38.5 | -167 | 0 | 0 | 0 | 0 | 0 | 114.3 | R487 Q571 | R487-G573 WeakPolarHBondContact CD-O 3.27Å; R487-G573 WeakPolarHBondContact CG-O 3.26Å; R487-G573 VanDerWaalsContact CZ-O 3.27Å; R487-G573 PolarHBondContact NE-O 2.92Å; R487-G573 PolarHBondContact NH2-O 2.74Å; Q571-G573 PolarHBondContact O-N 3.19Å | ||
| 574 | D | 31.6 | Very low | 35.6 | Very low | 63 Ų | 63 | 141.5 Ų | 141.5 | 34% | 0.337 | 68% | 0.683 | S | S | . | * | trans | -149.9 | 146.9 | 165.9 | -110.9 | -44.9 | 0 | 0 | 0 | 110.8 | R487 | R487-D574 WeakPolarHBondContact CD-OD1 3.48Å; R487-D574 WeakPolarHBondContact CG-OD1 3.39Å; R487-D574 WeakPolarHBondContact CG-OD2 3.26Å; R487-D574 VanDerWaalsContact CZ-CA 3.49Å; R487-D574 IonicContact CZ-OD1 3.38Å; R487-D574 IonicContact NE-OD1 2.69Å; R487-D574 IonicContact NH1-OD1 3.3Å | ||
| 575 | I | 32.8 | Very low | 35.4 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -149.3 | 84.6 | 170 | -54.3 | -177.8 | 0 | 0 | 0 | 107.4 | ||||
| 576 | R | 32.6 | Very low | 35.4 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -139.7 | 163.2 | 148.9 | -83.7 | -177.7 | -74 | -164.2 | -0.2 | 104.8 | ||||
| 577 | D | 35.7 | Very low | 35.4 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | 67.4 | 76.3 | -179.1 | -40.5 | -27 | 0 | 0 | 0 | 113.4 | ||||
| 578 | L | 35.6 | Very low | 35.1 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -147.8 | 118.8 | 158.4 | -115.8 | 161.4 | 0 | 0 | 0 | 107.9 | ||||
| 579 | D | 33 | Very low | 35 | Very low | 127 Ų | 127 | 148 Ų | 148 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | trans | -80.1 | 154.6 | -174.5 | -174 | 19.9 | 0 | 0 | 0 | 111.9 | S581 | D579-S581 PolarHBondContact OD1-N 3.3Å; D579-S581 VanDerWaalsContact OD2-CB 3.28Å; D579-S581 WeakPolarHBondContact OD2-CB 3.27Å; D579-S581 PolarHBondContact OD2-OG 3.03Å | ||
| 580 | W | 31.8 | Very low | 34.8 | Very low | 237 Ų | 237 | 149.1 Ų | 149.1 | 90% | 0.898 | 73% | 0.73 | S | S | * | * | trans | -116.7 | 18.4 | -175.9 | -76 | 95.5 | 0 | 0 | 0 | 113.1 | I582 | W580-I582 VanDerWaalsContact C-N 3.29Å; W580-I582 PolarHBondContact O-N 3.49Å | ||
| 581 | S | 35 | Very low | 34.5 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | trans | -78.3 | 5.6 | -173.2 | 59.7 | 0 | 0 | 0 | 0 | 116.4 | D579 | D579-S581 PolarHBondContact OD1-N 3.3Å; D579-S581 VanDerWaalsContact OD2-CB 3.28Å; D579-S581 WeakPolarHBondContact OD2-CB 3.27Å; D579-S581 PolarHBondContact OD2-OG 3.03Å | ||
| 582 | I | 36.4 | Very low | 34.3 | Very low | 145 Ų | 145 | 147 Ų | 147 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | trans | -124.8 | 144.8 | -173.2 | -51.9 | -179.4 | 0 | 0 | 0 | 110.4 | W580 | W580-I582 VanDerWaalsContact C-N 3.29Å; W580-I582 PolarHBondContact O-N 3.49Å | ||
| 583 | I | 36.2 | Very low | 34.1 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | trans | 82.1 | 67 | -171.4 | -43.6 | 174.4 | 0 | 0 | 0 | 113.1 | ||||
| 584 | N | 32.5 | Very low | 34.1 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -146.5 | 152 | 148.8 | -107.6 | -20.4 | 0 | 0 | 0 | 107.4 | ||||
| 585 | N | 33.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 66.2 | 141.6 | -168.7 | -46.3 | -1.7 | 0 | 0 | 0 | 111.9 | ||||
| 586 | D | 35.8 | Very low | 34.1 | Very low | 153 Ų | 153 | 152 Ų | 152 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -130.7 | 179.8 | 9.8 | -63.2 | -55.8 | 0 | 0 | 0 | 110.5 | ||||
| 587 | D | 37.7 | Very low | 34 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | -164.8 | 171.4 | -52.5 | -164.2 | -1.2 | 0 | 0 | 0 | 106.4 | |||||
| 588 | N | 32.4 | Very low | 33.9 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | -55.2 | 146.2 | -174.7 | -70.9 | -93.7 | 0 | 0 | 0 | 115.6 | ||||
| 589 | K | 35.1 | Very low | 33.8 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | -155 | 143.6 | 128.9 | -112.6 | 150.3 | -168.6 | 166.7 | 0 | 113.6 | |||||
| 590 | N | 35.6 | Very low | 33.6 | Very low | 130 Ų | 130 | 152 Ų | 152 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -110.7 | 160.6 | -170.8 | -83.7 | -53.7 | 0 | 0 | 0 | 112.7 | ||||
| 591 | N | 33.9 | Very low | 33.5 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 81 | 138.4 | 145.9 | -79.3 | -34.5 | 0 | 0 | 0 | 122.5 | ||||
| 592 | K | 34 | Very low | 33.4 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 76.7 | 104.8 | 146.8 | -74.7 | 177 | 179 | -177.9 | 0 | 121.2 | ||||
| 593 | S | 33.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 156.8 Ų | 156.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | 96.2 | 123.7 | 115.8 | -153.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 594 | S | 31.9 | Very low | 32.6 | Very low | 91 Ų | 91 | 156.7 Ų | 156.7 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | 65.4 | 109.3 | 135.7 | -176.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 595 | K | 31.6 | Very low | 32.6 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | 75.5 | 130.5 | 136.5 | -73 | -178.4 | 176.3 | 178.6 | 0 | 121.9 | ||||
| 596 | H | 33.6 | Very low | 32.5 | Very low | 153 Ų | 153 | 154.5 Ų | 154.5 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | trans | 81 | 108.4 | 140.2 | -89 | -102.9 | 0 | 0 | 0 | 123.2 | ||||
| 597 | K | 30.8 | Very low | 32.2 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 74% | 0.735 | 77% | 0.766 | S | S | * | * | trans | 53.6 | 133.1 | 130.8 | -76.4 | -168.4 | 173.6 | -175.3 | 0 | 122.2 | ||||
| 598 | T | 33.3 | Very low | 32 | Very low | 130 Ų | 130 | 153.7 Ų | 153.7 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | trans | 63.1 | 140.1 | 146.8 | 49.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 599 | D | 33.5 | Very low | 32 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | cis | -152.1 | -165.5 | 6.3 | -149.7 | -39.5 | 0 | 0 | 0 | 110.6 | ||||
| 600 | K | 29.2 | Very low | 31.8 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -92.6 | 141.7 | -174.2 | -56 | 158.1 | -179.3 | 162.9 | 0 | 114.5 | ||||
| 601 | R | 29.2 | Very low | 31.7 | Very low | 239 Ų | 239 | 149.9 Ų | 149.9 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | -165.1 | -177.5 | 127.4 | -122.6 | 175.9 | 170.2 | 141 | -3 | 115.5 | |||||
| 602 | S | 31.8 | Very low | 31.6 | Very low | 94 Ų | 94 | 151 Ų | 151 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -43.2 | 143.2 | 177.8 | 31.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 603 | R | 26.5 | Very low | 31.4 | Very low | 237 Ų | 237 | 152 Ų | 152 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | 79.6 | 144.3 | 50.2 | -164.8 | -172 | -160.7 | -173.7 | 7.6 | 111.4 | |||||
| 604 | E | 30.6 | Very low | 31.5 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 89.8 | 147 | -167.3 | -56.6 | -157.3 | 115.8 | 0 | 0 | 112.8 | ||||
| 605 | Q | 31.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -157.8 | 161.2 | -1.4 | -126.7 | 171 | 43.7 | 0 | 0 | 111.3 | ||||
| 606 | S | 32.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 66.9 | 166.4 | 163.9 | 82.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 607 | L | 29.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | cis | -141.1 | 165.1 | 2.7 | -164 | 63.4 | 0 | 0 | 0 | 112 | ||||
| 608 | T | 32.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 158.3 Ų | 158.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -45 | 159.6 | 177.4 | 62.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 609 | S | 33.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 160.3 Ų | 160.3 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -160.3 | -168 | 37.8 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 610 | L | 31 | Very low | 31.3 | Very low | 146 Ų | 146 | 162.4 Ų | 162.4 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | cis | -143.4 | -130.8 | 4.9 | -164.3 | 57 | 0 | 0 | 0 | 111.2 | ||||
| 611 | N | 31.9 | Very low | 31.5 | Very low | 135 Ų | 135 | 162 Ų | 162 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -151.8 | 138 | -166.4 | -63.4 | -79.1 | 0 | 0 | 0 | 115 | ||||
| 612 | H | 32.8 | Very low | 31.4 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | -169.9 | 124 | 124.9 | -140.3 | -88.3 | 0 | 0 | 0 | 109.1 | |||||
| 613 | R | 30.4 | Very low | 31.3 | Very low | 212 Ų | 212 | 160.8 Ų | 160.8 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | cis | 102.4 | 142.9 | 20.9 | -157.7 | 178.5 | -162 | -143.4 | 6.6 | 113.2 | ||||
| 614 | I | 34 | Very low | 31.5 | Very low | 158 Ų | 158 | 160.5 Ų | 160.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 90.9 | 128.5 | -158.3 | -57 | 158.8 | 0 | 0 | 0 | 110.3 | ||||
| 615 | G | 32.8 | Very low | 31.6 | Very low | 65 Ų | 65 | 157.9 Ų | 157.9 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 136.3 | 137.2 | 7.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 616 | Y | 32.2 | Very low | 31.5 | Very low | 227 Ų | 227 | 159.7 Ų | 159.7 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | cis | -151 | 158.3 | 11 | -136.2 | -98 | 0 | 0 | 0 | 111 | ||||
| 617 | L | 29.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 159.2 Ų | 159.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -92.8 | 146.5 | 173.6 | -80.6 | 156.4 | 0 | 0 | 0 | 112.2 | ||||
| 618 | R | 31.2 | Very low | 31.4 | Very low | 241 Ų | 241 | 159.7 Ų | 159.7 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -163.2 | 117.5 | 138.8 | -114.9 | 170.9 | -162.7 | -165.2 | 4.6 | 115.6 | ||||
| 619 | H | 30.8 | Very low | 31.1 | Very low | 173 Ų | 173 | 160.3 Ų | 160.3 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | -69 | 152.6 | 149.6 | -85.1 | -115.1 | 0 | 0 | 0 | 110.4 | ||||
| 620 | K | 33.9 | Very low | 30.9 | Very low | 188 Ų | 188 | 164 Ų | 164 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | 179.8 | 145 | 111.6 | -99.2 | 170.9 | -178.4 | 176 | 0 | 113.8 | |||||
| 621 | K | 33 | Very low | 30.7 | Very low | 180 Ų | 180 | 161.6 Ų | 161.6 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 37.3 | 121.4 | 145.1 | -64.3 | -176.8 | 177.7 | -174.4 | 0 | 119.4 | ||||
| 622 | L | 28.9 | Very low | 30.7 | Very low | 141 Ų | 141 | 160.2 Ų | 160.2 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 88.8 | 130.1 | 60.8 | -104.3 | 77.7 | 0 | 0 | 0 | 115.8 | |||||
| 623 | K | 29.8 | Very low | 30.7 | Very low | 165 Ų | 165 | 158.9 Ų | 158.9 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | 73.7 | 135.8 | 147.2 | -74.7 | -179.5 | 177.1 | 177.2 | 0 | 121 | ||||
| 624 | R | 30.5 | Very low | 30.7 | Very low | 231 Ų | 231 | 155.7 Ų | 155.7 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 70.1 | 159.1 | 146.7 | -74.1 | 174.7 | 174.5 | 178.2 | -4.9 | 116.9 | ||||
| 625 | S | 30.9 | Very low | 30.7 | Very low | 106 Ų | 106 | 152.7 Ų | 152.7 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | cis | -160.9 | 166.8 | -27.1 | -171 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 626 | K | 31.1 | Very low | 30.7 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | trans | -46.8 | 145.9 | 179.8 | -56.4 | 172.9 | 171.6 | 179.9 | 0 | 117.3 | ||||
| 627 | S | 27.3 | Very low | 30.8 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | 75.2 | 163.8 | 127.8 | 66.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 628 | Q | 32.4 | Very low | 31 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | 83.1 | 145.3 | 177.5 | -50.2 | -64 | 6 | 0 | 0 | 116.2 | ||||
| 629 | L | 26.4 | Very low | 30.9 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | cis | 163.6 | 147.5 | -46.2 | 171 | 130.1 | 0 | 0 | 0 | 108.4 | ||||
| 630 | K | 27.7 | Very low | 30.8 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | 68.9 | 118.5 | 177.9 | -83.6 | 178.9 | 179.8 | -174.4 | 0 | 114.3 | ||||
| 631 | S | 28.5 | Very low | 30.6 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | 96 | 161.1 | 75.4 | 82.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 632 | T | 30.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 137 Ų | 137 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | cis | -160.3 | 175.4 | 21.8 | -21.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 633 | N | 33 | Very low | 30.4 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | 71.9 | 149.9 | 152.1 | -66.7 | -0.4 | 0 | 0 | 0 | 118.9 | ||||
| 634 | L | 31.2 | Very low | 30.5 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | cis | -163.3 | -173.5 | -24.3 | -151.5 | 80.5 | 0 | 0 | 0 | 108.7 | ||||
| 635 | S | 33.8 | Very low | 30.5 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | trans | 72.7 | 114 | 171.1 | -71.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 636 | N | 32.5 | Very low | 30.6 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | 84.9 | 140.7 | 67.1 | -76.2 | 41.5 | 0 | 0 | 0 | 110.8 | |||||
| 637 | D | 34.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | cis | -156.4 | 162.8 | 9 | -129.3 | -33 | 0 | 0 | 0 | 112.9 | ||||
| 638 | N | 33.7 | Very low | 31 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | trans | 59 | 127.9 | 146.6 | -76.7 | -46 | 0 | 0 | 0 | 120.6 | ||||
| 639 | K | 28.9 | Very low | 30.9 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | 67 | 139 | 83.2 | -91.8 | -168.4 | 179.1 | 179.4 | 0 | 113.3 | |||||
| 640 | I | 28.6 | Very low | 31.2 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 65% | 0.646 | 69% | 0.693 | S | S | * | * | cis | -167.3 | 170.7 | -2.5 | -147.6 | 179.7 | 0 | 0 | 0 | 110.2 | ||||
| 641 | N | 29.5 | Very low | 31.5 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 60% | 0.599 | 69% | 0.688 | S | S | * | * | trans | 71.3 | 143.8 | 150.1 | -85.5 | 36.4 | 0 | 0 | 0 | 124 | ||||
| 642 | D | 29.9 | Very low | 31.4 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 65% | 0.647 | 70% | 0.697 | S | S | * | * | 73.6 | 150.1 | 128.8 | -64.6 | -1 | 0 | 0 | 0 | 122.9 | |||||
| 643 | I | 28.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 126 Ų | 126 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | cis | -163 | 163.5 | -20.6 | -116.2 | 168.3 | 0 | 0 | 0 | 108.9 | ||||
| 644 | H | 31.6 | Very low | 31.6 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | trans | 62.4 | 163.6 | 174.6 | -66.6 | -38.8 | 0 | 0 | 0 | 115.2 | ||||
| 645 | G | 30.4 | Very low | 31.6 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | cis | 145.9 | 158.1 | 7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 646 | N | 33.8 | Very low | 31.6 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | cis | -161.7 | 179.1 | 7.3 | -101.6 | -3.4 | 0 | 0 | 0 | 109.3 | ||||
| 647 | N | 35.4 | Very low | 31.6 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | 70.7 | 107 | 156.6 | -62.6 | -7.5 | 0 | 0 | 0 | 117.3 | ||||
| 648 | S | 31.7 | Very low | 31.7 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | 95.6 | 151.8 | 76.2 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 649 | L | 30 | Very low | 31.8 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 73% | 0.728 | 70% | 0.697 | S | S | * | * | cis | -170.1 | 129.3 | 42.2 | -176.2 | 68.1 | 0 | 0 | 0 | 113 | ||||
| 650 | L | 32.1 | Very low | 32.1 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | trans | 59 | 156.6 | 156.9 | -59.1 | 171.8 | 0 | 0 | 0 | 119.1 | ||||
| 651 | T | 33.7 | Very low | 32.3 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | cis | -159.1 | 131.6 | -4.5 | 16.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 652 | F | 27.2 | Very low | 32.3 | Very low | 195 Ų | 195 | 126 Ų | 126 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | 81.7 | 143.4 | 76.4 | -88 | -71.7 | 0 | 0 | 0 | 116.6 | |||||
| 653 | G | 34.7 | Very low | 32.3 | Very low | 61 Ų | 61 | 126.9 Ų | 126.9 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | trans | 97.1 | 109.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 654 | D | 31.6 | Very low | 32.4 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | cis | 72.8 | 133 | 30 | -40.7 | -53.8 | 0 | 0 | 0 | 112.7 | ||||
| 655 | S | 31.2 | Very low | 32.5 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | cis | -157.4 | 173.2 | -5.2 | -155.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 656 | E | 33.9 | Very low | 32.7 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | 61.2 | 154.4 | 148 | -80.6 | 142.4 | -122.4 | 0 | 0 | 120.4 | ||||
| 657 | D | 33.1 | Very low | 32.5 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | cis | -161.9 | 174.3 | -19.3 | -135.5 | -3.1 | 0 | 0 | 0 | 111 | ||||
| 658 | N | 35.9 | Very low | 32.5 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | trans | 67.2 | 146.8 | 156.7 | -64.6 | -32.9 | 0 | 0 | 0 | 118.9 | ||||
| 659 | D | 36.9 | Very low | 32.4 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 65% | 0.647 | 72% | 0.717 | S | S | * | * | cis | -158.5 | 165.5 | -7.8 | -138 | -11 | 0 | 0 | 0 | 114.2 | ||||
| 660 | N | 34.7 | Very low | 32.5 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 27.8 | 145.7 | 147 | -72.3 | -46.5 | 0 | 0 | 0 | 122.9 | ||||
| 661 | S | 33.2 | Very low | 32.4 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | cis | -159.1 | 148.8 | -1.1 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 662 | M | 28.2 | Very low | 32.3 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | 31.5 | 137 | 98.5 | -66.9 | 179.3 | 64.5 | 0 | 0 | 116.1 | |||||
| 663 | L | 31.6 | Very low | 32.5 | Very low | 140 Ų | 140 | 132 Ų | 132 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | cis | -151.2 | 164.3 | 43.3 | -169.8 | 61.6 | 0 | 0 | 0 | 115.6 | ||||
| 664 | K | 30.3 | Very low | 32.4 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | trans | -46.4 | 173.4 | 169.7 | -51.9 | 162.2 | -171.3 | 165.5 | 0 | 115.1 | ||||
| 665 | E | 32.5 | Very low | 32.7 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | cis | -131.7 | -160.5 | 16.8 | -112.2 | -50.5 | 103.1 | 0 | 0 | 109.3 | ||||
| 666 | T | 34.4 | Very low | 32.9 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | cis | -141.3 | -173.3 | 14.6 | -23.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 667 | K | 30.5 | Very low | 32.9 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | trans | -117.1 | 170.2 | -167.7 | -88.6 | -177.6 | 175.6 | 170.4 | 0 | 114.8 | ||||
| 668 | P | 35.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | -129.2 | -147.3 | -153.3 | 45.6 | -30.1 | 0 | 0 | 0 | 113.7 | ||||
| 669 | S | 29.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | 87.8 | 149.9 | 172.4 | -135 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 670 | S | 31.4 | Very low | 32.9 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -148.4 | 160.4 | 6.1 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 671 | K | 30.9 | Very low | 32.9 | Very low | 204 Ų | 204 | 150 Ų | 150 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | 144.7 | 69.7 | 156.6 | -82 | 169.7 | -180 | 173.5 | 0 | 113.8 | ||||
| 672 | L | 30.4 | Very low | 33 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 60% | 0.602 | 76% | 0.755 | S | S | * | * | trans | -150.6 | 56.4 | 169.4 | -160.7 | 75.3 | 0 | 0 | 0 | 114.9 | R675 | L672-R675 HydrophobicContact CD1-CB 4.33Š| ||
| 673 | H | 32 | Very low | 33.1 | Very low | 181 Ų | 181 | 159.3 Ų | 159.3 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -97.7 | -17.4 | -178.3 | -134.8 | -106 | 0 | 0 | 0 | 116.2 | ||
| 674 | F | 33.6 | Very low | 33.1 | Very low | 192 Ų | 192 | 156 Ų | 156 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -83.8 | -36.3 | -179.1 | -156.3 | -111.2 | 0 | 0 | 0 | 113.8 | K676 | F674-K676 VanDerWaalsContact C-N 3.28Å; F674-K676 PolarHBondContact O-N 2.98Å; F674-K676 VanDerWaalsContact O-N 3.16Å |
| 675 | R | 36.8 | Very low | 33.3 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -3.3 | -172.5 | -103.9 | -179.4 | 174.2 | 179.2 | -0.6 | 116.1 | L672 | L672-R675 HydrophobicContact CD1-CB 4.33Š|
| 676 | K | 35 | Very low | 33.3 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -23.2 | -177.8 | -75.9 | -176.8 | 177.6 | 177 | 0 | 114.9 | F674 K679 | F674-K676 VanDerWaalsContact C-N 3.28Å; F674-K676 PolarHBondContact O-N 2.98Å; F674-K676 VanDerWaalsContact O-N 3.16Å; K676-K679 PolarHBondContact O-N 3.31Å |
| 677 | K | 34.2 | Very low | 33.4 | Very low | 187 Ų | 187 | 160.6 Ų | 160.6 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -73.2 | -34.2 | -172.4 | -140.6 | 170.9 | -174.4 | 178.7 | 0 | 113.7 | ||
| 678 | I | 38.1 | Very low | 34.2 | Very low | 143 Ų | 143 | 157.2 Ų | 157.2 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -74.9 | -25.1 | 178.1 | -62.5 | 173.9 | 0 | 0 | 0 | 112.4 | K680 | I678-K680 PolarHBondContact O-N 3.15Š|
| 679 | K | 35.2 | Very low | 34.5 | Very low | 158 Ų | 158 | 157.2 Ų | 157.2 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -79.4 | 10.6 | 178.4 | -89.2 | -169.8 | 173.6 | -174.3 | 0 | 114.9 | K676 R683 | K676-K679 PolarHBondContact O-N 3.31Å; K679-R683 PolarHBondContact O-NH2 3.39Å |
| 680 | K | 32.8 | Very low | 35.1 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -103.4 | -20.4 | 173.2 | -89.3 | -167.8 | 170.4 | -171.9 | 0 | 114.6 | I678 W682 | I678-K680 PolarHBondContact O-N 3.15Å; K680-W682 PolarHBondContact O-N 2.91Å |
| 681 | T | 34.5 | Very low | 35.4 | Very low | 118 Ų | 118 | 158.1 Ų | 158.1 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 5.7 | -173.3 | -5.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 682 | W | 34.9 | Very low | 36.1 | Very low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.924 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | 24 | -177.4 | -100.3 | 76.2 | 0 | 0 | 0 | 113.7 | K680 | K680-W682 PolarHBondContact O-N 2.91Š|
| 683 | R | 31.4 | Very low | 36.5 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -119.4 | 81.8 | 170.1 | -87.1 | 179.7 | -82 | -160.3 | -4.4 | 109.2 | K679 | K679-R683 PolarHBondContact O-NH2 3.39Š| ||
| 684 | G | 31 | Very low | 36.6 | Very low | 70 Ų | 70 | 154.3 Ų | 154.3 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | -154.7 | 10.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 685 | T | 35.9 | Very low | 36.8 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -150.9 | 151.2 | 174.6 | 22.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 686 | C | 32.1 | Very low | 37.2 | Very low | 115 Ų | 115 | 141 Ų | 141 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | trans | 59.3 | 85.1 | 176.2 | -56.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 687 | R | 36.7 | Very low | 37.3 | Very low | 257 Ų | 257 | 137.9 Ų | 137.9 | 97% | 0.97 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 121.4 | 151.7 | -76.3 | -179.8 | 172.3 | 177.4 | -3.3 | 108.2 | ||
| 688 | L | 45.8 | Very low | 37.4 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 153.3 | 160.2 | -83 | 78.5 | 0 | 0 | 0 | 109.5 | E692 | L688-E692 WeakPolarHBondContact CA-OE2 3.35Å; L688-E692 HydrophobicContact CB-CB 4.19Å; L688-E692 WeakPolarHBondContact CB-OE2 3.37Å; L688-E692 HydrophobicContact CD2-CB 4.07Å |
| 689 | N | 42.1 | Very low | 37.1 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 166.2 | -171.2 | -155.3 | -4 | 0 | 0 | 0 | 112.6 | H691 E692 K693 | N689-H691 VanDerWaalsContact C-N 3.26Å; N689-H691 PolarHBondContact O-N 3.31Å; N689-E692 PolarHBondContact N-OE2 2.92Å; N689-E692 WeakPolarHBondContact O-CB 3.43Å; N689-E692 PolarHBondContact O-N 3.12Å; N689-K693 PolarHBondContact O-N 3.31Å |
| 690 | S | 43.1 | Very low | 37 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -31.7 | -171.3 | -155.6 | 0 | 0 | 0 | 0 | 113.8 | K693 R694 | S690-K693 CarbonylContact O-C 2.99Å; S690-K693 WeakPolarHBondContact O-CA 3.13Å; S690-K693 WeakPolarHBondContact O-CB 3.46Å; S690-K693 PolarHBondContact O-N 3.26Å; S690-R694 PolarHBondContact O-N 2.99Å; S690-R694 VanDerWaalsContact O-N 3.1Å |
| 691 | H | 37.9 | Very low | 37 | Very low | 145 Ų | 145 | 127 Ų | 127 | 67% | 0.671 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -26.5 | 176.8 | -161.5 | -47.5 | 0 | 0 | 0 | 113.1 | N689 R694 | N689-H691 VanDerWaalsContact C-N 3.26Å; N689-H691 PolarHBondContact O-N 3.31Å; H691-R694 VanDerWaalsContact C-N 3.29Å; H691-R694 CarbonylContact O-C 3.45Å; H691-R694 WeakPolarHBondContact O-CA 3.49Å; H691-R694 PolarHBondContact O-N 3.46Å |
| 692 | E | 44.2 | Very low | 36.7 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 44% | 0.444 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -73.4 | -37.6 | 169.6 | -60 | 172.9 | 112.2 | 0 | 0 | 109.2 | L688 N689 R694 I695 V696 | L688-E692 WeakPolarHBondContact CA-OE2 3.35Å; L688-E692 HydrophobicContact CB-CB 4.19Å; L688-E692 WeakPolarHBondContact CB-OE2 3.37Å; L688-E692 HydrophobicContact CD2-CB 4.07Å; N689-E692 PolarHBondContact N-OE2 2.92Å; N689-E692 WeakPolarHBondContact O-CB 3.43Å; N689-E692 PolarHBondContact O-N 3.12Å; E692-R694 PolarHBondContact O-N 3.17Å; E692-I695 CarbonylContact O-C 3.55Å; E692-I695 PolarHBondContact O-N 3.06Å; E692-V696 VanDerWaalsContact O-CG2 3.3Å; E692-V696 WeakPolarHBondContact O-CG2 3.17Å |
| 693 | K | 39.6 | Very low | 36.3 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -69.1 | 19.6 | 157.5 | -76.3 | -171.2 | 173.4 | -171.1 | 0 | 114.2 | N689 S690 I925 | N689-K693 PolarHBondContact O-N 3.31Å; S690-K693 CarbonylContact O-C 2.99Å; S690-K693 WeakPolarHBondContact O-CA 3.13Å; S690-K693 WeakPolarHBondContact O-CB 3.46Å; S690-K693 PolarHBondContact O-N 3.26Å; K693-I925 WeakPolarHBondContact O-CD1 3.42Å |
| 694 | R | 35 | Very low | 36.1 | Very low | 180 Ų | 180 | 117.3 Ų | 117.3 | 68% | 0.679 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -122.7 | 23.4 | 155.5 | -73.8 | -151.6 | -171 | 168.9 | 5 | 113.4 | S690 H691 E692 I925 | S690-R694 PolarHBondContact O-N 2.99Å; S690-R694 VanDerWaalsContact O-N 3.1Å; H691-R694 VanDerWaalsContact C-N 3.29Å; H691-R694 CarbonylContact O-C 3.45Å; H691-R694 WeakPolarHBondContact O-CA 3.49Å; H691-R694 PolarHBondContact O-N 3.46Å; E692-R694 PolarHBondContact O-N 3.17Å; R694-I925 HydrophobicContact CB-CD1 4.48Å; R694-I925 HydrophobicContact CB-CG2 3.96Å; R694-I925 HydrophobicContact CG-CD1 4.34Å; R694-I925 HydrophobicContact CG-CG2 4.38Å; R694-I925 WeakPolarHBondContact O-CG2 3.45Å |
| 695 | I | 37.8 | Very low | 35.8 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 37% | 0.374 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -136.2 | 52.5 | 166.5 | -46.8 | 178.1 | 0 | 0 | 0 | 106.9 | E692 T922 M923 P924 | E692-I695 CarbonylContact O-C 3.55Å; E692-I695 PolarHBondContact O-N 3.06Å; I695-T922 HydrophobicContact CG2-CG2 4.03Å; I695-M923 CarbonylContact C-O 3.22Å; I695-M923 WeakPolarHBondContact CG2-O 3.32Å; I695-M923 CarbonylContact O-C 3.42Å; I695-P924 CarbonylContact C-O 3.56Å; I695-P924 WeakPolarHBondContact CA-O 3.37Å; I695-P924 VanDerWaalsContact CG2-O 3.28Å; I695-P924 WeakPolarHBondContact CG2-O 3.35Å |
| 696 | V | 43.1 | Very low | 35.5 | Very low | 48 Ų | 48 | 120.9 Ų | 120.9 | 29% | 0.291 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -141.5 | 4.3 | -170.3 | 175.7 | 0 | 0 | 0 | 0 | 120.5 | E692 M923 P924 | E692-V696 VanDerWaalsContact O-CG2 3.3Å; E692-V696 WeakPolarHBondContact O-CG2 3.17Å; V696-M923 HydrophobicContact CB-CB 4.39Å; V696-M923 HydrophobicContact CG1-CE 4.08Å; V696-M923 HydrophobicContact CG1-SD 4.43Å; V696-M923 HydrophobicContact CG2-CB 4Å; V696-P924 VanDerWaalsContact C-CA 3.46Å; V696-P924 VanDerWaalsContact CA-CD 3.49Å; V696-P924 PolarHBondContact N-O 2.77Å; V696-P924 WeakPolarHBondContact O-CD 3.1Å; V696-P924 WeakPolarHBondContact O-CG 3.33Å |
| 697 | N | 37.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 44% | 0.439 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -135.2 | -64.4 | -178.1 | -54.9 | -15.6 | 0 | 0 | 0 | 120.6 | Y700 P924 I925 V926 | N697-Y700 WeakPolarHBondContact O-CB 3.17Å; N697-Y700 PolarHBondContact O-N 2.75Å; N697-Y700 VanDerWaalsContact O-N 3.09Å; N697-P924 WeakPolarHBondContact O-CB 3.47Å; N697-P924 WeakPolarHBondContact O-CG 3.23Å; N697-I925 HydrophobicContact CB-CB 4.27Å; N697-I925 HydrophobicContact CB-CD1 4.47Å; N697-I925 HydrophobicContact CB-CG1 3.42Å; N697-I925 VanDerWaalsContact CB-CG1 3.42Å; N697-I925 VanDerWaalsContact CG-CG1 3.42Å; N697-I925 VanDerWaalsContact N-CG1 3.31Å; N697-I925 WeakPolarHBondContact ND2-CG1 3.44Å; N697-V926 WeakPolarHBondContact CB-O 3.22Å; N697-V926 PolarHBondContact ND2-O 3.43Å |
| 698 | D | 35.9 | Very low | 34.9 | Very low | 54 Ų | 54 | 116.3 Ų | 116.3 | 29% | 0.289 | 61% | 0.614 | S | S | . | * | G | 310 helix | 32.2 | -125.2 | 127.7 | 168 | 126.1 | 0 | 0 | 0 | 120.3 | Y700 L701 I925 V926 | D698-Y700 CarbonylContact O-C 2.86Å; D698-Y700 PolarHBondContact O-N 2.85Å; D698-L701 HydrophobicContact CB-CD1 3.97Å; D698-L701 WeakPolarHBondContact O-CA 3.47Å; D698-L701 VanDerWaalsContact O-CB 3.22Å; D698-L701 WeakPolarHBondContact O-CB 3.38Å; D698-L701 PolarHBondContact O-N 2.92Å; D698-I925 VanDerWaalsContact CB-C 3.49Å; D698-I925 WeakPolarHBondContact CB-O 3.17Å; D698-V926 HydrophobicContact CB-CG2 3.89Å | |
| 699 | L | 32.5 | Very low | 34 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 45% | 0.45 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -38.9 | 14.7 | 161 | -43.8 | 86.2 | 0 | 0 | 0 | 117.8 | P924 | L699-P924 VanDerWaalsContact CA-CB 3.42Å; L699-P924 HydrophobicContact CB-CB 3.69Å; L699-P924 HydrophobicContact CB-CG 4.5Å; L699-P924 HydrophobicContact CD1-CB 3.96Å; L699-P924 WeakPolarHBondContact CD1-O 3.41Å; L699-P924 HydrophobicContact CG-CB 4.41Å |
| 700 | Y | 32 | Very low | 33.2 | Very low | 170 Ų | 170 | 121 Ų | 121 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -103.7 | -27.6 | 158.7 | -114.8 | -127.2 | 0 | 0 | 0 | 111.1 | N697 D698 F702 M923 P924 | N697-Y700 WeakPolarHBondContact O-CB 3.17Å; N697-Y700 PolarHBondContact O-N 2.75Å; N697-Y700 VanDerWaalsContact O-N 3.09Å; D698-Y700 CarbonylContact O-C 2.86Å; D698-Y700 PolarHBondContact O-N 2.85Å; Y700-F702 PolarHBondContact O-N 3.4Å; Y700-M923 HydrophobicContact CE2-CG 4.45Å; Y700-M923 HydrophobicContact CE2-SD 4.05Å; Y700-P924 HydrophobicContact CD2-CG 3.75Å; Y700-P924 HydrophobicContact CG-CG 4.05Å; Y700-P924 VanDerWaalsContact N-CG 3.28Å |
| 701 | L | 32.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 68% | 0.681 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -59.6 | -16.2 | 164.3 | -73.7 | 128.4 | 0 | 0 | 0 | 112.5 | D698 S703 V926 | D698-L701 HydrophobicContact CB-CD1 3.97Å; D698-L701 WeakPolarHBondContact O-CA 3.47Å; D698-L701 VanDerWaalsContact O-CB 3.22Å; D698-L701 WeakPolarHBondContact O-CB 3.38Å; D698-L701 PolarHBondContact O-N 2.92Å; L701-S703 PolarHBondContact O-N 3.35Å; L701-V926 HydrophobicContact CD1-CG2 4.43Å |
| 702 | F | 30 | Very low | 32.1 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 76% | 0.763 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -96.2 | 57.6 | 172.1 | -76.4 | -78.6 | 0 | 0 | 0 | 113 | Y700 | Y700-F702 PolarHBondContact O-N 3.4Š|
| 703 | S | 26.4 | Very low | 31.6 | Very low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | trans | -151.8 | 78.6 | 177.3 | -178 | 0 | 0 | 0 | 0 | 115.5 | L701 | L701-S703 PolarHBondContact O-N 3.35Š| ||
| 704 | A | 27.2 | Very low | 31.1 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | trans | -146.4 | 148.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 705 | D | 23.9 | Very low | 30.9 | Very low | 172 Ų | 172 | 109.1 Ų | 109.1 | 92% | 0.92 | 61% | 0.607 | S | S | * | * | cis | 71.4 | 47 | 21.7 | -70.9 | -13.8 | 0 | 0 | 0 | 116.1 | ||||
| 706 | S | 30.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | trans | -148.6 | 146.8 | 156.8 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 707 | L | 26.2 | Very low | 29.7 | Very low | 167 Ų | 167 | 119.5 Ų | 119.5 | 87% | 0.874 | 65% | 0.65 | S | S | * | * | trans | -93.6 | -178.5 | 175.2 | -82.3 | 90.5 | 0 | 0 | 0 | 110.3 | ||||
| 708 | P | 30.1 | Very low | 29 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | cis | -140.5 | 161.9 | 9.1 | 34.6 | -11.6 | 0 | 0 | 0 | 119.7 | ||||
| 709 | E | 26.3 | Very low | 28.8 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | 46.6 | 129.7 | 129.9 | -159.5 | 172 | 164.1 | 0 | 0 | 125.9 | |||||
| 710 | K | 25.6 | Very low | 28.5 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 78% | 0.778 | 70% | 0.704 | S | S | * | * | trans | 66.8 | 157.8 | 159.6 | -77.7 | 165.2 | -176.4 | 152.7 | 0 | 117.3 | ||||
| 711 | V | 29.4 | Very low | 28.5 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | cis | -128.3 | 178.2 | 3.5 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 712 | G | 27.7 | Very low | 28.3 | Very low | 49 Ų | 49 | 122.7 Ų | 122.7 | 51% | 0.505 | 71% | 0.711 | S | S | . | * | trans | -107.4 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 713 | P | 34.8 | Very low | 28.3 | Very low | 69 Ų | 69 | 120.1 Ų | 120.1 | 45% | 0.448 | 71% | 0.71 | S | S | . | * | trans | -135.4 | -179.8 | -158.9 | 41.1 | -22 | 0 | 0 | 0 | 117.7 | Q419 F420 N421 | Q419-P713 CarbonylContact C-O 3.29Å; Q419-P713 HydrophobicContact CB-CG 4Å; Q419-P713 VanDerWaalsContact O-O 3.12Å; F420-P713 WeakPolarHBondContact CA-O 3.32Å; F420-P713 PolarHBondContact N-O 3.04Å; N421-P713 PolarHBondContact N-O 3.23Å; N421-P713 VanDerWaalsContact N-O 3.1Å | ||
| 714 | N | 28.6 | Very low | 28.6 | Very low | 44 Ų | 44 | 121.5 Ų | 121.5 | 24% | 0.235 | 71% | 0.71 | C | S | . | * | trans | -168.1 | 155.9 | 163.3 | -158.5 | 9.3 | 0 | 0 | 0 | 118.4 | F420 N421 E422 | F420-N714 VanDerWaalsContact CA-CG 3.49Å; F420-N714 VanDerWaalsContact CA-OD1 3.23Å; F420-N714 WeakPolarHBondContact CA-OD1 3.41Å; F420-N714 WeakPolarHBondContact CB-OD1 3.19Å; F420-N714 WeakPolarHBondContact CD1-ND2 3.4Å; F420-N714 VanDerWaalsContact CD1-OD1 3.28Å; F420-N714 WeakPolarHBondContact CD1-OD1 3.37Å; F420-N714 WeakPolarHBondContact CD2-OD1 3.3Å; F420-N714 WeakPolarHBondContact CE2-OD1 3.43Å; F420-N714 WeakPolarHBondContact CG-OD1 3.44Å; N421-N714 VanDerWaalsContact C-ND2 3.31Å; N421-N714 WeakPolarHBondContact CA-ND2 3.25Å; N421-N714 VanDerWaalsContact N-CB 3.25Å; N421-N714 VanDerWaalsContact N-CG 3.26Å; N421-N714 PolarHBondContact N-ND2 2.66Å; N421-N714 WeakPolarHBondContact O-CB 3.41Å; E422-N714 PolarHBondContact N-ND2 3.46Å | ||
| 715 | V | 30.2 | Very low | 28.8 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 57% | 0.57 | 71% | 0.714 | S | S | * | * | 142.2 | 127.2 | 125.2 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 716 | Y | 25.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 121.1 Ų | 121.1 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | trans | -108.2 | 144.8 | 164.6 | -82.6 | -105.2 | 0 | 0 | 0 | 109.8 | F420 | F420-Y716 HydrophobicContact CD2-CD2 4.35Å; F420-Y716 HydrophobicContact CE2-CD2 4.1Å | ||
| 717 | L | 29.8 | Very low | 29.3 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 89% | 0.885 | 70% | 0.702 | S | S | * | * | trans | -150.1 | 151.5 | 157.8 | -116.7 | 168.9 | 0 | 0 | 0 | 110.6 | ||||
| 718 | S | 24.7 | Very low | 29.9 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | -120.6 | 143.4 | -171.7 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 719 | V | 30 | Very low | 30 | Very low | 148 Ų | 148 | 123.6 Ų | 123.6 | 90% | 0.897 | 70% | 0.702 | S | S | * | * | trans | -134.6 | 144 | 164.7 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 720 | S | 26.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | -136.1 | 137.7 | 172.5 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 721 | P | 31.8 | Very low | 30.7 | Very low | 122 Ų | 122 | 119 Ų | 119 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | trans | -118.2 | 151.3 | 166.1 | 36.3 | -25.9 | 0 | 0 | 0 | 112.9 | ||||
| 722 | T | 28.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 71% | 0.712 | 70% | 0.696 | S | S | * | * | trans | -126.8 | 166.2 | 175.9 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 723 | T | 30.4 | Very low | 31.1 | Very low | 120 Ų | 120 | 123 Ų | 123 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | 78.4 | 144.2 | 160.1 | 62.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 724 | N | 33.5 | Very low | 31 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 85.5 | 91.3 | 154.7 | -57.4 | -22.8 | 0 | 0 | 0 | 121.6 | ||||
| 725 | N | 30.9 | Very low | 31 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | 56.7 | 158.4 | 113.1 | -70.8 | -0.2 | 0 | 0 | 0 | 122.5 | |||||
| 726 | P | 35.3 | Very low | 31.1 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | -142.2 | 179 | -23.8 | 37.8 | -18.7 | 0 | 0 | 0 | 116.4 | ||||
| 727 | I | 30.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 71.6 | 143.5 | 143.2 | -84.9 | 162 | 0 | 0 | 0 | 119.9 | ||||
| 728 | P | 36.9 | Very low | 31.6 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | cis | -138.5 | 177.6 | -30.6 | 42.8 | -26.5 | 0 | 0 | 0 | 114.4 | ||||
| 729 | M | 32.5 | Very low | 31.9 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -169.3 | 159.2 | 136.7 | -102.1 | -75.7 | 173.8 | 0 | 0 | 110.7 | ||||
| 730 | L | 32.3 | Very low | 31.9 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 160.5 | -165 | -81.6 | 67.6 | 0 | 0 | 0 | 115.9 | ||||
| 731 | A | 35.5 | Very low | 32.2 | Very low | 72 Ų | 72 | 132 Ų | 132 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | cis | -170 | 157.4 | -15.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 732 | N | 32.7 | Very low | 32 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | 59.6 | 142.9 | 142.8 | -69.2 | -5.8 | 0 | 0 | 0 | 121.3 | ||||
| 733 | V | 31.7 | Very low | 32.1 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | cis | -158.9 | 144 | -8.2 | 104 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 734 | A | 32.3 | Very low | 32 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | trans | 40.6 | 158.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 735 | R | 29.8 | Very low | 32.1 | Very low | 214 Ų | 214 | 140.8 Ų | 140.8 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | cis | -170.6 | 164.1 | -19.6 | -106 | 172.1 | -166.8 | 174.7 | 4.2 | 109 | ||||
| 736 | R | 31.8 | Very low | 32.2 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | 65.3 | 90.8 | 152.3 | -71 | 169.8 | 178.6 | 177.8 | -3 | 121.2 | ||||
| 737 | S | 29.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | -9.7 | 173.3 | 116.3 | 62.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 738 | P | 37.1 | Very low | 32.2 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | -145 | 151.6 | -49.8 | 40.8 | -23.8 | 0 | 0 | 0 | 115.3 | ||||
| 739 | L | 31.3 | Very low | 31.8 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | trans | -177.6 | 168.8 | 162.6 | -88.9 | 128.9 | 0 | 0 | 0 | 107.8 | ||||
| 740 | A | 30 | Very low | 31.9 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | cis | -169.4 | 173.1 | -37.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 741 | S | 31.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 61.8 | 124.1 | 176.4 | 30 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 742 | K | 27.9 | Very low | 31.7 | Very low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | 62.2 | 111.3 | 78 | -80 | -172.4 | 173.9 | -178.2 | 0 | 115.2 | |||||
| 743 | F | 31.1 | Very low | 31.5 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | -175.8 | 170.4 | 114.7 | -110.2 | -82.7 | 0 | 0 | 0 | 112.7 | |||||
| 744 | H | 28.8 | Very low | 31.4 | Very low | 175 Ų | 175 | 148 Ų | 148 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -134.6 | 178.3 | 178.5 | -107.4 | -55.2 | 0 | 0 | 0 | 106.8 | ||||
| 745 | P | 36.1 | Very low | 31.4 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | cis | -138.8 | 165.6 | -32.4 | 39.2 | -23 | 0 | 0 | 0 | 115.2 | ||||
| 746 | Q | 32.4 | Very low | 31.5 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | 58.5 | 178.8 | 151.1 | -79.5 | -173.8 | -23.3 | 0 | 0 | 119.5 | ||||
| 747 | P | 36.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 145 Ų | 145 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | -126.9 | -148.8 | -56.6 | 37.9 | -19.9 | 0 | 0 | 0 | 112 | |||||
| 748 | L | 28.9 | Very low | 31.4 | Very low | 147 Ų | 147 | 148 Ų | 148 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 69.9 | 156.8 | 179.3 | -88.5 | 79.3 | 0 | 0 | 0 | 116 | ||||
| 749 | D | 29 | Very low | 31 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | cis | -164.2 | 157.1 | -31.9 | -130.6 | -10 | 0 | 0 | 0 | 108.8 | ||||
| 750 | L | 33.8 | Very low | 30.8 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | 173.6 | 166.3 | 148 | -99.8 | 159.8 | 0 | 0 | 0 | 113.5 | ||||
| 751 | S | 29.3 | Very low | 30.9 | Very low | 92 Ų | 92 | 154 Ų | 154 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -140.1 | 169.5 | -151.1 | 59.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 752 | F | 33.6 | Very low | 30.8 | Very low | 196 Ų | 196 | 152.7 Ų | 152.7 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 142.9 | 155.5 | 152.9 | -98.4 | -111 | 0 | 0 | 0 | 111.6 | ||||
| 753 | S | 29.3 | Very low | 31 | Very low | 94 Ų | 94 | 151.6 Ų | 151.6 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | 173.5 | 112.9 | -49.2 | -94.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 754 | R | 29.8 | Very low | 31.3 | Very low | 229 Ų | 229 | 147.8 Ų | 147.8 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | 173 | 125.4 | 158 | -97.4 | 160.4 | -169.2 | -166.3 | 4.1 | 107.2 | ||||
| 755 | Q | 31.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | 56.5 | 130.6 | 72.4 | -61.1 | -174.3 | -63.1 | 0 | 0 | 112.7 | |||||
| 756 | Q | 31.9 | Very low | 31.4 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 65% | 0.654 | 74% | 0.743 | S | S | * | * | cis | -163.2 | 170.3 | -5.9 | -127.8 | 157.2 | -95 | 0 | 0 | 107.1 | ||||
| 757 | Q | 30.4 | Very low | 31.5 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | cis | -143.1 | -101 | 7.3 | -169.2 | 158.9 | -61.8 | 0 | 0 | 112.2 | ||||
| 758 | Q | 27.9 | Very low | 31.4 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -148.5 | 139.5 | -173.8 | -66.9 | 157.7 | -71.6 | 0 | 0 | 112.2 | ||||
| 759 | Q | 29.7 | Very low | 31.5 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | trans | -158.3 | 145.4 | 149.8 | -118.6 | 170.3 | -3.5 | 0 | 0 | 110.2 | P761 | Q759-P761 WeakPolarHBondContact O-CD 3.44Š| ||
| 760 | H | 27.4 | Very low | 31.7 | Very low | 193 Ų | 193 | 138 Ų | 138 | 89% | 0.894 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -91 | 126.4 | -170.5 | -126.1 | -67 | 0 | 0 | 0 | 111.7 | ||
| 761 | P | 31.4 | Very low | 31.8 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -98 | 165.1 | 166.9 | -6.3 | 27.2 | 0 | 0 | 0 | 113.5 | Q759 | Q759-P761 WeakPolarHBondContact O-CD 3.44Š|
| 762 | S | 29.5 | Very low | 32.3 | Very low | 84 Ų | 84 | 134.8 Ų | 134.8 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 136.4 | -175.2 | 46.4 | 0 | 0 | 0 | 0 | 115 | D764 | S762-D764 PolarHBondContact O-N 2.86Š|
| 763 | H | 32.8 | Very low | 32.5 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 19.8 | -11 | 147.6 | -141.1 | -68.5 | 0 | 0 | 0 | 124.6 | ||
| 764 | D | 36.8 | Very low | 32.9 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 69% | 0.69 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -22.9 | -171.6 | -65.7 | -45.4 | 0 | 0 | 0 | 114.1 | S762 I766 E767 | S762-D764 PolarHBondContact O-N 2.86Å; D764-I766 PolarHBondContact O-N 3.27Å; D764-E767 PolarHBondContact O-N 3.39Å |
| 765 | D | 34.1 | Very low | 33.4 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 60% | 0.599 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.3 | -15.1 | -174.1 | -76.8 | -49.4 | 0 | 0 | 0 | 115.3 | E767 S768 | D765-E767 VanDerWaalsContact C-N 3.27Å; D765-E767 PolarHBondContact O-N 2.64Å; D765-S768 WeakPolarHBondContact O-CB 3.4Å; D765-S768 PolarHBondContact O-N 3.27Å |
| 766 | I | 33.3 | Very low | 33.9 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.6 | -29.7 | 178.5 | -62.4 | 178.6 | 0 | 0 | 0 | 111.3 | D764 | D764-I766 PolarHBondContact O-N 3.27Å |
| 767 | E | 33.9 | Very low | 34.2 | Very low | 155 Ų | 155 | 116 Ų | 116 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.2 | -27.1 | 179.6 | -159 | 166.6 | -146.1 | 0 | 0 | 112.3 | D764 D765 S769 A770 L771 | D764-E767 PolarHBondContact O-N 3.39Å; D765-E767 VanDerWaalsContact C-N 3.27Å; D765-E767 PolarHBondContact O-N 2.64Å; E767-S769 PolarHBondContact O-N 2.81Å; E767-A770 WeakPolarHBondContact O-CB 3.32Å; E767-A770 PolarHBondContact O-N 2.74Å; E767-L771 VanDerWaalsContact O-CD1 3.26Å; E767-L771 WeakPolarHBondContact O-CD1 3.29Å |
| 768 | S | 34.3 | Very low | 34.7 | Very low | 76 Ų | 76 | 116.4 Ų | 116.4 | 53% | 0.531 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.7 | -47.1 | 173.8 | -174 | 0 | 0 | 0 | 0 | 112 | D765 A770 L771 | D765-S768 WeakPolarHBondContact O-CB 3.4Å; D765-S768 PolarHBondContact O-N 3.27Å; S768-A770 PolarHBondContact O-N 2.97Å; S768-A770 VanDerWaalsContact O-N 3.16Å; S768-L771 PolarHBondContact O-N 3.44Å; S768-L771 VanDerWaalsContact O-N 3.12Å |
| 769 | S | 31.4 | Very low | 35.4 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 63% | 0.629 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -15.6 | 179.9 | -66.2 | 0 | 0 | 0 | 0 | 114.1 | E767 T772 | E767-S769 PolarHBondContact O-N 2.81Å; S769-T772 PolarHBondContact O-OG1 3.26Å |
| 770 | A | 33.2 | Very low | 36.1 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -78.5 | -30.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E767 S768 | E767-A770 WeakPolarHBondContact O-CB 3.32Å; E767-A770 PolarHBondContact O-N 2.74Å; S768-A770 PolarHBondContact O-N 2.97Å; S768-A770 VanDerWaalsContact O-N 3.16Å |
| 771 | L | 35.2 | Very low | 36.9 | Very low | 102 Ų | 102 | 110.1 Ų | 110.1 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -77.3 | -18.9 | -176.6 | -85.4 | 84.2 | 0 | 0 | 0 | 113.8 | E767 S768 H776 | E767-L771 VanDerWaalsContact O-CD1 3.26Å; E767-L771 WeakPolarHBondContact O-CD1 3.29Å; S768-L771 PolarHBondContact O-N 3.44Å; S768-L771 VanDerWaalsContact O-N 3.12Å; L771-H776 PolarHBondContact O-ND1 2.82Å |
| 772 | T | 40.2 | Very low | 37.5 | Very low | 91 Ų | 91 | 106.4 Ų | 106.4 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -2.6 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | S769 | S769-T772 PolarHBondContact O-OG1 3.26Š|
| 773 | S | 39.3 | Very low | 38.4 | Very low | 46 Ų | 46 | 108.9 Ų | 108.9 | 32% | 0.322 | 55% | 0.554 | S | S | . | * | trans | -52.2 | 132.3 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | N775 H776 L777 | S773-N775 PolarHBondContact O-N 3.08Å; S773-H776 WeakPolarHBondContact O-CA 3.18Å; S773-H776 WeakPolarHBondContact O-CB 3.07Å; S773-H776 PolarHBondContact O-N 3.19Å; S773-L777 PolarHBondContact O-N 2.79Å; S773-L777 VanDerWaalsContact O-N 3.13Å | ||
| 774 | P | 37.3 | Very low | 39.1 | Very low | 89 Ų | 89 | 104.2 Ų | 104.2 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -55.1 | -25.9 | 178.2 | -29.1 | 35.8 | 0 | 0 | 0 | 114.1 | R778 | P774-R778 WeakPolarHBondContact O-CB 3.27Å; P774-R778 VanDerWaalsContact O-CG 3.25Å; P774-R778 WeakPolarHBondContact O-CG 3.45Å; P774-R778 PolarHBondContact O-N 2.82Å |
| 775 | N | 39.6 | Very low | 39.5 | Very low | 109 Ų | 109 | 98.3 Ų | 98.3 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.3 | -33.2 | 175.2 | -61.5 | -52.1 | 0 | 0 | 0 | 112.6 | S773 Y779 | S773-N775 PolarHBondContact O-N 3.08Å; N775-Y779 WeakPolarHBondContact O-CB 3.07Å; N775-Y779 PolarHBondContact O-N 3.47Å |
| 776 | H | 41.4 | Very low | 40.2 | Very low | 83 Ų | 83 | 94.9 Ų | 94.9 | 38% | 0.384 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.7 | -40.5 | 175.9 | -169.8 | -124 | 0 | 0 | 0 | 111.1 | L771 S773 Y779 R780 | L771-H776 PolarHBondContact O-ND1 2.82Å; S773-H776 WeakPolarHBondContact O-CA 3.18Å; S773-H776 WeakPolarHBondContact O-CB 3.07Å; S773-H776 PolarHBondContact O-N 3.19Å; H776-Y779 WeakPolarHBondContact O-CB 3.26Å; H776-Y779 PolarHBondContact O-N 3.12Å; H776-R780 PolarHBondContact O-N 3.2Å |
| 777 | L | 39.9 | Very low | 40.9 | Very low | 91 Ų | 91 | 92.8 Ų | 92.8 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.6 | -48.7 | 169.3 | -108.5 | 112.9 | 0 | 0 | 0 | 111.8 | S773 Y779 R780 Q781 | S773-L777 PolarHBondContact O-N 2.79Å; S773-L777 VanDerWaalsContact O-N 3.13Å; L777-Y779 VanDerWaalsContact C-N 3.3Å; L777-Y779 PolarHBondContact O-N 2.72Å; L777-R780 WeakPolarHBondContact O-CB 3.25Å; L777-R780 PolarHBondContact O-N 2.6Å; L777-R780 VanDerWaalsContact O-N 3.09Å; L777-Q781 WeakPolarHBondContact O-CG 3.36Å; L777-Q781 PolarHBondContact O-N 3.25Å |
| 778 | R | 39.5 | Very low | 41.8 | Very low | 159 Ų | 159 | 86.8 Ų | 86.8 | 60% | 0.6 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.1 | -37.2 | 176.2 | -76.2 | 170.8 | 176 | -175.5 | -1.6 | 112.9 | P774 A782 | P774-R778 WeakPolarHBondContact O-CB 3.27Å; P774-R778 VanDerWaalsContact O-CG 3.25Å; P774-R778 WeakPolarHBondContact O-CG 3.45Å; P774-R778 PolarHBondContact O-N 2.82Å; R778-A782 VanDerWaalsContact O-CB 3.26Å; R778-A782 WeakPolarHBondContact O-CB 3.35Å; R778-A782 PolarHBondContact O-N 3.03Å |
| 779 | Y | 42.7 | Very low | 42.6 | Very low | 148 Ų | 148 | 84.4 Ų | 84.4 | 58% | 0.58 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.3 | -41.6 | 173.3 | -176.6 | -93.9 | 0 | 0 | 0 | 112 | N775 H776 L777 A782 R783 | N775-Y779 WeakPolarHBondContact O-CB 3.07Å; N775-Y779 PolarHBondContact O-N 3.47Å; H776-Y779 WeakPolarHBondContact O-CB 3.26Å; H776-Y779 PolarHBondContact O-N 3.12Å; L777-Y779 VanDerWaalsContact C-N 3.3Å; L777-Y779 PolarHBondContact O-N 2.72Å; Y779-A782 PolarHBondContact O-N 3.12Å; Y779-R783 WeakPolarHBondContact O-CB 3.47Å; Y779-R783 PolarHBondContact O-N 3Å |
| 780 | R | 45.5 | Very low | 43.4 | Very low | 189 Ų | 189 | 84 Ų | 84 | 71% | 0.713 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | 177.3 | -156.1 | 176.5 | -171.4 | -174.9 | 2 | 111.8 | H776 L777 R783 W784 | H776-R780 PolarHBondContact O-N 3.2Å; L777-R780 WeakPolarHBondContact O-CB 3.25Å; L777-R780 PolarHBondContact O-N 2.6Å; L777-R780 VanDerWaalsContact O-N 3.09Å; R780-R783 PolarHBondContact O-N 3.5Å; R780-W784 WeakPolarHBondContact O-CB 3.32Å; R780-W784 PolarHBondContact O-N 3.46Å |
| 781 | Q | 44 | Very low | 44.3 | Very low | 89 Ų | 89 | 85 Ų | 85 | 42% | 0.416 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.4 | -72.4 | 170.2 | -25.9 | 0 | 0 | 112.1 | L777 R783 W784 A785 | L777-Q781 WeakPolarHBondContact O-CG 3.36Å; L777-Q781 PolarHBondContact O-N 3.25Å; Q781-R783 PolarHBondContact O-N 2.92Å; Q781-W784 PolarHBondContact O-N 3.12Å; Q781-A785 WeakPolarHBondContact O-CB 3.43Å; Q781-A785 PolarHBondContact O-N 2.98Å |
| 782 | A | 44.4 | Very low | 45 | Very low | 21 Ų | 21 | 89.1 Ų | 89.1 | 17% | 0.174 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.4 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R778 Y779 S786 M814 | R778-A782 VanDerWaalsContact O-CB 3.26Å; R778-A782 WeakPolarHBondContact O-CB 3.35Å; R778-A782 PolarHBondContact O-N 3.03Å; Y779-A782 PolarHBondContact O-N 3.12Å; A782-S786 PolarHBondContact O-N 3.13Å; A782-M814 HydrophobicContact CB-CE 3.66Å; A782-M814 HydrophobicContact CB-CG 4.38Å; A782-M814 HydrophobicContact CB-SD 3.75Å |
| 783 | R | 46.7 | Very low | 45.5 | Very low | 136 Ų | 136 | 94.6 Ų | 94.6 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.4 | -52.9 | 175.2 | -178.9 | 177.3 | 179.6 | 131.7 | 12.9 | 111.9 | Y779 R780 Q781 A785 S786 E787 | Y779-R783 WeakPolarHBondContact O-CB 3.47Å; Y779-R783 PolarHBondContact O-N 3Å; R780-R783 PolarHBondContact O-N 3.5Å; Q781-R783 PolarHBondContact O-N 2.92Å; R783-A785 VanDerWaalsContact C-N 3.35Å; R783-A785 PolarHBondContact O-N 3.44Å; R783-S786 CarbonylContact O-C 3.12Å; R783-S786 WeakPolarHBondContact O-CA 3.31Å; R783-S786 WeakPolarHBondContact O-CB 3.24Å; R783-S786 PolarHBondContact O-N 2.96Å; R783-S786 PolarHBondContact O-OG 2.87Å; R783-E787 IonicContact CZ-OE1 2.88Å; R783-E787 VanDerWaalsContact CZ-OE1 3.32Å; R783-E787 IonicContact NE-OE1 3.52Å; R783-E787 PolarHBondContact NE-OE1 3.34Å; R783-E787 IonicContact NE-OE2 2.87Å; R783-E787 IonicContact NH2-OE1 2.77Å; R783-E787 PolarHBondContact NH2-OE1 3.45Å; R783-E787 PolarHBondContact O-N 2.92Å |
| 784 | W | 47.5 | Very low | 46.2 | Very low | 74 Ų | 74 | 93.4 Ų | 93.4 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.3 | -44.3 | -178.1 | -178.2 | 75.6 | 0 | 0 | 0 | 112 | L465 A469 R780 Q781 S786 E787 I788 | L465-W784 HydrophobicContact CD1-CH2 4.35Å; L465-W784 HydrophobicContact CD1-CZ3 3.83Å; L465-W784 HydrophobicContact CD2-CZ3 4.24Å; L465-W784 HydrophobicContact CG-CH2 4.29Å; L465-W784 HydrophobicContact CG-CZ3 3.86Å; A469-W784 HydrophobicContact CB-CH2 4.02Å; A469-W784 HydrophobicContact CB-CZ2 3.87Å; R780-W784 WeakPolarHBondContact O-CB 3.32Å; R780-W784 PolarHBondContact O-N 3.46Å; Q781-W784 PolarHBondContact O-N 3.12Å; W784-S786 VanDerWaalsContact C-N 3.31Å; W784-S786 PolarHBondContact O-N 3.21Å; W784-E787 CarbonylContact O-C 3.54Å; W784-E787 PolarHBondContact O-N 3.07Å; W784-I788 HydrophobicContact CD2-CD1 3.73Å; W784-I788 HydrophobicContact CE3-CD1 3.82Å; W784-I788 HydrophobicContact CH2-CD1 3.59Å; W784-I788 HydrophobicContact CZ2-CD1 3.47Å; W784-I788 VanDerWaalsContact CZ2-CD1 3.47Å; W784-I788 HydrophobicContact CZ3-CD1 3.75Å; W784-I788 PolarHBondContact O-N 2.02Å |
| 785 | A | 45.7 | Very low | 47 | Very low | 6 Ų | 6 | 91.4 Ų | 91.4 | 5% | 0.05 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q781 R783 E787 A789 F810 L811 | Q781-A785 WeakPolarHBondContact O-CB 3.43Å; Q781-A785 PolarHBondContact O-N 2.98Å; R783-A785 VanDerWaalsContact C-N 3.35Å; R783-A785 PolarHBondContact O-N 3.44Å; A785-E787 VanDerWaalsContact C-N 3.33Å; A785-A789 VanDerWaalsContact O-CB 3.24Å; A785-A789 WeakPolarHBondContact O-CB 3.48Å; A785-A789 PolarHBondContact O-N 3.18Å; A785-F810 HydrophobicContact CB-CE1 4.12Å; A785-F810 HydrophobicContact CB-CE2 4.41Å; A785-F810 HydrophobicContact CB-CZ 3.47Å; A785-F810 VanDerWaalsContact CB-CZ 3.47Å; A785-L811 HydrophobicContact CB-CD1 4.03Å |
| 786 | S | 48.7 | Very low | 47.7 | Very low | 39 Ų | 39 | 87.6 Ų | 87.6 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71 | -28.4 | 170.8 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | A782 R783 W784 L790 | A782-S786 PolarHBondContact O-N 3.13Å; R783-S786 CarbonylContact O-C 3.12Å; R783-S786 WeakPolarHBondContact O-CA 3.31Å; R783-S786 WeakPolarHBondContact O-CB 3.24Å; R783-S786 PolarHBondContact O-N 2.96Å; R783-S786 PolarHBondContact O-OG 2.87Å; W784-S786 VanDerWaalsContact C-N 3.31Å; W784-S786 PolarHBondContact O-N 3.21Å; S786-L790 WeakPolarHBondContact O-CB 3.32Å; S786-L790 WeakPolarHBondContact O-CD1 3.48Å; S786-L790 WeakPolarHBondContact O-CG 3.33Å; S786-L790 PolarHBondContact O-N 3.44Å |
| 787 | E | 48.8 | Very low | 48.2 | Very low | 90 Ų | 90 | 87.4 Ų | 87.4 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -78.4 | -33.6 | 175.1 | -70.4 | 168.2 | 171.4 | 0 | 0 | 111.1 | R783 W784 A785 L790 N791 | R783-E787 IonicContact CZ-OE1 2.88Å; R783-E787 VanDerWaalsContact CZ-OE1 3.32Å; R783-E787 IonicContact NE-OE1 3.52Å; R783-E787 PolarHBondContact NE-OE1 3.34Å; R783-E787 IonicContact NE-OE2 2.87Å; R783-E787 IonicContact NH2-OE1 2.77Å; R783-E787 PolarHBondContact NH2-OE1 3.45Å; R783-E787 PolarHBondContact O-N 2.92Å; W784-E787 CarbonylContact O-C 3.54Å; W784-E787 PolarHBondContact O-N 3.07Å; A785-E787 VanDerWaalsContact C-N 3.33Å; E787-L790 WeakPolarHBondContact O-CB 3.47Å; E787-L790 PolarHBondContact O-N 2.92Å; E787-N791 PolarHBondContact O-N 3.36Å |
| 788 | I | 51.4 | Low | 49.1 | Very low | 30 Ų | 30 | 84.8 Ų | 84.8 | 15% | 0.154 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.3 | -46.3 | 170.1 | -72.1 | 178.3 | 0 | 0 | 0 | 111.9 | L468 W784 L790 N791 T794 | L468-I788 HydrophobicContact CD2-CD1 4.48Å; W784-I788 HydrophobicContact CD2-CD1 3.73Å; W784-I788 HydrophobicContact CE3-CD1 3.82Å; W784-I788 HydrophobicContact CH2-CD1 3.59Å; W784-I788 HydrophobicContact CZ2-CD1 3.47Å; W784-I788 VanDerWaalsContact CZ2-CD1 3.47Å; W784-I788 HydrophobicContact CZ3-CD1 3.75Å; W784-I788 PolarHBondContact O-N 2.02Å; I788-L790 PolarHBondContact O-N 2.8Å; I788-L790 VanDerWaalsContact O-N 3.16Å; I788-N791 PolarHBondContact O-N 2.93Å; I788-N791 VanDerWaalsContact O-N 3.15Å; I788-T794 HydrophobicContact CG2-CG2 4.04Å; I788-T794 WeakPolarHBondContact O-CB 3.25Å; I788-T794 PolarHBondContact O-OG1 3.4Å |
| 789 | A | 51.2 | Low | 49.9 | Very low | 25 Ų | 25 | 84.1 Ų | 84.1 | 21% | 0.207 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -20.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A785 L811 | A785-A789 VanDerWaalsContact O-CB 3.24Å; A785-A789 WeakPolarHBondContact O-CB 3.48Å; A785-A789 PolarHBondContact O-N 3.18Å; A789-L811 HydrophobicContact CB-CD2 4.36Å |
| 790 | L | 49.9 | Very low | 50.8 | Low | 81 Ų | 81 | 83.6 Ų | 83.6 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -85 | -23.1 | 176.8 | -99.4 | 170.5 | 0 | 0 | 0 | 115 | A409 L410 S786 E787 I788 K792 | A409-L790 WeakPolarHBondContact O-CD2 3.36Å; L410-L790 HydrophobicContact CB-CD2 4.49Å; L410-L790 HydrophobicContact CD2-CD1 3.55Å; L410-L790 HydrophobicContact CD2-CD2 3.84Å; L410-L790 HydrophobicContact CD2-CG 3.57Å; S786-L790 WeakPolarHBondContact O-CB 3.32Å; S786-L790 WeakPolarHBondContact O-CD1 3.48Å; S786-L790 WeakPolarHBondContact O-CG 3.33Å; S786-L790 PolarHBondContact O-N 3.44Å; E787-L790 WeakPolarHBondContact O-CB 3.47Å; E787-L790 PolarHBondContact O-N 2.92Å; I788-L790 PolarHBondContact O-N 2.8Å; I788-L790 VanDerWaalsContact O-N 3.16Å; L790-K792 PolarHBondContact O-N 3.1Å |
| 791 | N | 50.8 | Low | 51.6 | Low | 88 Ų | 88 | 79.7 Ų | 79.7 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | trans | -69.9 | 127 | -172.1 | 169.9 | 4.9 | 0 | 0 | 0 | 109.8 | E787 I788 R793 T794 S795 | E787-N791 PolarHBondContact O-N 3.36Å; I788-N791 PolarHBondContact O-N 2.93Å; I788-N791 VanDerWaalsContact O-N 3.15Å; N791-R793 PolarHBondContact O-N 3.35Å; N791-R793 PolarHBondContact OD1-N 2.99Å; N791-R793 VanDerWaalsContact OD1-N 3.08Å; N791-T794 WeakPolarHBondContact CB-OG1 3.35Å; N791-T794 PolarHBondContact O-N 3.04Å; N791-T794 PolarHBondContact O-OG1 3.12Å; N791-T794 VanDerWaalsContact O-OG1 3.12Å; N791-S795 PolarHBondContact O-N 2.95Å | ||
| 792 | K | 50.2 | Low | 52.1 | Low | 188 Ų | 188 | 79.9 Ų | 79.9 | 82% | 0.817 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.8 | -174.6 | -147.2 | -175.5 | -175 | -168.7 | 0 | 113.5 | L790 S795 | L790-K792 PolarHBondContact O-N 3.1Å; K792-S795 WeakPolarHBondContact CA-OG 3.14Å; K792-S795 PolarHBondContact O-OG 2.93Å |
| 793 | R | 51.8 | Low | 52.5 | Low | 205 Ų | 205 | 80.8 Ų | 80.8 | 77% | 0.774 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -43.3 | 173.6 | -174.5 | 173.6 | -82.9 | 174 | -7.4 | 111.8 | N791 G796 L797 | N791-R793 PolarHBondContact O-N 3.35Å; N791-R793 PolarHBondContact OD1-N 2.99Å; N791-R793 VanDerWaalsContact OD1-N 3.08Å; R793-G796 PolarHBondContact O-N 2.92Å; R793-L797 PolarHBondContact O-N 2.85Å |
| 794 | T | 53.5 | Low | 52.8 | Low | 22 Ų | 22 | 76.6 Ų | 76.6 | 14% | 0.135 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.7 | -31.9 | 176.1 | 10.3 | 0 | 0 | 0 | 0 | 113 | I788 N791 G796 L797 F798 | I788-T794 HydrophobicContact CG2-CG2 4.04Å; I788-T794 WeakPolarHBondContact O-CB 3.25Å; I788-T794 PolarHBondContact O-OG1 3.4Å; N791-T794 WeakPolarHBondContact CB-OG1 3.35Å; N791-T794 PolarHBondContact O-N 3.04Å; N791-T794 PolarHBondContact O-OG1 3.12Å; N791-T794 VanDerWaalsContact O-OG1 3.12Å; T794-G796 PolarHBondContact O-N 3.45Å; T794-L797 HydrophobicContact CG2-CD2 4.26Å; T794-L797 WeakPolarHBondContact O-CA 3.28Å; T794-L797 WeakPolarHBondContact O-CB 3.42Å; T794-L797 PolarHBondContact O-N 3.1Å; T794-F798 HydrophobicContact CG2-CE1 4.47Å; T794-F798 HydrophobicContact CG2-CE2 4.29Å; T794-F798 HydrophobicContact CG2-CZ 3.86Å; T794-F798 WeakPolarHBondContact O-CD2 2.93Å; T794-F798 WeakPolarHBondContact O-CE2 3.4Å; T794-F798 WeakPolarHBondContact O-CG 3.49Å; T794-F798 PolarHBondContact O-N 3.29Å |
| 795 | S | 53.1 | Low | 53.1 | Low | 46 Ų | 46 | 76.6 Ų | 76.6 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -26.1 | 172 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | N791 K792 | N791-S795 PolarHBondContact O-N 2.95Å; K792-S795 WeakPolarHBondContact CA-OG 3.14Å; K792-S795 PolarHBondContact O-OG 2.93Å |
| 796 | G | 55 | Low | 53.2 | Low | 30 Ų | 30 | 82 Ų | 82 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.8 | -43.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | R793 T794 F798 N799 I800 | R793-G796 PolarHBondContact O-N 2.92Å; T794-G796 PolarHBondContact O-N 3.45Å; G796-F798 VanDerWaalsContact C-N 3.33Å; G796-F798 PolarHBondContact O-N 3.29Å; G796-N799 WeakPolarHBondContact O-CB 3.22Å; G796-N799 PolarHBondContact O-N 3.29Å; G796-I800 WeakPolarHBondContact O-CG1 3.28Å; G796-I800 PolarHBondContact O-N 3.34Å |
| 797 | L | 51.5 | Low | 53.2 | Low | 79 Ų | 79 | 82.7 Ų | 82.7 | 41% | 0.414 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 179.7 | -158.1 | 68.1 | 0 | 0 | 0 | 113 | R793 T794 N799 I800 E801 L804 | R793-L797 PolarHBondContact O-N 2.85Å; T794-L797 HydrophobicContact CG2-CD2 4.26Å; T794-L797 WeakPolarHBondContact O-CA 3.28Å; T794-L797 WeakPolarHBondContact O-CB 3.42Å; T794-L797 PolarHBondContact O-N 3.1Å; L797-N799 VanDerWaalsContact C-N 3.28Å; L797-N799 PolarHBondContact O-N 3.33Å; L797-I800 PolarHBondContact O-N 3.32Å; L797-I800 VanDerWaalsContact O-N 3.16Å; L797-E801 PolarHBondContact O-N 2.87Å; L797-L804 HydrophobicContact CD2-CD2 3.58Å; L797-L804 HydrophobicContact CG-CD2 3.86Å |
| 798 | F | 58.7 | Low | 53.2 | Low | 35 Ų | 35 | 79.9 Ų | 79.9 | 15% | 0.154 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.3 | -20.4 | 175.8 | -55.5 | -47 | 0 | 0 | 0 | 114.5 | T794 G796 L804 V805 L808 | T794-F798 HydrophobicContact CG2-CE1 4.47Å; T794-F798 HydrophobicContact CG2-CE2 4.29Å; T794-F798 HydrophobicContact CG2-CZ 3.86Å; T794-F798 WeakPolarHBondContact O-CD2 2.93Å; T794-F798 WeakPolarHBondContact O-CE2 3.4Å; T794-F798 WeakPolarHBondContact O-CG 3.49Å; T794-F798 PolarHBondContact O-N 3.29Å; G796-F798 VanDerWaalsContact C-N 3.33Å; G796-F798 PolarHBondContact O-N 3.29Å; F798-L804 HydrophobicContact CD1-CB 4.21Å; F798-L804 HydrophobicContact CD1-CD2 3.8Å; F798-L804 HydrophobicContact CD1-CG 4.06Å; F798-L804 HydrophobicContact CE1-CD2 3.61Å; F798-L804 HydrophobicContact CE1-CG 3.89Å; F798-V805 HydrophobicContact CB-CG2 4.02Å; F798-L808 HydrophobicContact CD1-CD1 4.02Å; F798-L808 HydrophobicContact CE1-CD1 3.2Å; F798-L808 HydrophobicContact CE2-CD1 4.17Å; F798-L808 HydrophobicContact CZ-CD1 3.31Å |
| 799 | N | 56.2 | Low | 52.9 | Low | 146 Ų | 146 | 82.2 Ų | 82.2 | 78% | 0.781 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -84 | -24 | 171.7 | -71.6 | -4.7 | 0 | 0 | 0 | 112.1 | G796 L797 | G796-N799 WeakPolarHBondContact O-CB 3.22Å; G796-N799 PolarHBondContact O-N 3.29Å; L797-N799 VanDerWaalsContact C-N 3.28Å; L797-N799 PolarHBondContact O-N 3.33Å |
| 800 | I | 62.3 | Low | 52.4 | Low | 136 Ų | 136 | 84.4 Ų | 84.4 | 70% | 0.697 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -84 | -44 | 178.3 | -65.4 | 164.8 | 0 | 0 | 0 | 110.3 | G796 L797 P802 | G796-I800 WeakPolarHBondContact O-CG1 3.28Å; G796-I800 PolarHBondContact O-N 3.34Å; L797-I800 PolarHBondContact O-N 3.32Å; L797-I800 VanDerWaalsContact O-N 3.16Å; I800-P802 WeakPolarHBondContact O-CD 3.36Å |
| 801 | E | 61.6 | Low | 52.1 | Low | 108 Ų | 108 | 82.2 Ų | 82.2 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | trans | -121.9 | 89.8 | -176.6 | -163.8 | 175.4 | 148.2 | 0 | 0 | 111.7 | L797 G803 L804 | L797-E801 PolarHBondContact O-N 2.87Å; E801-G803 PolarHBondContact O-N 3.48Å; E801-G803 VanDerWaalsContact O-N 3.15Å; E801-L804 HydrophobicContact CB-CB 4.36Å; E801-L804 HydrophobicContact CG-CB 4.5Å; E801-L804 VanDerWaalsContact O-CB 3.25Å; E801-L804 WeakPolarHBondContact O-CB 3.31Å; E801-L804 PolarHBondContact O-N 3.07Å | ||
| 802 | P | 54.6 | Low | 51.6 | Low | 92 Ų | 92 | 79.2 Ų | 79.2 | 60% | 0.597 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.9 | -19.3 | 178.5 | 24.8 | -33.8 | 0 | 0 | 0 | 113.2 | I800 L804 V805 | I800-P802 WeakPolarHBondContact O-CD 3.36Å; P802-L804 PolarHBondContact O-N 3.17Å; P802-V805 WeakPolarHBondContact O-CB 3.45Å; P802-V805 PolarHBondContact O-N 3.47Å; P802-V805 VanDerWaalsContact O-N 3.11Å |
| 803 | G | 53 | Low | 50.9 | Low | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.6 | -32.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E801 V805 N806 S807 | E801-G803 PolarHBondContact O-N 3.48Å; E801-G803 VanDerWaalsContact O-N 3.15Å; G803-V805 VanDerWaalsContact C-N 3.28Å; G803-V805 PolarHBondContact O-N 3.47Å; G803-N806 WeakPolarHBondContact O-CB 3.45Å; G803-N806 PolarHBondContact O-N 3.27Å; G803-N806 VanDerWaalsContact O-N 3.13Å; G803-S807 PolarHBondContact O-N 3.25Å |
| 804 | L | 53.7 | Low | 50.2 | Low | 48 Ų | 48 | 66.4 Ų | 66.4 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.5 | -20.4 | 177.4 | -158.8 | 69.5 | 0 | 0 | 0 | 112.6 | L797 F798 E801 P802 N806 S807 L808 | L797-L804 HydrophobicContact CD2-CD2 3.58Å; L797-L804 HydrophobicContact CG-CD2 3.86Å; F798-L804 HydrophobicContact CD1-CB 4.21Å; F798-L804 HydrophobicContact CD1-CD2 3.8Å; F798-L804 HydrophobicContact CD1-CG 4.06Å; F798-L804 HydrophobicContact CE1-CD2 3.61Å; F798-L804 HydrophobicContact CE1-CG 3.89Å; E801-L804 HydrophobicContact CB-CB 4.36Å; E801-L804 HydrophobicContact CG-CB 4.5Å; E801-L804 VanDerWaalsContact O-CB 3.25Å; E801-L804 WeakPolarHBondContact O-CB 3.31Å; E801-L804 PolarHBondContact O-N 3.07Å; P802-L804 PolarHBondContact O-N 3.17Å; L804-N806 VanDerWaalsContact C-N 3.33Å; L804-S807 PolarHBondContact O-OG 3.4Å; L804-L808 PolarHBondContact O-N 2.93Å |
| 805 | V | 53 | Low | 49.6 | Very low | 73 Ų | 73 | 68.8 Ų | 68.8 | 44% | 0.442 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.1 | -31.7 | 170.5 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | F798 P802 G803 L808 S809 | F798-V805 HydrophobicContact CB-CG2 4.02Å; P802-V805 WeakPolarHBondContact O-CB 3.45Å; P802-V805 PolarHBondContact O-N 3.47Å; P802-V805 VanDerWaalsContact O-N 3.11Å; G803-V805 VanDerWaalsContact C-N 3.28Å; G803-V805 PolarHBondContact O-N 3.47Å; V805-L808 CarbonylContact O-C 3.58Å; V805-L808 PolarHBondContact O-N 3.26Å; V805-S809 PolarHBondContact O-N 3.47Å |
| 806 | N | 48.8 | Very low | 49.4 | Very low | 120 Ų | 120 | 68.5 Ų | 68.5 | 64% | 0.642 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -70.5 | -31.3 | 176.5 | -68.7 | -35.7 | 0 | 0 | 0 | 112.8 | G803 L804 L808 S809 | G803-N806 WeakPolarHBondContact O-CB 3.45Å; G803-N806 PolarHBondContact O-N 3.27Å; G803-N806 VanDerWaalsContact O-N 3.13Å; L804-N806 VanDerWaalsContact C-N 3.33Å; N806-L808 VanDerWaalsContact C-N 3.25Å; N806-L808 PolarHBondContact O-N 3.12Å; N806-S809 WeakPolarHBondContact O-CB 3.32Å; N806-S809 PolarHBondContact O-N 2.94Å; N806-S809 PolarHBondContact O-OG 3.05Å |
| 807 | S | 47.9 | Very low | 48.8 | Very low | 53 Ų | 53 | 72 Ų | 72 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.6 | -25 | 171.1 | 70.7 | 0 | 0 | 0 | 0 | 112.4 | G803 L804 S809 | G803-S807 PolarHBondContact O-N 3.25Å; L804-S807 PolarHBondContact O-OG 3.4Å; S807-S809 VanDerWaalsContact C-N 3.31Å; S807-S809 PolarHBondContact O-N 2.9Å |
| 808 | L | 49 | Very low | 48.2 | Very low | 32 Ų | 32 | 70.7 Ų | 70.7 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 9.7 | 171.4 | -82.9 | 154.9 | 0 | 0 | 0 | 114.6 | F798 L804 V805 N806 F810 L811 | F798-L808 HydrophobicContact CD1-CD1 4.02Å; F798-L808 HydrophobicContact CE1-CD1 3.2Å; F798-L808 HydrophobicContact CE2-CD1 4.17Å; F798-L808 HydrophobicContact CZ-CD1 3.31Å; L804-L808 PolarHBondContact O-N 2.93Å; V805-L808 CarbonylContact O-C 3.58Å; V805-L808 PolarHBondContact O-N 3.26Å; N806-L808 VanDerWaalsContact C-N 3.25Å; N806-L808 PolarHBondContact O-N 3.12Å; L808-F810 HydrophobicContact CD2-CE1 4.27Å; L808-F810 PolarHBondContact O-N 3.27Å; L808-F810 VanDerWaalsContact O-N 3.08Å; L808-L811 HydrophobicContact CD2-CD1 4.37Å; L808-L811 WeakPolarHBondContact O-CB 3.34Å; L808-L811 PolarHBondContact O-N 3.13Å |
| 809 | S | 44.8 | Very low | 47.8 | Very low | 79 Ų | 79 | 69.5 Ų | 69.5 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -52 | -30.8 | 173.3 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | V805 N806 S807 L811 G812 | V805-S809 PolarHBondContact O-N 3.47Å; N806-S809 WeakPolarHBondContact O-CB 3.32Å; N806-S809 PolarHBondContact O-N 2.94Å; N806-S809 PolarHBondContact O-OG 3.05Å; S807-S809 VanDerWaalsContact C-N 3.31Å; S807-S809 PolarHBondContact O-N 2.9Å; S809-L811 PolarHBondContact O-N 3.25Å; S809-G812 PolarHBondContact O-N 2.75Å |
| 810 | F | 41.8 | Very low | 47.7 | Very low | 71 Ų | 71 | 66 Ų | 66 | 31% | 0.311 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.9 | -21.2 | 175.8 | 95.5 | -90.6 | 0 | 0 | 0 | 114.2 | A785 L808 G812 T813 M814 | A785-F810 HydrophobicContact CB-CE1 4.12Å; A785-F810 HydrophobicContact CB-CE2 4.41Å; A785-F810 HydrophobicContact CB-CZ 3.47Å; A785-F810 VanDerWaalsContact CB-CZ 3.47Å; L808-F810 HydrophobicContact CD2-CE1 4.27Å; L808-F810 PolarHBondContact O-N 3.27Å; L808-F810 VanDerWaalsContact O-N 3.08Å; F810-G812 PolarHBondContact O-N 3.19Å; F810-T813 WeakPolarHBondContact O-CB 3.23Å; F810-T813 PolarHBondContact O-N 2.92Å; F810-T813 PolarHBondContact O-OG1 2.96Å; F810-T813 VanDerWaalsContact O-OG1 3.09Å; F810-M814 PolarHBondContact O-N 3.48Å |
| 811 | L | 43 | Very low | 47.5 | Very low | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.8 | -28.2 | 173.3 | -141.4 | 78 | 0 | 0 | 0 | 111 | A785 A789 L808 S809 T813 M814 L815 | A785-L811 HydrophobicContact CB-CD1 4.03Å; A789-L811 HydrophobicContact CB-CD2 4.36Å; L808-L811 HydrophobicContact CD2-CD1 4.37Å; L808-L811 WeakPolarHBondContact O-CB 3.34Å; L808-L811 PolarHBondContact O-N 3.13Å; S809-L811 PolarHBondContact O-N 3.25Å; L811-T813 VanDerWaalsContact C-N 3.33Å; L811-T813 PolarHBondContact O-N 3.46Å; L811-M814 WeakPolarHBondContact O-CB 3.43Å; L811-M814 PolarHBondContact O-N 3.45Å; L811-L815 WeakPolarHBondContact O-CB 3.41Å; L811-L815 VanDerWaalsContact O-CG 3.28Å; L811-L815 WeakPolarHBondContact O-CG 3.34Å; L811-L815 PolarHBondContact O-N 2.99Å |
| 812 | G | 41.1 | Very low | 47.4 | Very low | 26 Ų | 26 | 63.8 Ų | 63.8 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S809 F810 M814 L815 T817 A818 | S809-G812 PolarHBondContact O-N 2.75Å; F810-G812 PolarHBondContact O-N 3.19Å; G812-M814 VanDerWaalsContact C-N 3.34Å; G812-L815 PolarHBondContact O-N 3.21Å; G812-T817 PolarHBondContact O-OG1 2.79Å; G812-A818 PolarHBondContact O-N 2.94Å |
| 813 | T | 34.7 | Very low | 47.7 | Very low | 70 Ų | 70 | 62.5 Ų | 62.5 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 172.5 | -20.4 | 0 | 0 | 0 | 0 | 111.2 | F810 L811 A818 | F810-T813 WeakPolarHBondContact O-CB 3.23Å; F810-T813 PolarHBondContact O-N 2.92Å; F810-T813 PolarHBondContact O-OG1 2.96Å; F810-T813 VanDerWaalsContact O-OG1 3.09Å; L811-T813 VanDerWaalsContact C-N 3.33Å; L811-T813 PolarHBondContact O-N 3.46Å; T813-A818 HydrophobicContact CG2-CB 4.08Å; T813-A818 WeakPolarHBondContact CG2-O 3.47Å |
| 814 | M | 36 | Very low | 48.3 | Very low | 53 Ų | 53 | 64.6 Ų | 64.6 | 26% | 0.261 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 174.9 | -65.3 | -68.3 | 174.3 | 0 | 0 | 112.9 | R403 A782 F810 L811 G812 N816 I831 | R403-M814 PolarHBondContact NH1-O 2.93Å; A782-M814 HydrophobicContact CB-CE 3.66Å; A782-M814 HydrophobicContact CB-CG 4.38Å; A782-M814 HydrophobicContact CB-SD 3.75Å; F810-M814 PolarHBondContact O-N 3.48Å; L811-M814 WeakPolarHBondContact O-CB 3.43Å; L811-M814 PolarHBondContact O-N 3.45Å; G812-M814 VanDerWaalsContact C-N 3.34Å; M814-N816 PolarHBondContact O-N 3.45Å; M814-N816 VanDerWaalsContact O-N 3.14Å; M814-I831 HydrophobicContact SD-CD1 4.05Å; M814-I831 HydrophobicContact SD-CG2 4.42Å |
| 815 | L | 42.2 | Very low | 48.9 | Very low | 73 Ų | 73 | 62.4 Ų | 62.4 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 12.2 | -170.7 | -77.5 | 167.6 | 0 | 0 | 0 | 116 | L407 L811 G812 T817 | L407-L815 HydrophobicContact CD1-CD2 4.12Å; L811-L815 WeakPolarHBondContact O-CB 3.41Å; L811-L815 VanDerWaalsContact O-CG 3.28Å; L811-L815 WeakPolarHBondContact O-CG 3.34Å; L811-L815 PolarHBondContact O-N 2.99Å; G812-L815 PolarHBondContact O-N 3.21Å; L815-T817 VanDerWaalsContact C-N 3.28Å; L815-T817 PolarHBondContact O-N 3.1Å |
| 816 | N | 48 | Very low | 49.7 | Very low | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -6.7 | 177.3 | -148.6 | 20.6 | 0 | 0 | 0 | 115.3 | M814 M826 | M814-N816 PolarHBondContact O-N 3.45Å; M814-N816 VanDerWaalsContact O-N 3.14Å; N816-M826 WeakPolarHBondContact O-CE 3.48Å; N816-M826 WeakPolarHBondContact OD1-CE 3.32Å |
| 817 | T | 42.4 | Very low | 50.7 | Low | 103 Ų | 103 | 55.5 Ų | 55.5 | 63% | 0.632 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -41.8 | 174.5 | 13.6 | 0 | 0 | 0 | 0 | 111.4 | G812 L815 R821 | G812-T817 PolarHBondContact O-OG1 2.79Å; L815-T817 VanDerWaalsContact C-N 3.28Å; L815-T817 PolarHBondContact O-N 3.1Å; T817-R821 PolarHBondContact O-NH2 3.41Å |
| 818 | A | 40.4 | Very low | 51.7 | Low | 52 Ų | 52 | 53.3 Ų | 53.3 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 45.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | G812 T813 | G812-A818 PolarHBondContact O-N 2.94Å; T813-A818 HydrophobicContact CG2-CB 4.08Å; T813-A818 WeakPolarHBondContact CG2-O 3.47Å |
| 819 | A | 49.3 | Very low | 52.7 | Low | 9 Ų | 9 | 51.8 Ų | 51.8 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | trans | -60.5 | 140.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | R821 M826 | A819-R821 WeakPolarHBondContact O-CG 3.45Å; A819-M826 HydrophobicContact CB-CE 3.98Å | ||
| 820 | P | 55.1 | Low | 53.7 | Low | 74 Ų | 74 | 48.9 Ų | 48.9 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | trans | -60.6 | 146.5 | -177.1 | 20.2 | -28 | 0 | 0 | 0 | 111.9 | Y827 A830 | P820-Y827 WeakPolarHBondContact O-CD2 3.36Å; P820-Y827 PolarHBondContact O-N 2.98Å; P820-Y827 VanDerWaalsContact O-N 3.12Å; P820-A830 HydrophobicContact CG-CB 4.29Å | ||
| 821 | R | 58.1 | Low | 54.3 | Low | 140 Ų | 140 | 49.2 Ų | 49.2 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -140.1 | 136.9 | -179.1 | -46.3 | -172.9 | -160.4 | 175.9 | 9.6 | 109.7 | T817 A819 G823 T825 | T817-R821 PolarHBondContact O-NH2 3.41Å; A819-R821 WeakPolarHBondContact O-CG 3.45Å; R821-G823 VanDerWaalsContact C-N 3.26Å; R821-G823 PolarHBondContact O-N 3.29Å; R821-T825 VanDerWaalsContact CA-O 3.26Å; R821-T825 WeakPolarHBondContact CA-O 3.49Å; R821-T825 WeakPolarHBondContact CB-O 3.4Å |
| 822 | D | 59.6 | Low | 55 | Low | 57 Ų | 57 | 49.7 Ų | 49.7 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | trans | -94.8 | 30.9 | 173.4 | 55.5 | 18.7 | 0 | 0 | 0 | 111.8 | Y824 T825 Y827 | D822-Y824 PolarHBondContact O-N 2.94Å; D822-Y824 PolarHBondContact OD1-N 3.5Å; D822-T825 VanDerWaalsContact CG-OG1 3.29Å; D822-T825 PolarHBondContact N-O 3.26Å; D822-T825 WeakPolarHBondContact OD1-CA 3.26Å; D822-T825 PolarHBondContact OD1-N 2.94Å; D822-T825 PolarHBondContact OD1-OG1 2.7Å; D822-T825 PolarHBondContact OD2-OG1 2.95Å; D822-Y827 HydrophobicContact CB-CE2 4.2Å; D822-Y827 WeakPolarHBondContact OD2-CE2 3.39Å; D822-Y827 VanDerWaalsContact OD2-CZ 3.31Å; D822-Y827 PolarHBondContact OD2-OH 3.38Å | ||
| 823 | G | 59.8 | Low | 56.1 | Low | 64 Ų | 64 | 50.1 Ų | 50.1 | 66% | 0.66 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 73.5 | -22 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R821 | R821-G823 VanDerWaalsContact C-N 3.26Å; R821-G823 PolarHBondContact O-N 3.29Å |
| 824 | Y | 65.3 | Low | 57.3 | Low | 85 Ų | 85 | 47.7 Ų | 47.7 | 33% | 0.333 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -117.5 | -37 | -173.5 | -73.1 | -108.9 | 0 | 0 | 0 | 112.3 | R6 K23 N24 S25 D822 | R6-Y824 VanDerWaalsContact NH1-CD2 3.32Å; R6-Y824 VanDerWaalsContact NH1-CE2 3.32Å; K23-Y824 CarbonylContact C-O 3.58Å; K23-Y824 HydrophobicContact CG-CD1 4.41Å; N24-Y824 WeakPolarHBondContact CA-O 3.34Å; N24-Y824 PolarHBondContact N-O 2.73Å; S25-Y824 PolarHBondContact N-O 2.88Å; S25-Y824 PolarHBondContact OG-O 3.33Å; D822-Y824 PolarHBondContact O-N 2.94Å; D822-Y824 PolarHBondContact OD1-N 3.5Å |
| 825 | T | 67.3 | Low | 58.9 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.9 | 179.7 | 79.2 | 0 | 0 | 0 | 0 | 111.9 | P16 S25 R821 D822 Y827 | P16-T825 HydrophobicContact CG-CG2 4.24Å; S25-T825 CarbonylContact O-C 3.56Å; S25-T825 VanDerWaalsContact O-CA 3.25Å; S25-T825 WeakPolarHBondContact O-CA 3.34Å; R821-T825 VanDerWaalsContact CA-O 3.26Å; R821-T825 WeakPolarHBondContact CA-O 3.49Å; R821-T825 WeakPolarHBondContact CB-O 3.4Å; D822-T825 VanDerWaalsContact CG-OG1 3.29Å; D822-T825 PolarHBondContact N-O 3.26Å; D822-T825 WeakPolarHBondContact OD1-CA 3.26Å; D822-T825 PolarHBondContact OD1-N 2.94Å; D822-T825 PolarHBondContact OD1-OG1 2.7Å; D822-T825 PolarHBondContact OD2-OG1 2.95Å; T825-Y827 VanDerWaalsContact OG1-CE2 3.28Å; T825-Y827 WeakPolarHBondContact OG1-CE2 3.04Å |
| 826 | M | 68.4 | Low | 60.5 | Low | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.8 | 171.7 | -177.1 | -167.5 | -169.4 | 0 | 0 | 108.2 | S25 R26 E27 N816 A819 N828 | S25-M826 PolarHBondContact O-N 2.9Å; R26-M826 HydrophobicContact CG-CB 4.28Å; R26-M826 HydrophobicContact CG-SD 4.08Å; E27-M826 WeakPolarHBondContact CB-O 3.12Å; E27-M826 PolarHBondContact N-O 3.45Å; E27-M826 VanDerWaalsContact N-O 3.11Å; N816-M826 WeakPolarHBondContact O-CE 3.48Å; N816-M826 WeakPolarHBondContact OD1-CE 3.32Å; A819-M826 HydrophobicContact CB-CE 3.98Å; M826-N828 HydrophobicContact CG-CB 4.41Å; M826-N828 PolarHBondContact O-N 3.34Å; M826-N828 HydrophobicContact SD-CB 4.39Å |
| 827 | Y | 71.4 | Confident | 62.3 | Low | 32 Ų | 32 | 43.8 Ų | 43.8 | 13% | 0.125 | 26% | 0.262 | C | S | . | . | trans | -76 | 67.7 | 178.8 | -69.9 | -86.9 | 0 | 0 | 0 | 111.2 | P16 E27 P820 D822 T825 E829 A830 | P16-Y827 VanDerWaalsContact CD-OH 3.25Å; P16-Y827 WeakPolarHBondContact CD-OH 3.47Å; P16-Y827 HydrophobicContact CG-CE1 3.76Å; E27-Y827 VanDerWaalsContact OE2-C 3.22Å; E27-Y827 VanDerWaalsContact OE2-CA 3.24Å; E27-Y827 WeakPolarHBondContact OE2-CA 3.47Å; P820-Y827 WeakPolarHBondContact O-CD2 3.36Å; P820-Y827 PolarHBondContact O-N 2.98Å; P820-Y827 VanDerWaalsContact O-N 3.12Å; D822-Y827 HydrophobicContact CB-CE2 4.2Å; D822-Y827 WeakPolarHBondContact OD2-CE2 3.39Å; D822-Y827 VanDerWaalsContact OD2-CZ 3.31Å; D822-Y827 PolarHBondContact OD2-OH 3.38Å; T825-Y827 VanDerWaalsContact OG1-CE2 3.28Å; T825-Y827 WeakPolarHBondContact OG1-CE2 3.04Å; Y827-E829 PolarHBondContact O-N 3.34Å; Y827-E829 VanDerWaalsContact O-N 3.12Å; Y827-A830 PolarHBondContact O-N 3.32Å | ||
| 828 | N | 68.5 | Low | 64.4 | Low | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -3.7 | -171.5 | 82.1 | -109.5 | 0 | 0 | 0 | 113.6 | R26 E27 S28 M826 | R26-N828 WeakPolarHBondContact CB-OD1 3.49Å; R26-N828 HydrophobicContact CG-CB 4.36Å; E27-N828 PolarHBondContact OE2-N 3.06Å; S28-N828 WeakPolarHBondContact CB-OD1 3.42Å; S28-N828 PolarHBondContact N-OD1 3.26Å; S28-N828 PolarHBondContact OG-ND2 2.96Å; S28-N828 PolarHBondContact OG-OD1 3.03Å; M826-N828 HydrophobicContact CG-CB 4.41Å; M826-N828 PolarHBondContact O-N 3.34Å; M826-N828 HydrophobicContact SD-CB 4.39Å |
| 829 | E | 70.5 | Confident | 66.6 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 4.1 | -179 | -54.2 | -158.1 | 115.2 | 0 | 0 | 113.4 | E27 S112 Y827 I831 A832 V834 Y835 Y837 | E27-E829 PolarHBondContact OE2-N 2.99Å; E27-E829 VanDerWaalsContact OE2-N 3.1Å; S112-E829 PolarHBondContact N-O 3.01Å; S112-E829 VanDerWaalsContact N-O 3.13Å; S112-E829 PolarHBondContact OG-O 3.44Å; Y827-E829 PolarHBondContact O-N 3.34Å; Y827-E829 VanDerWaalsContact O-N 3.12Å; E829-I831 VanDerWaalsContact C-N 3.31Å; E829-I831 PolarHBondContact O-N 3.33Å; E829-A832 WeakPolarHBondContact CA-O 3.37Å; E829-A832 CarbonylContact O-C 3.55Å; E829-A832 PolarHBondContact O-N 3.33Å; E829-V834 HydrophobicContact CG-CB 4.26Å; E829-V834 HydrophobicContact CG-CG2 4.06Å; E829-V834 WeakPolarHBondContact OE1-CA 3.5Å; E829-V834 VanDerWaalsContact OE1-CB 3.28Å; E829-V834 WeakPolarHBondContact OE1-CB 3.49Å; E829-V834 PolarHBondContact OE1-N 3.26Å; E829-Y835 VanDerWaalsContact OE1-CD1 3.3Å; E829-Y835 WeakPolarHBondContact OE1-CD1 3.38Å; E829-Y835 VanDerWaalsContact OE1-CE1 3.28Å; E829-Y835 WeakPolarHBondContact OE1-CE1 3.46Å; E829-Y837 VanDerWaalsContact CD-OH 3.31Å; E829-Y837 WeakPolarHBondContact OE2-CE1 2.95Å; E829-Y837 PolarHBondContact OE2-OH 2.76Å |
| 830 | A | 65.9 | Low | 68.3 | Low | 17 Ų | 17 | 43.8 Ų | 43.8 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -62.3 | -33.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S111 S112 Q113 P820 Y827 | S111-A830 PolarHBondContact OG-O 3.14Å; S112-A830 WeakPolarHBondContact OG-CA 3.34Å; S112-A830 PolarHBondContact OG-N 3.28Å; Q113-A830 HydrophobicContact CG-CB 3.79Å; P820-A830 HydrophobicContact CG-CB 4.29Å; Y827-A830 PolarHBondContact O-N 3.32Å |
| 831 | I | 54.2 | Low | 70.1 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -91 | -38.5 | 177.6 | -59.9 | 167.4 | 0 | 0 | 0 | 111.1 | M814 E829 | M814-I831 HydrophobicContact SD-CD1 4.05Å; M814-I831 HydrophobicContact SD-CG2 4.42Å; E829-I831 VanDerWaalsContact C-N 3.31Å; E829-I831 PolarHBondContact O-N 3.33Å |
| 832 | A | 57.1 | Low | 71.6 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -155.3 | 132.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S110 E829 | S110-A832 CarbonylContact O-C 3.57Å; S110-A832 VanDerWaalsContact O-CA 3.23Å; S110-A832 WeakPolarHBondContact O-CA 3.49Å; E829-A832 WeakPolarHBondContact CA-O 3.37Å; E829-A832 CarbonylContact O-C 3.55Å; E829-A832 PolarHBondContact O-N 3.33Å |
| 833 | S | 63.9 | Low | 72.9 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | trans | -60.2 | 134.4 | 171.7 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | V109 S110 Y835 | V109-S833 PolarHBondContact O-OG 3.49Å; V109-S833 VanDerWaalsContact O-OG 3.1Å; S110-S833 PolarHBondContact O-N 3.22Å; S110-S833 PolarHBondContact O-OG 2.78Å; S833-Y835 VanDerWaalsContact C-N 3.34Å | ||
| 834 | V | 60.8 | Low | 74.3 | Confident | 19 Ų | 19 | 32.4 Ų | 32.4 | 12% | 0.115 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -90.6 | -7.5 | -172.6 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | A395 E829 | A395-V834 VanDerWaalsContact C-CG1 3.47Å; A395-V834 VanDerWaalsContact CA-O 3.25Å; A395-V834 WeakPolarHBondContact CA-O 3.27Å; A395-V834 HydrophobicContact CB-CG1 3.98Å; A395-V834 WeakPolarHBondContact O-CG1 3.4Å; E829-V834 HydrophobicContact CG-CB 4.26Å; E829-V834 HydrophobicContact CG-CG2 4.06Å; E829-V834 WeakPolarHBondContact OE1-CA 3.5Å; E829-V834 VanDerWaalsContact OE1-CB 3.28Å; E829-V834 WeakPolarHBondContact OE1-CB 3.49Å; E829-V834 PolarHBondContact OE1-N 3.26Å |
| 835 | Y | 68.1 | Low | 75.6 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -151 | 164.9 | 170.1 | 59.6 | -66.7 | 0 | 0 | 0 | 111 | R32 H120 A395 E829 S833 Y837 F840 | R32-Y835 WeakPolarHBondContact CD-OH 3.31Å; R32-Y835 HydrophobicContact CG-CE2 4.26Å; R32-Y835 VanDerWaalsContact CG-OH 3.3Å; R32-Y835 WeakPolarHBondContact CG-OH 3.22Å; H120-Y835 AromaticContact NE2-CZ 3.65Å; H120-Y835 PolarHBondContact NE2-OH 3.03Å; A395-Y835 HydrophobicContact CB-CD1 3.71Å; A395-Y835 HydrophobicContact CB-CG 3.88Å; E829-Y835 VanDerWaalsContact OE1-CD1 3.3Å; E829-Y835 WeakPolarHBondContact OE1-CD1 3.38Å; E829-Y835 VanDerWaalsContact OE1-CE1 3.28Å; E829-Y835 WeakPolarHBondContact OE1-CE1 3.46Å; S833-Y835 VanDerWaalsContact C-N 3.34Å; Y835-Y837 HydrophobicContact CD1-CD1 4.43Å; Y835-Y837 HydrophobicContact CD1-CE1 4.21Å; Y835-Y837 HydrophobicContact CD2-CD1 4.19Å; Y835-Y837 HydrophobicContact CE1-CD1 4.09Å; Y835-Y837 AromaticContact CE1-CE1 3.74Å; Y835-Y837 HydrophobicContact CE1-CE1 3.74Å; Y835-Y837 AromaticContact CE2-CD1 3.87Å; Y835-Y837 HydrophobicContact CE2-CD1 3.87Å; Y835-Y837 HydrophobicContact CE2-CE1 4.34Å; Y835-Y837 HydrophobicContact CG-CD1 4.47Å; Y835-Y837 AromaticContact CZ-CD1 3.81Å; Y835-Y837 AromaticContact CZ-CE1 3.82Å; Y835-Y837 PolarHBondContact O-N 3.5Å; Y835-F840 HydrophobicContact CD2-CB 3.86Å; Y835-F840 HydrophobicContact CD2-CG 4.29Å; Y835-F840 HydrophobicContact CE2-CB 3.73Å; Y835-F840 HydrophobicContact CE2-CD1 4.24Å; Y835-F840 HydrophobicContact CE2-CD2 4.02Å; Y835-F840 AromaticContact CE2-CG 3.72Å; Y835-F840 HydrophobicContact CE2-CG 3.72Å |
| 836 | S | 76.3 | Confident | 76.7 | Confident | 64 Ų | 64 | 28.8 Ų | 28.8 | 45% | 0.448 | 15% | 0.153 | S | C | . | . | trans | -76.2 | 105.3 | 172.8 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | P838 W839 F840 | S836-P838 WeakPolarHBondContact OG-CD 3.16Å; S836-P838 WeakPolarHBondContact OG-CG 3.17Å; S836-W839 PolarHBondContact O-N 2.92Å; S836-F840 PolarHBondContact O-N 2.76Å | ||
| 837 | Y | 85.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53 | -45.7 | 173.7 | -61.5 | -9 | 0 | 0 | 0 | 113.8 | T106 V109 H120 N121 E829 Y835 W839 F840 H841 | T106-Y837 HydrophobicContact CG2-CD2 4.45Å; V109-Y837 HydrophobicContact CB-CD2 4.03Å; V109-Y837 HydrophobicContact CG1-CD2 3.6Å; V109-Y837 HydrophobicContact CG1-CE2 3.62Å; H120-Y837 HydrophobicContact CB-CD2 3.93Å; H120-Y837 HydrophobicContact CB-CE2 4.07Å; H120-Y837 AromaticContact CD2-CD1 3.53Å; H120-Y837 AromaticContact CD2-CD2 3.51Å; H120-Y837 AromaticContact CD2-CE1 3.55Å; H120-Y837 AromaticContact CD2-CE2 3.53Å; H120-Y837 AromaticContact CD2-CG 3.51Å; H120-Y837 AromaticContact CD2-CZ 3.53Å; H120-Y837 AromaticContact CG-CD2 3.72Å; H120-Y837 AromaticContact CG-CG 3.92Å; H120-Y837 AromaticContact NE2-CD1 3.49Å; H120-Y837 WeakPolarHBondContact NE2-CD1 3.15Å; H120-Y837 AromaticContact NE2-CE1 3.77Å; H120-Y837 AromaticContact NE2-CG 3.73Å; N121-Y837 PolarHBondContact ND2-OH 2.67Å; E829-Y837 VanDerWaalsContact CD-OH 3.31Å; E829-Y837 WeakPolarHBondContact OE2-CE1 2.95Å; E829-Y837 PolarHBondContact OE2-OH 2.76Å; Y835-Y837 HydrophobicContact CD1-CD1 4.43Å; Y835-Y837 HydrophobicContact CD1-CE1 4.21Å; Y835-Y837 HydrophobicContact CD2-CD1 4.19Å; Y835-Y837 HydrophobicContact CE1-CD1 4.09Å; Y835-Y837 AromaticContact CE1-CE1 3.74Å; Y835-Y837 HydrophobicContact CE1-CE1 3.74Å; Y835-Y837 AromaticContact CE2-CD1 3.87Å; Y835-Y837 HydrophobicContact CE2-CD1 3.87Å; Y835-Y837 HydrophobicContact CE2-CE1 4.34Å; Y835-Y837 HydrophobicContact CG-CD1 4.47Å; Y835-Y837 AromaticContact CZ-CD1 3.81Å; Y835-Y837 AromaticContact CZ-CE1 3.82Å; Y835-Y837 PolarHBondContact O-N 3.5Å; Y837-W839 PolarHBondContact O-N 2.96Å; Y837-F840 WeakPolarHBondContact O-CB 3.28Å; Y837-F840 PolarHBondContact O-N 2.83Å; Y837-H841 PolarHBondContact O-CD2 2.74Å; Y837-H841 PolarHBondContact O-N 3.5Å |
| 838 | P | 87.4 | Confident | 78.5 | Confident | 22 Ų | 22 | 26.7 Ų | 26.7 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.6 | -37 | -179.2 | 26.5 | -35.4 | 0 | 0 | 0 | 111.8 | T103 T106 I107 S836 F840 H841 F842 | T103-P838 HydrophobicContact CG2-CB 4.09Å; T103-P838 WeakPolarHBondContact O-CB 3.31Å; T106-P838 WeakPolarHBondContact O-CD 3.06Å; T106-P838 VanDerWaalsContact OG1-CA 3.29Å; T106-P838 WeakPolarHBondContact OG1-CA 3.4Å; I107-P838 HydrophobicContact CG1-CB 4.33Å; S836-P838 WeakPolarHBondContact OG-CD 3.16Å; S836-P838 WeakPolarHBondContact OG-CG 3.17Å; P838-F840 VanDerWaalsContact C-N 3.32Å; P838-F840 PolarHBondContact O-N 3.07Å; P838-H841 PolarHBondContact O-N 3.41Å; P838-F842 WeakPolarHBondContact O-CB 3.16Å; P838-F842 PolarHBondContact O-N 2.89Å |
| 839 | W | 85.4 | Confident | 79.5 | Confident | 135 Ų | 135 | 26.6 Ų | 26.6 | 51% | 0.511 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 175.4 | -174.3 | -108.8 | 0 | 0 | 0 | 112.3 | S836 Y837 F842 I843 | S836-W839 PolarHBondContact O-N 2.92Å; Y837-W839 PolarHBondContact O-N 2.96Å; W839-F842 AromaticContact CE3-CD1 3.91Å; W839-F842 HydrophobicContact CE3-CD1 3.91Å; W839-F842 HydrophobicContact CH2-CD1 4.27Å; W839-F842 HydrophobicContact CH2-CE1 4.3Å; W839-F842 AromaticContact CZ3-CD1 3.64Å; W839-F842 HydrophobicContact CZ3-CD1 3.64Å; W839-F842 AromaticContact CZ3-CE1 3.86Å; W839-F842 HydrophobicContact CZ3-CE1 3.86Å; W839-I843 HydrophobicContact CZ2-CD1 4.39Å; W839-I843 WeakPolarHBondContact O-CG1 3.17Å; W839-I843 PolarHBondContact O-N 2.8Å; W839-I843 VanDerWaalsContact O-N 3.09Å |
| 840 | F | 85.8 | Confident | 80.3 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 172.6 | 167.7 | -92.9 | 0 | 0 | 0 | 111.8 | R32 Y35 H120 A391 Y835 S836 Y837 P838 F842 I843 Y844 | R32-F840 HydrophobicContact CB-CE2 4.17Å; R32-F840 HydrophobicContact CB-CZ 4.24Å; R32-F840 HydrophobicContact CG-CD2 4.22Å; R32-F840 HydrophobicContact CG-CE1 4.44Å; R32-F840 HydrophobicContact CG-CE2 3.57Å; R32-F840 HydrophobicContact CG-CZ 3.71Å; Y35-F840 AromaticContact CD2-CE1 3.56Å; Y35-F840 HydrophobicContact CD2-CE1 3.56Å; Y35-F840 AromaticContact CD2-CZ 3.93Å; Y35-F840 HydrophobicContact CD2-CZ 3.93Å; Y35-F840 HydrophobicContact CE2-CE1 4.19Å; Y35-F840 HydrophobicContact CG-CE1 4.09Å; Y35-F840 HydrophobicContact CG-CZ 4.28Å; H120-F840 AromaticContact CE1-CD1 3.93Å; A391-F840 HydrophobicContact CB-CD2 4.14Å; A391-F840 HydrophobicContact CB-CE2 4.41Å; Y835-F840 HydrophobicContact CD2-CB 3.86Å; Y835-F840 HydrophobicContact CD2-CG 4.29Å; Y835-F840 HydrophobicContact CE2-CB 3.73Å; Y835-F840 HydrophobicContact CE2-CD1 4.24Å; Y835-F840 HydrophobicContact CE2-CD2 4.02Å; Y835-F840 AromaticContact CE2-CG 3.72Å; Y835-F840 HydrophobicContact CE2-CG 3.72Å; S836-F840 PolarHBondContact O-N 2.76Å; Y837-F840 WeakPolarHBondContact O-CB 3.28Å; Y837-F840 PolarHBondContact O-N 2.83Å; P838-F840 VanDerWaalsContact C-N 3.32Å; P838-F840 PolarHBondContact O-N 3.07Å; F840-F842 VanDerWaalsContact C-N 3.35Å; F840-F842 PolarHBondContact O-N 3.45Å; F840-I843 PolarHBondContact O-N 3.5Å; F840-Y844 HydrophobicContact CD2-CD2 4.36Å; F840-Y844 AromaticContact CD2-CE2 3.96Å; F840-Y844 HydrophobicContact CD2-CE2 3.96Å; F840-Y844 HydrophobicContact CE1-CD2 4.46Å; F840-Y844 HydrophobicContact CE1-CE2 4.33Å; F840-Y844 AromaticContact CE2-CD2 3.97Å; F840-Y844 HydrophobicContact CE2-CD2 3.97Å; F840-Y844 AromaticContact CE2-CE2 3.25Å; F840-Y844 HydrophobicContact CE2-CE2 3.25Å; F840-Y844 AromaticContact CE2-CZ 3.72Å; F840-Y844 HydrophobicContact CZ-CD2 4.01Å; F840-Y844 HydrophobicContact CZ-CE1 4.28Å; F840-Y844 AromaticContact CZ-CE2 3.46Å; F840-Y844 HydrophobicContact CZ-CE2 3.46Å; F840-Y844 VanDerWaalsContact CZ-CE2 3.46Å; F840-Y844 AromaticContact CZ-CZ 3.58Å; F840-Y844 WeakPolarHBondContact O-CD2 3.35Å; F840-Y844 PolarHBondContact O-N 2.69Å |
| 841 | H | 92.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 177.9 | -79.2 | -74.8 | 0 | 0 | 0 | 112.5 | Y35 H99 M102 T103 H120 Y837 P838 I843 Y844 A845 | Y35-H841 AromaticContact CE1-CE1 3.88Å; Y35-H841 AromaticContact CE2-CE1 3.82Å; Y35-H841 AromaticContact CZ-CE1 3.52Å; H99-H841 AromaticContact CE1-ND1 3.59Å; H99-H841 AromaticContact ND1-CG 3.97Å; H99-H841 AromaticContact ND1-ND1 3.17Å; H99-H841 PolarHBondContact ND1-ND1 2.91Å; H99-H841 VanDerWaalsContact ND1-ND1 3.17Å; M102-H841 HydrophobicContact CB-CB 4.27Å; M102-H841 WeakPolarHBondContact CB-ND1 3.38Å; M102-H841 WeakPolarHBondContact CE-NE2 3.29Å; T103-H841 VanDerWaalsContact OG1-CB 3.3Å; T103-H841 WeakPolarHBondContact OG1-CB 3.15Å; H120-H841 AromaticContact CE1-CD2 3.84Å; H120-H841 AromaticContact CE1-NE2 3.24Å; H120-H841 PolarHBondContact CE1-NE2 3.26Å; H120-H841 AromaticContact ND1-CD2 3.68Å; H120-H841 AromaticContact ND1-CE1 3.94Å; H120-H841 AromaticContact ND1-NE2 2.87Å; H120-H841 PolarHBondContact ND1-NE2 2.91Å; Y837-H841 PolarHBondContact O-CD2 2.74Å; Y837-H841 PolarHBondContact O-N 3.5Å; P838-H841 PolarHBondContact O-N 3.41Å; H841-I843 PolarHBondContact O-N 3.43Å; H841-Y844 PolarHBondContact O-N 3.37Å; H841-Y844 VanDerWaalsContact O-N 3.13Å; H841-A845 PolarHBondContact O-N 3.33Å |
| 842 | F | 90.3 | Very high | 82.8 | Confident | 73 Ų | 73 | 23.8 Ų | 23.8 | 32% | 0.32 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.5 | -179 | -109.3 | 0 | 0 | 0 | 112.7 | T103 P838 W839 F840 Y844 A845 L846 | T103-F842 HydrophobicContact CG2-CB 4.19Å; T103-F842 PolarHBondContact OG1-N 2.89Å; T103-F842 VanDerWaalsContact OG1-N 3.15Å; P838-F842 WeakPolarHBondContact O-CB 3.16Å; P838-F842 PolarHBondContact O-N 2.89Å; W839-F842 AromaticContact CE3-CD1 3.91Å; W839-F842 HydrophobicContact CE3-CD1 3.91Å; W839-F842 HydrophobicContact CH2-CD1 4.27Å; W839-F842 HydrophobicContact CH2-CE1 4.3Å; W839-F842 AromaticContact CZ3-CD1 3.64Å; W839-F842 HydrophobicContact CZ3-CD1 3.64Å; W839-F842 AromaticContact CZ3-CE1 3.86Å; W839-F842 HydrophobicContact CZ3-CE1 3.86Å; F840-F842 VanDerWaalsContact C-N 3.35Å; F840-F842 PolarHBondContact O-N 3.45Å; F842-Y844 VanDerWaalsContact C-N 3.28Å; F842-Y844 PolarHBondContact O-N 3.44Å; F842-A845 WeakPolarHBondContact O-CB 3.29Å; F842-A845 PolarHBondContact O-N 3.06Å; F842-L846 HydrophobicContact CD1-CD1 4.13Å; F842-L846 HydrophobicContact CE1-CD1 3.61Å; F842-L846 HydrophobicContact CE1-CG 4.28Å; F842-L846 HydrophobicContact CZ-CD1 3.92Å; F842-L846 HydrophobicContact CZ-CD2 4.41Å; F842-L846 HydrophobicContact CZ-CG 4.23Å; F842-L846 PolarHBondContact O-N 2.97Å |
| 843 | I | 86.2 | Confident | 83.9 | Confident | 19 Ų | 19 | 21.9 Ų | 21.9 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -36.3 | 174.5 | -74.7 | 174.9 | 0 | 0 | 0 | 111.7 | F162 V165 W839 F840 H841 L846 A847 | F162-I843 HydrophobicContact CE2-CG2 4.17Å; V165-I843 HydrophobicContact CG1-CD1 4.19Å; V165-I843 HydrophobicContact CG1-CG1 4.35Å; W839-I843 HydrophobicContact CZ2-CD1 4.39Å; W839-I843 WeakPolarHBondContact O-CG1 3.17Å; W839-I843 PolarHBondContact O-N 2.8Å; W839-I843 VanDerWaalsContact O-N 3.09Å; F840-I843 PolarHBondContact O-N 3.5Å; H841-I843 PolarHBondContact O-N 3.43Å; I843-L846 PolarHBondContact O-N 3.31Å; I843-A847 WeakPolarHBondContact O-CB 3.45Å; I843-A847 PolarHBondContact O-N 2.73Å |
| 844 | Y | 89.9 | Confident | 84.7 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -74.2 | -32.4 | 176.8 | -86.4 | -120.4 | 0 | 0 | 0 | 112.9 | T36 L39 H99 S388 F840 H841 F842 A847 T848 | T36-Y844 PolarHBondContact OG1-OH 2.9Å; L39-Y844 HydrophobicContact CB-CD1 4.49Å; L39-Y844 HydrophobicContact CB-CE1 4.37Å; L39-Y844 HydrophobicContact CD2-CD1 4.14Å; L39-Y844 HydrophobicContact CD2-CE1 4.15Å; H99-Y844 WeakPolarHBondContact CE1-CB 3.4Å; H99-Y844 AromaticContact CE1-CD1 3.53Å; H99-Y844 AromaticContact CE1-CG 3.65Å; H99-Y844 WeakPolarHBondContact ND1-CB 3.46Å; H99-Y844 AromaticContact NE2-CD1 3.84Å; S388-Y844 PolarHBondContact OG-OH 3.04Å; F840-Y844 HydrophobicContact CD2-CD2 4.36Å; F840-Y844 AromaticContact CD2-CE2 3.96Å; F840-Y844 HydrophobicContact CD2-CE2 3.96Å; F840-Y844 HydrophobicContact CE1-CD2 4.46Å; F840-Y844 HydrophobicContact CE1-CE2 4.33Å; F840-Y844 AromaticContact CE2-CD2 3.97Å; F840-Y844 HydrophobicContact CE2-CD2 3.97Å; F840-Y844 AromaticContact CE2-CE2 3.25Å; F840-Y844 HydrophobicContact CE2-CE2 3.25Å; F840-Y844 AromaticContact CE2-CZ 3.72Å; F840-Y844 HydrophobicContact CZ-CD2 4.01Å; F840-Y844 HydrophobicContact CZ-CE1 4.28Å; F840-Y844 AromaticContact CZ-CE2 3.46Å; F840-Y844 HydrophobicContact CZ-CE2 3.46Å; F840-Y844 VanDerWaalsContact CZ-CE2 3.46Å; F840-Y844 AromaticContact CZ-CZ 3.58Å; F840-Y844 WeakPolarHBondContact O-CD2 3.35Å; F840-Y844 PolarHBondContact O-N 2.69Å; H841-Y844 PolarHBondContact O-N 3.37Å; H841-Y844 VanDerWaalsContact O-N 3.13Å; F842-Y844 VanDerWaalsContact C-N 3.28Å; F842-Y844 PolarHBondContact O-N 3.44Å; Y844-A847 WeakPolarHBondContact O-CB 3.39Å; Y844-A847 PolarHBondContact O-N 2.85Å; Y844-T848 PolarHBondContact O-N 2.92Å; Y844-T848 PolarHBondContact O-OG1 3.37Å |
| 845 | A | 92.5 | Very high | 85.5 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F96 H99 I100 H841 F842 A847 T848 L849 | F96-A845 HydrophobicContact CD2-CB 3.76Å; F96-A845 HydrophobicContact CE2-CB 3.94Å; H99-A845 HydrophobicContact CB-CB 3.91Å; I100-A845 HydrophobicContact CD1-CB 3.64Å; I100-A845 HydrophobicContact CG1-CB 4Å; H841-A845 PolarHBondContact O-N 3.33Å; F842-A845 WeakPolarHBondContact O-CB 3.29Å; F842-A845 PolarHBondContact O-N 3.06Å; A845-A847 PolarHBondContact O-N 2.94Å; A845-T848 WeakPolarHBondContact O-CB 3.49Å; A845-T848 PolarHBondContact O-N 3.07Å; A845-L849 PolarHBondContact O-N 3.13Å; A845-L849 VanDerWaalsContact O-N 3.1Å |
| 846 | L | 89.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 6% | 0.058 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 173.6 | -67.5 | -179.7 | 0 | 0 | 0 | 112.6 | L161 F162 F842 I843 T848 L849 Y850 | L161-L846 HydrophobicContact CB-CD1 4.2Å; L161-L846 HydrophobicContact CB-CD2 4.05Å; L161-L846 HydrophobicContact CD1-CD2 4.39Å; F162-L846 HydrophobicContact CB-CB 3.99Å; F162-L846 HydrophobicContact CD2-CB 3.94Å; F162-L846 HydrophobicContact CG-CB 4.43Å; F842-L846 HydrophobicContact CD1-CD1 4.13Å; F842-L846 HydrophobicContact CE1-CD1 3.61Å; F842-L846 HydrophobicContact CE1-CG 4.28Å; F842-L846 HydrophobicContact CZ-CD1 3.92Å; F842-L846 HydrophobicContact CZ-CD2 4.41Å; F842-L846 HydrophobicContact CZ-CG 4.23Å; F842-L846 PolarHBondContact O-N 2.97Å; I843-L846 PolarHBondContact O-N 3.31Å; L846-T848 VanDerWaalsContact C-N 3.26Å; L846-T848 PolarHBondContact O-N 3.32Å; L846-L849 PolarHBondContact O-N 3.27Å; L846-Y850 PolarHBondContact O-N 3.01Å |
| 847 | A | 86.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 17.1 Ų | 17.1 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L39 F162 F384 I843 Y844 A845 Y850 L851 | L39-A847 HydrophobicContact CD2-CB 4.28Å; F162-A847 VanDerWaalsContact CD2-CA 3.5Å; F162-A847 HydrophobicContact CD2-CB 3.92Å; F162-A847 VanDerWaalsContact CD2-N 3.34Å; F162-A847 HydrophobicContact CE2-CB 3.43Å; F162-A847 VanDerWaalsContact CE2-CB 3.43Å; F162-A847 HydrophobicContact CZ-CB 3.76Å; F384-A847 HydrophobicContact CD1-CB 4.24Å; F384-A847 HydrophobicContact CE1-CB 3.91Å; I843-A847 WeakPolarHBondContact O-CB 3.45Å; I843-A847 PolarHBondContact O-N 2.73Å; Y844-A847 WeakPolarHBondContact O-CB 3.39Å; Y844-A847 PolarHBondContact O-N 2.85Å; A845-A847 PolarHBondContact O-N 2.94Å; A847-Y850 PolarHBondContact O-N 3.5Å; A847-L851 WeakPolarHBondContact O-CB 3.43Å; A847-L851 PolarHBondContact O-N 2.94Å |
| 848 | T | 91.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -71 | -39.6 | 177.7 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | C92 L95 F96 Y844 A845 L846 L851 M852 | C92-T848 HydrophobicContact CB-CG2 4.02Å; C92-T848 WeakPolarHBondContact O-CG2 3.41Å; L95-T848 HydrophobicContact CB-CG2 3.96Å; L95-T848 HydrophobicContact CD2-CG2 4.11Å; L95-T848 HydrophobicContact CG-CG2 4.19Å; F96-T848 HydrophobicContact CB-CG2 4.22Å; Y844-T848 PolarHBondContact O-N 2.92Å; Y844-T848 PolarHBondContact O-OG1 3.37Å; A845-T848 WeakPolarHBondContact O-CB 3.49Å; A845-T848 PolarHBondContact O-N 3.07Å; L846-T848 VanDerWaalsContact C-N 3.26Å; L846-T848 PolarHBondContact O-N 3.32Å; T848-L851 PolarHBondContact O-N 3.5Å; T848-M852 WeakPolarHBondContact O-CB 3.24Å; T848-M852 PolarHBondContact O-N 2.94Å |
| 849 | L | 91 | Very high | 83.8 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 172.7 | -65.3 | 179.5 | 0 | 0 | 0 | 111.8 | F96 W151 V154 A845 L846 M852 T853 | F96-L849 HydrophobicContact CD2-CD1 3.93Å; F96-L849 HydrophobicContact CD2-CD2 3.85Å; F96-L849 HydrophobicContact CD2-CG 3.7Å; F96-L849 HydrophobicContact CE2-CD1 3.54Å; F96-L849 HydrophobicContact CE2-CD2 4.13Å; F96-L849 HydrophobicContact CE2-CG 3.87Å; F96-L849 HydrophobicContact CG-CD2 4.31Å; F96-L849 HydrophobicContact CZ-CD1 4.34Å; W151-L849 HydrophobicContact CH2-CD2 3.38Å; W151-L849 HydrophobicContact CZ2-CD2 3.77Å; W151-L849 HydrophobicContact CZ3-CD2 4.02Å; V154-L849 HydrophobicContact CG1-CD1 4.06Å; V154-L849 HydrophobicContact CG1-CD2 4.21Å; A845-L849 PolarHBondContact O-N 3.13Å; A845-L849 VanDerWaalsContact O-N 3.1Å; L846-L849 PolarHBondContact O-N 3.27Å; L849-M852 HydrophobicContact CD2-CE 3.84Å; L849-M852 WeakPolarHBondContact O-CB 3.16Å; L849-M852 PolarHBondContact O-N 2.99Å; L849-T853 PolarHBondContact O-N 2.72Å; L849-T853 PolarHBondContact O-OG1 2.75Å |
| 850 | Y | 85.8 | Confident | 82.7 | Confident | 33 Ų | 33 | 17.6 Ų | 17.6 | 13% | 0.129 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -50.4 | 173.5 | 177.3 | -110.4 | 0 | 0 | 0 | 112.4 | F162 V163 F384 L846 A847 M852 T853 Q854 W858 | F162-Y850 HydrophobicContact CB-CG 4.49Å; F162-Y850 AromaticContact CD1-CD1 3.61Å; F162-Y850 HydrophobicContact CD1-CD1 3.61Å; F162-Y850 HydrophobicContact CD1-CD2 4.29Å; F162-Y850 HydrophobicContact CD1-CE1 4.39Å; F162-Y850 AromaticContact CD1-CG 3.54Å; F162-Y850 HydrophobicContact CD1-CG 3.54Å; F162-Y850 AromaticContact CE1-CD1 3.79Å; F162-Y850 HydrophobicContact CE1-CD1 3.79Å; F162-Y850 HydrophobicContact CE1-CE1 4.4Å; F162-Y850 HydrophobicContact CE1-CG 4.21Å; F162-Y850 HydrophobicContact CG-CG 4.34Å; V163-Y850 HydrophobicContact CG2-CD2 3.68Å; V163-Y850 HydrophobicContact CG2-CE2 3.45Å; V163-Y850 VanDerWaalsContact CG2-CE2 3.45Å; F384-Y850 HydrophobicContact CE1-CD1 4.17Å; F384-Y850 HydrophobicContact CZ-CD1 4.22Å; L846-Y850 PolarHBondContact O-N 3.01Å; A847-Y850 PolarHBondContact O-N 3.5Å; Y850-M852 VanDerWaalsContact C-N 3.26Å; Y850-M852 PolarHBondContact O-N 3.21Å; Y850-T853 WeakPolarHBondContact CA-OG1 3.17Å; Y850-T853 PolarHBondContact O-N 3.43Å; Y850-T853 VanDerWaalsContact O-N 3.12Å; Y850-T853 PolarHBondContact O-OG1 3.36Å; Y850-Q854 HydrophobicContact CD1-CG 4.33Å; Y850-Q854 HydrophobicContact CD2-CG 4.13Å; Y850-Q854 HydrophobicContact CE1-CG 3.88Å; Y850-Q854 HydrophobicContact CE2-CG 3.64Å; Y850-Q854 HydrophobicContact CG-CG 4.45Å; Y850-Q854 WeakPolarHBondContact O-CG 3.31Å; Y850-Q854 PolarHBondContact O-N 2.96Å; Y850-W858 HydrophobicContact CD2-CZ2 4.48Å; Y850-W858 HydrophobicContact CE2-CZ2 4.5Å |
| 851 | L | 86.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -47.6 | -53.1 | 173.6 | 171.8 | 63.4 | 0 | 0 | 0 | 110.5 | T43 F384 A847 T848 T853 Q854 L855 | T43-L851 HydrophobicContact CG2-CD1 3.81Å; F384-L851 HydrophobicContact CE2-CD1 4.28Å; F384-L851 HydrophobicContact CZ-CB 3.97Å; A847-L851 WeakPolarHBondContact O-CB 3.43Å; A847-L851 PolarHBondContact O-N 2.94Å; T848-L851 PolarHBondContact O-N 3.5Å; L851-T853 PolarHBondContact O-N 3.34Å; L851-Q854 PolarHBondContact O-N 3.42Å; L851-L855 HydrophobicContact CD1-CD1 3.8Å; L851-L855 HydrophobicContact CD1-CG 4.09Å; L851-L855 HydrophobicContact CG-CD1 4.16Å; L851-L855 WeakPolarHBondContact O-CG 3.5Å; L851-L855 PolarHBondContact O-N 3.22Å |
| 852 | M | 86.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.1 | -53.4 | 178.2 | -167.4 | 174 | 75.8 | 0 | 0 | 111.7 | Y89 C92 W151 G155 T848 L849 Y850 Q854 L855 T856 | Y89-M852 HydrophobicContact CD1-CE 4.12Å; Y89-M852 HydrophobicContact CD1-CG 3.68Å; Y89-M852 HydrophobicContact CD1-SD 3.47Å; Y89-M852 WeakPolarHBondContact CD1-SD 3.44Å; Y89-M852 HydrophobicContact CE1-CE 4.05Å; Y89-M852 HydrophobicContact CE1-CG 3.75Å; Y89-M852 HydrophobicContact CE1-SD 3.89Å; C92-M852 HydrophobicContact CB-CB 3.82Å; C92-M852 HydrophobicContact CB-CG 3.82Å; C92-M852 HydrophobicContact CB-SD 3.64Å; W151-M852 HydrophobicContact CD2-CE 4.28Å; W151-M852 VanDerWaalsContact CE2-SD 3.57Å; W151-M852 HydrophobicContact CZ2-CE 3.96Å; W151-M852 HydrophobicContact CZ2-SD 3.78Å; W151-M852 PolarHBondContact NE1-SD 3.27Å; G155-M852 VanDerWaalsContact CA-CE 3.4Å; T848-M852 WeakPolarHBondContact O-CB 3.24Å; T848-M852 PolarHBondContact O-N 2.94Å; L849-M852 HydrophobicContact CD2-CE 3.84Å; L849-M852 WeakPolarHBondContact O-CB 3.16Å; L849-M852 PolarHBondContact O-N 2.99Å; Y850-M852 VanDerWaalsContact C-N 3.26Å; Y850-M852 PolarHBondContact O-N 3.21Å; M852-Q854 VanDerWaalsContact C-N 3.31Å; M852-Q854 PolarHBondContact O-N 2.85Å; M852-L855 PolarHBondContact O-N 3.44Å; M852-T856 WeakPolarHBondContact O-CG2 3.36Å; M852-T856 PolarHBondContact O-N 3.18Å; M852-T856 PolarHBondContact O-OG1 3.39Å |
| 853 | T | 81.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.2 | -32.7 | -179.6 | 49.6 | 0 | 0 | 0 | 0 | 114.9 | G155 I156 L849 Y850 L851 N857 W858 | G155-T853 VanDerWaalsContact O-CG2 3.3Å; G155-T853 WeakPolarHBondContact O-CG2 3.3Å; I156-T853 HydrophobicContact CG1-CG2 4.16Å; L849-T853 PolarHBondContact O-N 2.72Å; L849-T853 PolarHBondContact O-OG1 2.75Å; Y850-T853 WeakPolarHBondContact CA-OG1 3.17Å; Y850-T853 PolarHBondContact O-N 3.43Å; Y850-T853 VanDerWaalsContact O-N 3.12Å; Y850-T853 PolarHBondContact O-OG1 3.36Å; L851-T853 PolarHBondContact O-N 3.34Å; T853-N857 PolarHBondContact O-N 3.48Å; T853-W858 HydrophobicContact CG2-CD2 4.48Å; T853-W858 HydrophobicContact CG2-CE3 4.45Å; T853-W858 HydrophobicContact CG2-CZ3 4.49Å; T853-W858 VanDerWaalsContact O-CD1 3.27Å; T853-W858 PolarHBondContact O-N 3.01Å; T853-W858 VanDerWaalsContact O-N 3.15Å |
| 854 | Q | 79.4 | Confident | 76.7 | Confident | 26 Ų | 26 | 23.4 Ų | 23.4 | 12% | 0.121 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71 | -39.6 | 176 | -67.6 | -54.9 | 115.7 | 0 | 0 | 111.5 | Y850 L851 M852 | Y850-Q854 HydrophobicContact CD1-CG 4.33Å; Y850-Q854 HydrophobicContact CD2-CG 4.13Å; Y850-Q854 HydrophobicContact CE1-CG 3.88Å; Y850-Q854 HydrophobicContact CE2-CG 3.64Å; Y850-Q854 HydrophobicContact CG-CG 4.45Å; Y850-Q854 WeakPolarHBondContact O-CG 3.31Å; Y850-Q854 PolarHBondContact O-N 2.96Å; L851-Q854 PolarHBondContact O-N 3.42Å; M852-Q854 VanDerWaalsContact C-N 3.31Å; M852-Q854 PolarHBondContact O-N 2.85Å |
| 855 | L | 78.3 | Confident | 75.1 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -75.2 | -33.7 | 179 | -63.3 | -177.1 | 0 | 0 | 0 | 112.5 | I47 H50 V88 L851 M852 L869 | I47-L855 HydrophobicContact CG1-CD1 4.46Å; I47-L855 HydrophobicContact CG1-CD2 3.8Å; H50-L855 PolarHBondContact NE2-O 3.21Å; H50-L855 VanDerWaalsContact NE2-O 3.14Å; V88-L855 HydrophobicContact CG1-CB 3.86Å; V88-L855 HydrophobicContact CG1-CD1 3.86Å; L851-L855 HydrophobicContact CD1-CD1 3.8Å; L851-L855 HydrophobicContact CD1-CG 4.09Å; L851-L855 HydrophobicContact CG-CD1 4.16Å; L851-L855 WeakPolarHBondContact O-CG 3.5Å; L851-L855 PolarHBondContact O-N 3.22Å; M852-L855 PolarHBondContact O-N 3.44Å; L855-L869 HydrophobicContact CD2-CD2 3.66Å; L855-L869 WeakPolarHBondContact O-CD1 3.45Å |
| 856 | T | 77.4 | Confident | 73.3 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 18.1 | -174.7 | 66 | 0 | 0 | 0 | 0 | 114.4 | V88 Y89 M852 W858 | V88-T856 HydrophobicContact CB-CG2 4.07Å; V88-T856 HydrophobicContact CG1-CG2 3.75Å; Y89-T856 HydrophobicContact CD2-CG2 4.19Å; Y89-T856 HydrophobicContact CE1-CG2 4.18Å; Y89-T856 HydrophobicContact CE2-CG2 3.68Å; Y89-T856 WeakPolarHBondContact OH-CB 3.26Å; Y89-T856 PolarHBondContact OH-OG1 3.18Å; M852-T856 WeakPolarHBondContact O-CG2 3.36Å; M852-T856 PolarHBondContact O-N 3.18Å; M852-T856 PolarHBondContact O-OG1 3.39Å; T856-W858 PolarHBondContact O-N 3.01Å |
| 857 | N | 71.2 | Confident | 71.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 54.2 | 173.6 | -158.3 | 3.4 | 0 | 0 | 0 | 114.9 | T853 Y859 N860 S872 | T853-N857 PolarHBondContact O-N 3.48Å; N857-Y859 PolarHBondContact O-N 3.08Å; N857-N860 PolarHBondContact O-N 2.95Å; N857-S872 WeakPolarHBondContact OD1-CB 3.47Å; N857-S872 PolarHBondContact OD1-OG 2.91Å |
| 858 | W | 67.6 | Low | 70.5 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.8 | 66.7 | 166.9 | -69.9 | 83.6 | 0 | 0 | 0 | 115.3 | I156 I160 Y850 T853 T856 A874 M878 | I156-W858 HydrophobicContact CB-CE3 4.31Å; I156-W858 HydrophobicContact CB-CZ3 4.26Å; I156-W858 HydrophobicContact CG1-CE3 3.96Å; I156-W858 HydrophobicContact CG1-CZ3 4.39Å; I156-W858 HydrophobicContact CG2-CE3 4.05Å; I156-W858 HydrophobicContact CG2-CZ3 3.94Å; I160-W858 HydrophobicContact CG1-CH2 4.32Å; I160-W858 HydrophobicContact CG1-CZ3 4.1Å; Y850-W858 HydrophobicContact CD2-CZ2 4.48Å; Y850-W858 HydrophobicContact CE2-CZ2 4.5Å; T853-W858 HydrophobicContact CG2-CD2 4.48Å; T853-W858 HydrophobicContact CG2-CE3 4.45Å; T853-W858 HydrophobicContact CG2-CZ3 4.49Å; T853-W858 VanDerWaalsContact O-CD1 3.27Å; T853-W858 PolarHBondContact O-N 3.01Å; T853-W858 VanDerWaalsContact O-N 3.15Å; T856-W858 PolarHBondContact O-N 3.01Å; W858-A874 HydrophobicContact CB-CB 3.52Å; W858-A874 HydrophobicContact CG-CB 4.29Å; W858-M878 HydrophobicContact CD2-CG 4.05Å; W858-M878 HydrophobicContact CE3-CG 3.84Å; W858-M878 HydrophobicContact CE3-SD 4.29Å; W858-M878 HydrophobicContact CH2-CE 3.64Å; W858-M878 HydrophobicContact CH2-CG 3.8Å; W858-M878 HydrophobicContact CH2-SD 3.78Å; W858-M878 HydrophobicContact CZ2-CE 4.24Å; W858-M878 HydrophobicContact CZ2-CG 3.97Å; W858-M878 HydrophobicContact CZ3-CE 4.13Å; W858-M878 HydrophobicContact CZ3-CG 3.72Å; W858-M878 HydrophobicContact CZ3-SD 3.65Å |
| 859 | Y | 65.8 | Low | 68.8 | Low | 105 Ų | 105 | 39.7 Ų | 39.7 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -2.7 | -178.8 | -147.9 | -101.5 | 0 | 0 | 0 | 116.7 | R149 M152 I153 I156 N857 P861 | R149-Y859 HydrophobicContact CG-CE2 4.5Å; R149-Y859 WeakPolarHBondContact CG-OH 3.38Å; M152-Y859 HydrophobicContact CB-CD2 3.81Å; M152-Y859 HydrophobicContact CB-CE2 3.93Å; M152-Y859 HydrophobicContact CE-CD1 4.38Å; M152-Y859 HydrophobicContact CE-CD2 3.72Å; M152-Y859 HydrophobicContact CE-CE2 4Å; M152-Y859 HydrophobicContact CE-CG 3.92Å; M152-Y859 WeakPolarHBondContact CE-O 3.48Å; M152-Y859 HydrophobicContact SD-CE2 4.47Å; I153-Y859 HydrophobicContact CG1-CE2 3.99Å; I156-Y859 HydrophobicContact CD1-CD2 3.7Å; I156-Y859 HydrophobicContact CD1-CG 4.14Å; N857-Y859 PolarHBondContact O-N 3.08Å; Y859-P861 WeakPolarHBondContact O-CD 3.48Å |
| 860 | N | 60.9 | Low | 67.4 | Low | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | trans | -117.6 | 68 | 178.9 | -166.8 | 14.7 | 0 | 0 | 0 | 114 | N857 Q862 I863 | N857-N860 PolarHBondContact O-N 2.95Å; N860-Q862 VanDerWaalsContact C-N 3.27Å; N860-Q862 PolarHBondContact O-N 2.92Å; N860-I863 WeakPolarHBondContact ND2-CD1 3.26Å; N860-I863 PolarHBondContact O-N 2.82Å | ||
| 861 | P | 59.8 | Low | 66.6 | Low | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -66.1 | -25.1 | -178.9 | 26.2 | -34 | 0 | 0 | 0 | 113.7 | Y85 M152 Y859 I863 S864 | Y85-P861 HydrophobicContact CD1-CB 3.64Å; Y85-P861 HydrophobicContact CD2-CB 3.44Å; Y85-P861 VanDerWaalsContact CD2-CB 3.44Å; Y85-P861 HydrophobicContact CD2-CG 4.03Å; Y85-P861 HydrophobicContact CE1-CB 4.02Å; Y85-P861 HydrophobicContact CE2-CB 3.81Å; Y85-P861 HydrophobicContact CE2-CG 3.99Å; Y85-P861 HydrophobicContact CG-CB 3.34Å; Y85-P861 HydrophobicContact CG-CG 4.38Å; M152-P861 HydrophobicContact CE-CG 4.03Å; Y859-P861 WeakPolarHBondContact O-CD 3.48Å; P861-I863 PolarHBondContact O-N 2.91Å; P861-S864 PolarHBondContact O-N 2.81Å; P861-S864 PolarHBondContact O-OG 2.71Å |
| 862 | Q | 56.2 | Low | 65.9 | Low | 146 Ų | 146 | 41.3 Ų | 41.3 | 68% | 0.682 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -67.2 | -5.9 | 179.4 | -67.2 | -176 | -33.4 | 0 | 0 | 113.9 | N860 | N860-Q862 VanDerWaalsContact C-N 3.27Å; N860-Q862 PolarHBondContact O-N 2.92Å |
| 863 | I | 58.1 | Low | 65.3 | Low | 62 Ų | 62 | 43.2 Ų | 43.2 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -118.1 | -1.9 | 174.6 | -57.3 | -167.6 | 0 | 0 | 0 | 111 | F285 N860 P861 R865 T868 | F285-I863 HydrophobicContact CE1-CD1 3.6Å; F285-I863 HydrophobicContact CZ-CD1 3.71Å; N860-I863 WeakPolarHBondContact ND2-CD1 3.26Å; N860-I863 PolarHBondContact O-N 2.82Å; P861-I863 PolarHBondContact O-N 2.91Å; I863-R865 PolarHBondContact O-N 3.1Å; I863-T868 PolarHBondContact O-OG1 3.35Å |
| 864 | S | 55.2 | Low | 64.8 | Low | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -77.6 | 85.2 | -175.9 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | H50 P861 | H50-S864 VanDerWaalsContact CE1-C 3.45Å; H50-S864 PolarHBondContact CE1-O 3.33Å; H50-S864 WeakPolarHBondContact NE2-CB 3.48Å; H50-S864 PolarHBondContact NE2-O 2.81Å; H50-S864 VanDerWaalsContact NE2-O 3.08Å; P861-S864 PolarHBondContact O-N 2.81Å; P861-S864 PolarHBondContact O-OG 2.71Å | ||
| 865 | R | 55.3 | Low | 64.6 | Low | 165 Ų | 165 | 43.8 Ų | 43.8 | 62% | 0.623 | 22% | 0.216 | S | C | * | . | trans | -96.6 | 163.4 | 159 | -57.5 | -178 | -175 | 175.2 | 1.7 | 110.2 | I863 D867 T868 L869 | I863-R865 PolarHBondContact O-N 3.1Å; R865-D867 VanDerWaalsContact C-N 3.29Å; R865-D867 PolarHBondContact O-N 3.08Å; R865-T868 WeakPolarHBondContact CA-OG1 3.5Å; R865-T868 PolarHBondContact N-OG1 2.85Å; R865-T868 PolarHBondContact O-N 2.78Å; R865-T868 VanDerWaalsContact O-N 3.1Å; R865-T868 PolarHBondContact O-OG1 2.9Å; R865-L869 PolarHBondContact O-N 2.8Å | ||
| 866 | V | 56.7 | Low | 64.7 | Low | 36 Ų | 36 | 43.6 Ų | 43.6 | 22% | 0.218 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -61.6 | -37 | -177.7 | 173 | 0 | 0 | 0 | 0 | 112.2 | H50 G52 T868 L869 | H50-V866 WeakPolarHBondContact ND1-CG2 3.38Å; G52-V866 VanDerWaalsContact C-CG2 3.42Å; V866-T868 PolarHBondContact O-N 2.86Å; V866-L869 PolarHBondContact O-N 3.1Å |
| 867 | D | 56.9 | Low | 65 | Low | 93 Ų | 93 | 46.8 Ų | 46.8 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -64.8 | -30 | 177 | -39 | -77.6 | 0 | 0 | 0 | 112.9 | R865 | R865-D867 VanDerWaalsContact C-N 3.29Å; R865-D867 PolarHBondContact O-N 3.08Å |
| 868 | T | 59.6 | Low | 65.4 | Low | 29 Ų | 29 | 48.2 Ų | 48.2 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -100.1 | 3.8 | -172.8 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | I863 R865 V866 S870 E871 | I863-T868 PolarHBondContact O-OG1 3.35Å; R865-T868 WeakPolarHBondContact CA-OG1 3.5Å; R865-T868 PolarHBondContact N-OG1 2.85Å; R865-T868 PolarHBondContact O-N 2.78Å; R865-T868 VanDerWaalsContact O-N 3.1Å; R865-T868 PolarHBondContact O-OG1 2.9Å; V866-T868 PolarHBondContact O-N 2.86Å; T868-S870 PolarHBondContact O-N 3.45Å; T868-E871 PolarHBondContact O-N 2.92Å |
| 869 | L | 55.4 | Low | 66.1 | Low | 38 Ų | 38 | 49.5 Ų | 49.5 | 20% | 0.199 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -26.4 | -174.9 | -129.4 | 74.4 | 0 | 0 | 0 | 113.9 | H50 L855 R865 V866 | H50-L869 WeakPolarHBondContact CE1-CD1 3.05Å; L855-L869 HydrophobicContact CD2-CD2 3.66Å; L855-L869 WeakPolarHBondContact O-CD1 3.45Å; R865-L869 PolarHBondContact O-N 2.8Å; V866-L869 PolarHBondContact O-N 3.1Å |
| 870 | S | 62.4 | Low | 67.2 | Low | 33 Ų | 33 | 44.6 Ų | 44.6 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -11.4 | 175.4 | 54 | 0 | 0 | 0 | 0 | 115.3 | S276 T868 S872 N875 | S276-S870 VanDerWaalsContact CA-O 3.32Å; S276-S870 WeakPolarHBondContact CA-O 3.42Å; S276-S870 VanDerWaalsContact CB-O 3.24Å; S276-S870 WeakPolarHBondContact CB-O 3.35Å; S276-S870 PolarHBondContact OG-O 3.15Å; T868-S870 PolarHBondContact O-N 3.45Å; S870-S872 PolarHBondContact O-N 3.41Å; S870-N875 VanDerWaalsContact CA-ND2 3.32Å; S870-N875 WeakPolarHBondContact CA-ND2 3.47Å; S870-N875 PolarHBondContact O-ND2 3.39Å |
| 871 | E | 69.4 | Low | 68.4 | Low | 30 Ų | 30 | 44.8 Ų | 44.8 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -90 | 78.7 | -171.2 | -65.6 | -161.9 | 178.8 | 0 | 0 | 111.2 | S276 R279 T868 | S276-E871 CarbonylContact O-C 3.33Å; S276-E871 WeakPolarHBondContact O-CA 3.38Å; R279-E871 WeakPolarHBondContact CG-OE2 3.29Å; R279-E871 IonicContact CZ-OE1 3.18Å; R279-E871 VanDerWaalsContact CZ-OE1 3.28Å; R279-E871 IonicContact NE-OE1 2.91Å; R279-E871 PolarHBondContact NE-OE1 2.89Å; R279-E871 IonicContact NE-OE2 3.28Å; R279-E871 PolarHBondContact NE-OE2 3.07Å; R279-E871 IonicContact NH2-OE1 2.69Å; R279-E871 PolarHBondContact NH2-OE1 2.95Å; T868-E871 PolarHBondContact O-N 2.92Å | ||
| 872 | S | 69.9 | Low | 69.5 | Low | 13 Ų | 13 | 44.6 Ų | 44.6 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -152.2 | 151.2 | 168 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | S276 N857 S870 A874 N875 M876 | S276-S872 CarbonylContact O-C 3.57Å; S276-S872 VanDerWaalsContact O-C 3.26Å; S276-S872 WeakPolarHBondContact O-CA 3.42Å; S276-S872 PolarHBondContact O-N 2.81Å; N857-S872 WeakPolarHBondContact OD1-CB 3.47Å; N857-S872 PolarHBondContact OD1-OG 2.91Å; S870-S872 PolarHBondContact O-N 3.41Å; S872-A874 PolarHBondContact O-N 3.04Å; S872-N875 PolarHBondContact O-N 2.87Å; S872-N875 VanDerWaalsContact O-N 3.09Å; S872-N875 PolarHBondContact OG-N 2.99Å; S872-M876 PolarHBondContact O-N 3.19Å |
| 873 | W | 75.1 | Confident | 71.1 | Confident | 40 Ų | 40 | 37.6 Ų | 37.6 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.7 | -36.8 | 172.6 | -67.6 | 118.2 | 0 | 0 | 0 | 112.6 | L225 Q277 P278 L320 F324 M876 W877 | L225-W873 HydrophobicContact CD2-CH2 4.27Å; L225-W873 HydrophobicContact CD2-CZ3 3.81Å; Q277-W873 HydrophobicContact CB-CH2 3.89Å; Q277-W873 HydrophobicContact CB-CZ2 4.41Å; Q277-W873 HydrophobicContact CB-CZ3 4.14Å; Q277-W873 HydrophobicContact CG-CE3 4.32Å; Q277-W873 HydrophobicContact CG-CH2 3.66Å; Q277-W873 HydrophobicContact CG-CZ3 3.52Å; P278-W873 HydrophobicContact CG-CD2 4.3Å; P278-W873 HydrophobicContact CG-CG 4.26Å; P278-W873 HydrophobicContact CG-CZ2 4.1Å; P278-W873 VanDerWaalsContact CG-NE1 3.3Å; L320-W873 HydrophobicContact CD1-CD2 4.22Å; L320-W873 HydrophobicContact CD1-CZ2 4.48Å; L320-W873 HydrophobicContact CD2-CD2 4.23Å; L320-W873 HydrophobicContact CD2-CE3 4.06Å; L320-W873 HydrophobicContact CD2-CH2 3.26Å; L320-W873 HydrophobicContact CD2-CZ2 3.44Å; L320-W873 VanDerWaalsContact CD2-CZ2 3.44Å; L320-W873 HydrophobicContact CD2-CZ3 3.56Å; F324-W873 HydrophobicContact CE1-CZ2 4.16Å; F324-W873 AromaticContact CZ-CZ2 3.74Å; F324-W873 HydrophobicContact CZ-CZ2 3.74Å; W873-M876 HydrophobicContact CE3-CE 3.66Å; W873-M876 HydrophobicContact CE3-SD 3.81Å; W873-M876 HydrophobicContact CZ3-CE 3.78Å; W873-M876 HydrophobicContact CZ3-SD 3.57Å; W873-M876 VanDerWaalsContact CZ3-SD 3.57Å; W873-M876 PolarHBondContact O-N 2.95Å; W873-W877 PolarHBondContact O-N 3.44Å |
| 874 | A | 71 | Confident | 72.7 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | W858 S872 M876 W877 M878 | W858-A874 HydrophobicContact CB-CB 3.52Å; W858-A874 HydrophobicContact CG-CB 4.29Å; S872-A874 PolarHBondContact O-N 3.04Å; A874-M876 PolarHBondContact O-N 3.39Å; A874-W877 PolarHBondContact O-N 2.93Å; A874-M878 VanDerWaalsContact O-CB 3.27Å; A874-M878 WeakPolarHBondContact O-CB 3.47Å; A874-M878 VanDerWaalsContact O-CG 3.29Å; A874-M878 WeakPolarHBondContact O-CG 3.49Å; A874-M878 PolarHBondContact O-N 3.24Å |
| 875 | N | 73.8 | Confident | 74.2 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 175.6 | -166.8 | 31.6 | 0 | 0 | 0 | 112 | S276 S870 S872 K879 | S276-N875 PolarHBondContact OG-ND2 2.96Å; S870-N875 VanDerWaalsContact CA-ND2 3.32Å; S870-N875 WeakPolarHBondContact CA-ND2 3.47Å; S870-N875 PolarHBondContact O-ND2 3.39Å; S872-N875 PolarHBondContact O-N 2.87Å; S872-N875 VanDerWaalsContact O-N 3.09Å; S872-N875 PolarHBondContact OG-N 2.99Å; N875-K879 PolarHBondContact ND2-NZ 2.67Å; N875-K879 VanDerWaalsContact ND2-NZ 3.12Å; N875-K879 WeakPolarHBondContact O-CB 3.17Å; N875-K879 WeakPolarHBondContact O-CD 3.33Å; N875-K879 VanDerWaalsContact O-CG 3.28Å; N875-K879 WeakPolarHBondContact O-CG 3.4Å; N875-K879 PolarHBondContact O-N 2.95Å; N875-K879 VanDerWaalsContact O-N 3.09Å; N875-K879 VanDerWaalsContact OD1-CE 3.27Å; N875-K879 WeakPolarHBondContact OD1-CE 3.42Å |
| 876 | M | 81.4 | Confident | 75.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -55.5 | 173 | -178.1 | -168.7 | 84.9 | 0 | 0 | 111.7 | L225 A273 Q277 S872 W873 A874 M878 K879 L880 | L225-M876 HydrophobicContact CD2-CE 4.22Å; A273-M876 HydrophobicContact CB-CG 3.89Å; A273-M876 VanDerWaalsContact O-CG 3.29Å; A273-M876 WeakPolarHBondContact O-CG 3.29Å; Q277-M876 HydrophobicContact CG-SD 3.7Å; Q277-M876 PolarHBondContact NE2-SD 3.22Å; Q277-M876 VanDerWaalsContact NE2-SD 3.42Å; S872-M876 PolarHBondContact O-N 3.19Å; W873-M876 HydrophobicContact CE3-CE 3.66Å; W873-M876 HydrophobicContact CE3-SD 3.81Å; W873-M876 HydrophobicContact CZ3-CE 3.78Å; W873-M876 HydrophobicContact CZ3-SD 3.57Å; W873-M876 VanDerWaalsContact CZ3-SD 3.57Å; W873-M876 PolarHBondContact O-N 2.95Å; A874-M876 PolarHBondContact O-N 3.39Å; M876-M878 VanDerWaalsContact C-N 3.3Å; M876-M878 PolarHBondContact O-N 3.47Å; M876-K879 PolarHBondContact O-N 3.2Å; M876-L880 WeakPolarHBondContact O-CB 3.38Å; M876-L880 PolarHBondContact O-N 2.82Å |
| 877 | W | 83.9 | Confident | 77.2 | Confident | 68 Ų | 68 | 31.4 Ų | 31.4 | 26% | 0.258 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.6 | -33.4 | -176.7 | -75.6 | 109.7 | 0 | 0 | 0 | 112.2 | L225 L316 W873 A874 L880 A881 W884 | L225-W877 HydrophobicContact CD1-CH2 4.36Å; L225-W877 HydrophobicContact CD1-CZ2 4.2Å; L316-W877 HydrophobicContact CD1-CH2 4.08Å; L316-W877 HydrophobicContact CD1-CZ2 3.55Å; L316-W877 HydrophobicContact CD2-CZ2 4.23Å; L316-W877 VanDerWaalsContact CD2-NE1 3.34Å; L316-W877 HydrophobicContact CG-CZ2 3.79Å; W873-W877 PolarHBondContact O-N 3.44Å; A874-W877 PolarHBondContact O-N 2.93Å; W877-L880 HydrophobicContact CE3-CD2 3.82Å; W877-L880 HydrophobicContact CH2-CD2 4.31Å; W877-L880 HydrophobicContact CZ3-CD2 3.6Å; W877-L880 PolarHBondContact O-N 3.01Å; W877-A881 WeakPolarHBondContact O-CB 3.49Å; W877-A881 PolarHBondContact O-N 3.2Å; W877-W884 HydrophobicContact CZ3-CH2 4.08Å |
| 878 | M | 79.7 | Confident | 78.8 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 16% | 0.158 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 170.6 | -84.2 | -56.2 | -49.4 | 0 | 0 | 112.5 | I160 W858 A874 M876 L880 S882 | I160-M878 HydrophobicContact CB-CE 4.31Å; I160-M878 HydrophobicContact CD1-SD 4.24Å; I160-M878 HydrophobicContact CG1-CE 3.61Å; I160-M878 HydrophobicContact CG1-SD 3.52Å; I160-M878 VanDerWaalsContact CG1-SD 3.52Å; W858-M878 HydrophobicContact CD2-CG 4.05Å; W858-M878 HydrophobicContact CE3-CG 3.84Å; W858-M878 HydrophobicContact CE3-SD 4.29Å; W858-M878 HydrophobicContact CH2-CE 3.64Å; W858-M878 HydrophobicContact CH2-CG 3.8Å; W858-M878 HydrophobicContact CH2-SD 3.78Å; W858-M878 HydrophobicContact CZ2-CE 4.24Å; W858-M878 HydrophobicContact CZ2-CG 3.97Å; W858-M878 HydrophobicContact CZ3-CE 4.13Å; W858-M878 HydrophobicContact CZ3-CG 3.72Å; W858-M878 HydrophobicContact CZ3-SD 3.65Å; A874-M878 VanDerWaalsContact O-CB 3.27Å; A874-M878 WeakPolarHBondContact O-CB 3.47Å; A874-M878 VanDerWaalsContact O-CG 3.29Å; A874-M878 WeakPolarHBondContact O-CG 3.49Å; A874-M878 PolarHBondContact O-N 3.24Å; M876-M878 VanDerWaalsContact C-N 3.3Å; M876-M878 PolarHBondContact O-N 3.47Å; M878-L880 VanDerWaalsContact C-N 3.35Å; M878-L880 PolarHBondContact O-N 3.17Å; M878-S882 WeakPolarHBondContact O-CB 3.32Å; M878-S882 PolarHBondContact O-N 2.79Å; M878-S882 VanDerWaalsContact O-N 3.1Å; M878-S882 PolarHBondContact O-OG 2.76Å |
| 879 | K | 82.7 | Confident | 79.9 | Confident | 43 Ų | 43 | 32.7 Ų | 32.7 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -37.2 | 178.5 | -71.2 | 166 | 174 | 175.1 | 0 | 112.1 | S272 A273 S276 N875 M876 S882 S883 | S272-K879 VanDerWaalsContact O-CD 3.24Å; S272-K879 WeakPolarHBondContact O-CD 3.16Å; S272-K879 PolarHBondContact O-NZ 3.39Å; A273-K879 HydrophobicContact CB-CB 3.87Å; S276-K879 PolarHBondContact OG-NZ 3.19Å; N875-K879 PolarHBondContact ND2-NZ 2.67Å; N875-K879 VanDerWaalsContact ND2-NZ 3.12Å; N875-K879 WeakPolarHBondContact O-CB 3.17Å; N875-K879 WeakPolarHBondContact O-CD 3.33Å; N875-K879 VanDerWaalsContact O-CG 3.28Å; N875-K879 WeakPolarHBondContact O-CG 3.4Å; N875-K879 PolarHBondContact O-N 2.95Å; N875-K879 VanDerWaalsContact O-N 3.09Å; N875-K879 VanDerWaalsContact OD1-CE 3.27Å; N875-K879 WeakPolarHBondContact OD1-CE 3.42Å; M876-K879 PolarHBondContact O-N 3.2Å; K879-S882 WeakPolarHBondContact O-CB 3.14Å; K879-S882 PolarHBondContact O-N 2.92Å; K879-S883 PolarHBondContact O-N 2.74Å |
| 880 | L | 87.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.7 | -46.2 | 177.3 | -179 | 54.5 | 0 | 0 | 0 | 112.8 | V229 N233 M876 W877 M878 S882 S883 W884 | V229-L880 HydrophobicContact CB-CD2 4.47Å; V229-L880 HydrophobicContact CG1-CD1 3.69Å; V229-L880 HydrophobicContact CG1-CD2 3.95Å; V229-L880 HydrophobicContact CG1-CG 4.46Å; V229-L880 HydrophobicContact CG2-CD2 3.64Å; N233-L880 VanDerWaalsContact ND2-CD1 3.35Å; N233-L880 WeakPolarHBondContact ND2-CD1 3.4Å; M876-L880 WeakPolarHBondContact O-CB 3.38Å; M876-L880 PolarHBondContact O-N 2.82Å; W877-L880 HydrophobicContact CE3-CD2 3.82Å; W877-L880 HydrophobicContact CH2-CD2 4.31Å; W877-L880 HydrophobicContact CZ3-CD2 3.6Å; W877-L880 PolarHBondContact O-N 3.01Å; M878-L880 VanDerWaalsContact C-N 3.35Å; M878-L880 PolarHBondContact O-N 3.17Å; L880-S882 PolarHBondContact O-N 3.19Å; L880-S883 PolarHBondContact O-N 3.28Å; L880-S883 VanDerWaalsContact O-N 3.08Å; L880-S883 PolarHBondContact O-OG 3.08Å; L880-S883 VanDerWaalsContact O-OG 3.07Å; L880-W884 HydrophobicContact CD1-CD2 4.37Å; L880-W884 HydrophobicContact CD1-CZ2 3.9Å; L880-W884 HydrophobicContact CD2-CH2 4.14Å; L880-W884 HydrophobicContact CD2-CZ2 3.79Å; L880-W884 HydrophobicContact CG-CD2 4.28Å; L880-W884 HydrophobicContact CG-CH2 4.18Å; L880-W884 HydrophobicContact CG-CZ2 3.7Å; L880-W884 PolarHBondContact O-N 3.15Å |
| 881 | A | 86.3 | Confident | 82.6 | Confident | 51 Ų | 51 | 30.9 Ų | 30.9 | 42% | 0.421 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59 | -32.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W877 L885 | W877-A881 WeakPolarHBondContact O-CB 3.49Å; W877-A881 PolarHBondContact O-N 3.2Å; A881-L885 WeakPolarHBondContact O-CB 3.13Å; A881-L885 PolarHBondContact O-N 3.12Å |
| 882 | S | 83.3 | Confident | 83.3 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.6 | -33.2 | 176 | -53.2 | 0 | 0 | 0 | 0 | 113 | V163 H167 M878 K879 L880 L885 A886 | V163-S882 WeakPolarHBondContact CG1-OG 3.09Å; H167-S882 WeakPolarHBondContact NE2-CB 3.36Å; M878-S882 WeakPolarHBondContact O-CB 3.32Å; M878-S882 PolarHBondContact O-N 2.79Å; M878-S882 VanDerWaalsContact O-N 3.1Å; M878-S882 PolarHBondContact O-OG 2.76Å; K879-S882 WeakPolarHBondContact O-CB 3.14Å; K879-S882 PolarHBondContact O-N 2.92Å; L880-S882 PolarHBondContact O-N 3.19Å; S882-L885 WeakPolarHBondContact O-CB 3.25Å; S882-L885 PolarHBondContact O-N 2.91Å; S882-A886 PolarHBondContact O-N 3.13Å |
| 883 | S | 89.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | 172.7 | 90.1 | 0 | 0 | 0 | 0 | 111.3 | N233 K879 L880 A886 L887 | N233-S883 PolarHBondContact ND2-OG 3.43Å; K879-S883 PolarHBondContact O-N 2.74Å; L880-S883 PolarHBondContact O-N 3.28Å; L880-S883 VanDerWaalsContact O-N 3.08Å; L880-S883 PolarHBondContact O-OG 3.08Å; L880-S883 VanDerWaalsContact O-OG 3.07Å; S883-A886 PolarHBondContact O-N 3.17Å; S883-L887 WeakPolarHBondContact O-CG 3.33Å; S883-L887 PolarHBondContact O-N 3.41Å |
| 884 | W | 91 | Very high | 84 | Confident | 96 Ų | 96 | 36.1 Ų | 36.1 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 171.7 | -64.4 | -14.8 | 0 | 0 | 0 | 112.5 | N233 W877 L880 L887 I888 | N233-W884 PolarHBondContact OD1-NE1 2.9Å; W877-W884 HydrophobicContact CZ3-CH2 4.08Å; L880-W884 HydrophobicContact CD1-CD2 4.37Å; L880-W884 HydrophobicContact CD1-CZ2 3.9Å; L880-W884 HydrophobicContact CD2-CH2 4.14Å; L880-W884 HydrophobicContact CD2-CZ2 3.79Å; L880-W884 HydrophobicContact CG-CD2 4.28Å; L880-W884 HydrophobicContact CG-CH2 4.18Å; L880-W884 HydrophobicContact CG-CZ2 3.7Å; L880-W884 PolarHBondContact O-N 3.15Å; W884-L887 WeakPolarHBondContact O-CB 3.08Å; W884-L887 PolarHBondContact O-N 3.49Å; W884-I888 VanDerWaalsContact O-CG1 3.28Å; W884-I888 WeakPolarHBondContact O-CG1 3.44Å; W884-I888 PolarHBondContact O-N 2.88Å |
| 885 | L | 86.6 | Confident | 84.5 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 170.9 | 171.7 | 66 | 0 | 0 | 0 | 111.7 | Y164 H167 A881 S882 L887 I888 L889 | Y164-L885 HydrophobicContact CD2-CD1 3.88Å; Y164-L885 HydrophobicContact CD2-CD2 3.4Å; Y164-L885 VanDerWaalsContact CD2-CD2 3.4Å; Y164-L885 HydrophobicContact CD2-CG 4.29Å; Y164-L885 HydrophobicContact CE2-CD1 3.58Å; Y164-L885 HydrophobicContact CE2-CD2 3.99Å; Y164-L885 HydrophobicContact CE2-CG 4.43Å; Y164-L885 HydrophobicContact CG-CD2 4.1Å; H167-L885 HydrophobicContact CB-CD2 4.28Å; A881-L885 WeakPolarHBondContact O-CB 3.13Å; A881-L885 PolarHBondContact O-N 3.12Å; S882-L885 WeakPolarHBondContact O-CB 3.25Å; S882-L885 PolarHBondContact O-N 2.91Å; L885-L887 VanDerWaalsContact C-N 3.33Å; L885-L887 PolarHBondContact O-N 3.01Å; L885-I888 PolarHBondContact O-N 3.45Å; L885-L889 HydrophobicContact CD1-CD1 4.19Å; L885-L889 HydrophobicContact CD1-CG 4.32Å; L885-L889 HydrophobicContact CG-CD1 4.18Å; L885-L889 WeakPolarHBondContact O-CG 3.46Å; L885-L889 PolarHBondContact O-N 3.31Å |
| 886 | A | 86.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | T262 V266 S882 S883 L889 Y890 | T262-A886 HydrophobicContact CG2-CB 4.32Å; V266-A886 HydrophobicContact CG2-CB 3.78Å; S882-A886 PolarHBondContact O-N 3.13Å; S883-A886 PolarHBondContact O-N 3.17Å; A886-L889 PolarHBondContact O-N 2.8Å; A886-Y890 WeakPolarHBondContact O-CB 3.14Å; A886-Y890 PolarHBondContact O-N 3.07Å |
| 887 | L | 90.2 | Very high | 83.8 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 171.9 | -77 | 170.2 | 0 | 0 | 0 | 112.7 | L236 T237 F240 V266 S883 W884 L885 L889 Y890 A891 | L236-L887 HydrophobicContact CB-CD1 3.92Å; L236-L887 HydrophobicContact CB-CD2 3.91Å; L236-L887 HydrophobicContact CB-CG 4.49Å; L236-L887 HydrophobicContact CD1-CD1 3.98Å; T237-L887 HydrophobicContact CG2-CD2 3.71Å; F240-L887 HydrophobicContact CD2-CD2 3.81Å; F240-L887 HydrophobicContact CE2-CB 4.15Å; F240-L887 HydrophobicContact CE2-CD2 3.9Å; F240-L887 WeakPolarHBondContact CE2-O 3.21Å; V266-L887 HydrophobicContact CG1-CD1 3.93Å; V266-L887 HydrophobicContact CG1-CD2 4.23Å; V266-L887 HydrophobicContact CG1-CG 3.9Å; V266-L887 HydrophobicContact CG2-CD2 4.31Å; V266-L887 HydrophobicContact CG2-CG 4.04Å; S883-L887 WeakPolarHBondContact O-CG 3.33Å; S883-L887 PolarHBondContact O-N 3.41Å; W884-L887 WeakPolarHBondContact O-CB 3.08Å; W884-L887 PolarHBondContact O-N 3.49Å; L885-L887 VanDerWaalsContact C-N 3.33Å; L885-L887 PolarHBondContact O-N 3.01Å; L887-L889 VanDerWaalsContact C-N 3.34Å; L887-Y890 PolarHBondContact O-N 3.06Å; L887-A891 WeakPolarHBondContact O-CB 3.26Å; L887-A891 PolarHBondContact O-N 3.49Å |
| 888 | I | 89.1 | Confident | 82.9 | Confident | 116 Ų | 116 | 41.2 Ų | 41.2 | 60% | 0.595 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.8 | -40.6 | 174.6 | -70.8 | 163.1 | 0 | 0 | 0 | 110.8 | W884 L885 A891 W892 | W884-I888 VanDerWaalsContact O-CG1 3.28Å; W884-I888 WeakPolarHBondContact O-CG1 3.44Å; W884-I888 PolarHBondContact O-N 2.88Å; L885-I888 PolarHBondContact O-N 3.45Å; I888-A891 PolarHBondContact O-N 2.88Å; I888-W892 VanDerWaalsContact O-CB 3.32Å; I888-W892 WeakPolarHBondContact O-CB 3.14Å; I888-W892 PolarHBondContact O-N 3.11Å |
| 889 | L | 83 | Confident | 82.3 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -36 | 175.2 | -70.4 | 172.2 | 0 | 0 | 0 | 112 | I168 I171 L885 A886 L887 W892 T893 | I168-L889 HydrophobicContact CG1-CD1 4Å; I171-L889 HydrophobicContact CD1-CB 3.98Å; I171-L889 HydrophobicContact CD1-CD1 3.72Å; L885-L889 HydrophobicContact CD1-CD1 4.19Å; L885-L889 HydrophobicContact CD1-CG 4.32Å; L885-L889 HydrophobicContact CG-CD1 4.18Å; L885-L889 WeakPolarHBondContact O-CG 3.46Å; L885-L889 PolarHBondContact O-N 3.31Å; A886-L889 PolarHBondContact O-N 2.8Å; L887-L889 VanDerWaalsContact C-N 3.34Å; L889-W892 PolarHBondContact O-N 3.44Å; L889-T893 WeakPolarHBondContact O-CG2 3.33Å; L889-T893 PolarHBondContact O-N 3.12Å; L889-T893 PolarHBondContact O-OG1 3.47Å |
| 890 | Y | 86.4 | Confident | 81.1 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.5 | -45.9 | 173.9 | -168 | -173 | 0 | 0 | 0 | 111.8 | Y203 F240 S244 T262 A886 L887 W892 T893 I894 | Y203-Y890 PolarHBondContact OH-OH 2.92Å; F240-Y890 HydrophobicContact CB-CD1 3.68Å; F240-Y890 HydrophobicContact CB-CE1 3.55Å; F240-Y890 HydrophobicContact CB-CE2 4.4Å; F240-Y890 HydrophobicContact CB-CG 4.16Å; F240-Y890 HydrophobicContact CD2-CD1 4.1Å; F240-Y890 HydrophobicContact CD2-CG 4.37Å; F240-Y890 HydrophobicContact CG-CD1 4.36Å; F240-Y890 PolarHBondContact O-OH 3.35Å; S244-Y890 WeakPolarHBondContact OG-CE2 3.42Å; S244-Y890 PolarHBondContact OG-OH 2.94Å; T262-Y890 HydrophobicContact CG2-CD1 4.31Å; T262-Y890 HydrophobicContact CG2-CG 4.34Å; A886-Y890 WeakPolarHBondContact O-CB 3.14Å; A886-Y890 PolarHBondContact O-N 3.07Å; L887-Y890 PolarHBondContact O-N 3.06Å; Y890-W892 PolarHBondContact O-N 3.27Å; Y890-T893 PolarHBondContact O-N 2.9Å; Y890-T893 VanDerWaalsContact O-N 3.13Å; Y890-T893 PolarHBondContact O-OG1 2.03Å; Y890-I894 HydrophobicContact CD2-CD1 3.9Å; Y890-I894 HydrophobicContact CD2-CG1 4.1Å; Y890-I894 HydrophobicContact CE2-CD1 3.69Å; Y890-I894 HydrophobicContact CE2-CG1 3.99Å; Y890-I894 WeakPolarHBondContact O-CG1 3.5Å; Y890-I894 PolarHBondContact O-N 3.11Å; Y890-I894 VanDerWaalsContact O-N 3.1Å |
| 891 | A | 88.1 | Confident | 79.1 | Confident | 31 Ų | 31 | 54 Ų | 54 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.8 | -43.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F240 L887 I888 I894 A895 | F240-A891 HydrophobicContact CE1-CB 4.01Å; F240-A891 HydrophobicContact CE2-CB 3.97Å; F240-A891 HydrophobicContact CZ-CB 3.65Å; L887-A891 WeakPolarHBondContact O-CB 3.26Å; L887-A891 PolarHBondContact O-N 3.49Å; I888-A891 PolarHBondContact O-N 2.88Å; A891-I894 PolarHBondContact O-N 3.46Å; A891-A895 WeakPolarHBondContact O-CB 3.17Å; A891-A895 PolarHBondContact O-N 3.01Å |
| 892 | W | 84.7 | Confident | 77.2 | Confident | 145 Ų | 145 | 55.2 Ų | 55.2 | 55% | 0.549 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 176.5 | -177.6 | -93.6 | 0 | 0 | 0 | 112.9 | I888 L889 Y890 I894 A895 C896 | I888-W892 VanDerWaalsContact O-CB 3.32Å; I888-W892 WeakPolarHBondContact O-CB 3.14Å; I888-W892 PolarHBondContact O-N 3.11Å; L889-W892 PolarHBondContact O-N 3.44Å; Y890-W892 PolarHBondContact O-N 3.27Å; W892-I894 VanDerWaalsContact C-N 3.33Å; W892-I894 PolarHBondContact O-N 2.91Å; W892-A895 PolarHBondContact O-N 3.23Å; W892-C896 HydrophobicContact CD2-CB 4.5Å; W892-C896 WeakPolarHBondContact O-CB 3.02Å; W892-C896 PolarHBondContact O-N 3.12Å |
| 893 | T | 77.3 | Confident | 75.1 | Confident | 32 Ų | 32 | 65 Ų | 65 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.7 | -24.8 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | Y175 L889 Y890 P897 | Y175-T893 HydrophobicContact CE2-CG2 4.07Å; Y175-T893 WeakPolarHBondContact OH-CB 3.48Å; Y175-T893 VanDerWaalsContact OH-CG2 3.27Å; Y175-T893 WeakPolarHBondContact OH-CG2 3.48Å; Y175-T893 PolarHBondContact OH-OG1 3.01Å; L889-T893 WeakPolarHBondContact O-CG2 3.33Å; L889-T893 PolarHBondContact O-N 3.12Å; L889-T893 PolarHBondContact O-OG1 3.47Å; Y890-T893 PolarHBondContact O-N 2.9Å; Y890-T893 VanDerWaalsContact O-N 3.13Å; Y890-T893 PolarHBondContact O-OG1 2.03Å; T893-P897 WeakPolarHBondContact O-CD 3.06Å; T893-P897 WeakPolarHBondContact O-CG 3.24Å |
| 894 | I | 82.3 | Confident | 72.5 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76 | -41.7 | 168.8 | -60.4 | 168 | 0 | 0 | 0 | 111.1 | F240 C243 S244 Y890 A891 W892 | F240-I894 HydrophobicContact CB-CD1 3.76Å; F240-I894 HydrophobicContact CD1-CD1 4.35Å; F240-I894 HydrophobicContact CG-CD1 4.26Å; F240-I894 WeakPolarHBondContact O-CD1 3.42Å; C243-I894 HydrophobicContact CB-CD1 4.29Å; C243-I894 HydrophobicContact CB-CG2 4.32Å; S244-I894 WeakPolarHBondContact OG-CD1 3.37Å; Y890-I894 HydrophobicContact CD2-CD1 3.9Å; Y890-I894 HydrophobicContact CD2-CG1 4.1Å; Y890-I894 HydrophobicContact CE2-CD1 3.69Å; Y890-I894 HydrophobicContact CE2-CG1 3.99Å; Y890-I894 WeakPolarHBondContact O-CG1 3.5Å; Y890-I894 PolarHBondContact O-N 3.11Å; Y890-I894 VanDerWaalsContact O-N 3.1Å; A891-I894 PolarHBondContact O-N 3.46Å; W892-I894 VanDerWaalsContact C-N 3.33Å; W892-I894 PolarHBondContact O-N 2.91Å |
| 895 | A | 81 | Confident | 70 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -82.4 | -37 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A891 W892 R898 L899 | A891-A895 WeakPolarHBondContact O-CB 3.17Å; A891-A895 PolarHBondContact O-N 3.01Å; W892-A895 PolarHBondContact O-N 3.23Å; A895-R898 WeakPolarHBondContact O-CA 3.39Å; A895-R898 WeakPolarHBondContact O-CB 3.49Å; A895-R898 PolarHBondContact O-N 3.49Å; A895-L899 HydrophobicContact CB-CD1 4.03Å; A895-L899 WeakPolarHBondContact O-CG 3Å; A895-L899 PolarHBondContact O-N 3.29Å |
| 896 | C | 73.5 | Confident | 67.5 | Low | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.1 | -42.7 | -176.2 | -172.8 | 0 | 0 | 0 | 0 | 113 | W892 R898 C900 L905 | W892-C896 HydrophobicContact CD2-CB 4.5Å; W892-C896 WeakPolarHBondContact O-CB 3.02Å; W892-C896 PolarHBondContact O-N 3.12Å; C896-R898 PolarHBondContact O-N 3.3Å; C896-C900 PolarHBondContact O-N 3.41Å; C896-L905 WeakPolarHBondContact O-CD2 3.45Å; C896-L905 VanDerWaalsContact SG-CD2 3.52Å |
| 897 | P | 66.6 | Low | 65.3 | Low | 53 Ų | 53 | 75.5 Ų | 75.5 | 34% | 0.344 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.3 | -17.5 | 173 | -19.8 | 33.3 | 0 | 0 | 0 | 115.2 | I249 T893 | I249-P897 HydrophobicContact CD1-CB 3.86Å; I249-P897 WeakPolarHBondContact CD1-O 3.46Å; I249-P897 HydrophobicContact CG2-CB 4Å; T893-P897 WeakPolarHBondContact O-CD 3.06Å; T893-P897 WeakPolarHBondContact O-CG 3.24Å |
| 898 | R | 66.2 | Low | 63 | Low | 125 Ų | 125 | 77.1 Ų | 77.1 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -91.4 | -41 | 177.7 | -70.6 | -83.1 | 179.5 | 79.6 | -6.3 | 112 | I249 A895 C896 | I249-R898 HydrophobicContact CD1-CG 4.46Å; A895-R898 WeakPolarHBondContact O-CA 3.39Å; A895-R898 WeakPolarHBondContact O-CB 3.49Å; A895-R898 PolarHBondContact O-N 3.49Å; C896-R898 PolarHBondContact O-N 3.3Å |
| 899 | L | 66.6 | Low | 60.7 | Low | 128 Ų | 128 | 76.6 Ų | 76.6 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -77.7 | -35.1 | -174.1 | -68.5 | 172.1 | 0 | 0 | 0 | 113.2 | A895 I901 | A895-L899 HydrophobicContact CB-CD1 4.03Å; A895-L899 WeakPolarHBondContact O-CG 3Å; A895-L899 PolarHBondContact O-N 3.29Å; L899-I901 VanDerWaalsContact C-N 3.27Å; L899-I901 PolarHBondContact O-N 2.78Å |
| 900 | C | 56.9 | Low | 58.9 | Low | 55 Ų | 55 | 78.6 Ų | 78.6 | 37% | 0.372 | 44% | 0.436 | S | S | . | . | trans | -88.3 | 57.1 | -173.5 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | C896 G902 L905 | C896-C900 PolarHBondContact O-N 3.41Å; C900-G902 PolarHBondContact O-N 3.11Å; C900-L905 HydrophobicContact CB-CD1 3.39Å; C900-L905 HydrophobicContact CB-CD2 3.53Å; C900-L905 HydrophobicContact CB-CG 4.05Å | ||
| 901 | I | 46.7 | Very low | 56.5 | Low | 162 Ų | 162 | 80.4 Ų | 80.4 | 83% | 0.831 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 121 | 170.7 | -58 | 172.6 | 0 | 0 | 0 | 108.8 | L899 | L899-I901 VanDerWaalsContact C-N 3.27Å; L899-I901 PolarHBondContact O-N 2.78Å |
| 902 | G | 46 | Very low | 54 | Low | 77 Ų | 77 | 81.3 Ų | 81.3 | 79% | 0.794 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.4 | -0.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | C900 | C900-G902 PolarHBondContact O-N 3.11Š|
| 903 | R | 38.5 | Very low | 51.7 | Low | 215 Ų | 215 | 83.9 Ų | 83.9 | 81% | 0.811 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -122.9 | 138.6 | 166 | -66 | -175.8 | -175.9 | 170.8 | 2.7 | 110 | L905 | R903-L905 HydrophobicContact CB-CD1 4.33Å; R903-L905 PolarHBondContact O-N 3.1Å |
| 904 | K | 35.7 | Very low | 49.6 | Very low | 163 Ų | 163 | 87.9 Ų | 87.9 | 71% | 0.709 | 49% | 0.485 | S | S | * | . | trans | -66.9 | 93.8 | -177.9 | -69.2 | -166.7 | 177.8 | -169.9 | 0 | 110.2 | G906 | K904-G906 VanDerWaalsContact C-N 3.25Å; K904-G906 PolarHBondContact O-N 3.44Å | ||
| 905 | L | 38.2 | Very low | 47.4 | Very low | 54 Ų | 54 | 91.4 Ų | 91.4 | 28% | 0.283 | 51% | 0.509 | S | S | . | . | trans | -82.4 | 30.8 | -159.3 | -136.6 | 79.2 | 0 | 0 | 0 | 117.2 | C896 C900 R903 A907 | C896-L905 WeakPolarHBondContact O-CD2 3.45Å; C896-L905 VanDerWaalsContact SG-CD2 3.52Å; C900-L905 HydrophobicContact CB-CD1 3.39Å; C900-L905 HydrophobicContact CB-CD2 3.53Å; C900-L905 HydrophobicContact CB-CG 4.05Å; R903-L905 HydrophobicContact CB-CD1 4.33Å; R903-L905 PolarHBondContact O-N 3.1Å; L905-A907 PolarHBondContact O-N 3.43Å | ||
| 906 | G | 33.6 | Very low | 45.1 | Very low | 55 Ų | 55 | 101.2 Ų | 101.2 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 34.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K904 | K904-G906 VanDerWaalsContact C-N 3.25Å; K904-G906 PolarHBondContact O-N 3.44Å |
| 907 | A | 39.9 | Very low | 43.2 | Very low | 77 Ų | 77 | 104.4 Ų | 104.4 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | 10 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L905 | L905-A907 PolarHBondContact O-N 3.43Š|
| 908 | V | 43.4 | Very low | 41.5 | Very low | 38 Ų | 38 | 110.6 Ų | 110.6 | 23% | 0.23 | 59% | 0.587 | C | S | . | * | S | Bend | trans | -59.8 | 131.7 | 156.3 | -109.4 | 0 | 0 | 0 | 0 | 107.8 | F910 T911 | V908-F910 PolarHBondContact O-N 3.25Å; V908-T911 HydrophobicContact CB-CG2 4.33Å; V908-T911 HydrophobicContact CG2-CG2 3.56Å; V908-T911 PolarHBondContact O-N 3.31Å; V908-T911 PolarHBondContact O-OG1 2.72Å |
| 909 | P | 41 | Very low | 39.9 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 68% | 0.682 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -11.2 | -169.5 | 22.9 | -32.9 | 0 | 0 | 0 | 114.8 | ||
| 910 | F | 43.6 | Very low | 38.5 | Very low | 74 Ų | 74 | 108.3 Ų | 108.3 | 33% | 0.325 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.9 | 14.9 | -176.7 | -49.8 | -57.3 | 0 | 0 | 0 | 113.6 | I168 D172 V908 | I168-F910 HydrophobicContact CD1-CZ 4.42Å; I168-F910 HydrophobicContact CG2-CD1 4.27Å; I168-F910 HydrophobicContact CG2-CE1 3.59Å; I168-F910 HydrophobicContact CG2-CE2 3.93Å; I168-F910 HydrophobicContact CG2-CZ 3.4Å; I168-F910 VanDerWaalsContact CG2-CZ 3.4Å; D172-F910 HydrophobicContact CB-CB 4.08Å; D172-F910 HydrophobicContact CB-CD1 4.2Å; D172-F910 HydrophobicContact CB-CG 4.36Å; D172-F910 WeakPolarHBondContact OD1-CA 3.26Å; D172-F910 WeakPolarHBondContact OD1-CB 3.47Å; V908-F910 PolarHBondContact O-N 3.25Å |
| 911 | T | 37 | Very low | 37.2 | Very low | 42 Ų | 42 | 114.1 Ų | 114.1 | 26% | 0.258 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -104 | 122.6 | 166.4 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | V908 R913 | V908-T911 HydrophobicContact CB-CG2 4.33Å; V908-T911 HydrophobicContact CG2-CG2 3.56Å; V908-T911 PolarHBondContact O-N 3.31Å; V908-T911 PolarHBondContact O-OG1 2.72Å; T911-R913 PolarHBondContact O-N 2.74Å |
| 912 | P | 34.8 | Very low | 36.6 | Very low | 49 Ų | 49 | 109.8 Ų | 109.8 | 32% | 0.318 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 124 | 175.1 | -16 | 28.2 | 0 | 0 | 0 | 110.6 | T914 | P912-T914 PolarHBondContact O-N 2.79Š|
| 913 | R | 36.3 | Very low | 36 | Very low | 199 Ų | 199 | 110.1 Ų | 110.1 | 75% | 0.751 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.2 | 175.5 | -60.4 | 174.9 | -171.6 | 160.7 | 3 | 109.9 | T911 | T911-R913 PolarHBondContact O-N 2.74Š|
| 914 | T | 34.6 | Very low | 35.7 | Very low | 117 Ų | 117 | 100.1 Ų | 100.1 | 72% | 0.718 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 122.1 | 140.1 | 49 | 0 | 0 | 0 | 0 | 106.6 | P912 R916 | P912-T914 PolarHBondContact O-N 2.79Å; T914-R916 VanDerWaalsContact C-N 3.26Å; T914-R916 PolarHBondContact O-N 3.04Å |
| 915 | P | 35.5 | Very low | 35.6 | Very low | 89 Ų | 89 | 94.3 Ų | 94.3 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | trans | -70.8 | 91.3 | 166 | 29.8 | -31.4 | 0 | 0 | 0 | 107.6 | E405 A917 | E405-P915 WeakPolarHBondContact OE2-CD 3.27Å; E405-P915 WeakPolarHBondContact OE2-CG 3.23Å; P915-A917 PolarHBondContact O-N 3.25Å; P915-A917 VanDerWaalsContact O-N 3.11Å | ||
| 916 | R | 33.5 | Very low | 35.3 | Very low | 240 Ų | 240 | 98.5 Ų | 98.5 | 91% | 0.906 | 54% | 0.54 | S | S | * | . | trans | -55.3 | 118 | 144.1 | -90.8 | -167.1 | 175.6 | -161.2 | -1.7 | 105 | T914 | T914-R916 VanDerWaalsContact C-N 3.26Å; T914-R916 PolarHBondContact O-N 3.04Å | ||
| 917 | A | 32 | Very low | 35.4 | Very low | 75 Ų | 75 | 100.7 Ų | 100.7 | 62% | 0.62 | 54% | 0.539 | S | S | * | . | trans | -48.1 | 150.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P915 I919 | P915-A917 PolarHBondContact O-N 3.25Å; P915-A917 VanDerWaalsContact O-N 3.11Å; A917-I919 PolarHBondContact O-N 2.9Å | ||
| 918 | K | 32.2 | Very low | 35.2 | Very low | 184 Ų | 184 | 101.9 Ų | 101.9 | 80% | 0.8 | 53% | 0.534 | S | S | * | . | trans | -66.5 | 84.2 | 151.6 | -76.4 | -176.4 | 177.9 | -179.9 | 0 | 106.4 | S920 | K918-S920 PolarHBondContact O-N 3.07Š| ||
| 919 | I | 32.9 | Very low | 34.7 | Very low | 137 Ų | 137 | 105.5 Ų | 105.5 | 70% | 0.703 | 55% | 0.551 | S | S | * | * | trans | -53.6 | 99.6 | 134.1 | -60 | 176.7 | 0 | 0 | 0 | 102.6 | A917 Q921 | A917-I919 PolarHBondContact O-N 2.9Å; I919-Q921 PolarHBondContact O-N 3.32Å | ||
| 920 | S | 36 | Very low | 34.3 | Very low | 68 Ų | 68 | 105.5 Ų | 105.5 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | trans | -64.5 | 135.1 | 172.7 | -167.6 | 0 | 0 | 0 | 0 | 105.4 | K918 T922 | K918-S920 PolarHBondContact O-N 3.07Å; S920-T922 PolarHBondContact O-N 3.11Å; S920-T922 PolarHBondContact O-OG1 2.91Å; S920-T922 PolarHBondContact OG-N 3.24Å | ||
| 921 | Q | 29.1 | Very low | 33.7 | Very low | 177 Ų | 177 | 107.5 Ų | 107.5 | 83% | 0.827 | 56% | 0.557 | S | S | * | * | trans | -79.9 | 55.2 | 156.9 | -65.4 | 169.3 | -74.8 | 0 | 0 | 107.5 | I919 M923 | I919-Q921 PolarHBondContact O-N 3.32Å; Q921-M923 PolarHBondContact O-N 3.35Å; Q921-M923 VanDerWaalsContact O-N 3.11Å | ||
| 922 | T | 35.6 | Very low | 33.5 | Very low | 71 Ų | 71 | 111.9 Ų | 111.9 | 44% | 0.436 | 58% | 0.577 | S | S | . | * | -51.3 | 107.6 | 122.5 | 33.6 | 0 | 0 | 0 | 0 | 103 | I695 S920 | I695-T922 HydrophobicContact CG2-CG2 4.03Å; S920-T922 PolarHBondContact O-N 3.11Å; S920-T922 PolarHBondContact O-OG1 2.91Å; S920-T922 PolarHBondContact OG-N 3.24Å | |||
| 923 | M | 32.5 | Very low | 33.4 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 41% | 0.414 | 60% | 0.595 | S | S | . | * | trans | -65.4 | -175.2 | 162.4 | -110.3 | -149.2 | -61.9 | 0 | 0 | 107 | I695 V696 Y700 Q921 | I695-M923 CarbonylContact C-O 3.22Å; I695-M923 WeakPolarHBondContact CG2-O 3.32Å; I695-M923 CarbonylContact O-C 3.42Å; V696-M923 HydrophobicContact CB-CB 4.39Å; V696-M923 HydrophobicContact CG1-CE 4.08Å; V696-M923 HydrophobicContact CG1-SD 4.43Å; V696-M923 HydrophobicContact CG2-CB 4Å; Y700-M923 HydrophobicContact CE2-CG 4.45Å; Y700-M923 HydrophobicContact CE2-SD 4.05Å; Q921-M923 PolarHBondContact O-N 3.35Å; Q921-M923 VanDerWaalsContact O-N 3.11Å | ||
| 924 | P | 32.1 | Very low | 33.2 | Very low | 5 Ų | 5 | 110 Ų | 110 | 3% | 0.032 | 58% | 0.583 | C | S | . | * | trans | -66.7 | -120.1 | -156.6 | 23.4 | -23.8 | 0 | 0 | 0 | 130.5 | I695 V696 N697 L699 Y700 | I695-P924 CarbonylContact C-O 3.56Å; I695-P924 WeakPolarHBondContact CA-O 3.37Å; I695-P924 VanDerWaalsContact CG2-O 3.28Å; I695-P924 WeakPolarHBondContact CG2-O 3.35Å; V696-P924 VanDerWaalsContact C-CA 3.46Å; V696-P924 VanDerWaalsContact CA-CD 3.49Å; V696-P924 PolarHBondContact N-O 2.77Å; V696-P924 WeakPolarHBondContact O-CD 3.1Å; V696-P924 WeakPolarHBondContact O-CG 3.33Å; N697-P924 WeakPolarHBondContact O-CB 3.47Å; N697-P924 WeakPolarHBondContact O-CG 3.23Å; L699-P924 VanDerWaalsContact CA-CB 3.42Å; L699-P924 HydrophobicContact CB-CB 3.69Å; L699-P924 HydrophobicContact CB-CG 4.5Å; L699-P924 HydrophobicContact CD1-CB 3.96Å; L699-P924 WeakPolarHBondContact CD1-O 3.41Å; L699-P924 HydrophobicContact CG-CB 4.41Å; Y700-P924 HydrophobicContact CD2-CG 3.75Å; Y700-P924 HydrophobicContact CG-CG 4.05Å; Y700-P924 VanDerWaalsContact N-CG 3.28Å | ||
| 925 | I | 33.3 | Very low | 33.1 | Very low | 41 Ų | 41 | 109.4 Ų | 109.4 | 21% | 0.21 | 57% | 0.572 | C | S | . | * | cis | -143.2 | 151.1 | 32.7 | -137.9 | 167.9 | 0 | 0 | 0 | 118 | K693 R694 N697 D698 | K693-I925 WeakPolarHBondContact O-CD1 3.42Å; R694-I925 HydrophobicContact CB-CD1 4.48Å; R694-I925 HydrophobicContact CB-CG2 3.96Å; R694-I925 HydrophobicContact CG-CD1 4.34Å; R694-I925 HydrophobicContact CG-CG2 4.38Å; R694-I925 WeakPolarHBondContact O-CG2 3.45Å; N697-I925 HydrophobicContact CB-CB 4.27Å; N697-I925 HydrophobicContact CB-CD1 4.47Å; N697-I925 HydrophobicContact CB-CG1 3.42Å; N697-I925 VanDerWaalsContact CB-CG1 3.42Å; N697-I925 VanDerWaalsContact CG-CG1 3.42Å; N697-I925 VanDerWaalsContact N-CG1 3.31Å; N697-I925 WeakPolarHBondContact ND2-CG1 3.44Å; D698-I925 VanDerWaalsContact CB-C 3.49Å; D698-I925 WeakPolarHBondContact CB-O 3.17Å | ||
| 926 | V | 32.6 | Very low | 32.9 | Very low | 142 Ų | 142 | 111.3 Ų | 111.3 | 86% | 0.861 | 57% | 0.571 | S | S | * | * | trans | -119.3 | 0 | 139.7 | 169.6 | 0 | 0 | 0 | 0 | 105.9 | N697 D698 L701 | N697-V926 WeakPolarHBondContact CB-O 3.22Å; N697-V926 PolarHBondContact ND2-O 3.43Å; D698-V926 HydrophobicContact CB-CG2 3.89Å; L701-V926 HydrophobicContact CD1-CG2 4.43Å |
Retrieved 926 of 926 residues in 374.2 ms
(Link to these results)