| 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 | 82.2 | Confident | 91.5 | Very high | 203 Ų | 203 | 56.3 Ų | 56.3 | 100% | 1 | 33% | 0.334 | S | S | * | . | 0 | -57.6 | 0 | -65.2 | -177.8 | 179 | 0 | 0 | 112 | N3 I4 A5 | M1-N3 PolarHBondContact O-N 3.09Å; M1-I4 WeakPolarHBondContact O-CB 3.37Å; M1-I4 PolarHBondContact O-N 3.13Å; M1-I4 VanDerWaalsContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 3.43Å; M1-A5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | V | 91.5 | Very high | 91.7 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.2 | -48.6 | -177.4 | -177 | 0 | 0 | 0 | 0 | 113.8 | I4 A5 S6 L217 A218 | V2-I4 VanDerWaalsContact C-N 3.26Å; V2-I4 PolarHBondContact O-N 3.01Å; V2-A5 PolarHBondContact O-N 3.41Å; V2-A5 VanDerWaalsContact O-N 3.16Å; V2-S6 PolarHBondContact O-N 3.26Å; V2-L217 HydrophobicContact CG1-CB 3.87Å; V2-A218 HydrophobicContact CG1-CB 4.3Å |
| 3 | N | 90 | Very high | 91.6 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.032 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.6 | -38.1 | 176.6 | -74.8 | -73.9 | 0 | 0 | 0 | 112.7 | M1 S6 V7 A44 N47 S221 | M1-N3 PolarHBondContact O-N 3.09Å; N3-S6 PolarHBondContact O-N 3.48Å; N3-V7 VanDerWaalsContact O-CG2 3.28Å; N3-V7 WeakPolarHBondContact O-CG2 3.38Å; N3-V7 PolarHBondContact O-N 3.44Å; N3-A44 HydrophobicContact CB-CB 4.27Å; N3-N47 PolarHBondContact ND2-ND2 3.37Å; N3-S221 PolarHBondContact ND2-OG 3.38Å; N3-S221 VanDerWaalsContact ND2-OG 3.08Å |
| 4 | I | 91.7 | Very high | 91.5 | Very high | 116 Ų | 116 | 59.3 Ų | 59.3 | 60% | 0.595 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | 178.9 | -59.6 | 171.4 | 0 | 0 | 0 | 110.6 | M1 V2 S6 V7 G8 | M1-I4 WeakPolarHBondContact O-CB 3.37Å; M1-I4 PolarHBondContact O-N 3.13Å; M1-I4 VanDerWaalsContact O-N 3.09Å; V2-I4 VanDerWaalsContact C-N 3.26Å; V2-I4 PolarHBondContact O-N 3.01Å; I4-S6 VanDerWaalsContact C-N 3.34Å; I4-S6 PolarHBondContact O-N 3.2Å; I4-V7 PolarHBondContact O-N 2.99Å; I4-G8 PolarHBondContact O-N 3.04Å |
| 5 | A | 92.7 | Very high | 91.5 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 V2 G8 C9 | M1-A5 PolarHBondContact O-N 3.43Å; M1-A5 VanDerWaalsContact O-N 3.09Å; V2-A5 PolarHBondContact O-N 3.41Å; V2-A5 VanDerWaalsContact O-N 3.16Å; A5-G8 PolarHBondContact O-N 3.06Å; A5-C9 WeakPolarHBondContact O-CB 3.44Å; A5-C9 PolarHBondContact O-N 3.34Å |
| 6 | S | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 174.9 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | V2 N3 I4 C9 G10 S40 | V2-S6 PolarHBondContact O-N 3.26Å; N3-S6 PolarHBondContact O-N 3.48Å; I4-S6 VanDerWaalsContact C-N 3.34Å; I4-S6 PolarHBondContact O-N 3.2Å; S6-C9 PolarHBondContact O-N 3.1Å; S6-G10 PolarHBondContact O-N 2.93Å; S6-S40 WeakPolarHBondContact CB-OG 3.42Å; S6-S40 PolarHBondContact OG-OG 2.79Å |
| 7 | V | 94.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 173.4 | 171 | 0 | 0 | 0 | 0 | 111.2 | N3 I4 G10 L11 F37 S40 F41 | N3-V7 VanDerWaalsContact O-CG2 3.28Å; N3-V7 WeakPolarHBondContact O-CG2 3.38Å; N3-V7 PolarHBondContact O-N 3.44Å; I4-V7 PolarHBondContact O-N 2.99Å; V7-G10 PolarHBondContact O-N 2.72Å; V7-L11 VanDerWaalsContact O-CB 3.28Å; V7-L11 WeakPolarHBondContact O-CB 3.43Å; V7-L11 PolarHBondContact O-N 3.22Å; V7-F37 HydrophobicContact CG1-CD2 4.09Å; V7-F37 HydrophobicContact CG1-CE2 3.78Å; V7-S40 VanDerWaalsContact CG2-C 3.44Å; V7-F41 HydrophobicContact CG2-CB 3.99Å; V7-F41 VanDerWaalsContact CG2-N 3.3Å |
| 8 | G | 93.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 63.9 Ų | 63.9 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I4 A5 W12 | I4-G8 PolarHBondContact O-N 3.04Å; A5-G8 PolarHBondContact O-N 3.06Å; G8-W12 WeakPolarHBondContact O-CB 3.42Å; G8-W12 PolarHBondContact O-N 3.43Å |
| 9 | C | 92.5 | Very high | 90.6 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 178 | -153 | 0 | 0 | 0 | 0 | 111.3 | A5 S6 L11 W12 V13 E211 L214 | A5-C9 WeakPolarHBondContact O-CB 3.44Å; A5-C9 PolarHBondContact O-N 3.34Å; S6-C9 PolarHBondContact O-N 3.1Å; C9-L11 PolarHBondContact O-N 3.42Å; C9-W12 WeakPolarHBondContact O-CB 3.32Å; C9-W12 PolarHBondContact O-N 3.5Å; C9-W12 VanDerWaalsContact O-N 3.15Å; C9-V13 WeakPolarHBondContact O-CG2 3.27Å; C9-V13 PolarHBondContact O-N 3.31Å; C9-E211 WeakPolarHBondContact CB-OE1 3.22Å; C9-E211 PolarHBondContact SG-OE1 2.04Å; C9-L214 HydrophobicContact CB-CD1 3.79Å |
| 10 | G | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S6 V7 W12 V13 I14 E211 | S6-G10 PolarHBondContact O-N 2.93Å; V7-G10 PolarHBondContact O-N 2.72Å; G10-W12 PolarHBondContact O-N 3.3Å; G10-V13 PolarHBondContact O-N 2.98Å; G10-I14 WeakPolarHBondContact O-CD1 3.4Å; G10-I14 VanDerWaalsContact O-CG1 3.25Å; G10-I14 WeakPolarHBondContact O-CG1 3.43Å; G10-I14 PolarHBondContact O-N 3.09Å; G10-E211 PolarHBondContact N-OE1 3.42Å |
| 11 | L | 93.8 | Very high | 90.1 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 41% | 0.414 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.1 | -176.9 | 61.1 | 0 | 0 | 0 | 111.7 | V7 C9 V13 I14 I15 F37 | V7-L11 VanDerWaalsContact O-CB 3.28Å; V7-L11 WeakPolarHBondContact O-CB 3.43Å; V7-L11 PolarHBondContact O-N 3.22Å; C9-L11 PolarHBondContact O-N 3.42Å; L11-V13 VanDerWaalsContact C-N 3.32Å; L11-V13 PolarHBondContact O-N 3.35Å; L11-I14 PolarHBondContact O-N 3.47Å; L11-I15 HydrophobicContact CD1-CD1 3.87Å; L11-I15 HydrophobicContact CD1-CG1 4.24Å; L11-I15 HydrophobicContact CG-CD1 3.84Å; L11-I15 WeakPolarHBondContact O-CG1 3.22Å; L11-I15 PolarHBondContact O-N 3.03Å; L11-F37 HydrophobicContact CB-CD2 4.1Å; L11-F37 HydrophobicContact CB-CE2 3.94Å; L11-F37 HydrophobicContact CD1-CE2 4.2Å; L11-F37 HydrophobicContact CD1-CZ 4.43Å |
| 12 | W | 93.1 | Very high | 90.2 | Very high | 175 Ų | 175 | 50.1 Ų | 50.1 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 175 | 170.2 | -97.2 | 0 | 0 | 0 | 112 | G8 C9 G10 S16 | G8-W12 WeakPolarHBondContact O-CB 3.42Å; G8-W12 PolarHBondContact O-N 3.43Å; C9-W12 WeakPolarHBondContact O-CB 3.32Å; C9-W12 PolarHBondContact O-N 3.5Å; C9-W12 VanDerWaalsContact O-N 3.15Å; G10-W12 PolarHBondContact O-N 3.3Å; W12-S16 WeakPolarHBondContact O-CB 3.34Å; W12-S16 PolarHBondContact O-N 3Å; W12-S16 PolarHBondContact O-OG 3.17Å |
| 13 | V | 90.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | C9 G10 L11 I15 S16 K17 F29 A33 V207 E211 | C9-V13 WeakPolarHBondContact O-CG2 3.27Å; C9-V13 PolarHBondContact O-N 3.31Å; G10-V13 PolarHBondContact O-N 2.98Å; L11-V13 VanDerWaalsContact C-N 3.32Å; L11-V13 PolarHBondContact O-N 3.35Å; V13-I15 PolarHBondContact O-N 3.16Å; V13-S16 PolarHBondContact O-N 3.18Å; V13-K17 HydrophobicContact CG1-CB 4.34Å; V13-K17 HydrophobicContact CG1-CG 4.16Å; V13-K17 WeakPolarHBondContact O-CA 3.47Å; V13-K17 WeakPolarHBondContact O-CB 3.39Å; V13-K17 WeakPolarHBondContact O-CG 3.39Å; V13-K17 PolarHBondContact O-N 2.93Å; V13-F29 HydrophobicContact CG1-CE1 4.23Å; V13-F29 HydrophobicContact CG1-CZ 4.21Å; V13-A33 HydrophobicContact CG1-CB 3.74Å; V13-V207 HydrophobicContact CG1-CG1 4.4Å; V13-V207 HydrophobicContact CG2-CG1 3.59Å; V13-E211 HydrophobicContact CG2-CG 4.12Å |
| 14 | I | 90.6 | Very high | 89.1 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 178.8 | -67.1 | 161.1 | 0 | 0 | 0 | 110.3 | G10 L11 R18 F34 F37 | G10-I14 WeakPolarHBondContact O-CD1 3.4Å; G10-I14 VanDerWaalsContact O-CG1 3.25Å; G10-I14 WeakPolarHBondContact O-CG1 3.43Å; G10-I14 PolarHBondContact O-N 3.09Å; L11-I14 PolarHBondContact O-N 3.47Å; I14-R18 WeakPolarHBondContact O-CB 3.29Å; I14-R18 PolarHBondContact O-N 2.9Å; I14-R18 VanDerWaalsContact O-N 3.16Å; I14-F34 HydrophobicContact CD1-CD2 4.16Å; I14-F37 HydrophobicContact CD1-CB 3.66Å; I14-F37 HydrophobicContact CD1-CD1 3.72Å; I14-F37 HydrophobicContact CD1-CD2 4.37Å; I14-F37 HydrophobicContact CD1-CE1 4.5Å; I14-F37 HydrophobicContact CD1-CG 3.65Å |
| 15 | I | 91.1 | Very high | 87.9 | Confident | 118 Ų | 118 | 50.2 Ų | 50.2 | 61% | 0.605 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.3 | -47 | -178.3 | -66.3 | 169.4 | 0 | 0 | 0 | 110.9 | L11 V13 | L11-I15 HydrophobicContact CD1-CD1 3.87Å; L11-I15 HydrophobicContact CD1-CG1 4.24Å; L11-I15 HydrophobicContact CG-CD1 3.84Å; L11-I15 WeakPolarHBondContact O-CG1 3.22Å; L11-I15 PolarHBondContact O-N 3.03Å; V13-I15 PolarHBondContact O-N 3.16Å |
| 16 | S | 88.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.2 | -28.7 | -172.1 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | W12 V13 | W12-S16 WeakPolarHBondContact O-CB 3.34Å; W12-S16 PolarHBondContact O-N 3Å; W12-S16 PolarHBondContact O-OG 3.17Å; V13-S16 PolarHBondContact O-N 3.18Å |
| 17 | K | 88.1 | Confident | 85.8 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -113.7 | -9.9 | -168.3 | -50.4 | -58.3 | 180 | -175.6 | 0 | 114.6 | V13 P19 F20 F29 H203 I204 | V13-K17 HydrophobicContact CG1-CB 4.34Å; V13-K17 HydrophobicContact CG1-CG 4.16Å; V13-K17 WeakPolarHBondContact O-CA 3.47Å; V13-K17 WeakPolarHBondContact O-CB 3.39Å; V13-K17 WeakPolarHBondContact O-CG 3.39Å; V13-K17 PolarHBondContact O-N 2.93Å; K17-P19 VanDerWaalsContact C-N 3.31Å; K17-F20 HydrophobicContact CB-CD2 4.22Å; K17-F20 HydrophobicContact CD-CD2 3.75Å; K17-F20 HydrophobicContact CD-CE2 3.82Å; K17-F20 WeakPolarHBondContact O-CB 3.41Å; K17-F20 PolarHBondContact O-N 2.93Å; K17-F29 HydrophobicContact CB-CE1 4.07Å; K17-F29 HydrophobicContact CG-CE1 4.38Å; K17-H203 WeakPolarHBondContact CE-NE2 3.11Å; K17-H203 PolarHBondContact NZ-CD2 2.85Å; K17-H203 PolarHBondContact NZ-NE2 3.12Å; K17-I204 HydrophobicContact CD-CD1 4.31Å |
| 18 | R | 85.4 | Confident | 84.8 | Confident | 174 Ų | 174 | 58.1 Ų | 58.1 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -50.9 | -41.6 | 174.4 | 178.5 | -178.9 | -166.4 | -147.1 | 3.7 | 113.8 | I14 F20 S21 | I14-R18 WeakPolarHBondContact O-CB 3.29Å; I14-R18 PolarHBondContact O-N 2.9Å; I14-R18 VanDerWaalsContact O-N 3.16Å; R18-F20 VanDerWaalsContact C-N 3.26Å; R18-F20 PolarHBondContact O-N 3.34Å; R18-S21 VanDerWaalsContact O-CB 3.31Å; R18-S21 WeakPolarHBondContact O-CB 3.35Å; R18-S21 PolarHBondContact O-N 3.4Å; R18-S21 VanDerWaalsContact O-N 3.12Å; R18-S21 PolarHBondContact O-OG 3.19Å |
| 19 | P | 85.9 | Confident | 84 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -59.2 | -37.1 | 177.9 | -24.9 | 35.6 | 0 | 0 | 0 | 112.8 | K17 S21 A22 A118 M121 | K17-P19 VanDerWaalsContact C-N 3.31Å; P19-S21 PolarHBondContact O-N 3.37Å; P19-A22 PolarHBondContact O-N 3.43Å; P19-A118 VanDerWaalsContact O-CB 3.24Å; P19-A118 WeakPolarHBondContact O-CB 3.34Å; P19-M121 HydrophobicContact CB-SD 3.49Å; P19-M121 WeakPolarHBondContact CB-SD 3.42Å; P19-M121 HydrophobicContact CG-CE 4.36Å; P19-M121 HydrophobicContact CG-SD 3.56Å; P19-M121 VanDerWaalsContact CG-SD 3.56Å |
| 20 | F | 86.1 | Confident | 83.5 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -69.6 | -12.2 | -179.8 | -55.1 | -56.1 | 0 | 0 | 0 | 114.1 | K17 R18 A22 L23 F24 A118 M121 L122 Q125 F200 | K17-F20 HydrophobicContact CB-CD2 4.22Å; K17-F20 HydrophobicContact CD-CD2 3.75Å; K17-F20 HydrophobicContact CD-CE2 3.82Å; K17-F20 WeakPolarHBondContact O-CB 3.41Å; K17-F20 PolarHBondContact O-N 2.93Å; R18-F20 VanDerWaalsContact C-N 3.26Å; R18-F20 PolarHBondContact O-N 3.34Å; F20-A22 PolarHBondContact O-N 2.85Å; F20-A22 VanDerWaalsContact O-N 3.11Å; F20-L23 HydrophobicContact CB-CD1 4.41Å; F20-L23 HydrophobicContact CD1-CD1 3.97Å; F20-L23 WeakPolarHBondContact O-CB 3.29Å; F20-L23 PolarHBondContact O-N 3.28Å; F20-F24 HydrophobicContact CB-CE2 4.21Å; F20-F24 WeakPolarHBondContact O-CD2 3.48Å; F20-A118 WeakPolarHBondContact CE1-O 3.49Å; F20-M121 HydrophobicContact CE1-CB 3.97Å; F20-M121 HydrophobicContact CZ-CB 4.16Å; F20-L122 HydrophobicContact CD1-CB 4.36Å; F20-L122 HydrophobicContact CD1-CD1 4.44Å; F20-L122 HydrophobicContact CE1-CB 3.8Å; F20-L122 HydrophobicContact CE1-CD1 4.15Å; F20-Q125 VanDerWaalsContact CZ-OE1 3.24Å; F20-F200 HydrophobicContact CB-CE2 4.42Å; F20-F200 HydrophobicContact CB-CZ 3.95Å; F20-F200 HydrophobicContact CD1-CE2 4.32Å; F20-F200 HydrophobicContact CD1-CZ 4.31Å; F20-F200 HydrophobicContact CD2-CE2 4.18Å; F20-F200 HydrophobicContact CG-CE2 4.04Å; F20-F200 HydrophobicContact CG-CZ 4.02Å |
| 21 | S | 84.8 | Confident | 83.2 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -59 | -22.4 | 175.9 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | R18 P19 L23 | R18-S21 VanDerWaalsContact O-CB 3.31Å; R18-S21 WeakPolarHBondContact O-CB 3.35Å; R18-S21 PolarHBondContact O-N 3.4Å; R18-S21 VanDerWaalsContact O-N 3.12Å; R18-S21 PolarHBondContact O-OG 3.19Å; P19-S21 PolarHBondContact O-N 3.37Å; S21-L23 PolarHBondContact O-N 3.38Å |
| 22 | A | 84.6 | Confident | 82.9 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -72.6 | -16.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P19 F20 A114 I115 A118 | P19-A22 PolarHBondContact O-N 3.43Å; F20-A22 PolarHBondContact O-N 2.85Å; F20-A22 VanDerWaalsContact O-N 3.11Å; A22-A114 HydrophobicContact CB-CB 4.1Å; A22-I115 HydrophobicContact CB-CG1 4.06Å; A22-A118 HydrophobicContact CB-CB 4.36Å |
| 23 | L | 82.2 | Confident | 82.7 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -88.2 | -18.3 | -179 | -60.9 | 172.7 | 0 | 0 | 0 | 113.4 | F20 S21 A102 I115 A118 L119 L122 F200 | F20-L23 HydrophobicContact CB-CD1 4.41Å; F20-L23 HydrophobicContact CD1-CD1 3.97Å; F20-L23 WeakPolarHBondContact O-CB 3.29Å; F20-L23 PolarHBondContact O-N 3.28Å; S21-L23 PolarHBondContact O-N 3.38Å; L23-A102 HydrophobicContact CD2-CB 4.31Å; L23-I115 HydrophobicContact CD2-CG2 4.26Å; L23-A118 HydrophobicContact CD1-CB 4.07Å; L23-A118 HydrophobicContact CD2-CB 4.05Å; L23-A118 HydrophobicContact CG-CB 3.79Å; L23-L119 HydrophobicContact CD2-CD2 3.79Å; L23-L119 HydrophobicContact CD2-CG 3.76Å; L23-L122 HydrophobicContact CD1-CD2 4.31Å; L23-F200 HydrophobicContact CD1-CE1 4.44Å |
| 24 | F | 76.1 | Confident | 82.7 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -115 | 128.1 | -174.7 | -54.4 | -87.1 | 0 | 0 | 0 | 110.5 | F20 P26 L90 L95 F200 I204 | F20-F24 HydrophobicContact CB-CE2 4.21Å; F20-F24 WeakPolarHBondContact O-CD2 3.48Å; F24-P26 CarbonylContact O-C 3.57Å; F24-L90 HydrophobicContact CD1-CD2 4.09Å; F24-L90 HydrophobicContact CE1-CD2 3.75Å; F24-L95 HydrophobicContact CD1-CD1 3.46Å; F24-L95 VanDerWaalsContact CD1-CD1 3.46Å; F24-L95 HydrophobicContact CE1-CD1 3.14Å; F24-L95 HydrophobicContact CE1-CD2 3.87Å; F24-L95 HydrophobicContact CE1-CG 4.1Å; F24-L95 HydrophobicContact CZ-CD1 4.14Å; F24-F200 AromaticContact CE1-CE1 3.93Å; F24-F200 HydrophobicContact CE1-CE1 3.93Å; F24-F200 HydrophobicContact CE1-CZ 4.49Å; F24-F200 AromaticContact CE2-CE1 3.69Å; F24-F200 HydrophobicContact CE2-CE1 3.69Å; F24-F200 AromaticContact CE2-CZ 3.51Å; F24-F200 HydrophobicContact CE2-CZ 3.51Å; F24-F200 HydrophobicContact CZ-CD1 4.18Å; F24-F200 AromaticContact CZ-CE1 3.11Å; F24-F200 HydrophobicContact CZ-CE1 3.11Å; F24-F200 AromaticContact CZ-CZ 3.32Å; F24-F200 HydrophobicContact CZ-CZ 3.32Å; F24-I204 HydrophobicContact CZ-CG1 4.49Å |
| 25 | E | 67.5 | Low | 82.9 | Confident | 157 Ų | 157 | 56.7 Ų | 56.7 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -120.3 | 121.9 | 166.1 | -151.1 | 139.3 | -134.8 | 0 | 0 | 108.1 | Q98 | E25-Q98 PolarHBondContact O-NE2 3.1Š|
| 26 | P | 67.1 | Low | 82.9 | Confident | 74 Ų | 74 | 51.2 Ų | 51.2 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | S | Bend | cis | -77.5 | 160.1 | 0.1 | 32.3 | -35.2 | 0 | 0 | 0 | 114.3 | F24 L28 | F24-P26 CarbonylContact O-C 3.57Å; P26-L28 HydrophobicContact CG-CB 4.3Å; P26-L28 PolarHBondContact O-N 3.44Å |
| 27 | K | 71.9 | Confident | 83.2 | Confident | 119 Ų | 119 | 52 Ų | 52 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 18.2 | 178.2 | -63.6 | 179.9 | -177.8 | 174.4 | 0 | 115.3 | F29 V30 D31 | K27-F29 PolarHBondContact O-N 3.34Å; K27-V30 PolarHBondContact O-N 3.4Å; K27-V30 VanDerWaalsContact O-N 3.14Å; K27-D31 PolarHBondContact O-N 2.97Å |
| 28 | L | 75 | Confident | 83.5 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54 | -33.4 | -170.5 | -170.2 | 66.5 | 0 | 0 | 0 | 113.2 | P26 D31 V32 F86 Q89 | P26-L28 HydrophobicContact CG-CB 4.3Å; P26-L28 PolarHBondContact O-N 3.44Å; L28-D31 PolarHBondContact O-N 2.9Å; L28-V32 HydrophobicContact CD1-CG2 4.25Å; L28-V32 HydrophobicContact CG-CG2 4.22Å; L28-V32 WeakPolarHBondContact O-CB 3.41Å; L28-V32 WeakPolarHBondContact O-CG2 3.4Å; L28-V32 PolarHBondContact O-N 3.48Å; L28-F86 HydrophobicContact CD2-CD2 4.44Å; L28-Q89 VanDerWaalsContact CD2-OE1 3.26Å |
| 29 | F | 77.1 | Confident | 84.1 | Confident | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -51.3 | 179.4 | -176.4 | -116.6 | 0 | 0 | 0 | 113.3 | V13 K17 K27 D31 V32 A33 F86 I204 V207 A208 | V13-F29 HydrophobicContact CG1-CE1 4.23Å; V13-F29 HydrophobicContact CG1-CZ 4.21Å; K17-F29 HydrophobicContact CB-CE1 4.07Å; K17-F29 HydrophobicContact CG-CE1 4.38Å; K27-F29 PolarHBondContact O-N 3.34Å; F29-D31 VanDerWaalsContact C-N 3.32Å; F29-V32 PolarHBondContact O-N 3.25Å; F29-A33 WeakPolarHBondContact O-CB 3.23Å; F29-A33 PolarHBondContact O-N 3.47Å; F29-F86 HydrophobicContact CB-CD2 4.4Å; F29-F86 HydrophobicContact CB-CE1 3.89Å; F29-F86 HydrophobicContact CB-CE2 3.7Å; F29-F86 HydrophobicContact CB-CZ 3.42Å; F29-F86 VanDerWaalsContact CB-CZ 3.42Å; F29-F86 AromaticContact CD2-CD1 3.62Å; F29-F86 HydrophobicContact CD2-CD1 3.62Å; F29-F86 AromaticContact CD2-CE1 3.17Å; F29-F86 HydrophobicContact CD2-CE1 3.17Å; F29-F86 HydrophobicContact CD2-CE2 4.47Å; F29-F86 HydrophobicContact CD2-CG 4.41Å; F29-F86 AromaticContact CD2-CZ 3.69Å; F29-F86 HydrophobicContact CD2-CZ 3.69Å; F29-F86 HydrophobicContact CE2-CD1 4.33Å; F29-F86 AromaticContact CE2-CE1 3.95Å; F29-F86 HydrophobicContact CE2-CE1 3.95Å; F29-F86 AromaticContact CG-CE1 3.77Å; F29-F86 HydrophobicContact CG-CE1 3.77Å; F29-F86 HydrophobicContact CG-CE2 4.49Å; F29-F86 AromaticContact CG-CZ 3.79Å; F29-F86 HydrophobicContact CG-CZ 3.79Å; F29-I204 HydrophobicContact CD2-CG2 4.25Å; F29-I204 HydrophobicContact CE1-CD1 4.01Å; F29-I204 HydrophobicContact CE1-CG2 4.48Å; F29-I204 HydrophobicContact CE2-CG2 3.94Å; F29-I204 HydrophobicContact CZ-CD1 4.15Å; F29-I204 HydrophobicContact CZ-CG2 4.06Å; F29-V207 HydrophobicContact CZ-CG1 4.16Å; F29-A208 HydrophobicContact CE2-CB 4.12Å |
| 30 | V | 81.3 | Confident | 84.5 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.4 | -33 | -176.3 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | K27 A33 F34 | K27-V30 PolarHBondContact O-N 3.4Å; K27-V30 VanDerWaalsContact O-N 3.14Å; V30-A33 PolarHBondContact O-N 3.2Å; V30-F34 VanDerWaalsContact O-CB 3.28Å; V30-F34 WeakPolarHBondContact O-CB 3.39Å; V30-F34 PolarHBondContact O-N 3.47Å |
| 31 | D | 86 | Confident | 85 | Confident | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.4 | -62.4 | -24.7 | 0 | 0 | 0 | 111.5 | K27 L28 F29 F34 L35 | K27-D31 PolarHBondContact O-N 2.97Å; L28-D31 PolarHBondContact O-N 2.9Å; F29-D31 VanDerWaalsContact C-N 3.32Å; D31-F34 PolarHBondContact O-N 2.93Å; D31-L35 WeakPolarHBondContact O-CB 3.45Å; D31-L35 PolarHBondContact O-N 3.02Å |
| 32 | V | 87.2 | Confident | 85.5 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 9% | 0.085 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | L28 F29 F34 L35 L36 M82 | L28-V32 HydrophobicContact CD1-CG2 4.25Å; L28-V32 HydrophobicContact CG-CG2 4.22Å; L28-V32 WeakPolarHBondContact O-CB 3.41Å; L28-V32 WeakPolarHBondContact O-CG2 3.4Å; L28-V32 PolarHBondContact O-N 3.48Å; F29-V32 PolarHBondContact O-N 3.25Å; V32-F34 PolarHBondContact O-N 3.06Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-L36 HydrophobicContact CG1-CD1 4.23Å; V32-L36 PolarHBondContact O-N 2.8Å; V32-M82 HydrophobicContact CG1-CB 4.19Å; V32-M82 HydrophobicContact CG2-CB 3.93Å; V32-M82 HydrophobicContact CG2-SD 4.42Å |
| 33 | A | 89.2 | Confident | 86 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V13 F29 V30 L36 F37 | V13-A33 HydrophobicContact CG1-CB 3.74Å; F29-A33 WeakPolarHBondContact O-CB 3.23Å; F29-A33 PolarHBondContact O-N 3.47Å; V30-A33 PolarHBondContact O-N 3.2Å; A33-L36 PolarHBondContact O-N 3.45Å; A33-F37 WeakPolarHBondContact O-CB 3.44Å; A33-F37 PolarHBondContact O-N 3.26Å |
| 34 | F | 92 | Very high | 86.6 | Confident | 112 Ų | 112 | 52.6 Ų | 52.6 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.2 | -179.9 | -97.8 | 0 | 0 | 0 | 111.8 | I14 V30 D31 V32 F37 F38 | I14-F34 HydrophobicContact CD1-CD2 4.16Å; V30-F34 VanDerWaalsContact O-CB 3.28Å; V30-F34 WeakPolarHBondContact O-CB 3.39Å; V30-F34 PolarHBondContact O-N 3.47Å; D31-F34 PolarHBondContact O-N 2.93Å; V32-F34 PolarHBondContact O-N 3.06Å; F34-F37 PolarHBondContact O-N 2.95Å; F34-F38 VanDerWaalsContact O-CB 3.29Å; F34-F38 WeakPolarHBondContact O-CB 3.45Å; F34-F38 PolarHBondContact O-N 2.94Å |
| 35 | L | 92.8 | Very high | 87.5 | Confident | 74 Ų | 74 | 55.2 Ų | 55.2 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.3 | -174.4 | 142.8 | 0 | 0 | 0 | 111.7 | D31 V32 F38 L39 A79 | D31-L35 WeakPolarHBondContact O-CB 3.45Å; D31-L35 PolarHBondContact O-N 3.02Å; V32-L35 PolarHBondContact O-N 3.47Å; L35-F38 PolarHBondContact O-N 3.32Å; L35-L39 HydrophobicContact CD2-CD1 3.48Å; L35-L39 VanDerWaalsContact CD2-CD1 3.48Å; L35-L39 HydrophobicContact CD2-CG 4.3Å; L35-L39 HydrophobicContact CG-CD1 4.09Å; L35-L39 HydrophobicContact CG-CG 4.44Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 2.9Å; L35-A79 HydrophobicContact CD2-CB 3.19Å |
| 36 | L | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 173.5 | -79.3 | 170.6 | 0 | 0 | 0 | 111.9 | V32 A33 F38 S40 L76 A79 E211 | V32-L36 HydrophobicContact CG1-CD1 4.23Å; V32-L36 PolarHBondContact O-N 2.8Å; A33-L36 PolarHBondContact O-N 3.45Å; L36-F38 PolarHBondContact O-N 2.93Å; L36-S40 VanDerWaalsContact O-CB 3.23Å; L36-S40 WeakPolarHBondContact O-CB 3.41Å; L36-S40 PolarHBondContact O-N 3.38Å; L36-S40 PolarHBondContact O-OG 3.37Å; L36-S40 VanDerWaalsContact O-OG 3.08Å; L36-L76 HydrophobicContact CD2-CD2 4.37Å; L36-A79 HydrophobicContact CD2-CB 3.53Å; L36-A79 HydrophobicContact CG-CB 3.98Å; L36-E211 HydrophobicContact CD1-CB 4.15Å |
| 37 | F | 94.5 | Very high | 90 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | 175.6 | 163.2 | -101.6 | 0 | 0 | 0 | 111.7 | V7 L11 I14 A33 F34 S40 F41 | V7-F37 HydrophobicContact CG1-CD2 4.09Å; V7-F37 HydrophobicContact CG1-CE2 3.78Å; L11-F37 HydrophobicContact CB-CD2 4.1Å; L11-F37 HydrophobicContact CB-CE2 3.94Å; L11-F37 HydrophobicContact CD1-CE2 4.2Å; L11-F37 HydrophobicContact CD1-CZ 4.43Å; I14-F37 HydrophobicContact CD1-CB 3.66Å; I14-F37 HydrophobicContact CD1-CD1 3.72Å; I14-F37 HydrophobicContact CD1-CD2 4.37Å; I14-F37 HydrophobicContact CD1-CE1 4.5Å; I14-F37 HydrophobicContact CD1-CG 3.65Å; A33-F37 WeakPolarHBondContact O-CB 3.44Å; A33-F37 PolarHBondContact O-N 3.26Å; F34-F37 PolarHBondContact O-N 2.95Å; F37-S40 PolarHBondContact O-N 2.96Å; F37-F41 WeakPolarHBondContact O-CB 3.5Å; F37-F41 PolarHBondContact O-N 3.49Å |
| 38 | F | 95.6 | Very high | 90.9 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 44% | 0.443 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -46.5 | -175.5 | -175.5 | -106.1 | 0 | 0 | 0 | 112 | F34 L35 L36 F41 I42 | F34-F38 VanDerWaalsContact O-CB 3.29Å; F34-F38 WeakPolarHBondContact O-CB 3.45Å; F34-F38 PolarHBondContact O-N 2.94Å; L35-F38 PolarHBondContact O-N 3.32Å; L36-F38 PolarHBondContact O-N 2.93Å; F38-F41 PolarHBondContact O-N 3.31Å; F38-I42 HydrophobicContact CD1-CD1 3.79Å; F38-I42 HydrophobicContact CE1-CD1 3.31Å; F38-I42 HydrophobicContact CE1-CG1 4.43Å; F38-I42 HydrophobicContact CE2-CD1 4.28Å; F38-I42 HydrophobicContact CG-CD1 4.46Å; F38-I42 HydrophobicContact CZ-CD1 3.6Å; F38-I42 HydrophobicContact CZ-CG1 4.46Å; F38-I42 WeakPolarHBondContact O-CG1 3.4Å; F38-I42 PolarHBondContact O-N 3.44Å |
| 39 | L | 96.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.5 | -69.6 | 178.3 | 0 | 0 | 0 | 112.2 | L35 F41 I42 G43 L72 M75 L76 A79 | L35-L39 HydrophobicContact CD2-CD1 3.48Å; L35-L39 VanDerWaalsContact CD2-CD1 3.48Å; L35-L39 HydrophobicContact CD2-CG 4.3Å; L35-L39 HydrophobicContact CG-CD1 4.09Å; L35-L39 HydrophobicContact CG-CG 4.44Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 2.9Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-I42 PolarHBondContact O-N 2.82Å; L39-G43 PolarHBondContact O-N 3.09Å; L39-L72 HydrophobicContact CD2-CD2 4.18Å; L39-M75 HydrophobicContact CD1-CB 3.66Å; L39-M75 HydrophobicContact CD2-CB 4.09Å; L39-M75 HydrophobicContact CD2-SD 3.96Å; L39-L76 HydrophobicContact CB-CD2 3.56Å; L39-L76 HydrophobicContact CB-CG 3.95Å; L39-L76 HydrophobicContact CD1-CD2 4.32Å; L39-L76 HydrophobicContact CD1-CG 4.41Å; L39-A79 HydrophobicContact CD1-CB 4.29Å |
| 40 | S | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | 176.2 | -70 | 0 | 0 | 0 | 0 | 111.9 | S6 V7 L36 F37 G43 A44 | S6-S40 WeakPolarHBondContact CB-OG 3.42Å; S6-S40 PolarHBondContact OG-OG 2.79Å; V7-S40 VanDerWaalsContact CG2-C 3.44Å; L36-S40 VanDerWaalsContact O-CB 3.23Å; L36-S40 WeakPolarHBondContact O-CB 3.41Å; L36-S40 PolarHBondContact O-N 3.38Å; L36-S40 PolarHBondContact O-OG 3.37Å; L36-S40 VanDerWaalsContact O-OG 3.08Å; F37-S40 PolarHBondContact O-N 2.96Å; S40-G43 PolarHBondContact O-N 2.75Å; S40-A44 WeakPolarHBondContact O-CB 3.45Å; S40-A44 PolarHBondContact O-N 3.06Å |
| 41 | F | 96.3 | Very high | 92.9 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 174.3 | 177 | -102.1 | 0 | 0 | 0 | 111.2 | V7 F37 F38 L39 G43 A44 V45 | V7-F41 HydrophobicContact CG2-CB 3.99Å; V7-F41 VanDerWaalsContact CG2-N 3.3Å; F37-F41 WeakPolarHBondContact O-CB 3.5Å; F37-F41 PolarHBondContact O-N 3.49Å; F38-F41 PolarHBondContact O-N 3.31Å; L39-F41 VanDerWaalsContact C-N 3.32Å; F41-G43 VanDerWaalsContact C-N 3.29Å; F41-G43 PolarHBondContact O-N 3.13Å; F41-A44 WeakPolarHBondContact O-CB 3.37Å; F41-A44 PolarHBondContact O-N 3.39Å; F41-A44 VanDerWaalsContact O-N 3.13Å; F41-V45 HydrophobicContact CE1-CG2 4.22Å; F41-V45 HydrophobicContact CZ-CG2 4.16Å; F41-V45 PolarHBondContact O-N 3.33Å |
| 42 | I | 96.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 174.1 | -66.3 | 172.6 | 0 | 0 | 0 | 110.2 | F38 L39 A44 V45 V46 L72 | F38-I42 HydrophobicContact CD1-CD1 3.79Å; F38-I42 HydrophobicContact CE1-CD1 3.31Å; F38-I42 HydrophobicContact CE1-CG1 4.43Å; F38-I42 HydrophobicContact CE2-CD1 4.28Å; F38-I42 HydrophobicContact CG-CD1 4.46Å; F38-I42 HydrophobicContact CZ-CD1 3.6Å; F38-I42 HydrophobicContact CZ-CG1 4.46Å; F38-I42 WeakPolarHBondContact O-CG1 3.4Å; F38-I42 PolarHBondContact O-N 3.44Å; L39-I42 PolarHBondContact O-N 2.82Å; I42-A44 VanDerWaalsContact C-N 3.29Å; I42-A44 PolarHBondContact O-N 3.27Å; I42-V45 PolarHBondContact O-N 3.35Å; I42-V46 HydrophobicContact CG2-CG2 4.07Å; I42-V46 WeakPolarHBondContact O-CB 3.38Å; I42-V46 WeakPolarHBondContact O-CG2 3.38Å; I42-V46 PolarHBondContact O-N 3.43Å; I42-L72 HydrophobicContact CB-CD2 4.44Å; I42-L72 HydrophobicContact CG2-CD1 3.91Å; I42-L72 HydrophobicContact CG2-CD2 3.9Å |
| 43 | G | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L39 S40 F41 N47 | L39-G43 PolarHBondContact O-N 3.09Å; S40-G43 PolarHBondContact O-N 2.75Å; F41-G43 VanDerWaalsContact C-N 3.29Å; F41-G43 PolarHBondContact O-N 3.13Å; G43-N47 WeakPolarHBondContact O-CB 3.18Å; G43-N47 PolarHBondContact O-N 3.01Å; G43-N47 PolarHBondContact O-ND2 3.39Å |
| 44 | A | 94 | Very high | 93.4 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | N3 S40 F41 I42 N47 A48 | N3-A44 HydrophobicContact CB-CB 4.27Å; S40-A44 WeakPolarHBondContact O-CB 3.45Å; S40-A44 PolarHBondContact O-N 3.06Å; F41-A44 WeakPolarHBondContact O-CB 3.37Å; F41-A44 PolarHBondContact O-N 3.39Å; F41-A44 VanDerWaalsContact O-N 3.13Å; I42-A44 VanDerWaalsContact C-N 3.29Å; I42-A44 PolarHBondContact O-N 3.27Å; A44-N47 PolarHBondContact O-N 3.26Å; A44-A48 PolarHBondContact O-N 3.01Å; A44-A48 VanDerWaalsContact O-N 3.14Å |
| 45 | V | 94.7 | Very high | 93.3 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | F41 I42 N47 A48 V49 | F41-V45 HydrophobicContact CE1-CG2 4.22Å; F41-V45 HydrophobicContact CZ-CG2 4.16Å; F41-V45 PolarHBondContact O-N 3.33Å; I42-V45 PolarHBondContact O-N 3.35Å; V45-N47 VanDerWaalsContact C-N 3.31Å; V45-N47 PolarHBondContact O-N 3.04Å; V45-A48 WeakPolarHBondContact O-CB 3.45Å; V45-A48 PolarHBondContact O-N 3.27Å; V45-A48 VanDerWaalsContact O-N 3.09Å; V45-V49 HydrophobicContact CG1-CG2 4.46Å; V45-V49 WeakPolarHBondContact O-CG2 3.33Å; V45-V49 PolarHBondContact O-N 3.32Å |
| 46 | V | 93.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 178.6 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | I42 A48 V49 G50 F65 L72 | I42-V46 HydrophobicContact CG2-CG2 4.07Å; I42-V46 WeakPolarHBondContact O-CB 3.38Å; I42-V46 WeakPolarHBondContact O-CG2 3.38Å; I42-V46 PolarHBondContact O-N 3.43Å; V46-A48 VanDerWaalsContact C-N 3.35Å; V46-A48 PolarHBondContact O-N 2.86Å; V46-V49 PolarHBondContact O-N 3.28Å; V46-G50 PolarHBondContact O-N 3.42Å; V46-F65 HydrophobicContact CG1-CD2 3.77Å; V46-F65 HydrophobicContact CG1-CE2 3.66Å; V46-F65 VanDerWaalsContact O-CE2 3.23Å; V46-F65 WeakPolarHBondContact O-CE2 3.46Å; V46-L72 HydrophobicContact CB-CD1 4.19Å; V46-L72 HydrophobicContact CG1-CD1 4.34Å; V46-L72 HydrophobicContact CG2-CD1 3.88Å |
| 47 | N | 92.4 | Very high | 93 | Very high | 45 Ų | 45 | 65.5 Ų | 65.5 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 175.1 | -78.4 | -51.9 | 0 | 0 | 0 | 113 | N3 G43 A44 V45 G50 F51 L222 | N3-N47 PolarHBondContact ND2-ND2 3.37Å; G43-N47 WeakPolarHBondContact O-CB 3.18Å; G43-N47 PolarHBondContact O-N 3.01Å; G43-N47 PolarHBondContact O-ND2 3.39Å; A44-N47 PolarHBondContact O-N 3.26Å; V45-N47 VanDerWaalsContact C-N 3.31Å; V45-N47 PolarHBondContact O-N 3.04Å; N47-G50 PolarHBondContact O-N 2.98Å; N47-F51 PolarHBondContact O-N 3.43Å; N47-L222 WeakPolarHBondContact ND2-CD2 3.39Å |
| 48 | A | 92.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A44 V45 V46 G50 F51 Y52 | A44-A48 PolarHBondContact O-N 3.01Å; A44-A48 VanDerWaalsContact O-N 3.14Å; V45-A48 WeakPolarHBondContact O-CB 3.45Å; V45-A48 PolarHBondContact O-N 3.27Å; V45-A48 VanDerWaalsContact O-N 3.09Å; V46-A48 VanDerWaalsContact C-N 3.35Å; V46-A48 PolarHBondContact O-N 2.86Å; A48-G50 VanDerWaalsContact C-N 3.35Å; A48-F51 PolarHBondContact O-N 3.29Å; A48-Y52 PolarHBondContact O-N 2.87Å |
| 49 | V | 92.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 173.5 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | V45 V46 F51 Y52 V53 | V45-V49 HydrophobicContact CG1-CG2 4.46Å; V45-V49 WeakPolarHBondContact O-CG2 3.33Å; V45-V49 PolarHBondContact O-N 3.32Å; V46-V49 PolarHBondContact O-N 3.28Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 3.01Å; V49-Y52 WeakPolarHBondContact O-CB 3.47Å; V49-Y52 PolarHBondContact O-N 3.44Å; V49-Y52 VanDerWaalsContact O-N 3.13Å; V49-V53 HydrophobicContact CG1-CG2 4.12Å; V49-V53 WeakPolarHBondContact O-CG2 3.44Å; V49-V53 PolarHBondContact O-N 2.82Å |
| 50 | G | 92 | Very high | 91.7 | Very high | 2 Ų | 2 | 72.2 Ų | 72.2 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V46 N47 A48 V53 T54 F65 | V46-G50 PolarHBondContact O-N 3.42Å; N47-G50 PolarHBondContact O-N 2.98Å; A48-G50 VanDerWaalsContact C-N 3.35Å; G50-V53 PolarHBondContact O-N 3Å; G50-T54 WeakPolarHBondContact O-CB 3.29Å; G50-T54 PolarHBondContact O-N 3.39Å; G50-T54 PolarHBondContact O-OG1 3.41Å; G50-F65 VanDerWaalsContact CA-CD2 3.48Å; G50-F65 VanDerWaalsContact CA-CE2 3.41Å |
| 51 | F | 90.6 | Very high | 91.5 | Very high | 138 Ų | 138 | 77.8 Ų | 77.8 | 61% | 0.605 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 173.3 | -177.2 | -104.3 | 0 | 0 | 0 | 111.5 | N47 A48 V49 T54 Q55 | N47-F51 PolarHBondContact O-N 3.43Å; A48-F51 PolarHBondContact O-N 3.29Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 3.01Å; F51-T54 PolarHBondContact O-N 3.3Å; F51-Q55 HydrophobicContact CE1-CG 4.38Å; F51-Q55 HydrophobicContact CZ-CG 4.46Å; F51-Q55 WeakPolarHBondContact O-CG 3.37Å; F51-Q55 PolarHBondContact O-N 3.35Å |
| 52 | Y | 92.3 | Very high | 91.2 | Very high | 128 Ų | 128 | 73.1 Ų | 73.1 | 50% | 0.502 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 176.4 | -178.3 | -92.6 | 0 | 0 | 0 | 112.7 | A48 V49 T54 Q55 R56 | A48-Y52 PolarHBondContact O-N 2.87Å; V49-Y52 WeakPolarHBondContact O-CB 3.47Å; V49-Y52 PolarHBondContact O-N 3.44Å; V49-Y52 VanDerWaalsContact O-N 3.13Å; Y52-T54 VanDerWaalsContact C-N 3.3Å; Y52-T54 PolarHBondContact O-N 3.18Å; Y52-Q55 PolarHBondContact O-N 2.89Å; Y52-R56 HydrophobicContact CD1-CG 4.34Å; Y52-R56 HydrophobicContact CE1-CG 3.91Å; Y52-R56 HydrophobicContact CE2-CG 4.4Å; Y52-R56 WeakPolarHBondContact O-CG 3.25Å; Y52-R56 PolarHBondContact O-N 3.44Å; Y52-R56 VanDerWaalsContact O-N 3.1Å |
| 53 | V | 90.4 | Very high | 91 | Very high | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 177 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | V49 G50 R56 E57 L58 F61 M62 | V49-V53 HydrophobicContact CG1-CG2 4.12Å; V49-V53 WeakPolarHBondContact O-CG2 3.44Å; V49-V53 PolarHBondContact O-N 2.82Å; G50-V53 PolarHBondContact O-N 3Å; V53-R56 PolarHBondContact O-N 3.06Å; V53-E57 PolarHBondContact O-N 3.13Å; V53-L58 HydrophobicContact CG1-CB 4.44Å; V53-L58 PolarHBondContact O-N 3.04Å; V53-F61 HydrophobicContact CB-CB 4.42Å; V53-F61 HydrophobicContact CG1-CB 3.61Å; V53-F61 HydrophobicContact CG2-CB 3.85Å; V53-M62 HydrophobicContact CG1-CG 3.81Å |
| 54 | T | 88.7 | Confident | 90.8 | Very high | 40 Ų | 40 | 78.9 Ų | 78.9 | 25% | 0.245 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | G50 F51 Y52 R56 E57 F228 L232 | G50-T54 WeakPolarHBondContact O-CB 3.29Å; G50-T54 PolarHBondContact O-N 3.39Å; G50-T54 PolarHBondContact O-OG1 3.41Å; F51-T54 PolarHBondContact O-N 3.3Å; Y52-T54 VanDerWaalsContact C-N 3.3Å; Y52-T54 PolarHBondContact O-N 3.18Å; T54-R56 VanDerWaalsContact C-N 3.28Å; T54-R56 PolarHBondContact O-N 3.14Å; T54-E57 PolarHBondContact O-N 2.8Å; T54-F228 HydrophobicContact CG2-CE1 4.46Å; T54-L232 HydrophobicContact CG2-CD1 4.12Å |
| 55 | Q | 90 | Very high | 90.8 | Very high | 126 Ų | 126 | 78.2 Ų | 78.2 | 59% | 0.589 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.3 | -30.8 | 176.5 | -73.9 | -172.2 | -21.8 | 0 | 0 | 113.7 | F51 Y52 | F51-Q55 HydrophobicContact CE1-CG 4.38Å; F51-Q55 HydrophobicContact CZ-CG 4.46Å; F51-Q55 WeakPolarHBondContact O-CG 3.37Å; F51-Q55 PolarHBondContact O-N 3.35Å; Y52-Q55 PolarHBondContact O-N 2.89Å |
| 56 | R | 91.5 | Very high | 90.8 | Very high | 156 Ų | 156 | 75.3 Ų | 75.3 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 1.3 | -179.9 | -65.6 | -63.7 | -170 | -179.6 | -0.8 | 113.7 | Y52 V53 T54 L58 | Y52-R56 HydrophobicContact CD1-CG 4.34Å; Y52-R56 HydrophobicContact CE1-CG 3.91Å; Y52-R56 HydrophobicContact CE2-CG 4.4Å; Y52-R56 WeakPolarHBondContact O-CG 3.25Å; Y52-R56 PolarHBondContact O-N 3.44Å; Y52-R56 VanDerWaalsContact O-N 3.1Å; V53-R56 PolarHBondContact O-N 3.06Å; T54-R56 VanDerWaalsContact C-N 3.28Å; T54-R56 PolarHBondContact O-N 3.14Å; R56-L58 HydrophobicContact CB-CD1 3.93Å; R56-L58 HydrophobicContact CB-CD2 4.39Å; R56-L58 HydrophobicContact CB-CG 3.68Å; R56-L58 PolarHBondContact O-N 3.41Å; R56-L58 VanDerWaalsContact O-N 3.1Å |
| 57 | E | 87.2 | Confident | 90.8 | Very high | 145 Ų | 145 | 78.3 Ų | 78.3 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 33 | -178.9 | -59.3 | -169.8 | 166.9 | 0 | 0 | 114.2 | V53 T54 R59 | V53-E57 PolarHBondContact O-N 3.13Å; T54-E57 PolarHBondContact O-N 2.8Å; E57-R59 PolarHBondContact O-N 3.5Å |
| 58 | L | 87.4 | Confident | 90.9 | Very high | 71 Ų | 71 | 78.3 Ų | 78.3 | 37% | 0.372 | 39% | 0.387 | S | S | . | . | trans | -79.3 | 89.5 | -175.5 | -61.8 | 175.9 | 0 | 0 | 0 | 111.2 | V53 R56 C60 F61 M62 | V53-L58 HydrophobicContact CG1-CB 4.44Å; V53-L58 PolarHBondContact O-N 3.04Å; R56-L58 HydrophobicContact CB-CD1 3.93Å; R56-L58 HydrophobicContact CB-CD2 4.39Å; R56-L58 HydrophobicContact CB-CG 3.68Å; R56-L58 PolarHBondContact O-N 3.41Å; R56-L58 VanDerWaalsContact O-N 3.1Å; L58-C60 PolarHBondContact O-N 3.02Å; L58-F61 HydrophobicContact CB-CB 4.11Å; L58-F61 HydrophobicContact CB-CD2 3.86Å; L58-F61 HydrophobicContact CB-CG 4.38Å; L58-F61 HydrophobicContact CD1-CD2 4.13Å; L58-F61 PolarHBondContact O-N 3.32Å; L58-M62 PolarHBondContact O-N 3.45Å | ||
| 59 | R | 84.7 | Confident | 91.1 | Very high | 140 Ų | 140 | 75.1 Ų | 75.1 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -50.4 | -48.9 | -171.8 | -58.2 | -177.9 | -169.8 | -176.4 | -4.7 | 114.9 | E57 F61 M62 Y63 T236 | E57-R59 PolarHBondContact O-N 3.5Å; R59-F61 VanDerWaalsContact C-N 3.31Å; R59-F61 PolarHBondContact O-N 3.45Å; R59-M62 WeakPolarHBondContact O-CB 3.23Å; R59-M62 PolarHBondContact O-N 2.91Å; R59-Y63 WeakPolarHBondContact O-CD2 3.42Å; R59-Y63 PolarHBondContact O-N 2.94Å; R59-T236 PolarHBondContact NH1-O 3.05Å; R59-T236 PolarHBondContact NH2-O 3.02Å; R59-T236 VanDerWaalsContact NH2-O 3.13Å |
| 60 | C | 87.1 | Confident | 91.2 | Very high | 88 Ų | 88 | 75 Ų | 75 | 60% | 0.595 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | -179.3 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | L58 M62 Y63 I64 | L58-C60 PolarHBondContact O-N 3.02Å; C60-M62 VanDerWaalsContact C-N 3.32Å; C60-M62 PolarHBondContact O-N 3.33Å; C60-Y63 PolarHBondContact O-N 2.88Å; C60-I64 PolarHBondContact O-N 2.89Å |
| 61 | F | 91.2 | Very high | 91.4 | Very high | 117 Ų | 117 | 78.1 Ų | 78.1 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.3 | -28.3 | 178.8 | -70.1 | -88.2 | 0 | 0 | 0 | 112.6 | V53 L58 R59 I64 F65 | V53-F61 HydrophobicContact CB-CB 4.42Å; V53-F61 HydrophobicContact CG1-CB 3.61Å; V53-F61 HydrophobicContact CG2-CB 3.85Å; L58-F61 HydrophobicContact CB-CB 4.11Å; L58-F61 HydrophobicContact CB-CD2 3.86Å; L58-F61 HydrophobicContact CB-CG 4.38Å; L58-F61 HydrophobicContact CD1-CD2 4.13Å; L58-F61 PolarHBondContact O-N 3.32Å; R59-F61 VanDerWaalsContact C-N 3.31Å; R59-F61 PolarHBondContact O-N 3.45Å; F61-I64 PolarHBondContact O-N 3.16Å; F61-F65 VanDerWaalsContact O-CB 3.22Å; F61-F65 WeakPolarHBondContact O-CB 3.07Å; F61-F65 PolarHBondContact O-N 3.21Å |
| 62 | M | 91 | Very high | 91.7 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.8 | -69 | 177 | 173.1 | 0 | 0 | 112.3 | V53 L58 R59 C60 S66 A233 | V53-M62 HydrophobicContact CG1-CG 3.81Å; L58-M62 PolarHBondContact O-N 3.45Å; R59-M62 WeakPolarHBondContact O-CB 3.23Å; R59-M62 PolarHBondContact O-N 2.91Å; C60-M62 VanDerWaalsContact C-N 3.32Å; C60-M62 PolarHBondContact O-N 3.33Å; M62-S66 WeakPolarHBondContact O-CB 3.34Å; M62-S66 PolarHBondContact O-N 3.38Å; M62-A233 HydrophobicContact CB-CB 4.14Å; M62-A233 HydrophobicContact SD-CB 4.42Å |
| 63 | Y | 90.7 | Very high | 91.9 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 175.8 | -73.4 | -68.9 | 0 | 0 | 0 | 111.6 | R59 C60 F65 S66 V67 A233 Q237 | R59-Y63 WeakPolarHBondContact O-CD2 3.42Å; R59-Y63 PolarHBondContact O-N 2.94Å; C60-Y63 PolarHBondContact O-N 2.88Å; Y63-F65 VanDerWaalsContact C-N 3.31Å; Y63-F65 PolarHBondContact O-N 3.45Å; Y63-S66 PolarHBondContact O-N 2.92Å; Y63-V67 WeakPolarHBondContact O-CG2 3.33Å; Y63-V67 PolarHBondContact O-N 2.65Å; Y63-A233 HydrophobicContact CD1-CB 4.31Å; Y63-A233 HydrophobicContact CD2-CB 4.24Å; Y63-A233 HydrophobicContact CE1-CB 3.83Å; Y63-A233 HydrophobicContact CE2-CB 3.76Å; Y63-A233 PolarHBondContact OH-O 3.4Å; Y63-Q237 VanDerWaalsContact OH-CD 3.3Å; Y63-Q237 PolarHBondContact OH-NE2 3.44Å; Y63-Q237 VanDerWaalsContact OH-NE2 3.09Å |
| 64 | I | 92.2 | Very high | 92.2 | Very high | 93 Ų | 93 | 71.4 Ų | 71.4 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.4 | -63.4 | 170.7 | 0 | 0 | 0 | 110.6 | C60 F61 V67 S68 | C60-I64 PolarHBondContact O-N 2.89Å; F61-I64 PolarHBondContact O-N 3.16Å; I64-V67 PolarHBondContact O-N 3.38Å; I64-S68 VanDerWaalsContact O-CB 3.32Å; I64-S68 WeakPolarHBondContact O-CB 3.46Å; I64-S68 PolarHBondContact O-N 3.24Å; I64-S68 PolarHBondContact O-OG 2.94Å |
| 65 | F | 93.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 73.8 Ų | 73.8 | 6% | 0.057 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 175.3 | 170.5 | -101.9 | 0 | 0 | 0 | 111.6 | V46 G50 F61 Y63 V67 S68 C69 P225 C229 | V46-F65 HydrophobicContact CG1-CD2 3.77Å; V46-F65 HydrophobicContact CG1-CE2 3.66Å; V46-F65 VanDerWaalsContact O-CE2 3.23Å; V46-F65 WeakPolarHBondContact O-CE2 3.46Å; G50-F65 VanDerWaalsContact CA-CD2 3.48Å; G50-F65 VanDerWaalsContact CA-CE2 3.41Å; F61-F65 VanDerWaalsContact O-CB 3.22Å; F61-F65 WeakPolarHBondContact O-CB 3.07Å; F61-F65 PolarHBondContact O-N 3.21Å; Y63-F65 VanDerWaalsContact C-N 3.31Å; Y63-F65 PolarHBondContact O-N 3.45Å; F65-V67 PolarHBondContact O-N 3.1Å; F65-S68 PolarHBondContact O-N 3.32Å; F65-C69 WeakPolarHBondContact CE2-SG 3.35Å; F65-C69 WeakPolarHBondContact CZ-SG 3.37Å; F65-C69 PolarHBondContact O-N 2.97Å; F65-C69 PolarHBondContact O-SG 3.4Å; F65-P225 HydrophobicContact CE1-CB 4.12Å; F65-P225 HydrophobicContact CZ-CB 4.06Å; F65-C229 HydrophobicContact CD1-CB 3.86Å; F65-C229 VanDerWaalsContact CD1-SG 3.57Å; F65-C229 HydrophobicContact CE1-CB 4.14Å; F65-C229 WeakPolarHBondContact CE1-SG 3.37Å |
| 66 | S | 93.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 179.4 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | M62 Y63 S68 C69 L70 A226 | M62-S66 WeakPolarHBondContact O-CB 3.34Å; M62-S66 PolarHBondContact O-N 3.38Å; Y63-S66 PolarHBondContact O-N 2.92Å; S66-S68 PolarHBondContact O-N 3.4Å; S66-C69 PolarHBondContact O-N 3.46Å; S66-L70 WeakPolarHBondContact O-CG 3.26Å; S66-L70 PolarHBondContact O-N 2.98Å; S66-A226 PolarHBondContact OG-O 3.28Å |
| 67 | V | 94.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110.9 | Y63 I64 F65 C69 L70 V71 | Y63-V67 WeakPolarHBondContact O-CG2 3.33Å; Y63-V67 PolarHBondContact O-N 2.65Å; I64-V67 PolarHBondContact O-N 3.38Å; F65-V67 PolarHBondContact O-N 3.1Å; V67-C69 PolarHBondContact O-N 2.93Å; V67-L70 PolarHBondContact O-N 2.92Å; V67-V71 HydrophobicContact CG1-CG2 4.43Å; V67-V71 WeakPolarHBondContact O-CG2 3.28Å; V67-V71 PolarHBondContact O-N 2.88Å |
| 68 | S | 94.9 | Very high | 93.5 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | I64 F65 S66 L70 V71 L72 | I64-S68 VanDerWaalsContact O-CB 3.32Å; I64-S68 WeakPolarHBondContact O-CB 3.46Å; I64-S68 PolarHBondContact O-N 3.24Å; I64-S68 PolarHBondContact O-OG 2.94Å; F65-S68 PolarHBondContact O-N 3.32Å; S66-S68 PolarHBondContact O-N 3.4Å; S68-L70 PolarHBondContact O-N 2.93Å; S68-V71 PolarHBondContact O-N 3.08Å; S68-L72 WeakPolarHBondContact O-CB 3.39Å; S68-L72 VanDerWaalsContact O-CG 3.29Å; S68-L72 WeakPolarHBondContact O-CG 3.43Å; S68-L72 PolarHBondContact O-N 3.38Å |
| 69 | C | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176 | -76 | 0 | 0 | 0 | 0 | 112.8 | F65 S66 V67 S73 L222 A226 | F65-C69 WeakPolarHBondContact CE2-SG 3.35Å; F65-C69 WeakPolarHBondContact CZ-SG 3.37Å; F65-C69 PolarHBondContact O-N 2.97Å; F65-C69 PolarHBondContact O-SG 3.4Å; S66-C69 PolarHBondContact O-N 3.46Å; V67-C69 PolarHBondContact O-N 2.93Å; C69-S73 WeakPolarHBondContact O-CB 3.23Å; C69-S73 PolarHBondContact O-N 3.46Å; C69-L222 HydrophobicContact CB-CB 4.42Å; C69-A226 HydrophobicContact CB-CB 3.65Å |
| 70 | L | 95.9 | Very high | 94.1 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 41% | 0.408 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 176.2 | -70.3 | 174.8 | 0 | 0 | 0 | 111.5 | S66 V67 S68 S73 L74 A226 | S66-L70 WeakPolarHBondContact O-CG 3.26Å; S66-L70 PolarHBondContact O-N 2.98Å; V67-L70 PolarHBondContact O-N 2.92Å; S68-L70 PolarHBondContact O-N 2.93Å; L70-S73 WeakPolarHBondContact O-CB 3.49Å; L70-S73 PolarHBondContact O-N 3.41Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3.36Å; L70-A226 HydrophobicContact CD2-CB 4.2Å; L70-A226 HydrophobicContact CG-CB 4.17Å |
| 71 | V | 96.6 | Very high | 94.4 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V67 S68 S73 L74 M75 | V67-V71 HydrophobicContact CG1-CG2 4.43Å; V67-V71 WeakPolarHBondContact O-CG2 3.28Å; V67-V71 PolarHBondContact O-N 2.88Å; S68-V71 PolarHBondContact O-N 3.08Å; V71-S73 VanDerWaalsContact C-N 3.32Å; V71-S73 PolarHBondContact O-N 2.8Å; V71-L74 PolarHBondContact O-N 2.66Å; V71-M75 HydrophobicContact CG1-CE 3.91Å; V71-M75 HydrophobicContact CG1-SD 4.27Å; V71-M75 WeakPolarHBondContact O-CG 3.28Å; V71-M75 PolarHBondContact O-N 3.08Å |
| 72 | L | 96.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 177.5 | -72.6 | 171.2 | 0 | 0 | 0 | 112.4 | L39 I42 V46 S68 M75 L76 L222 | L39-L72 HydrophobicContact CD2-CD2 4.18Å; I42-L72 HydrophobicContact CB-CD2 4.44Å; I42-L72 HydrophobicContact CG2-CD1 3.91Å; I42-L72 HydrophobicContact CG2-CD2 3.9Å; V46-L72 HydrophobicContact CB-CD1 4.19Å; V46-L72 HydrophobicContact CG1-CD1 4.34Å; V46-L72 HydrophobicContact CG2-CD1 3.88Å; S68-L72 WeakPolarHBondContact O-CB 3.39Å; S68-L72 VanDerWaalsContact O-CG 3.29Å; S68-L72 WeakPolarHBondContact O-CG 3.43Å; S68-L72 PolarHBondContact O-N 3.38Å; L72-M75 PolarHBondContact O-N 2.92Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 WeakPolarHBondContact O-CG 3.47Å; L72-L76 PolarHBondContact O-N 2.96Å; L72-L222 HydrophobicContact CB-CD1 3.71Å |
| 73 | S | 96.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | C69 L70 V71 L76 L77 S219 I223 | C69-S73 WeakPolarHBondContact O-CB 3.23Å; C69-S73 PolarHBondContact O-N 3.46Å; L70-S73 WeakPolarHBondContact O-CB 3.49Å; L70-S73 PolarHBondContact O-N 3.41Å; V71-S73 VanDerWaalsContact C-N 3.32Å; V71-S73 PolarHBondContact O-N 2.8Å; S73-L76 PolarHBondContact O-N 3.34Å; S73-L77 WeakPolarHBondContact O-CB 3.36Å; S73-L77 PolarHBondContact O-N 3.35Å; S73-S219 WeakPolarHBondContact O-CB 3.05Å; S73-S219 PolarHBondContact O-OG 2.95Å; S73-S219 PolarHBondContact OG-O 3.45Å; S73-S219 PolarHBondContact OG-OG 3.11Å; S73-I223 VanDerWaalsContact OG-CG1 3.26Å; S73-I223 WeakPolarHBondContact OG-CG1 3.41Å |
| 74 | L | 96.8 | Very high | 93.9 | Very high | 110 Ų | 110 | 48.7 Ų | 48.7 | 58% | 0.576 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 176.2 | -67.9 | 174.5 | 0 | 0 | 0 | 111.6 | L70 V71 L77 L78 | L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3.36Å; V71-L74 PolarHBondContact O-N 2.66Å; L74-L77 PolarHBondContact O-N 3.43Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.94Å |
| 75 | M | 96.8 | Very high | 93.7 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 177.7 | -69 | -179 | 170.6 | 0 | 0 | 112.2 | L39 V71 L72 L77 L78 A79 | L39-M75 HydrophobicContact CD1-CB 3.66Å; L39-M75 HydrophobicContact CD2-CB 4.09Å; L39-M75 HydrophobicContact CD2-SD 3.96Å; V71-M75 HydrophobicContact CG1-CE 3.91Å; V71-M75 HydrophobicContact CG1-SD 4.27Å; V71-M75 WeakPolarHBondContact O-CG 3.28Å; V71-M75 PolarHBondContact O-N 3.08Å; L72-M75 PolarHBondContact O-N 2.92Å; M75-L77 VanDerWaalsContact C-N 3.32Å; M75-L77 PolarHBondContact O-N 3.25Å; M75-L78 PolarHBondContact O-N 3.22Å; M75-A79 WeakPolarHBondContact O-CB 3.27Å; M75-A79 PolarHBondContact O-N 3.06Å |
| 76 | L | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 177 | -80.4 | 168.6 | 0 | 0 | 0 | 112.5 | L36 L39 L72 S73 A79 G80 A218 L222 | L36-L76 HydrophobicContact CD2-CD2 4.37Å; L39-L76 HydrophobicContact CB-CD2 3.56Å; L39-L76 HydrophobicContact CB-CG 3.95Å; L39-L76 HydrophobicContact CD1-CD2 4.32Å; L39-L76 HydrophobicContact CD1-CG 4.41Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 WeakPolarHBondContact O-CG 3.47Å; L72-L76 PolarHBondContact O-N 2.96Å; S73-L76 PolarHBondContact O-N 3.34Å; L76-A79 PolarHBondContact O-N 3.11Å; L76-G80 PolarHBondContact O-N 2.91Å; L76-A218 HydrophobicContact CD1-CB 4.1Å; L76-L222 HydrophobicContact CD1-CD1 3.66Å |
| 77 | L | 96 | Very high | 92.4 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -49.8 | 175.2 | 179.9 | 63.9 | 0 | 0 | 0 | 110.5 | S73 L74 M75 A79 G80 L81 M216 | S73-L77 WeakPolarHBondContact O-CB 3.36Å; S73-L77 PolarHBondContact O-N 3.35Å; L74-L77 PolarHBondContact O-N 3.43Å; M75-L77 VanDerWaalsContact C-N 3.32Å; M75-L77 PolarHBondContact O-N 3.25Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 3.3Å; L77-G80 PolarHBondContact O-N 3.14Å; L77-L81 HydrophobicContact CG-CD1 4.28Å; L77-L81 VanDerWaalsContact O-CG 3.27Å; L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 2.94Å; L77-M216 HydrophobicContact CD1-CG 4.31Å |
| 78 | L | 95.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 56% | 0.56 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 177.7 | -67.4 | 174.2 | 0 | 0 | 0 | 111.5 | L74 M75 L81 M82 | L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.94Å; M75-L78 PolarHBondContact O-N 3.22Å; L78-L81 PolarHBondContact O-N 3.45Å; L78-M82 WeakPolarHBondContact O-CG 3.43Å; L78-M82 PolarHBondContact O-N 2.82Å |
| 79 | A | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L35 L36 L39 M75 L76 L77 L81 M82 G83 | L35-A79 HydrophobicContact CD2-CB 3.19Å; L36-A79 HydrophobicContact CD2-CB 3.53Å; L36-A79 HydrophobicContact CG-CB 3.98Å; L39-A79 HydrophobicContact CD1-CB 4.29Å; M75-A79 WeakPolarHBondContact O-CB 3.27Å; M75-A79 PolarHBondContact O-N 3.06Å; L76-A79 PolarHBondContact O-N 3.11Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 3.3Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 3.47Å; A79-M82 WeakPolarHBondContact O-CB 3.22Å; A79-M82 PolarHBondContact O-N 3.14Å; A79-G83 PolarHBondContact O-N 2.95Å |
| 80 | G | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L76 L77 M82 G83 F84 | L76-G80 PolarHBondContact O-N 2.91Å; L77-G80 PolarHBondContact O-N 3.14Å; G80-M82 VanDerWaalsContact C-N 3.34Å; G80-M82 PolarHBondContact O-N 3.31Å; G80-G83 PolarHBondContact O-N 3.49Å; G80-G83 VanDerWaalsContact O-N 3.14Å; G80-F84 WeakPolarHBondContact O-CD2 3.16Å |
| 81 | L | 93.4 | Very high | 89.3 | Confident | 77 Ų | 77 | 56.3 Ų | 56.3 | 40% | 0.403 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 175 | -69.7 | 175.2 | 0 | 0 | 0 | 112.5 | L77 L78 A79 G83 F84 I85 | L77-L81 HydrophobicContact CG-CD1 4.28Å; L77-L81 VanDerWaalsContact O-CG 3.27Å; L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 2.94Å; L78-L81 PolarHBondContact O-N 3.45Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 3.47Å; L81-G83 VanDerWaalsContact C-N 3.25Å; L81-G83 PolarHBondContact O-N 3.48Å; L81-F84 PolarHBondContact O-N 3.29Å; L81-F84 VanDerWaalsContact O-N 3.11Å; L81-I85 WeakPolarHBondContact O-CG1 3.31Å; L81-I85 PolarHBondContact O-N 3.02Å |
| 82 | M | 90.5 | Very high | 88.2 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 174.3 | -72.3 | 178.9 | 179.4 | 0 | 0 | 112.3 | V32 L78 A79 G80 F84 I85 F86 | V32-M82 HydrophobicContact CG1-CB 4.19Å; V32-M82 HydrophobicContact CG2-CB 3.93Å; V32-M82 HydrophobicContact CG2-SD 4.42Å; L78-M82 WeakPolarHBondContact O-CG 3.43Å; L78-M82 PolarHBondContact O-N 2.82Å; A79-M82 WeakPolarHBondContact O-CB 3.22Å; A79-M82 PolarHBondContact O-N 3.14Å; G80-M82 VanDerWaalsContact C-N 3.34Å; G80-M82 PolarHBondContact O-N 3.31Å; M82-F84 VanDerWaalsContact C-N 3.31Å; M82-F84 PolarHBondContact O-N 2.89Å; M82-I85 PolarHBondContact O-N 3.4Å; M82-F86 WeakPolarHBondContact O-CB 3.47Å; M82-F86 PolarHBondContact O-N 3.33Å |
| 83 | G | 85.5 | Confident | 87 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -39.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A79 G80 L81 | A79-G83 PolarHBondContact O-N 2.95Å; G80-G83 PolarHBondContact O-N 3.49Å; G80-G83 VanDerWaalsContact O-N 3.14Å; L81-G83 VanDerWaalsContact C-N 3.25Å; L81-G83 PolarHBondContact O-N 3.48Å |
| 84 | F | 86.6 | Confident | 86 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 23% | 0.232 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.1 | -35.6 | 175.2 | -64.4 | -80.1 | 0 | 0 | 0 | 112.9 | G80 L81 M82 F86 Q87 F209 I213 M216 | G80-F84 WeakPolarHBondContact O-CD2 3.16Å; L81-F84 PolarHBondContact O-N 3.29Å; L81-F84 VanDerWaalsContact O-N 3.11Å; M82-F84 VanDerWaalsContact C-N 3.31Å; M82-F84 PolarHBondContact O-N 2.89Å; F84-F86 VanDerWaalsContact C-N 3.3Å; F84-Q87 PolarHBondContact O-N 3.42Å; F84-F209 HydrophobicContact CD1-CD2 4.29Å; F84-F209 AromaticContact CE1-CD2 3.62Å; F84-F209 HydrophobicContact CE1-CD2 3.62Å; F84-F209 AromaticContact CE1-CE2 3.78Å; F84-F209 HydrophobicContact CE1-CE2 3.78Å; F84-I213 HydrophobicContact CZ-CG1 3.94Å; F84-M216 HydrophobicContact CE2-CE 3.32Å; F84-M216 HydrophobicContact CE2-SD 3.84Å; F84-M216 HydrophobicContact CZ-CE 3.41Å; F84-M216 VanDerWaalsContact CZ-CE 3.41Å; F84-M216 HydrophobicContact CZ-SD 4.48Å |
| 85 | I | 86.7 | Confident | 85.2 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 175 | -65.9 | 168.8 | 0 | 0 | 0 | 110 | L81 M82 Q87 K88 Q89 | L81-I85 WeakPolarHBondContact O-CG1 3.31Å; L81-I85 PolarHBondContact O-N 3.02Å; M82-I85 PolarHBondContact O-N 3.4Å; I85-Q87 VanDerWaalsContact C-N 3.28Å; I85-Q87 PolarHBondContact O-N 3.05Å; I85-K88 WeakPolarHBondContact O-CA 3.43Å; I85-K88 WeakPolarHBondContact O-CB 3.23Å; I85-K88 PolarHBondContact O-N 3.2Å; I85-Q89 HydrophobicContact CG2-CG 4.42Å; I85-Q89 PolarHBondContact O-N 3.07Å |
| 86 | F | 80.9 | Confident | 84.6 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -38.7 | 177.9 | 177.5 | -104.4 | 0 | 0 | 0 | 112.6 | L28 F29 M82 F84 K88 Q89 L90 I204 A208 | L28-F86 HydrophobicContact CD2-CD2 4.44Å; F29-F86 HydrophobicContact CB-CD2 4.4Å; F29-F86 HydrophobicContact CB-CE1 3.89Å; F29-F86 HydrophobicContact CB-CE2 3.7Å; F29-F86 HydrophobicContact CB-CZ 3.42Å; F29-F86 VanDerWaalsContact CB-CZ 3.42Å; F29-F86 AromaticContact CD2-CD1 3.62Å; F29-F86 HydrophobicContact CD2-CD1 3.62Å; F29-F86 AromaticContact CD2-CE1 3.17Å; F29-F86 HydrophobicContact CD2-CE1 3.17Å; F29-F86 HydrophobicContact CD2-CE2 4.47Å; F29-F86 HydrophobicContact CD2-CG 4.41Å; F29-F86 AromaticContact CD2-CZ 3.69Å; F29-F86 HydrophobicContact CD2-CZ 3.69Å; F29-F86 HydrophobicContact CE2-CD1 4.33Å; F29-F86 AromaticContact CE2-CE1 3.95Å; F29-F86 HydrophobicContact CE2-CE1 3.95Å; F29-F86 AromaticContact CG-CE1 3.77Å; F29-F86 HydrophobicContact CG-CE1 3.77Å; F29-F86 HydrophobicContact CG-CE2 4.49Å; F29-F86 AromaticContact CG-CZ 3.79Å; F29-F86 HydrophobicContact CG-CZ 3.79Å; M82-F86 WeakPolarHBondContact O-CB 3.47Å; M82-F86 PolarHBondContact O-N 3.33Å; F84-F86 VanDerWaalsContact C-N 3.3Å; F86-K88 PolarHBondContact O-N 2.66Å; F86-Q89 PolarHBondContact O-N 2.85Å; F86-Q89 VanDerWaalsContact O-N 3.13Å; F86-L90 HydrophobicContact CD1-CD1 3.9Å; F86-L90 HydrophobicContact CD1-CG 4.08Å; F86-L90 HydrophobicContact CE1-CD1 3.27Å; F86-L90 HydrophobicContact CE1-CD2 3.94Å; F86-L90 HydrophobicContact CE1-CG 3.52Å; F86-L90 HydrophobicContact CE2-CD2 3.99Å; F86-L90 HydrophobicContact CE2-CG 4.02Å; F86-L90 HydrophobicContact CZ-CD1 3.71Å; F86-L90 HydrophobicContact CZ-CD2 3.4Å; F86-L90 HydrophobicContact CZ-CG 3.45Å; F86-L90 VanDerWaalsContact CZ-CG 3.45Å; F86-L90 PolarHBondContact O-N 3.49Å; F86-I204 HydrophobicContact CE1-CG2 3.83Å; F86-I204 HydrophobicContact CZ-CG2 4.47Å; F86-A208 HydrophobicContact CD1-CB 4.22Å |
| 87 | Q | 80.8 | Confident | 84.1 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.3 | -35.2 | 174.7 | -65.4 | -178.2 | 1.1 | 0 | 0 | 113.1 | F84 I85 M205 A208 F209 | F84-Q87 PolarHBondContact O-N 3.42Å; I85-Q87 VanDerWaalsContact C-N 3.28Å; I85-Q87 PolarHBondContact O-N 3.05Å; Q87-M205 PolarHBondContact NE2-O 2.94Å; Q87-A208 HydrophobicContact CG-CB 4.16Å; Q87-F209 VanDerWaalsContact NE2-N 3.16Å |
| 88 | K | 82 | Confident | 83.6 | Confident | 150 Ų | 150 | 61.2 Ų | 61.2 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.6 | -43.1 | 175.2 | -63 | -176.8 | 177.9 | -178.3 | 0 | 110.6 | I85 F86 L90 K91 L92 | I85-K88 WeakPolarHBondContact O-CA 3.43Å; I85-K88 WeakPolarHBondContact O-CB 3.23Å; I85-K88 PolarHBondContact O-N 3.2Å; F86-K88 PolarHBondContact O-N 2.66Å; K88-L90 PolarHBondContact O-N 2.85Å; K88-K91 PolarHBondContact O-N 2.81Å; K88-L92 VanDerWaalsContact O-CG 3.32Å; K88-L92 WeakPolarHBondContact O-CG 3Å; K88-L92 PolarHBondContact O-N 3.33Å; K88-L92 VanDerWaalsContact O-N 3.12Å |
| 89 | Q | 79.7 | Confident | 83.2 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.7 | -69.1 | -171.7 | 5.3 | 0 | 0 | 112.7 | L28 I85 F86 K91 L92 N93 | L28-Q89 VanDerWaalsContact CD2-OE1 3.26Å; I85-Q89 HydrophobicContact CG2-CG 4.42Å; I85-Q89 PolarHBondContact O-N 3.07Å; F86-Q89 PolarHBondContact O-N 2.85Å; F86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-K91 VanDerWaalsContact C-N 3.26Å; Q89-K91 PolarHBondContact O-N 3.16Å; Q89-L92 PolarHBondContact O-N 2.92Å; Q89-L92 VanDerWaalsContact O-N 3.1Å; Q89-N93 VanDerWaalsContact O-CB 3.27Å; Q89-N93 WeakPolarHBondContact O-CB 3.47Å; Q89-N93 VanDerWaalsContact O-CG 3.26Å; Q89-N93 PolarHBondContact O-N 2.89Å |
| 90 | L | 76.3 | Confident | 83 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.8 | -42.2 | 175.2 | -81.7 | -179.3 | 0 | 0 | 0 | 112.7 | F24 F86 K88 L95 I204 M205 | F24-L90 HydrophobicContact CD1-CD2 4.09Å; F24-L90 HydrophobicContact CE1-CD2 3.75Å; F86-L90 HydrophobicContact CD1-CD1 3.9Å; F86-L90 HydrophobicContact CD1-CG 4.08Å; F86-L90 HydrophobicContact CE1-CD1 3.27Å; F86-L90 HydrophobicContact CE1-CD2 3.94Å; F86-L90 HydrophobicContact CE1-CG 3.52Å; F86-L90 HydrophobicContact CE2-CD2 3.99Å; F86-L90 HydrophobicContact CE2-CG 4.02Å; F86-L90 HydrophobicContact CZ-CD1 3.71Å; F86-L90 HydrophobicContact CZ-CD2 3.4Å; F86-L90 HydrophobicContact CZ-CG 3.45Å; F86-L90 VanDerWaalsContact CZ-CG 3.45Å; F86-L90 PolarHBondContact O-N 3.49Å; K88-L90 PolarHBondContact O-N 2.85Å; L90-L95 HydrophobicContact CD2-CD2 4.24Å; L90-I204 HydrophobicContact CD1-CG2 3.84Å; L90-M205 HydrophobicContact CD1-CG 4.23Å |
| 91 | K | 76.2 | Confident | 82.8 | Confident | 137 Ų | 137 | 60.9 Ų | 60.9 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.7 | -33.4 | 177.6 | -67 | -179.2 | 178.6 | -178.6 | 0 | 112.6 | K88 Q89 M205 | K88-K91 PolarHBondContact O-N 2.81Å; Q89-K91 VanDerWaalsContact C-N 3.26Å; Q89-K91 PolarHBondContact O-N 3.16Å; K91-M205 VanDerWaalsContact CE-SD 3.52Å |
| 92 | L | 73.7 | Confident | 82.6 | Confident | 138 Ų | 138 | 57.4 Ų | 57.4 | 72% | 0.723 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -79.1 | -36.8 | -178.6 | -71.1 | 168.9 | 0 | 0 | 0 | 112.8 | K88 Q89 A94 | K88-L92 VanDerWaalsContact O-CG 3.32Å; K88-L92 WeakPolarHBondContact O-CG 3Å; K88-L92 PolarHBondContact O-N 3.33Å; K88-L92 VanDerWaalsContact O-N 3.12Å; Q89-L92 PolarHBondContact O-N 2.92Å; Q89-L92 VanDerWaalsContact O-N 3.1Å; L92-A94 PolarHBondContact O-N 3.39Å |
| 93 | N | 71.2 | Confident | 82.7 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 15 | -171.3 | -68.3 | -7.1 | 0 | 0 | 0 | 113.8 | Q89 L95 Q98 | Q89-N93 VanDerWaalsContact O-CB 3.27Å; Q89-N93 WeakPolarHBondContact O-CB 3.47Å; Q89-N93 VanDerWaalsContact O-CG 3.26Å; Q89-N93 PolarHBondContact O-N 2.89Å; N93-L95 PolarHBondContact O-N 3.29Å; N93-Q98 PolarHBondContact O-NE2 3.16Å |
| 94 | A | 76 | Confident | 82.9 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 61.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L92 D96 L97 Q98 | L92-A94 PolarHBondContact O-N 3.39Å; A94-D96 WeakPolarHBondContact CA-OD1 3.44Å; A94-D96 WeakPolarHBondContact CB-OD1 3.47Å; A94-D96 PolarHBondContact O-N 3.27Å; A94-D96 VanDerWaalsContact O-N 3.09Å; A94-L97 HydrophobicContact CB-CB 3.86Å; A94-L97 WeakPolarHBondContact O-CA 3.25Å; A94-L97 VanDerWaalsContact O-CB 3.32Å; A94-L97 WeakPolarHBondContact O-CB 3.28Å; A94-L97 PolarHBondContact O-N 3.5Å; A94-Q98 PolarHBondContact O-N 2.95Å; A94-Q98 VanDerWaalsContact O-N 3.14Å |
| 95 | L | 80.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.7 | -31.6 | 179 | 165.8 | 65.6 | 0 | 0 | 0 | 111.8 | F24 L90 N93 L97 Q98 I99 Y197 F200 E201 | F24-L95 HydrophobicContact CD1-CD1 3.46Å; F24-L95 VanDerWaalsContact CD1-CD1 3.46Å; F24-L95 HydrophobicContact CE1-CD1 3.14Å; F24-L95 HydrophobicContact CE1-CD2 3.87Å; F24-L95 HydrophobicContact CE1-CG 4.1Å; F24-L95 HydrophobicContact CZ-CD1 4.14Å; L90-L95 HydrophobicContact CD2-CD2 4.24Å; N93-L95 PolarHBondContact O-N 3.29Å; L95-L97 PolarHBondContact O-N 3.48Å; L95-Q98 PolarHBondContact O-N 3.3Å; L95-I99 HydrophobicContact CD1-CD1 3.92Å; L95-I99 HydrophobicContact CD1-CG1 3.93Å; L95-I99 HydrophobicContact CG-CD1 4.03Å; L95-I99 HydrophobicContact CG-CG1 4.44Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 3.09Å; L95-Y197 HydrophobicContact CB-CD2 4.46Å; L95-Y197 HydrophobicContact CB-CE2 3.73Å; L95-Y197 HydrophobicContact CD2-CD2 4.25Å; L95-Y197 HydrophobicContact CD2-CE2 3.91Å; L95-Y197 HydrophobicContact CG-CD2 3.99Å; L95-Y197 HydrophobicContact CG-CE2 3.68Å; L95-F200 HydrophobicContact CD2-CD1 4.35Å; L95-E201 HydrophobicContact CD2-CB 4.14Å; L95-E201 HydrophobicContact CD2-CG 4.25Å |
| 96 | D | 83.9 | Confident | 83.4 | Confident | 69 Ų | 69 | 55.6 Ų | 55.6 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 171.3 | 59.9 | -34.7 | 0 | 0 | 0 | 111.8 | A94 Q98 I99 L100 Y197 | A94-D96 WeakPolarHBondContact CA-OD1 3.44Å; A94-D96 WeakPolarHBondContact CB-OD1 3.47Å; A94-D96 PolarHBondContact O-N 3.27Å; A94-D96 VanDerWaalsContact O-N 3.09Å; D96-Q98 VanDerWaalsContact C-N 3.34Å; D96-Q98 PolarHBondContact O-N 3.32Å; D96-I99 PolarHBondContact O-N 3.28Å; D96-L100 WeakPolarHBondContact O-CB 3.28Å; D96-L100 PolarHBondContact O-N 3.4Å; D96-Y197 VanDerWaalsContact CA-CD2 3.46Å; D96-Y197 HydrophobicContact CB-CD1 4.08Å; D96-Y197 HydrophobicContact CB-CD2 3.76Å; D96-Y197 HydrophobicContact CB-CE1 3.98Å; D96-Y197 HydrophobicContact CB-CE2 3.67Å; D96-Y197 HydrophobicContact CB-CG 3.96Å |
| 97 | L | 84.6 | Confident | 84.1 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 52% | 0.518 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 178.2 | -168.1 | 68.4 | 0 | 0 | 0 | 112.1 | A94 L95 L100 T101 | A94-L97 HydrophobicContact CB-CB 3.86Å; A94-L97 WeakPolarHBondContact O-CA 3.25Å; A94-L97 VanDerWaalsContact O-CB 3.32Å; A94-L97 WeakPolarHBondContact O-CB 3.28Å; A94-L97 PolarHBondContact O-N 3.5Å; L95-L97 PolarHBondContact O-N 3.48Å; L97-L100 HydrophobicContact CD1-CD2 4.29Å; L97-L100 PolarHBondContact O-N 2.84Å; L97-T101 VanDerWaalsContact O-CB 3.31Å; L97-T101 WeakPolarHBondContact O-CB 3.33Å; L97-T101 PolarHBondContact O-N 3.43Å; L97-T101 PolarHBondContact O-OG1 3.38Å |
| 98 | Q | 85.5 | Confident | 84.5 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -49.8 | 176.6 | -61.4 | -168.8 | 15.9 | 0 | 0 | 111.2 | E25 N93 A94 L95 D96 L100 T101 A102 | E25-Q98 PolarHBondContact O-NE2 3.1Å; N93-Q98 PolarHBondContact O-NE2 3.16Å; A94-Q98 PolarHBondContact O-N 2.95Å; A94-Q98 VanDerWaalsContact O-N 3.14Å; L95-Q98 PolarHBondContact O-N 3.3Å; D96-Q98 VanDerWaalsContact C-N 3.34Å; D96-Q98 PolarHBondContact O-N 3.32Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 2.97Å; Q98-T101 PolarHBondContact O-N 3.5Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.13Å |
| 99 | I | 87.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.9 | -62.5 | 174.8 | 0 | 0 | 0 | 110.3 | L95 D96 T101 A102 L103 L119 V131 Y197 F200 | L95-I99 HydrophobicContact CD1-CD1 3.92Å; L95-I99 HydrophobicContact CD1-CG1 3.93Å; L95-I99 HydrophobicContact CG-CD1 4.03Å; L95-I99 HydrophobicContact CG-CG1 4.44Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 3.09Å; D96-I99 PolarHBondContact O-N 3.28Å; I99-T101 PolarHBondContact O-N 3.01Å; I99-A102 PolarHBondContact O-N 3.29Å; I99-L103 VanDerWaalsContact O-CB 3.27Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 PolarHBondContact O-N 3.09Å; I99-L119 HydrophobicContact CG2-CD2 4.18Å; I99-V131 HydrophobicContact CB-CG2 4.44Å; I99-V131 HydrophobicContact CG2-CG2 3.79Å; I99-Y197 HydrophobicContact CD1-CD2 4.19Å; I99-F200 HydrophobicContact CD1-CD1 3.84Å; I99-F200 HydrophobicContact CD1-CE1 4.33Å |
| 100 | L | 89.2 | Confident | 85.3 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 176.6 | -175.1 | 71.5 | 0 | 0 | 0 | 111.6 | D96 L97 Q98 R104 V131 I142 | D96-L100 WeakPolarHBondContact O-CB 3.28Å; D96-L100 PolarHBondContact O-N 3.4Å; L97-L100 HydrophobicContact CD1-CD2 4.29Å; L97-L100 PolarHBondContact O-N 2.84Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 2.97Å; L100-R104 WeakPolarHBondContact O-CB 3.46Å; L100-R104 PolarHBondContact O-N 2.96Å; L100-V131 HydrophobicContact CB-CG2 4.37Å; L100-V131 HydrophobicContact CD1-CB 4.43Å; L100-V131 HydrophobicContact CD1-CG2 4.21Å; L100-I142 HydrophobicContact CD1-CD1 3.48Å; L100-I142 VanDerWaalsContact CD1-CD1 3.48Å; L100-I142 HydrophobicContact CD1-CG1 3.77Å; L100-I142 HydrophobicContact CG-CD1 4.48Å |
| 101 | T | 89 | Confident | 85.9 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 179.8 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | L97 Q98 I99 L103 R104 S105 | L97-T101 VanDerWaalsContact O-CB 3.31Å; L97-T101 WeakPolarHBondContact O-CB 3.33Å; L97-T101 PolarHBondContact O-N 3.43Å; L97-T101 PolarHBondContact O-OG1 3.38Å; Q98-T101 PolarHBondContact O-N 3.5Å; I99-T101 PolarHBondContact O-N 3.01Å; T101-L103 PolarHBondContact O-N 2.98Å; T101-R104 PolarHBondContact O-N 3.41Å; T101-S105 WeakPolarHBondContact O-CB 3.47Å; T101-S105 PolarHBondContact O-N 3.31Å; T101-S105 PolarHBondContact O-OG 2.86Å |
| 102 | A | 89.7 | Confident | 86.5 | Confident | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -58.3 | -48.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L23 Q98 I99 L106 Y107 I115 L119 | L23-A102 HydrophobicContact CD2-CB 4.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.44Å; Q98-A102 PolarHBondContact O-N 3.13Å; I99-A102 PolarHBondContact O-N 3.29Å; A102-L106 CarbonylContact O-C 3.54Å; A102-L106 WeakPolarHBondContact O-CA 3.4Å; A102-L106 WeakPolarHBondContact O-CB 3.45Å; A102-L106 PolarHBondContact O-N 2.88Å; A102-Y107 PolarHBondContact O-N 3.21Å; A102-I115 HydrophobicContact CB-CG2 3.83Å; A102-L119 HydrophobicContact CB-CD1 4.38Å |
| 103 | L | 90.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -65.4 | -43.6 | 179.5 | -172 | 152.1 | 0 | 0 | 0 | 112.1 | I99 T101 Y107 L119 V131 I142 W143 | I99-L103 VanDerWaalsContact O-CB 3.27Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 PolarHBondContact O-N 3.09Å; T101-L103 PolarHBondContact O-N 2.98Å; L103-Y107 WeakPolarHBondContact O-CB 3.35Å; L103-L119 HydrophobicContact CB-CD1 4.05Å; L103-V131 HydrophobicContact CD1-CG2 4.49Å; L103-I142 HydrophobicContact CD1-CG2 4.37Å; L103-I142 HydrophobicContact CD2-CB 4.2Å; L103-I142 HydrophobicContact CD2-CG1 3.62Å; L103-I142 HydrophobicContact CD2-CG2 3.62Å; L103-W143 HydrophobicContact CD1-CH2 4Å; L103-W143 HydrophobicContact CD1-CZ2 3.39Å; L103-W143 HydrophobicContact CD2-CD2 4Å; L103-W143 HydrophobicContact CD2-CE3 4.11Å; L103-W143 HydrophobicContact CD2-CH2 4.23Å; L103-W143 HydrophobicContact CD2-CZ2 4.1Å; L103-W143 HydrophobicContact CD2-CZ3 4.24Å; L103-W143 HydrophobicContact CG-CD2 4.43Å; L103-W143 HydrophobicContact CG-CE3 4.47Å; L103-W143 HydrophobicContact CG-CH2 3.7Å; L103-W143 HydrophobicContact CG-CZ2 3.62Å; L103-W143 HydrophobicContact CG-CZ3 4.14Å |
| 104 | R | 91.3 | Very high | 88.2 | Confident | 114 Ų | 114 | 51.9 Ų | 51.9 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -71.5 | -42 | -176.6 | -176.3 | 174.9 | -113.6 | 151.5 | -1.4 | 112.6 | L100 T101 S145 S146 K147 | L100-R104 WeakPolarHBondContact O-CB 3.46Å; L100-R104 PolarHBondContact O-N 2.96Å; T101-R104 PolarHBondContact O-N 3.41Å; R104-S145 PolarHBondContact NE-OG 3.4Å; R104-S145 VanDerWaalsContact NE-OG 3.15Å; R104-S145 PolarHBondContact NH2-OG 3.49Å; R104-S146 CarbonylContact O-C 3.56Å; R104-S146 VanDerWaalsContact O-CA 3.29Å; R104-S146 WeakPolarHBondContact O-CA 3.31Å; R104-K147 PolarHBondContact O-N 3.5Å |
| 105 | S | 91.5 | Very high | 89 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -115.7 | -21.8 | -163.9 | 69.5 | 0 | 0 | 0 | 0 | 115.7 | T101 Q109 K147 | T101-S105 WeakPolarHBondContact O-CB 3.47Å; T101-S105 PolarHBondContact O-N 3.31Å; T101-S105 PolarHBondContact O-OG 2.86Å; S105-Q109 WeakPolarHBondContact O-CG 3.43Å; S105-K147 WeakPolarHBondContact O-CD 3.17Å |
| 106 | L | 92.4 | Very high | 89.6 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -115.9 | -26.4 | -170.8 | -52.7 | 177.1 | 0 | 0 | 0 | 112.4 | A102 G108 Q109 D112 I115 | A102-L106 CarbonylContact O-C 3.54Å; A102-L106 WeakPolarHBondContact O-CA 3.4Å; A102-L106 WeakPolarHBondContact O-CB 3.45Å; A102-L106 PolarHBondContact O-N 2.88Å; L106-G108 PolarHBondContact O-N 3.04Å; L106-Q109 WeakPolarHBondContact O-CB 3.4Å; L106-Q109 WeakPolarHBondContact O-CG 3.34Å; L106-Q109 PolarHBondContact O-N 2.99Å; L106-Q109 VanDerWaalsContact O-N 3.16Å; L106-D112 HydrophobicContact CB-CB 4.05Å; L106-D112 WeakPolarHBondContact CD2-OD2 3.29Å; L106-D112 WeakPolarHBondContact O-CB 3.48Å; L106-I115 HydrophobicContact CB-CD1 3.86Å; L106-I115 HydrophobicContact CB-CG2 4.09Å; L106-I115 HydrophobicContact CD1-CD1 3.37Å; L106-I115 HydrophobicContact CG-CD1 4.19Å |
| 107 | Y | 93.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.7 | 176.8 | -171.9 | -89.6 | 0 | 0 | 0 | 112 | A102 L103 Q109 T116 L119 D120 W143 W148 P161 | A102-Y107 PolarHBondContact O-N 3.21Å; L103-Y107 WeakPolarHBondContact O-CB 3.35Å; Y107-Q109 PolarHBondContact O-N 2.92Å; Y107-Q109 VanDerWaalsContact O-N 3.13Å; Y107-Q109 PolarHBondContact O-NE2 3.45Å; Y107-T116 HydrophobicContact CD2-CG2 4.01Å; Y107-T116 HydrophobicContact CE1-CG2 4.38Å; Y107-T116 HydrophobicContact CE2-CG2 3.62Å; Y107-L119 HydrophobicContact CD2-CB 3.92Å; Y107-L119 HydrophobicContact CD2-CD1 3.69Å; Y107-L119 HydrophobicContact CD2-CG 4.43Å; Y107-L119 HydrophobicContact CE2-CB 4.1Å; Y107-L119 HydrophobicContact CG-CD1 4.37Å; Y107-D120 WeakPolarHBondContact CE2-OD1 3.44Å; Y107-D120 VanDerWaalsContact CZ-OD1 3.31Å; Y107-D120 PolarHBondContact OH-OD1 3.39Å; Y107-W143 AromaticContact CD1-CH2 3.79Å; Y107-W143 HydrophobicContact CD1-CH2 3.79Å; Y107-W143 AromaticContact CD1-CZ3 3.45Å; Y107-W143 HydrophobicContact CD1-CZ3 3.45Å; Y107-W143 VanDerWaalsContact CD1-CZ3 3.45Å; Y107-W143 AromaticContact CD2-CH2 3.85Å; Y107-W143 HydrophobicContact CD2-CH2 3.85Å; Y107-W143 HydrophobicContact CD2-CZ3 4.34Å; Y107-W143 AromaticContact CE1-CH2 3.92Å; Y107-W143 HydrophobicContact CE1-CH2 3.92Å; Y107-W143 AromaticContact CE1-CZ3 3.75Å; Y107-W143 HydrophobicContact CE1-CZ3 3.75Å; Y107-W143 AromaticContact CE2-CH2 3.98Å; Y107-W143 HydrophobicContact CE2-CH2 3.98Å; Y107-W143 AromaticContact CG-CH2 3.75Å; Y107-W143 HydrophobicContact CG-CH2 3.75Å; Y107-W143 AromaticContact CG-CZ3 3.77Å; Y107-W143 HydrophobicContact CG-CZ3 3.77Å; Y107-W148 HydrophobicContact CD1-CB 3.75Å; Y107-W148 HydrophobicContact CD1-CD2 4.13Å; Y107-W148 AromaticContact CD1-CG 3.67Å; Y107-W148 HydrophobicContact CD1-CG 3.67Å; Y107-W148 HydrophobicContact CE1-CB 4.44Å; Y107-W148 AromaticContact CE1-CD1 3.96Å; Y107-W148 AromaticContact CE1-CD2 3.95Å; Y107-W148 HydrophobicContact CE1-CD2 3.95Å; Y107-W148 AromaticContact CE1-CG 3.86Å; Y107-W148 HydrophobicContact CE1-CG 3.86Å; Y107-W148 WeakPolarHBondContact O-CB 3.19Å; Y107-P161 HydrophobicContact CE1-CB 4.04Å; Y107-P161 WeakPolarHBondContact OH-CB 3.43Å |
| 108 | G | 90.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 7.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L106 T116 | L106-G108 PolarHBondContact O-N 3.04Å; G108-T116 PolarHBondContact N-OG1 3.18Å |
| 109 | Q | 90.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | trans | -80.9 | 137.4 | 175.6 | -55.7 | -50.9 | -66.1 | 0 | 0 | 109.8 | S105 L106 Y107 P111 D112 | S105-Q109 WeakPolarHBondContact O-CG 3.43Å; L106-Q109 WeakPolarHBondContact O-CB 3.4Å; L106-Q109 WeakPolarHBondContact O-CG 3.34Å; L106-Q109 PolarHBondContact O-N 2.99Å; L106-Q109 VanDerWaalsContact O-N 3.16Å; Y107-Q109 PolarHBondContact O-N 2.92Å; Y107-Q109 VanDerWaalsContact O-N 3.13Å; Y107-Q109 PolarHBondContact O-NE2 3.45Å; Q109-P111 VanDerWaalsContact C-CD 3.44Å; Q109-P111 HydrophobicContact CB-CG 4.46Å; Q109-D112 HydrophobicContact CB-CB 4.35Å; Q109-D112 PolarHBondContact O-N 2.98Å | ||
| 110 | P | 87.6 | Confident | 91.3 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 68% | 0.675 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -51.4 | -40.6 | 180 | -26.6 | 33.8 | 0 | 0 | 0 | 116.4 | D112 | P110-D112 VanDerWaalsContact C-N 3.3Å; P110-D112 PolarHBondContact O-N 3.33Å |
| 111 | P | 88.6 | Confident | 91.5 | Very high | 108 Ų | 108 | 49.8 Ų | 49.8 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -73.7 | -19.3 | 177.6 | 28.1 | -34.4 | 0 | 0 | 0 | 113.9 | Q109 | Q109-P111 VanDerWaalsContact C-CD 3.44Å; Q109-P111 HydrophobicContact CB-CG 4.46Å |
| 112 | D | 87.9 | Confident | 91.7 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -112.1 | 33.3 | -167.6 | -60.1 | -54.9 | 0 | 0 | 0 | 112.3 | L106 Q109 P110 A114 I115 T116 | L106-D112 HydrophobicContact CB-CB 4.05Å; L106-D112 WeakPolarHBondContact CD2-OD2 3.29Å; L106-D112 WeakPolarHBondContact O-CB 3.48Å; Q109-D112 HydrophobicContact CB-CB 4.35Å; Q109-D112 PolarHBondContact O-N 2.98Å; P110-D112 VanDerWaalsContact C-N 3.3Å; P110-D112 PolarHBondContact O-N 3.33Å; D112-A114 PolarHBondContact O-N 3.44Å; D112-I115 HydrophobicContact CB-CB 4.36Å; D112-I115 HydrophobicContact CB-CD1 4.2Å; D112-I115 HydrophobicContact CB-CG1 4.5Å; D112-I115 WeakPolarHBondContact O-CB 3.49Å; D112-I115 PolarHBondContact O-N 3.3Å; D112-T116 PolarHBondContact O-N 3.47Å; D112-T116 VanDerWaalsContact O-N 3.12Å; D112-T116 PolarHBondContact O-OG1 3.38Å |
| 113 | Q | 91.2 | Very high | 92 | Very high | 137 Ų | 137 | 46.3 Ų | 46.3 | 64% | 0.64 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -56.7 | -35.6 | 179.4 | -71.8 | -177.9 | -6.6 | 0 | 0 | 112.5 | I115 T116 V117 | Q113-I115 VanDerWaalsContact C-N 3.29Å; Q113-I115 PolarHBondContact O-N 3.45Å; Q113-T116 WeakPolarHBondContact O-CB 3.4Å; Q113-T116 PolarHBondContact O-N 3.45Å; Q113-V117 WeakPolarHBondContact O-CG2 3.41Å; Q113-V117 PolarHBondContact O-N 2.95Å |
| 114 | A | 91.3 | Very high | 92.1 | Very high | 67 Ų | 67 | 49 Ų | 49 | 55% | 0.554 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.8 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A22 D112 A118 | A22-A114 HydrophobicContact CB-CB 4.1Å; D112-A114 PolarHBondContact O-N 3.44Å; A114-A118 VanDerWaalsContact O-CB 3.29Å; A114-A118 WeakPolarHBondContact O-CB 3.24Å; A114-A118 PolarHBondContact O-N 3.11Å |
| 115 | I | 91.7 | Very high | 92.1 | Very high | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 177 | -63.5 | 178.9 | 0 | 0 | 0 | 110.4 | A22 L23 A102 L106 D112 Q113 A118 L119 | A22-I115 HydrophobicContact CB-CG1 4.06Å; L23-I115 HydrophobicContact CD2-CG2 4.26Å; A102-I115 HydrophobicContact CB-CG2 3.83Å; L106-I115 HydrophobicContact CB-CD1 3.86Å; L106-I115 HydrophobicContact CB-CG2 4.09Å; L106-I115 HydrophobicContact CD1-CD1 3.37Å; L106-I115 HydrophobicContact CG-CD1 4.19Å; D112-I115 HydrophobicContact CB-CB 4.36Å; D112-I115 HydrophobicContact CB-CD1 4.2Å; D112-I115 HydrophobicContact CB-CG1 4.5Å; D112-I115 WeakPolarHBondContact O-CB 3.49Å; D112-I115 PolarHBondContact O-N 3.3Å; Q113-I115 VanDerWaalsContact C-N 3.29Å; Q113-I115 PolarHBondContact O-N 3.45Å; I115-A118 PolarHBondContact O-N 3.12Å; I115-L119 HydrophobicContact CG2-CD1 4.15Å; I115-L119 WeakPolarHBondContact O-CB 3.43Å; I115-L119 PolarHBondContact O-N 2.94Å |
| 116 | T | 93.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -51.8 | 175.9 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | Y107 G108 D112 Q113 A118 L119 D120 | Y107-T116 HydrophobicContact CD2-CG2 4.01Å; Y107-T116 HydrophobicContact CE1-CG2 4.38Å; Y107-T116 HydrophobicContact CE2-CG2 3.62Å; G108-T116 PolarHBondContact N-OG1 3.18Å; D112-T116 PolarHBondContact O-N 3.47Å; D112-T116 VanDerWaalsContact O-N 3.12Å; D112-T116 PolarHBondContact O-OG1 3.38Å; Q113-T116 WeakPolarHBondContact O-CB 3.4Å; Q113-T116 PolarHBondContact O-N 3.45Å; T116-A118 VanDerWaalsContact C-N 3.32Å; T116-A118 PolarHBondContact O-N 3.26Å; T116-L119 PolarHBondContact O-N 3.48Å; T116-D120 VanDerWaalsContact O-CG 3.28Å; T116-D120 PolarHBondContact O-N 3Å |
| 117 | V | 93.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | Q113 D120 M121 | Q113-V117 WeakPolarHBondContact O-CG2 3.41Å; Q113-V117 PolarHBondContact O-N 2.95Å; V117-D120 PolarHBondContact O-N 3.29Å; V117-M121 HydrophobicContact CG1-CE 3.7Å; V117-M121 HydrophobicContact CG1-CG 4.4Å; V117-M121 HydrophobicContact CG1-SD 4.1Å; V117-M121 WeakPolarHBondContact O-CB 3.17Å; V117-M121 VanDerWaalsContact O-CG 3.29Å; V117-M121 WeakPolarHBondContact O-CG 3.4Å; V117-M121 PolarHBondContact O-N 3.12Å |
| 118 | A | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P19 F20 A22 L23 A114 I115 T116 L122 | P19-A118 VanDerWaalsContact O-CB 3.24Å; P19-A118 WeakPolarHBondContact O-CB 3.34Å; F20-A118 WeakPolarHBondContact CE1-O 3.49Å; A22-A118 HydrophobicContact CB-CB 4.36Å; L23-A118 HydrophobicContact CD1-CB 4.07Å; L23-A118 HydrophobicContact CD2-CB 4.05Å; L23-A118 HydrophobicContact CG-CB 3.79Å; A114-A118 VanDerWaalsContact O-CB 3.29Å; A114-A118 WeakPolarHBondContact O-CB 3.24Å; A114-A118 PolarHBondContact O-N 3.11Å; I115-A118 PolarHBondContact O-N 3.12Å; T116-A118 VanDerWaalsContact C-N 3.32Å; T116-A118 PolarHBondContact O-N 3.26Å; A118-L122 VanDerWaalsContact O-CB 3.28Å; A118-L122 WeakPolarHBondContact O-CB 3.4Å; A118-L122 PolarHBondContact O-N 2.91Å |
| 119 | L | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 176.1 | -77.7 | 174.3 | 0 | 0 | 0 | 112.1 | L23 I99 A102 L103 Y107 I115 T116 L122 Q123 | L23-L119 HydrophobicContact CD2-CD2 3.79Å; L23-L119 HydrophobicContact CD2-CG 3.76Å; I99-L119 HydrophobicContact CG2-CD2 4.18Å; A102-L119 HydrophobicContact CB-CD1 4.38Å; L103-L119 HydrophobicContact CB-CD1 4.05Å; Y107-L119 HydrophobicContact CD2-CB 3.92Å; Y107-L119 HydrophobicContact CD2-CD1 3.69Å; Y107-L119 HydrophobicContact CD2-CG 4.43Å; Y107-L119 HydrophobicContact CE2-CB 4.1Å; Y107-L119 HydrophobicContact CG-CD1 4.37Å; I115-L119 HydrophobicContact CG2-CD1 4.15Å; I115-L119 WeakPolarHBondContact O-CB 3.43Å; I115-L119 PolarHBondContact O-N 2.94Å; T116-L119 PolarHBondContact O-N 3.48Å; L119-L122 HydrophobicContact CD2-CD2 4.21Å; L119-L122 WeakPolarHBondContact O-CB 3.37Å; L119-L122 PolarHBondContact O-N 3.2Å; L119-Q123 VanDerWaalsContact O-CG 3.3Å; L119-Q123 WeakPolarHBondContact O-CG 3.27Å; L119-Q123 PolarHBondContact O-N 2.94Å |
| 120 | D | 95 | Very high | 92.1 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 176.8 | -70.6 | -16.6 | 0 | 0 | 0 | 110.8 | Y107 T116 V117 L122 Q123 E124 S163 | Y107-D120 WeakPolarHBondContact CE2-OD1 3.44Å; Y107-D120 VanDerWaalsContact CZ-OD1 3.31Å; Y107-D120 PolarHBondContact OH-OD1 3.39Å; T116-D120 VanDerWaalsContact O-CG 3.28Å; T116-D120 PolarHBondContact O-N 3Å; V117-D120 PolarHBondContact O-N 3.29Å; D120-L122 VanDerWaalsContact C-N 3.27Å; D120-L122 PolarHBondContact O-N 3.38Å; D120-Q123 PolarHBondContact O-N 3.2Å; D120-E124 WeakPolarHBondContact O-CG 3.35Å; D120-E124 PolarHBondContact O-N 2.8Å; D120-S163 PolarHBondContact OD1-OG 3.21Å |
| 121 | M | 94 | Very high | 92 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 41% | 0.414 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 175.4 | -73.8 | -175.7 | 178.3 | 0 | 0 | 112.2 | P19 F20 V117 Q125 | P19-M121 HydrophobicContact CB-SD 3.49Å; P19-M121 WeakPolarHBondContact CB-SD 3.42Å; P19-M121 HydrophobicContact CG-CE 4.36Å; P19-M121 HydrophobicContact CG-SD 3.56Å; P19-M121 VanDerWaalsContact CG-SD 3.56Å; F20-M121 HydrophobicContact CE1-CB 3.97Å; F20-M121 HydrophobicContact CZ-CB 4.16Å; V117-M121 HydrophobicContact CG1-CE 3.7Å; V117-M121 HydrophobicContact CG1-CG 4.4Å; V117-M121 HydrophobicContact CG1-SD 4.1Å; V117-M121 WeakPolarHBondContact O-CB 3.17Å; V117-M121 VanDerWaalsContact O-CG 3.29Å; V117-M121 WeakPolarHBondContact O-CG 3.4Å; V117-M121 PolarHBondContact O-N 3.12Å; M121-Q125 WeakPolarHBondContact O-CB 3.1Å; M121-Q125 PolarHBondContact O-N 3.01Å |
| 122 | L | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 179 | -179.5 | 72.2 | 0 | 0 | 0 | 110.1 | F20 L23 A118 L119 D120 F126 C196 F200 | F20-L122 HydrophobicContact CD1-CB 4.36Å; F20-L122 HydrophobicContact CD1-CD1 4.44Å; F20-L122 HydrophobicContact CE1-CB 3.8Å; F20-L122 HydrophobicContact CE1-CD1 4.15Å; L23-L122 HydrophobicContact CD1-CD2 4.31Å; A118-L122 VanDerWaalsContact O-CB 3.28Å; A118-L122 WeakPolarHBondContact O-CB 3.4Å; A118-L122 PolarHBondContact O-N 2.91Å; L119-L122 HydrophobicContact CD2-CD2 4.21Å; L119-L122 WeakPolarHBondContact O-CB 3.37Å; L119-L122 PolarHBondContact O-N 3.2Å; D120-L122 VanDerWaalsContact C-N 3.27Å; D120-L122 PolarHBondContact O-N 3.38Å; L122-F126 HydrophobicContact CD1-CD2 3.59Å; L122-F126 HydrophobicContact CD1-CE2 3.8Å; L122-F126 HydrophobicContact CG-CD2 4.38Å; L122-F126 WeakPolarHBondContact O-CB 3.17Å; L122-F126 VanDerWaalsContact O-CD2 3.31Å; L122-F126 WeakPolarHBondContact O-CD2 3.32Å; L122-F126 PolarHBondContact O-N 2.97Å; L122-C196 HydrophobicContact CD2-CB 3.85Å; L122-C196 HydrophobicContact CG-CB 4.22Å; L122-F200 HydrophobicContact CD1-CB 3.8Å; L122-F200 HydrophobicContact CD1-CD1 3.91Å; L122-F200 HydrophobicContact CD1-CD2 3.2Å; L122-F200 HydrophobicContact CD1-CE1 4.21Å; L122-F200 HydrophobicContact CD1-CE2 3.6Å; L122-F200 HydrophobicContact CD1-CG 3.37Å; L122-F200 HydrophobicContact CD1-CZ 4.07Å |
| 123 | Q | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | -178.3 | -71.4 | 179 | -28.5 | 0 | 0 | 112.3 | L119 D120 R127 C128 W143 S163 C164 | L119-Q123 VanDerWaalsContact O-CG 3.3Å; L119-Q123 WeakPolarHBondContact O-CG 3.27Å; L119-Q123 PolarHBondContact O-N 2.94Å; D120-Q123 PolarHBondContact O-N 3.2Å; Q123-R127 VanDerWaalsContact O-CA 3.28Å; Q123-R127 WeakPolarHBondContact O-CA 3.43Å; Q123-R127 PolarHBondContact O-N 3.3Å; Q123-C128 WeakPolarHBondContact CA-O 3.38Å; Q123-C128 VanDerWaalsContact CB-O 3.32Å; Q123-C128 WeakPolarHBondContact CB-O 3.5Å; Q123-C128 WeakPolarHBondContact CG-O 3.48Å; Q123-C128 PolarHBondContact O-N 3.44Å; Q123-C128 VanDerWaalsContact O-N 3.15Å; Q123-W143 VanDerWaalsContact NE2-CZ2 3.28Å; Q123-S163 WeakPolarHBondContact CB-O 3.32Å; Q123-S163 PolarHBondContact OE1-OG 3.04Å; Q123-C164 VanDerWaalsContact CD-SG 3.59Å; Q123-C164 PolarHBondContact NE2-SG 3.43Å |
| 124 | E | 93.3 | Very high | 88.7 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 178.3 | -68.5 | -165.6 | 167.1 | 0 | 0 | 112.2 | D120 R167 Y172 | D120-E124 WeakPolarHBondContact O-CG 3.35Å; D120-E124 PolarHBondContact O-N 2.8Å; E124-R167 VanDerWaalsContact CD-NH1 3.28Å; E124-R167 IonicContact OE1-NH1 2.76Å; E124-R167 PolarHBondContact OE1-NH1 2.89Å; E124-R167 IonicContact OE2-CZ 3.95Å; E124-R167 IonicContact OE2-NH1 3.68Å; E124-R167 PolarHBondContact OE2-NH1 3.39Å; E124-R167 IonicContact OE2-NH2 2.75Å; E124-Y172 PolarHBondContact OE1-OH 3.5Å |
| 125 | Q | 92.7 | Very high | 86.5 | Confident | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.9 | -40.5 | -177.3 | -176.7 | 169 | 20.6 | 0 | 0 | 112.1 | F20 M121 | F20-Q125 VanDerWaalsContact CZ-OE1 3.24Å; M121-Q125 WeakPolarHBondContact O-CB 3.1Å; M121-Q125 PolarHBondContact O-N 3.01Å |
| 126 | F | 92.7 | Very high | 84.4 | Confident | 25 Ų | 25 | 51.3 Ų | 51.3 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -97.6 | 2.8 | -176.4 | -67.6 | -84.4 | 0 | 0 | 0 | 113.7 | L122 C128 R199 F200 H203 | L122-F126 HydrophobicContact CD1-CD2 3.59Å; L122-F126 HydrophobicContact CD1-CE2 3.8Å; L122-F126 HydrophobicContact CG-CD2 4.38Å; L122-F126 WeakPolarHBondContact O-CB 3.17Å; L122-F126 VanDerWaalsContact O-CD2 3.31Å; L122-F126 WeakPolarHBondContact O-CD2 3.32Å; L122-F126 PolarHBondContact O-N 2.97Å; F126-C128 VanDerWaalsContact C-N 3.29Å; F126-C128 HydrophobicContact CB-CB 4.5Å; F126-C128 PolarHBondContact O-N 2.93Å; F126-R199 HydrophobicContact CB-CB 4.49Å; F126-R199 HydrophobicContact CD1-CB 4.29Å; F126-R199 PolarHBondContact O-NH1 3.43Å; F126-F200 HydrophobicContact CD2-CD2 4.36Å; F126-F200 AromaticContact CE2-CD2 3.68Å; F126-F200 HydrophobicContact CE2-CD2 3.68Å; F126-F200 HydrophobicContact CE2-CE2 4.24Å; F126-F200 AromaticContact CZ-CD2 3.87Å; F126-F200 HydrophobicContact CZ-CD2 3.87Å; F126-H203 HydrophobicContact CE1-CB 3.5Å; F126-H203 VanDerWaalsContact CE1-CB 3.5Å; F126-H203 AromaticContact CE1-CD2 3.81Å; F126-H203 AromaticContact CE1-CG 3.52Å; F126-H203 HydrophobicContact CZ-CB 3.94Å; F126-H203 AromaticContact CZ-CD2 3.48Å; F126-H203 VanDerWaalsContact CZ-CD2 3.48Å; F126-H203 WeakPolarHBondContact CZ-CD2 3.36Å; F126-H203 AromaticContact CZ-CG 3.71Å |
| 127 | R | 93.2 | Very high | 82.6 | Confident | 165 Ų | 165 | 51.4 Ų | 51.4 | 62% | 0.623 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 55.2 | -180 | -63.2 | -177 | 179.2 | 172.4 | -0.3 | 110.8 | Q123 Y192 R199 | Q123-R127 VanDerWaalsContact O-CA 3.28Å; Q123-R127 WeakPolarHBondContact O-CA 3.43Å; Q123-R127 PolarHBondContact O-N 3.3Å; R127-Y192 VanDerWaalsContact C-CG 3.41Å; R127-Y192 HydrophobicContact CB-CD1 3.73Å; R127-Y192 HydrophobicContact CB-CE1 3.57Å; R127-Y192 HydrophobicContact CB-CE2 4.39Å; R127-Y192 HydrophobicContact CB-CG 4.23Å; R127-Y192 HydrophobicContact CG-CD1 4.45Å; R127-Y192 HydrophobicContact CG-CE1 3.79Å; R127-Y192 HydrophobicContact CG-CE2 4.49Å; R127-R199 PolarHBondContact O-NH1 3Å |
| 128 | C | 92.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -136.3 | 162.5 | -173.8 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | Q123 F126 Q194 G195 C196 | Q123-C128 WeakPolarHBondContact CA-O 3.38Å; Q123-C128 VanDerWaalsContact CB-O 3.32Å; Q123-C128 WeakPolarHBondContact CB-O 3.5Å; Q123-C128 WeakPolarHBondContact CG-O 3.48Å; Q123-C128 PolarHBondContact O-N 3.44Å; Q123-C128 VanDerWaalsContact O-N 3.15Å; F126-C128 VanDerWaalsContact C-N 3.29Å; F126-C128 HydrophobicContact CB-CB 4.5Å; F126-C128 PolarHBondContact O-N 2.93Å; C128-Q194 CarbonylContact C-O 3.55Å; C128-Q194 WeakPolarHBondContact CA-O 3.39Å; C128-Q194 WeakPolarHBondContact CB-O 3.46Å; C128-G195 WeakPolarHBondContact CB-O 3.47Å; C128-C196 VanDerWaalsContact C-SG 3.5Å; C128-C196 HydrophobicContact CB-CB 3.94Å; C128-C196 WeakPolarHBondContact CB-SG 3.26Å; C128-C196 WeakPolarHBondContact SG-CA 3.05Å; C128-C196 WeakPolarHBondContact SG-CB 3.49Å; C128-C196 CovalentContact SG-SG 2.04Å; C128-C196 PolarHBondContact SG-SG 3.21Å | ||
| 129 | C | 91.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -141.6 | 136.4 | 173.6 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | C164 Y192 Q194 | C129-C164 HydrophobicContact CB-CB 3.67Å; C129-C164 WeakPolarHBondContact CB-SG 3.29Å; C129-C164 WeakPolarHBondContact SG-CB 3.41Å; C129-C164 CovalentContact SG-SG 2.04Å; C129-C164 PolarHBondContact SG-SG 3.27Å; C129-Y192 WeakPolarHBondContact CB-O 3.46Å; C129-Q194 PolarHBondContact N-O 2.92Å | ||
| 130 | G | 88.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 70.1 | -159.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N139 C196 | G130-N139 WeakPolarHBondContact CA-O 3.43Å; G130-C196 VanDerWaalsContact O-CB 3.26Å; G130-C196 WeakPolarHBondContact O-CB 3.45Å; G130-C196 PolarHBondContact O-N 2.97Å; G130-C196 VanDerWaalsContact O-N 3.15Å; G130-C196 PolarHBondContact O-SG 3.45Å |
| 131 | V | 85.2 | Confident | 78.7 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -108 | 150.1 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | I99 L100 L103 E133 N139 | I99-V131 HydrophobicContact CB-CG2 4.44Å; I99-V131 HydrophobicContact CG2-CG2 3.79Å; L100-V131 HydrophobicContact CB-CG2 4.37Å; L100-V131 HydrophobicContact CD1-CB 4.43Å; L100-V131 HydrophobicContact CD1-CG2 4.21Å; L103-V131 HydrophobicContact CD1-CG2 4.49Å; V131-E133 PolarHBondContact O-N 3.15Å; V131-N139 PolarHBondContact O-OD1 2.87Å; V131-N139 VanDerWaalsContact O-OD1 3.12Å |
| 132 | D | 80.7 | Confident | 78.3 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -56 | 138.7 | 177.5 | -64.3 | -47.2 | 0 | 0 | 0 | 111 | L134 N139 G195 Y197 R198 | D132-L134 PolarHBondContact O-N 2.9Å; D132-N139 WeakPolarHBondContact CA-OD1 3.43Å; D132-G195 WeakPolarHBondContact OD1-CA 3.25Å; D132-G195 PolarHBondContact OD1-N 2.99Å; D132-Y197 WeakPolarHBondContact OD2-CB 3.01Å; D132-R198 WeakPolarHBondContact OD2-CA 3.32Å; D132-R198 WeakPolarHBondContact OD2-CB 3Å; D132-R198 PolarHBondContact OD2-N 3.02Å |
| 133 | E | 61.1 | Low | 78.2 | Confident | 103 Ų | 103 | 48.3 Ų | 48.3 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | trans | -45.7 | 121.9 | -170.9 | -53.8 | -160.9 | 163.8 | 0 | 0 | 111.7 | V131 G137 A138 N139 | V131-E133 PolarHBondContact O-N 3.15Å; E133-G137 WeakPolarHBondContact CB-O 3.37Å; E133-G137 WeakPolarHBondContact CG-O 3.5Å; E133-A138 VanDerWaalsContact OE1-CA 3.25Å; E133-A138 WeakPolarHBondContact OE1-CA 3.34Å; E133-N139 HydrophobicContact CG-CB 4.38Å; E133-N139 VanDerWaalsContact CG-CG 3.43Å; E133-N139 WeakPolarHBondContact CG-OD1 3.47Å; E133-N139 PolarHBondContact N-OD1 3.21Å; E133-N139 PolarHBondContact OE1-N 3.3Å | ||
| 134 | L | 55.4 | Low | 77.8 | Confident | 124 Ų | 124 | 53 Ų | 53 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | trans | -52.7 | 144.9 | 146.9 | -81.3 | 89.7 | 0 | 0 | 0 | 107.3 | D132 G136 G137 | D132-L134 PolarHBondContact O-N 2.9Å; L134-G136 PolarHBondContact O-N 2.81Å; L134-G137 PolarHBondContact O-N 3.1Å; L134-G137 VanDerWaalsContact O-N 3.11Å | ||
| 135 | P | 46.1 | Very low | 77.5 | Confident | 139 Ų | 139 | 51.9 Ų | 51.9 | 90% | 0.903 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 113.1 | -174.5 | -23.9 | 30.8 | 0 | 0 | 0 | 112 | ||
| 136 | G | 47.8 | Very low | 77.5 | Confident | 88 Ų | 88 | 47.4 Ų | 47.4 | 91% | 0.907 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 12.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | L134 | L134-G136 PolarHBondContact O-N 2.81Š|
| 137 | G | 56.1 | Low | 77.5 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -129.4 | 125.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E133 L134 N139 | E133-G137 WeakPolarHBondContact CB-O 3.37Å; E133-G137 WeakPolarHBondContact CG-O 3.5Å; L134-G137 PolarHBondContact O-N 3.1Å; L134-G137 VanDerWaalsContact O-N 3.11Å; G137-N139 PolarHBondContact O-N 3.12Å |
| 138 | A | 62.7 | Low | 77.5 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 24% | 0.24 | 27% | 0.268 | C | S | . | . | trans | -52.4 | 130.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | E133 F140 T141 | E133-A138 VanDerWaalsContact OE1-CA 3.25Å; E133-A138 WeakPolarHBondContact OE1-CA 3.34Å; A138-F140 HydrophobicContact CB-CD2 4.14Å; A138-F140 HydrophobicContact CB-CE1 3.87Å; A138-F140 HydrophobicContact CB-CE2 3.24Å; A138-F140 HydrophobicContact CB-CZ 3.12Å; A138-F140 PolarHBondContact O-N 3.49Å; A138-T141 HydrophobicContact CB-CG2 4.09Å; A138-T141 WeakPolarHBondContact O-CB 3.28Å; A138-T141 WeakPolarHBondContact O-CG2 3.4Å; A138-T141 PolarHBondContact O-N 2.74Å; A138-T141 PolarHBondContact O-OG1 3.48Å | ||
| 139 | N | 74.6 | Confident | 77.5 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | -30.3 | -170.4 | -69.7 | -53.3 | 0 | 0 | 0 | 115.9 | G130 V131 D132 E133 G137 I142 T193 G195 | G130-N139 WeakPolarHBondContact CA-O 3.43Å; V131-N139 PolarHBondContact O-OD1 2.87Å; V131-N139 VanDerWaalsContact O-OD1 3.12Å; D132-N139 WeakPolarHBondContact CA-OD1 3.43Å; E133-N139 HydrophobicContact CG-CB 4.38Å; E133-N139 VanDerWaalsContact CG-CG 3.43Å; E133-N139 WeakPolarHBondContact CG-OD1 3.47Å; E133-N139 PolarHBondContact N-OD1 3.21Å; E133-N139 PolarHBondContact OE1-N 3.3Å; G137-N139 PolarHBondContact O-N 3.12Å; N139-I142 WeakPolarHBondContact O-CG2 3.41Å; N139-T193 PolarHBondContact ND2-O 2.6Å; N139-G195 PolarHBondContact ND2-N 3.3Å |
| 140 | F | 77.5 | Confident | 77.4 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -8.6 | -174.7 | 43.2 | -102.7 | 0 | 0 | 0 | 114.1 | A138 I142 W143 V160 L183 P186 | A138-F140 HydrophobicContact CB-CD2 4.14Å; A138-F140 HydrophobicContact CB-CE1 3.87Å; A138-F140 HydrophobicContact CB-CE2 3.24Å; A138-F140 HydrophobicContact CB-CZ 3.12Å; A138-F140 PolarHBondContact O-N 3.49Å; F140-I142 PolarHBondContact O-N 3.28Å; F140-I142 VanDerWaalsContact O-N 3.13Å; F140-W143 WeakPolarHBondContact O-CB 3.35Å; F140-W143 PolarHBondContact O-N 3.14Å; F140-V160 HydrophobicContact CB-CG1 4.26Å; F140-L183 HydrophobicContact CB-CD2 4.44Å; F140-L183 HydrophobicContact CD2-CB 3.61Å; F140-L183 HydrophobicContact CD2-CD1 4.03Å; F140-L183 HydrophobicContact CD2-CD2 3.6Å; F140-L183 HydrophobicContact CD2-CG 3.92Å; F140-L183 HydrophobicContact CE2-CB 3.5Å; F140-L183 HydrophobicContact CE2-CD2 4.17Å; F140-L183 HydrophobicContact CE2-CG 4.3Å; F140-L183 WeakPolarHBondContact CE2-O 3.5Å; F140-L183 HydrophobicContact CG-CD2 4.07Å; F140-L183 WeakPolarHBondContact CZ-O 3.5Å; F140-P186 HydrophobicContact CE1-CB 3.84Å; F140-P186 HydrophobicContact CE1-CG 3.55Å; F140-P186 HydrophobicContact CZ-CB 3.92Å; F140-P186 HydrophobicContact CZ-CG 3.51Å |
| 141 | T | 79.2 | Confident | 77.6 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 40% | 0.399 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -60.1 | -27.1 | -179 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | A138 W143 R144 | A138-T141 HydrophobicContact CB-CG2 4.09Å; A138-T141 WeakPolarHBondContact O-CB 3.28Å; A138-T141 WeakPolarHBondContact O-CG2 3.4Å; A138-T141 PolarHBondContact O-N 2.74Å; A138-T141 PolarHBondContact O-OG1 3.48Å; T141-W143 PolarHBondContact O-N 3.24Å; T141-R144 PolarHBondContact O-N 3.4Å; T141-R144 VanDerWaalsContact O-N 3.14Å |
| 142 | I | 85.8 | Confident | 77.9 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 9% | 0.092 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -54.2 | -33.9 | 174.9 | -172.7 | 64.6 | 0 | 0 | 0 | 112.7 | L100 L103 N139 F140 R144 S145 S146 | L100-I142 HydrophobicContact CD1-CD1 3.48Å; L100-I142 VanDerWaalsContact CD1-CD1 3.48Å; L100-I142 HydrophobicContact CD1-CG1 3.77Å; L100-I142 HydrophobicContact CG-CD1 4.48Å; L103-I142 HydrophobicContact CD1-CG2 4.37Å; L103-I142 HydrophobicContact CD2-CB 4.2Å; L103-I142 HydrophobicContact CD2-CG1 3.62Å; L103-I142 HydrophobicContact CD2-CG2 3.62Å; N139-I142 WeakPolarHBondContact O-CG2 3.41Å; F140-I142 PolarHBondContact O-N 3.28Å; F140-I142 VanDerWaalsContact O-N 3.13Å; I142-R144 VanDerWaalsContact C-N 3.29Å; I142-R144 PolarHBondContact O-N 2.85Å; I142-S145 CarbonylContact O-C 3.42Å; I142-S145 WeakPolarHBondContact O-CA 3.39Å; I142-S145 PolarHBondContact O-N 3.31Å; I142-S145 PolarHBondContact O-OG 2.91Å; I142-S146 PolarHBondContact O-N 2.9Å |
| 143 | W | 89.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -59.8 | -37.3 | -179.8 | -75.2 | 110 | 0 | 0 | 0 | 112.8 | L103 Y107 Q123 F140 T141 S145 S146 W148 H149 L159 V160 P161 | L103-W143 HydrophobicContact CD1-CH2 4Å; L103-W143 HydrophobicContact CD1-CZ2 3.39Å; L103-W143 HydrophobicContact CD2-CD2 4Å; L103-W143 HydrophobicContact CD2-CE3 4.11Å; L103-W143 HydrophobicContact CD2-CH2 4.23Å; L103-W143 HydrophobicContact CD2-CZ2 4.1Å; L103-W143 HydrophobicContact CD2-CZ3 4.24Å; L103-W143 HydrophobicContact CG-CD2 4.43Å; L103-W143 HydrophobicContact CG-CE3 4.47Å; L103-W143 HydrophobicContact CG-CH2 3.7Å; L103-W143 HydrophobicContact CG-CZ2 3.62Å; L103-W143 HydrophobicContact CG-CZ3 4.14Å; Y107-W143 AromaticContact CD1-CH2 3.79Å; Y107-W143 HydrophobicContact CD1-CH2 3.79Å; Y107-W143 AromaticContact CD1-CZ3 3.45Å; Y107-W143 HydrophobicContact CD1-CZ3 3.45Å; Y107-W143 VanDerWaalsContact CD1-CZ3 3.45Å; Y107-W143 AromaticContact CD2-CH2 3.85Å; Y107-W143 HydrophobicContact CD2-CH2 3.85Å; Y107-W143 HydrophobicContact CD2-CZ3 4.34Å; Y107-W143 AromaticContact CE1-CH2 3.92Å; Y107-W143 HydrophobicContact CE1-CH2 3.92Å; Y107-W143 AromaticContact CE1-CZ3 3.75Å; Y107-W143 HydrophobicContact CE1-CZ3 3.75Å; Y107-W143 AromaticContact CE2-CH2 3.98Å; Y107-W143 HydrophobicContact CE2-CH2 3.98Å; Y107-W143 AromaticContact CG-CH2 3.75Å; Y107-W143 HydrophobicContact CG-CH2 3.75Å; Y107-W143 AromaticContact CG-CZ3 3.77Å; Y107-W143 HydrophobicContact CG-CZ3 3.77Å; Q123-W143 VanDerWaalsContact NE2-CZ2 3.28Å; F140-W143 WeakPolarHBondContact O-CB 3.35Å; F140-W143 PolarHBondContact O-N 3.14Å; T141-W143 PolarHBondContact O-N 3.24Å; W143-S145 PolarHBondContact O-N 2.71Å; W143-S145 VanDerWaalsContact O-N 3.17Å; W143-S146 WeakPolarHBondContact O-CB 3.36Å; W143-S146 PolarHBondContact O-N 3.41Å; W143-S146 PolarHBondContact O-OG 3.43Å; W143-W148 HydrophobicContact CE3-CE3 4.07Å; W143-W148 HydrophobicContact CE3-CZ3 4.42Å; W143-W148 HydrophobicContact CZ3-CE3 4.27Å; W143-H149 WeakPolarHBondContact O-CB 3.29Å; W143-L159 WeakPolarHBondContact CB-O 3.28Å; W143-V160 HydrophobicContact CB-CG1 4.33Å; W143-V160 HydrophobicContact CG-CG1 4.12Å; W143-P161 HydrophobicContact CD2-CG 4.34Å; W143-P161 VanDerWaalsContact CE2-CD 3.45Å; W143-P161 HydrophobicContact CE3-CG 4.4Å; W143-P161 HydrophobicContact CH2-CG 3.56Å; W143-P161 HydrophobicContact CZ2-CG 3.49Å; W143-P161 VanDerWaalsContact CZ2-CG 3.49Å; W143-P161 HydrophobicContact CZ3-CG 4.02Å |
| 144 | R | 87.1 | Confident | 79.5 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 38% | 0.377 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -60.7 | -26.9 | 175.3 | -72 | -174.5 | 177.1 | 154 | 3.2 | 112.9 | T141 I142 H149 L159 L183 | T141-R144 PolarHBondContact O-N 3.4Å; T141-R144 VanDerWaalsContact O-N 3.14Å; I142-R144 VanDerWaalsContact C-N 3.29Å; I142-R144 PolarHBondContact O-N 2.85Å; R144-H149 PolarHBondContact O-CD2 3.09Å; R144-H149 VanDerWaalsContact O-CD2 3.26Å; R144-L159 HydrophobicContact CG-CD2 4.42Å; R144-L183 HydrophobicContact CG-CD1 3.94Å |
| 145 | S | 87.4 | Confident | 80.9 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -96.6 | 3.1 | 177.9 | 75 | 0 | 0 | 0 | 0 | 114 | R104 I142 W143 | R104-S145 PolarHBondContact NE-OG 3.4Å; R104-S145 VanDerWaalsContact NE-OG 3.15Å; R104-S145 PolarHBondContact NH2-OG 3.49Å; I142-S145 CarbonylContact O-C 3.42Å; I142-S145 WeakPolarHBondContact O-CA 3.39Å; I142-S145 PolarHBondContact O-N 3.31Å; I142-S145 PolarHBondContact O-OG 2.91Å; W143-S145 PolarHBondContact O-N 2.71Å; W143-S145 VanDerWaalsContact O-N 3.17Å |
| 146 | S | 91.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -76.6 | 147.3 | 178.1 | 71.5 | 0 | 0 | 0 | 0 | 111.4 | R104 I142 W143 W148 H149 M150 | R104-S146 CarbonylContact O-C 3.56Å; R104-S146 VanDerWaalsContact O-CA 3.29Å; R104-S146 WeakPolarHBondContact O-CA 3.31Å; I142-S146 PolarHBondContact O-N 2.9Å; W143-S146 WeakPolarHBondContact O-CB 3.36Å; W143-S146 PolarHBondContact O-N 3.41Å; W143-S146 PolarHBondContact O-OG 3.43Å; S146-W148 PolarHBondContact O-N 3.46Å; S146-H149 PolarHBondContact O-N 3Å; S146-H149 VanDerWaalsContact O-N 3.16Å; S146-H149 WeakPolarHBondContact OG-CB 3.21Å; S146-H149 PolarHBondContact OG-N 2.87Å; S146-H149 VanDerWaalsContact OG-N 3.14Å; S146-M150 WeakPolarHBondContact O-CG 3.14Å; S146-M150 PolarHBondContact O-N 3.27Å |
| 147 | K | 93 | Very high | 84.6 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 45% | 0.452 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58 | -37.4 | 172.7 | -71.8 | -169.4 | -173.1 | 169.4 | 0 | 111.8 | R104 S105 H149 M150 N151 | R104-K147 PolarHBondContact O-N 3.5Å; S105-K147 WeakPolarHBondContact O-CD 3.17Å; K147-H149 VanDerWaalsContact C-N 3.33Å; K147-H149 PolarHBondContact O-N 2.85Å; K147-M150 PolarHBondContact O-N 3.49Å; K147-N151 VanDerWaalsContact O-CB 3.26Å; K147-N151 WeakPolarHBondContact O-CB 3.47Å; K147-N151 PolarHBondContact O-N 2.89Å; K147-N151 PolarHBondContact O-ND2 3.24Å; K147-N151 PolarHBondContact O-OD1 3.01Å |
| 148 | W | 93.5 | Very high | 86.4 | Confident | 48 Ų | 48 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58 | -43.2 | 175.8 | 173.7 | 81.7 | 0 | 0 | 0 | 112.7 | Y107 W143 S146 Q152 L158 V160 | Y107-W148 HydrophobicContact CD1-CB 3.75Å; Y107-W148 HydrophobicContact CD1-CD2 4.13Å; Y107-W148 AromaticContact CD1-CG 3.67Å; Y107-W148 HydrophobicContact CD1-CG 3.67Å; Y107-W148 HydrophobicContact CE1-CB 4.44Å; Y107-W148 AromaticContact CE1-CD1 3.96Å; Y107-W148 AromaticContact CE1-CD2 3.95Å; Y107-W148 HydrophobicContact CE1-CD2 3.95Å; Y107-W148 AromaticContact CE1-CG 3.86Å; Y107-W148 HydrophobicContact CE1-CG 3.86Å; Y107-W148 WeakPolarHBondContact O-CB 3.19Å; W143-W148 HydrophobicContact CE3-CE3 4.07Å; W143-W148 HydrophobicContact CE3-CZ3 4.42Å; W143-W148 HydrophobicContact CZ3-CE3 4.27Å; S146-W148 PolarHBondContact O-N 3.46Å; W148-Q152 VanDerWaalsContact CD2-NE2 3.28Å; W148-Q152 VanDerWaalsContact CE2-NE2 3.28Å; W148-Q152 VanDerWaalsContact CE3-NE2 3.26Å; W148-Q152 VanDerWaalsContact CH2-NE2 3.32Å; W148-Q152 VanDerWaalsContact CZ2-NE2 3.32Å; W148-Q152 VanDerWaalsContact CZ3-NE2 3.27Å; W148-Q152 WeakPolarHBondContact O-CG 3.27Å; W148-Q152 PolarHBondContact O-NE2 3.36Å; W148-L158 HydrophobicContact CH2-CB 3.63Å; W148-L158 HydrophobicContact CH2-CD1 4.39Å; W148-L158 HydrophobicContact CZ2-CB 4.27Å; W148-L158 HydrophobicContact CZ2-CD1 4.26Å; W148-L158 HydrophobicContact CZ3-CB 4.45Å; W148-V160 WeakPolarHBondContact CH2-O 3.38Å |
| 149 | H | 91.8 | Very high | 87.7 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69 | -44.5 | 176 | 179.6 | 75.5 | 0 | 0 | 0 | 112 | W143 R144 S146 K147 N151 Q152 L158 | W143-H149 WeakPolarHBondContact O-CB 3.29Å; R144-H149 PolarHBondContact O-CD2 3.09Å; R144-H149 VanDerWaalsContact O-CD2 3.26Å; S146-H149 PolarHBondContact O-N 3Å; S146-H149 VanDerWaalsContact O-N 3.16Å; S146-H149 WeakPolarHBondContact OG-CB 3.21Å; S146-H149 PolarHBondContact OG-N 2.87Å; S146-H149 VanDerWaalsContact OG-N 3.14Å; K147-H149 VanDerWaalsContact C-N 3.33Å; K147-H149 PolarHBondContact O-N 2.85Å; H149-N151 VanDerWaalsContact C-N 3.34Å; H149-N151 PolarHBondContact O-N 3.36Å; H149-Q152 PolarHBondContact O-N 3.28Å; H149-L158 PolarHBondContact ND1-O 3.31Å |
| 150 | M | 91.1 | Very high | 88.6 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.5 | -34.1 | -177.4 | -66.8 | -170.5 | -177.6 | 0 | 0 | 113.3 | S146 K147 Q152 | S146-M150 WeakPolarHBondContact O-CG 3.14Å; S146-M150 PolarHBondContact O-N 3.27Å; K147-M150 PolarHBondContact O-N 3.49Å; M150-Q152 PolarHBondContact O-N 2.99Å |
| 151 | N | 91.8 | Very high | 89.4 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -6.7 | -179.8 | -68.1 | -8.1 | 0 | 0 | 0 | 113.4 | K147 H149 | K147-N151 VanDerWaalsContact O-CB 3.26Å; K147-N151 WeakPolarHBondContact O-CB 3.47Å; K147-N151 PolarHBondContact O-N 2.89Å; K147-N151 PolarHBondContact O-ND2 3.24Å; K147-N151 PolarHBondContact O-OD1 3.01Å; H149-N151 VanDerWaalsContact C-N 3.34Å; H149-N151 PolarHBondContact O-N 3.36Å |
| 152 | Q | 91.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -78.4 | 147.2 | 178.7 | -77.6 | 172 | 68.7 | 0 | 0 | 112.7 | W148 H149 M150 A154 R157 L158 | W148-Q152 VanDerWaalsContact CD2-NE2 3.28Å; W148-Q152 VanDerWaalsContact CE2-NE2 3.28Å; W148-Q152 VanDerWaalsContact CE3-NE2 3.26Å; W148-Q152 VanDerWaalsContact CH2-NE2 3.32Å; W148-Q152 VanDerWaalsContact CZ2-NE2 3.32Å; W148-Q152 VanDerWaalsContact CZ3-NE2 3.27Å; W148-Q152 WeakPolarHBondContact O-CG 3.27Å; W148-Q152 PolarHBondContact O-NE2 3.36Å; H149-Q152 PolarHBondContact O-N 3.28Å; M150-Q152 PolarHBondContact O-N 2.99Å; Q152-A154 PolarHBondContact O-N 3.44Å; Q152-R157 HydrophobicContact CB-CG 4Å; Q152-R157 PolarHBondContact O-NE 2.92Å; Q152-L158 VanDerWaalsContact OE1-CB 3.29Å |
| 153 | P | 89.9 | Confident | 90.5 | Very high | 93 Ų | 93 | 60 Ų | 60 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | trans | -60.6 | 133.7 | 176.4 | 26 | -34.1 | 0 | 0 | 0 | 110.6 | N155 N156 R157 | P153-N155 PolarHBondContact O-N 2.93Å; P153-N156 CarbonylContact O-C 3.26Å; P153-N156 PolarHBondContact O-N 3.35Å; P153-R157 VanDerWaalsContact O-CG 3.22Å; P153-R157 WeakPolarHBondContact O-CG 3.23Å; P153-R157 PolarHBondContact O-N 2.85Å | ||
| 154 | A | 86.1 | Confident | 90.7 | Very high | 68 Ų | 68 | 60 Ų | 60 | 56% | 0.562 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -51.6 | -37 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q152 N156 | Q152-A154 PolarHBondContact O-N 3.44Å; A154-N156 VanDerWaalsContact C-N 3.29Å; A154-N156 PolarHBondContact O-N 3.16Å |
| 155 | N | 83.6 | Confident | 91.1 | Very high | 168 Ų | 168 | 55.3 Ų | 55.3 | 90% | 0.898 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -76.3 | -12.7 | -174.5 | -61.3 | -6.7 | 0 | 0 | 0 | 114.1 | P153 | P153-N155 PolarHBondContact O-N 2.93Š|
| 156 | N | 84.2 | Confident | 91.4 | Very high | 100 Ų | 100 | 54.8 Ų | 54.8 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -142.1 | 38.2 | -177.8 | -162.2 | 26.2 | 0 | 0 | 0 | 111.4 | P153 A154 L158 | P153-N156 CarbonylContact O-C 3.26Å; P153-N156 PolarHBondContact O-N 3.35Å; A154-N156 VanDerWaalsContact C-N 3.29Å; A154-N156 PolarHBondContact O-N 3.16Å; N156-L158 PolarHBondContact O-N 3.01Å |
| 157 | R | 88.7 | Confident | 91.5 | Very high | 120 Ų | 120 | 58.8 Ų | 58.8 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | trans | -71 | 115.1 | 179.2 | -69.7 | -169.7 | 179.3 | 151.1 | 0.7 | 110.4 | Q152 P153 | Q152-R157 HydrophobicContact CB-CG 4Å; Q152-R157 PolarHBondContact O-NE 2.92Å; P153-R157 VanDerWaalsContact O-CG 3.22Å; P153-R157 WeakPolarHBondContact O-CG 3.23Å; P153-R157 PolarHBondContact O-N 2.85Å | ||
| 158 | L | 92.7 | Very high | 91.3 | Very high | 39 Ų | 39 | 60 Ų | 60 | 20% | 0.204 | 31% | 0.312 | C | S | . | . | trans | -77.9 | 133.3 | 172 | -54.7 | 169.3 | 0 | 0 | 0 | 108.7 | W148 H149 Q152 N156 Q179 | W148-L158 HydrophobicContact CH2-CB 3.63Å; W148-L158 HydrophobicContact CH2-CD1 4.39Å; W148-L158 HydrophobicContact CZ2-CB 4.27Å; W148-L158 HydrophobicContact CZ2-CD1 4.26Å; W148-L158 HydrophobicContact CZ3-CB 4.45Å; H149-L158 PolarHBondContact ND1-O 3.31Å; Q152-L158 VanDerWaalsContact OE1-CB 3.29Å; N156-L158 PolarHBondContact O-N 3.01Å; L158-Q179 HydrophobicContact CB-CB 4.41Å; L158-Q179 HydrophobicContact CD2-CB 3.86Å | ||
| 159 | L | 90.8 | Very high | 91.2 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -80.1 | -28.3 | -176.4 | -68.1 | 169.9 | 0 | 0 | 0 | 112.6 | W143 R144 Q179 T181 L183 | W143-L159 WeakPolarHBondContact CB-O 3.28Å; R144-L159 HydrophobicContact CG-CD2 4.42Å; L159-Q179 WeakPolarHBondContact CB-O 3.37Å; L159-Q179 PolarHBondContact N-O 3.35Å; L159-T181 WeakPolarHBondContact CD1-O 3.36Å; L159-L183 HydrophobicContact CB-CD1 4.25Å; L159-L183 HydrophobicContact CB-CD2 4.36Å; L159-L183 HydrophobicContact CB-CG 4.36Å; L159-L183 HydrophobicContact CD1-CG 4.37Å; L159-L183 HydrophobicContact CD2-CD1 4.49Å |
| 160 | V | 93 | Very high | 91 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -144.8 | 155 | 179.6 | -65 | 0 | 0 | 0 | 0 | 110.3 | F140 W143 W148 C164 Q179 L183 I191 | F140-V160 HydrophobicContact CB-CG1 4.26Å; W143-V160 HydrophobicContact CB-CG1 4.33Å; W143-V160 HydrophobicContact CG-CG1 4.12Å; W148-V160 WeakPolarHBondContact CH2-O 3.38Å; V160-C164 HydrophobicContact CB-CB 4.09Å; V160-C164 HydrophobicContact CG2-CB 4.19Å; V160-Q179 PolarHBondContact O-NE2 2.98Å; V160-L183 HydrophobicContact CG1-CD2 4.09Å; V160-I191 HydrophobicContact CG1-CD1 4.09Å; V160-I191 HydrophobicContact CG2-CD1 4.05Å |
| 161 | P | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | trans | -68.8 | 161 | 172.5 | 32.1 | -39.2 | 0 | 0 | 0 | 112.1 | Y107 W143 S163 C164 | Y107-P161 HydrophobicContact CE1-CB 4.04Å; Y107-P161 WeakPolarHBondContact OH-CB 3.43Å; W143-P161 HydrophobicContact CD2-CG 4.34Å; W143-P161 VanDerWaalsContact CE2-CD 3.45Å; W143-P161 HydrophobicContact CE3-CG 4.4Å; W143-P161 HydrophobicContact CH2-CG 3.56Å; W143-P161 HydrophobicContact CZ2-CG 3.49Å; W143-P161 VanDerWaalsContact CZ2-CG 3.49Å; W143-P161 HydrophobicContact CZ3-CG 4.02Å; P161-S163 WeakPolarHBondContact CG-OG 3.44Å; P161-S163 PolarHBondContact O-N 3.42Å; P161-C164 WeakPolarHBondContact O-CB 3.33Å; P161-C164 PolarHBondContact O-N 3.13Å; P161-C164 VanDerWaalsContact O-N 3.15Å | ||
| 162 | L | 94.2 | Very high | 91 | Very high | 74 Ų | 74 | 68.5 Ų | 68.5 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -60.7 | -31.1 | 179.5 | -85.4 | 113.7 | 0 | 0 | 0 | 113.2 | C164 C165 Y172 | L162-C164 PolarHBondContact O-N 2.88Å; L162-C165 VanDerWaalsContact O-CB 3.23Å; L162-C165 WeakPolarHBondContact O-CB 3.11Å; L162-C165 PolarHBondContact O-N 2.9Å; L162-Y172 HydrophobicContact CD2-CD2 4.04Å; L162-Y172 HydrophobicContact CD2-CE2 3.79Å; L162-Y172 VanDerWaalsContact O-CE1 3.22Å; L162-Y172 WeakPolarHBondContact O-CE1 3.26Å |
| 163 | S | 94.6 | Very high | 91 | Very high | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.028 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -61.5 | -21.5 | 177 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | D120 Q123 P161 C165 | D120-S163 PolarHBondContact OD1-OG 3.21Å; Q123-S163 WeakPolarHBondContact CB-O 3.32Å; Q123-S163 PolarHBondContact OE1-OG 3.04Å; P161-S163 WeakPolarHBondContact CG-OG 3.44Å; P161-S163 PolarHBondContact O-N 3.42Å; S163-C165 VanDerWaalsContact C-N 3.29Å |
| 164 | C | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -76.7 | -14.5 | 171.9 | -78.8 | 0 | 0 | 0 | 0 | 113.5 | Q123 C129 V160 P161 L162 I191 Y192 | Q123-C164 VanDerWaalsContact CD-SG 3.59Å; Q123-C164 PolarHBondContact NE2-SG 3.43Å; C129-C164 HydrophobicContact CB-CB 3.67Å; C129-C164 WeakPolarHBondContact CB-SG 3.29Å; C129-C164 WeakPolarHBondContact SG-CB 3.41Å; C129-C164 CovalentContact SG-SG 2.04Å; C129-C164 PolarHBondContact SG-SG 3.27Å; V160-C164 HydrophobicContact CB-CB 4.09Å; V160-C164 HydrophobicContact CG2-CB 4.19Å; P161-C164 WeakPolarHBondContact O-CB 3.33Å; P161-C164 PolarHBondContact O-N 3.13Å; P161-C164 VanDerWaalsContact O-N 3.15Å; L162-C164 PolarHBondContact O-N 2.88Å; C164-I191 HydrophobicContact CB-CG1 4.47Å; C164-Y192 VanDerWaalsContact O-CD2 3.3Å; C164-Y192 WeakPolarHBondContact O-CD2 2.97Å; C164-Y192 PolarHBondContact O-N 2.91Å |
| 165 | C | 94.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.014 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -84.1 | 143.1 | -173.4 | -54.9 | 0 | 0 | 0 | 0 | 112 | L162 S163 R167 Y172 C178 Y190 Y192 | L162-C165 VanDerWaalsContact O-CB 3.23Å; L162-C165 WeakPolarHBondContact O-CB 3.11Å; L162-C165 PolarHBondContact O-N 2.9Å; S163-C165 VanDerWaalsContact C-N 3.29Å; C165-R167 PolarHBondContact O-N 3.3Å; C165-Y172 HydrophobicContact CB-CD1 3.8Å; C165-Y172 HydrophobicContact CB-CE1 4.31Å; C165-C178 WeakPolarHBondContact CA-SG 3.48Å; C165-C178 HydrophobicContact CB-CB 3.67Å; C165-C178 WeakPolarHBondContact CB-SG 3.32Å; C165-C178 WeakPolarHBondContact SG-CB 3.35Å; C165-C178 CovalentContact SG-SG 2.03Å; C165-C178 PolarHBondContact SG-SG 3.01Å; C165-Y190 WeakPolarHBondContact CA-O 3.47Å; C165-Y192 WeakPolarHBondContact O-CE2 3.39Å |
| 166 | V | 94.3 | Very high | 91.8 | Very high | 24 Ų | 24 | 62.5 Ų | 62.5 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | trans | -65.4 | 127.2 | 179.2 | 178.2 | 0 | 0 | 0 | 0 | 110 | V173 Y190 Y192 | V166-V173 HydrophobicContact CB-CG2 4.27Å; V166-V173 HydrophobicContact CG1-CG2 3.91Å; V166-V173 PolarHBondContact O-N 3.38Å; V166-Y190 PolarHBondContact N-O 3.44Å; V166-Y192 HydrophobicContact CB-CE1 4.27Å; V166-Y192 HydrophobicContact CG1-CE1 4.37Å; V166-Y192 HydrophobicContact CG2-CD1 3.87Å; V166-Y192 HydrophobicContact CG2-CE1 3.78Å | ||
| 167 | R | 92.9 | Very high | 92.1 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 32% | 0.317 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134 | 175.8 | -159.6 | 172.2 | 70.6 | -150.3 | -4.6 | 111.5 | E124 C165 G169 K171 Y172 Y192 | E124-R167 VanDerWaalsContact CD-NH1 3.28Å; E124-R167 IonicContact OE1-NH1 2.76Å; E124-R167 PolarHBondContact OE1-NH1 2.89Å; E124-R167 IonicContact OE2-CZ 3.95Å; E124-R167 IonicContact OE2-NH1 3.68Å; E124-R167 PolarHBondContact OE2-NH1 3.39Å; E124-R167 IonicContact OE2-NH2 2.75Å; C165-R167 PolarHBondContact O-N 3.3Å; R167-G169 PolarHBondContact NE-O 2.97Å; R167-G169 VanDerWaalsContact NE-O 3.13Å; R167-K171 WeakPolarHBondContact CA-O 3.29Å; R167-K171 VanDerWaalsContact CG-O 3.22Å; R167-K171 WeakPolarHBondContact CG-O 3.49Å; R167-Y172 HydrophobicContact CB-CD1 4.37Å; R167-Y172 HydrophobicContact CG-CD1 4.49Å; R167-Y192 PolarHBondContact N-OH 3.42Å |
| 168 | I | 90.5 | Very high | 92.2 | Very high | 128 Ų | 128 | 53.4 Ų | 53.4 | 66% | 0.656 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 111.3 | 169.4 | -60.9 | 177 | 0 | 0 | 0 | 107.5 | Q170 K171 V173 | I168-Q170 PolarHBondContact O-N 2.95Å; I168-K171 PolarHBondContact N-O 3.5Å; I168-K171 PolarHBondContact O-N 2.89Å; I168-V173 HydrophobicContact CD1-CG2 3.62Å; I168-V173 HydrophobicContact CG1-CG2 3.67Å |
| 169 | G | 89.5 | Confident | 92.2 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | -120 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R167 | R167-G169 PolarHBondContact NE-O 2.97Å; R167-G169 VanDerWaalsContact NE-O 3.13Å |
| 170 | Q | 87.5 | Confident | 92.1 | Very high | 171 Ų | 171 | 56.9 Ų | 56.9 | 80% | 0.799 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 5.7 | -179.7 | -63.1 | -63.3 | -26.9 | 0 | 0 | 113.5 | I168 | I168-Q170 PolarHBondContact O-N 2.95Š|
| 171 | K | 92.4 | Very high | 91.3 | Very high | 168 Ų | 168 | 57.8 Ų | 57.8 | 73% | 0.73 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.6 | -176 | -65.4 | -175.1 | 179.1 | -178.1 | 0 | 111.6 | R167 I168 | R167-K171 WeakPolarHBondContact CA-O 3.29Å; R167-K171 VanDerWaalsContact CG-O 3.22Å; R167-K171 WeakPolarHBondContact CG-O 3.49Å; I168-K171 PolarHBondContact N-O 3.5Å; I168-K171 PolarHBondContact O-N 2.89Å |
| 172 | Y | 91.9 | Very high | 90.5 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 30% | 0.302 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.8 | 168.3 | -62.1 | -76.1 | 0 | 0 | 0 | 109.1 | E124 L162 C165 R167 | E124-Y172 PolarHBondContact OE1-OH 3.5Å; L162-Y172 HydrophobicContact CD2-CD2 4.04Å; L162-Y172 HydrophobicContact CD2-CE2 3.79Å; L162-Y172 VanDerWaalsContact O-CE1 3.22Å; L162-Y172 WeakPolarHBondContact O-CE1 3.26Å; C165-Y172 HydrophobicContact CB-CD1 3.8Å; C165-Y172 HydrophobicContact CB-CE1 4.31Å; R167-Y172 HydrophobicContact CB-CD1 4.37Å; R167-Y172 HydrophobicContact CG-CD1 4.49Å |
| 173 | V | 91.9 | Very high | 89.7 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -58.8 | -51.9 | 179.7 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | V166 I168 Y190 | V166-V173 HydrophobicContact CB-CG2 4.27Å; V166-V173 HydrophobicContact CG1-CG2 3.91Å; V166-V173 PolarHBondContact O-N 3.38Å; I168-V173 HydrophobicContact CD1-CG2 3.62Å; I168-V173 HydrophobicContact CG1-CG2 3.67Å; V173-Y190 HydrophobicContact CB-CD1 4.34Å; V173-Y190 HydrophobicContact CG1-CD1 3.79Å; V173-Y190 HydrophobicContact CG1-CE1 3.83Å |
| 174 | N | 91.8 | Very high | 88.9 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | trans | -158.6 | 100 | 173.1 | -169.1 | -28.3 | 0 | 0 | 0 | 109.5 | S176 A177 C178 Y190 | N174-S176 PolarHBondContact OD1-N 2.92Å; N174-S176 PolarHBondContact OD1-OG 3.47Å; N174-A177 HydrophobicContact CB-CB 3.86Å; N174-A177 WeakPolarHBondContact OD1-CB 3.34Å; N174-A177 PolarHBondContact OD1-N 2.86Å; N174-C178 VanDerWaalsContact O-CB 3.3Å; N174-C178 WeakPolarHBondContact O-CB 3.19Å; N174-C178 PolarHBondContact O-N 2.89Å; N174-C178 VanDerWaalsContact O-N 3.09Å; N174-Y190 HydrophobicContact CB-CD1 3.66Å; N174-Y190 HydrophobicContact CB-CE1 3.82Å | ||
| 175 | S | 92.1 | Very high | 88.3 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 33% | 0.329 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | -177.7 | 51 | 0 | 0 | 0 | 0 | 112.4 | C178 Q179 | S175-C178 PolarHBondContact O-N 2.76Å; S175-Q179 WeakPolarHBondContact O-CB 3.49Å; S175-Q179 VanDerWaalsContact O-CG 3.29Å; S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.45Å |
| 176 | S | 91 | Very high | 87.7 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 179 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | N174 C178 Q179 Q180 | N174-S176 PolarHBondContact OD1-N 2.92Å; N174-S176 PolarHBondContact OD1-OG 3.47Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.49Å; S176-Q179 PolarHBondContact O-N 3.36Å; S176-Q180 WeakPolarHBondContact O-CB 3.31Å; S176-Q180 WeakPolarHBondContact O-CG 3.37Å; S176-Q180 PolarHBondContact O-N 3.46Å |
| 177 | A | 90.7 | Very high | 87.4 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N174 T181 Y190 | N174-A177 HydrophobicContact CB-CB 3.86Å; N174-A177 WeakPolarHBondContact OD1-CB 3.34Å; N174-A177 PolarHBondContact OD1-N 2.86Å; A177-T181 WeakPolarHBondContact O-CA 3.39Å; A177-T181 WeakPolarHBondContact O-CB 3.48Å; A177-T181 PolarHBondContact O-N 2.68Å; A177-Y190 HydrophobicContact CB-CD2 4.19Å; A177-Y190 HydrophobicContact CB-CE2 4.49Å; A177-Y190 HydrophobicContact CB-CG 4.23Å |
| 178 | C | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 175.5 | 168 | 0 | 0 | 0 | 0 | 112.7 | C165 N174 S175 S176 Q180 T181 | C165-C178 WeakPolarHBondContact CA-SG 3.48Å; C165-C178 HydrophobicContact CB-CB 3.67Å; C165-C178 WeakPolarHBondContact CB-SG 3.32Å; C165-C178 WeakPolarHBondContact SG-CB 3.35Å; C165-C178 CovalentContact SG-SG 2.03Å; C165-C178 PolarHBondContact SG-SG 3.01Å; N174-C178 VanDerWaalsContact O-CB 3.3Å; N174-C178 WeakPolarHBondContact O-CB 3.19Å; N174-C178 PolarHBondContact O-N 2.89Å; N174-C178 VanDerWaalsContact O-N 3.09Å; S175-C178 PolarHBondContact O-N 2.76Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.49Å; C178-Q180 VanDerWaalsContact C-N 3.29Å; C178-Q180 PolarHBondContact O-N 2.86Å; C178-T181 WeakPolarHBondContact O-CG2 3.3Å; C178-T181 PolarHBondContact O-N 3.23Å |
| 179 | Q | 92.9 | Very high | 87.1 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.075 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -77.7 | -13.9 | -172.9 | -64.6 | -174.2 | -67 | 0 | 0 | 114 | L158 L159 V160 S175 S176 | L158-Q179 HydrophobicContact CB-CB 4.41Å; L158-Q179 HydrophobicContact CD2-CB 3.86Å; L159-Q179 WeakPolarHBondContact CB-O 3.37Å; L159-Q179 PolarHBondContact N-O 3.35Å; V160-Q179 PolarHBondContact O-NE2 2.98Å; S175-Q179 WeakPolarHBondContact O-CB 3.49Å; S175-Q179 VanDerWaalsContact O-CG 3.29Å; S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 3.45Å; S176-Q179 PolarHBondContact O-N 3.36Å |
| 180 | Q | 87.3 | Confident | 87.2 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 7.1 | 176.8 | -58.7 | 179.8 | -1.6 | 0 | 0 | 112.7 | S176 C178 | S176-Q180 WeakPolarHBondContact O-CB 3.31Å; S176-Q180 WeakPolarHBondContact O-CG 3.37Å; S176-Q180 PolarHBondContact O-N 3.46Å; C178-Q180 VanDerWaalsContact C-N 3.29Å; C178-Q180 PolarHBondContact O-N 2.86Å |
| 181 | T | 76.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -62.6 | 147.9 | -177.1 | -158.5 | 0 | 0 | 0 | 0 | 112.1 | L159 A177 C178 L183 I191 | L159-T181 WeakPolarHBondContact CD1-O 3.36Å; A177-T181 WeakPolarHBondContact O-CA 3.39Å; A177-T181 WeakPolarHBondContact O-CB 3.48Å; A177-T181 PolarHBondContact O-N 2.68Å; C178-T181 WeakPolarHBondContact O-CG2 3.3Å; C178-T181 PolarHBondContact O-N 3.23Å; T181-L183 HydrophobicContact CG2-CD2 3.99Å; T181-L183 PolarHBondContact O-N 3.16Å; T181-I191 HydrophobicContact CG2-CD1 4.4Å; T181-I191 HydrophobicContact CG2-CG2 4.47Å |
| 182 | D | 77.1 | Confident | 87.3 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | trans | -68.1 | 106.1 | 168.1 | -176.7 | 8.6 | 0 | 0 | 0 | 109.4 | K184 N185 | D182-K184 PolarHBondContact O-N 3.06Å; D182-K184 WeakPolarHBondContact OD1-CB 3.05Å; D182-K184 PolarHBondContact OD1-N 2.97Å; D182-N185 CarbonylContact O-C 3.59Å; D182-N185 VanDerWaalsContact O-C 3.26Å; D182-N185 PolarHBondContact O-N 3.14Å | ||
| 183 | L | 78.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.8 | 175.4 | -60.8 | -172.9 | 0 | 0 | 0 | 112.3 | F140 R144 L159 V160 T181 N185 | F140-L183 HydrophobicContact CB-CD2 4.44Å; F140-L183 HydrophobicContact CD2-CB 3.61Å; F140-L183 HydrophobicContact CD2-CD1 4.03Å; F140-L183 HydrophobicContact CD2-CD2 3.6Å; F140-L183 HydrophobicContact CD2-CG 3.92Å; F140-L183 HydrophobicContact CE2-CB 3.5Å; F140-L183 HydrophobicContact CE2-CD2 4.17Å; F140-L183 HydrophobicContact CE2-CG 4.3Å; F140-L183 WeakPolarHBondContact CE2-O 3.5Å; F140-L183 HydrophobicContact CG-CD2 4.07Å; F140-L183 WeakPolarHBondContact CZ-O 3.5Å; R144-L183 HydrophobicContact CG-CD1 3.94Å; L159-L183 HydrophobicContact CB-CD1 4.25Å; L159-L183 HydrophobicContact CB-CD2 4.36Å; L159-L183 HydrophobicContact CB-CG 4.36Å; L159-L183 HydrophobicContact CD1-CG 4.37Å; L159-L183 HydrophobicContact CD2-CD1 4.49Å; V160-L183 HydrophobicContact CG1-CD2 4.09Å; T181-L183 HydrophobicContact CG2-CD2 3.99Å; T181-L183 PolarHBondContact O-N 3.16Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 3.32Å |
| 184 | K | 77.6 | Confident | 86.9 | Confident | 161 Ų | 161 | 59 Ų | 59 | 70% | 0.7 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -33.7 | 176 | -66.1 | -177.5 | 178.8 | -178.4 | 0 | 113 | D182 | D182-K184 PolarHBondContact O-N 3.06Å; D182-K184 WeakPolarHBondContact OD1-CB 3.05Å; D182-K184 PolarHBondContact OD1-N 2.97Å |
| 185 | N | 80 | Confident | 86.8 | Confident | 136 Ų | 136 | 56.2 Ų | 56.2 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -134.2 | 69.8 | -178.4 | -69.1 | -46 | 0 | 0 | 0 | 109.5 | D182 L183 D187 | D182-N185 CarbonylContact O-C 3.59Å; D182-N185 VanDerWaalsContact O-C 3.26Å; D182-N185 PolarHBondContact O-N 3.14Å; L183-N185 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 3.32Å; N185-D187 PolarHBondContact O-N 3.2Å |
| 186 | P | 83.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 54 Ų | 54 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | trans | -65.3 | 131.9 | -175.8 | 31.8 | -39.8 | 0 | 0 | 0 | 110.7 | F140 P188 I191 T193 | F140-P186 HydrophobicContact CE1-CB 3.84Å; F140-P186 HydrophobicContact CE1-CG 3.55Å; F140-P186 HydrophobicContact CZ-CB 3.92Å; F140-P186 HydrophobicContact CZ-CG 3.51Å; P186-P188 WeakPolarHBondContact O-CD 3.43Å; P186-I191 HydrophobicContact CB-CG2 3.78Å; P186-T193 HydrophobicContact CB-CG2 4.27Å; P186-T193 HydrophobicContact CG-CG2 4.13Å | ||
| 187 | D | 86.8 | Confident | 86.6 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | trans | -81.1 | 113 | 172.4 | -174.1 | -19.5 | 0 | 0 | 0 | 110 | N185 T189 Y190 I191 | N185-D187 PolarHBondContact O-N 3.2Å; D187-T189 PolarHBondContact O-N 3.11Å; D187-T189 WeakPolarHBondContact OD1-CB 3.08Å; D187-T189 PolarHBondContact OD1-N 2.89Å; D187-T189 PolarHBondContact OD1-OG1 3.29Å; D187-Y190 HydrophobicContact CB-CD2 3.9Å; D187-Y190 HydrophobicContact CB-CE2 4.37Å; D187-Y190 PolarHBondContact O-N 3.36Å; D187-Y190 WeakPolarHBondContact OD2-CE2 3.34Å; D187-I191 WeakPolarHBondContact O-CG2 3.2Å; D187-I191 PolarHBondContact O-N 3.3Å | ||
| 188 | P | 87.8 | Confident | 86.4 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 57% | 0.571 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -10.7 | -178.9 | 28.8 | -36.4 | 0 | 0 | 0 | 113.6 | P186 Y190 T193 | P186-P188 WeakPolarHBondContact O-CD 3.43Å; P188-Y190 VanDerWaalsContact C-N 3.31Å; P188-T193 HydrophobicContact CB-CG2 4.11Å |
| 189 | T | 90.4 | Very high | 86.3 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -32.8 | 173 | -50.1 | 0 | 0 | 0 | 0 | 112.1 | D187 | D187-T189 PolarHBondContact O-N 3.11Å; D187-T189 WeakPolarHBondContact OD1-CB 3.08Å; D187-T189 PolarHBondContact OD1-N 2.89Å; D187-T189 PolarHBondContact OD1-OG1 3.29Å |
| 190 | Y | 91 | Very high | 86.1 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -26.5 | -172 | -53 | -58.5 | 0 | 0 | 0 | 113.9 | C165 V166 V173 N174 A177 D187 P188 | C165-Y190 WeakPolarHBondContact CA-O 3.47Å; V166-Y190 PolarHBondContact N-O 3.44Å; V173-Y190 HydrophobicContact CB-CD1 4.34Å; V173-Y190 HydrophobicContact CG1-CD1 3.79Å; V173-Y190 HydrophobicContact CG1-CE1 3.83Å; N174-Y190 HydrophobicContact CB-CD1 3.66Å; N174-Y190 HydrophobicContact CB-CE1 3.82Å; A177-Y190 HydrophobicContact CB-CD2 4.19Å; A177-Y190 HydrophobicContact CB-CE2 4.49Å; A177-Y190 HydrophobicContact CB-CG 4.23Å; D187-Y190 HydrophobicContact CB-CD2 3.9Å; D187-Y190 HydrophobicContact CB-CE2 4.37Å; D187-Y190 PolarHBondContact O-N 3.36Å; D187-Y190 WeakPolarHBondContact OD2-CE2 3.34Å; P188-Y190 VanDerWaalsContact C-N 3.31Å |
| 191 | I | 91.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 141.1 | -176.5 | -174.9 | 169.4 | 0 | 0 | 0 | 111.8 | V160 C164 T181 P186 D187 T193 | V160-I191 HydrophobicContact CG1-CD1 4.09Å; V160-I191 HydrophobicContact CG2-CD1 4.05Å; C164-I191 HydrophobicContact CB-CG1 4.47Å; T181-I191 HydrophobicContact CG2-CD1 4.4Å; T181-I191 HydrophobicContact CG2-CG2 4.47Å; P186-I191 HydrophobicContact CB-CG2 3.78Å; D187-I191 WeakPolarHBondContact O-CG2 3.2Å; D187-I191 PolarHBondContact O-N 3.3Å; I191-T193 PolarHBondContact O-N 2.99Å |
| 192 | Y | 90.6 | Very high | 86.7 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | trans | -70.2 | 114.9 | 170.2 | -63 | -51.3 | 0 | 0 | 0 | 110.5 | R127 C129 C164 C165 V166 R167 | R127-Y192 VanDerWaalsContact C-CG 3.41Å; R127-Y192 HydrophobicContact CB-CD1 3.73Å; R127-Y192 HydrophobicContact CB-CE1 3.57Å; R127-Y192 HydrophobicContact CB-CE2 4.39Å; R127-Y192 HydrophobicContact CB-CG 4.23Å; R127-Y192 HydrophobicContact CG-CD1 4.45Å; R127-Y192 HydrophobicContact CG-CE1 3.79Å; R127-Y192 HydrophobicContact CG-CE2 4.49Å; C129-Y192 WeakPolarHBondContact CB-O 3.46Å; C164-Y192 VanDerWaalsContact O-CD2 3.3Å; C164-Y192 WeakPolarHBondContact O-CD2 2.97Å; C164-Y192 PolarHBondContact O-N 2.91Å; C165-Y192 WeakPolarHBondContact O-CE2 3.39Å; V166-Y192 HydrophobicContact CB-CE1 4.27Å; V166-Y192 HydrophobicContact CG1-CE1 4.37Å; V166-Y192 HydrophobicContact CG2-CD1 3.87Å; V166-Y192 HydrophobicContact CG2-CE1 3.78Å; R167-Y192 PolarHBondContact N-OH 3.42Å | ||
| 193 | T | 87.8 | Confident | 87.3 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | trans | -86.1 | -9.6 | -174.8 | 54 | 0 | 0 | 0 | 0 | 114.5 | N139 P186 P188 I191 | N139-T193 PolarHBondContact ND2-O 2.6Å; P186-T193 HydrophobicContact CB-CG2 4.27Å; P186-T193 HydrophobicContact CG-CG2 4.13Å; P188-T193 HydrophobicContact CB-CG2 4.11Å; I191-T193 PolarHBondContact O-N 2.99Å | ||
| 194 | Q | 88.6 | Confident | 87.8 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -91.4 | 140.3 | -172.9 | -60.9 | -78 | -40.1 | 0 | 0 | 109.9 | C128 C129 R199 | C128-Q194 CarbonylContact C-O 3.55Å; C128-Q194 WeakPolarHBondContact CA-O 3.39Å; C128-Q194 WeakPolarHBondContact CB-O 3.46Å; C129-Q194 PolarHBondContact N-O 2.92Å; Q194-R199 VanDerWaalsContact CG-NH2 3.35Å |
| 195 | G | 88.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | -74.1 | 157.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C128 D132 N139 | C128-G195 WeakPolarHBondContact CB-O 3.47Å; D132-G195 WeakPolarHBondContact OD1-CA 3.25Å; D132-G195 PolarHBondContact OD1-N 2.99Å; N139-G195 PolarHBondContact ND2-N 3.3Å | ||
| 196 | C | 90.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.7 | -27.9 | -173.2 | -68 | 0 | 0 | 0 | 0 | 114.1 | L122 C128 G130 F200 | L122-C196 HydrophobicContact CD2-CB 3.85Å; L122-C196 HydrophobicContact CG-CB 4.22Å; C128-C196 VanDerWaalsContact C-SG 3.5Å; C128-C196 HydrophobicContact CB-CB 3.94Å; C128-C196 WeakPolarHBondContact CB-SG 3.26Å; C128-C196 WeakPolarHBondContact SG-CA 3.05Å; C128-C196 WeakPolarHBondContact SG-CB 3.49Å; C128-C196 CovalentContact SG-SG 2.04Å; C128-C196 PolarHBondContact SG-SG 3.21Å; G130-C196 VanDerWaalsContact O-CB 3.26Å; G130-C196 WeakPolarHBondContact O-CB 3.45Å; G130-C196 PolarHBondContact O-N 2.97Å; G130-C196 VanDerWaalsContact O-N 3.15Å; G130-C196 PolarHBondContact O-SG 3.45Å; C196-F200 WeakPolarHBondContact O-CB 3.48Å; C196-F200 PolarHBondContact O-N 2.89Å |
| 197 | Y | 88.5 | Confident | 89.1 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -56.6 | -166.4 | 164.1 | -107.9 | 0 | 0 | 0 | 112.7 | L95 D96 I99 D132 R199 F200 E201 | L95-Y197 HydrophobicContact CB-CD2 4.46Å; L95-Y197 HydrophobicContact CB-CE2 3.73Å; L95-Y197 HydrophobicContact CD2-CD2 4.25Å; L95-Y197 HydrophobicContact CD2-CE2 3.91Å; L95-Y197 HydrophobicContact CG-CD2 3.99Å; L95-Y197 HydrophobicContact CG-CE2 3.68Å; D96-Y197 VanDerWaalsContact CA-CD2 3.46Å; D96-Y197 HydrophobicContact CB-CD1 4.08Å; D96-Y197 HydrophobicContact CB-CD2 3.76Å; D96-Y197 HydrophobicContact CB-CE1 3.98Å; D96-Y197 HydrophobicContact CB-CE2 3.67Å; D96-Y197 HydrophobicContact CB-CG 3.96Å; I99-Y197 HydrophobicContact CD1-CD2 4.19Å; D132-Y197 WeakPolarHBondContact OD2-CB 3.01Å; Y197-R199 PolarHBondContact O-N 3.36Å; Y197-F200 PolarHBondContact O-N 2.61Å; Y197-E201 HydrophobicContact CE2-CB 4.32Å; Y197-E201 HydrophobicContact CE2-CG 4.45Å; Y197-E201 VanDerWaalsContact O-CB 3.23Å; Y197-E201 WeakPolarHBondContact O-CB 3.47Å; Y197-E201 PolarHBondContact O-N 2.98Å |
| 198 | R | 87.2 | Confident | 89.3 | Confident | 135 Ų | 135 | 46.8 Ų | 46.8 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.7 | -38.5 | -172.9 | -175.6 | 58.3 | 168.7 | -176.5 | -2.9 | 111.4 | D132 F200 E201 N202 | D132-R198 WeakPolarHBondContact OD2-CA 3.32Å; D132-R198 WeakPolarHBondContact OD2-CB 3Å; D132-R198 PolarHBondContact OD2-N 3.02Å; R198-F200 VanDerWaalsContact C-N 3.33Å; R198-E201 WeakPolarHBondContact CD-OE2 3.16Å; R198-E201 IonicContact CZ-OE2 3.37Å; R198-E201 IonicContact NH1-OE1 3.76Å; R198-E201 IonicContact NH1-OE2 3.81Å; R198-E201 PolarHBondContact NH1-OE2 3.27Å; R198-N202 VanDerWaalsContact O-CB 3.25Å; R198-N202 WeakPolarHBondContact O-CB 3.05Å; R198-N202 PolarHBondContact O-N 3.13Å; R198-N202 PolarHBondContact O-ND2 2.89Å |
| 199 | R | 88.8 | Confident | 89.4 | Confident | 99 Ų | 99 | 47.3 Ų | 47.3 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 173.9 | -73.3 | -172 | 170.8 | -172.9 | 0.2 | 110.8 | F126 R127 Q194 Y197 H203 | F126-R199 HydrophobicContact CB-CB 4.49Å; F126-R199 HydrophobicContact CD1-CB 4.29Å; F126-R199 PolarHBondContact O-NH1 3.43Å; R127-R199 PolarHBondContact O-NH1 3Å; Q194-R199 VanDerWaalsContact CG-NH2 3.35Å; Y197-R199 PolarHBondContact O-N 3.36Å; R199-H203 WeakPolarHBondContact O-CB 3.04Å; R199-H203 PolarHBondContact O-N 3.15Å; R199-H203 VanDerWaalsContact O-N 3.11Å |
| 200 | F | 89.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.4 | -47.8 | -179.3 | -176.5 | -130 | 0 | 0 | 0 | 112.5 | F20 L23 F24 L95 I99 L122 F126 C196 Y197 R198 N202 H203 I204 | F20-F200 HydrophobicContact CB-CE2 4.42Å; F20-F200 HydrophobicContact CB-CZ 3.95Å; F20-F200 HydrophobicContact CD1-CE2 4.32Å; F20-F200 HydrophobicContact CD1-CZ 4.31Å; F20-F200 HydrophobicContact CD2-CE2 4.18Å; F20-F200 HydrophobicContact CG-CE2 4.04Å; F20-F200 HydrophobicContact CG-CZ 4.02Å; L23-F200 HydrophobicContact CD1-CE1 4.44Å; F24-F200 AromaticContact CE1-CE1 3.93Å; F24-F200 HydrophobicContact CE1-CE1 3.93Å; F24-F200 HydrophobicContact CE1-CZ 4.49Å; F24-F200 AromaticContact CE2-CE1 3.69Å; F24-F200 HydrophobicContact CE2-CE1 3.69Å; F24-F200 AromaticContact CE2-CZ 3.51Å; F24-F200 HydrophobicContact CE2-CZ 3.51Å; F24-F200 HydrophobicContact CZ-CD1 4.18Å; F24-F200 AromaticContact CZ-CE1 3.11Å; F24-F200 HydrophobicContact CZ-CE1 3.11Å; F24-F200 AromaticContact CZ-CZ 3.32Å; F24-F200 HydrophobicContact CZ-CZ 3.32Å; L95-F200 HydrophobicContact CD2-CD1 4.35Å; I99-F200 HydrophobicContact CD1-CD1 3.84Å; I99-F200 HydrophobicContact CD1-CE1 4.33Å; L122-F200 HydrophobicContact CD1-CB 3.8Å; L122-F200 HydrophobicContact CD1-CD1 3.91Å; L122-F200 HydrophobicContact CD1-CD2 3.2Å; L122-F200 HydrophobicContact CD1-CE1 4.21Å; L122-F200 HydrophobicContact CD1-CE2 3.6Å; L122-F200 HydrophobicContact CD1-CG 3.37Å; L122-F200 HydrophobicContact CD1-CZ 4.07Å; F126-F200 HydrophobicContact CD2-CD2 4.36Å; F126-F200 AromaticContact CE2-CD2 3.68Å; F126-F200 HydrophobicContact CE2-CD2 3.68Å; F126-F200 HydrophobicContact CE2-CE2 4.24Å; F126-F200 AromaticContact CZ-CD2 3.87Å; F126-F200 HydrophobicContact CZ-CD2 3.87Å; C196-F200 WeakPolarHBondContact O-CB 3.48Å; C196-F200 PolarHBondContact O-N 2.89Å; Y197-F200 PolarHBondContact O-N 2.61Å; R198-F200 VanDerWaalsContact C-N 3.33Å; F200-N202 PolarHBondContact O-N 2.75Å; F200-H203 PolarHBondContact O-N 2.81Å; F200-I204 HydrophobicContact CD2-CD1 4.4Å; F200-I204 HydrophobicContact CD2-CG1 3.78Å; F200-I204 HydrophobicContact CE1-CG1 4.44Å; F200-I204 HydrophobicContact CE2-CD1 3.74Å; F200-I204 HydrophobicContact CE2-CG1 3.48Å; F200-I204 VanDerWaalsContact CE2-CG1 3.48Å; F200-I204 HydrophobicContact CG-CG1 4.38Å; F200-I204 HydrophobicContact CZ-CD1 4.19Å; F200-I204 HydrophobicContact CZ-CG1 3.85Å; F200-I204 WeakPolarHBondContact O-CB 3.22Å; F200-I204 WeakPolarHBondContact O-CG1 3.48Å; F200-I204 PolarHBondContact O-N 3.24Å |
| 201 | E | 87.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54 | -53.3 | 176.4 | -170.3 | -151.7 | -174.2 | 0 | 0 | 110.2 | L95 Y197 R198 H203 I204 M205 | L95-E201 HydrophobicContact CD2-CB 4.14Å; L95-E201 HydrophobicContact CD2-CG 4.25Å; Y197-E201 HydrophobicContact CE2-CB 4.32Å; Y197-E201 HydrophobicContact CE2-CG 4.45Å; Y197-E201 VanDerWaalsContact O-CB 3.23Å; Y197-E201 WeakPolarHBondContact O-CB 3.47Å; Y197-E201 PolarHBondContact O-N 2.98Å; R198-E201 WeakPolarHBondContact CD-OE2 3.16Å; R198-E201 IonicContact CZ-OE2 3.37Å; R198-E201 IonicContact NH1-OE1 3.76Å; R198-E201 IonicContact NH1-OE2 3.81Å; R198-E201 PolarHBondContact NH1-OE2 3.27Å; E201-H203 VanDerWaalsContact C-N 3.32Å; E201-H203 PolarHBondContact O-N 2.76Å; E201-I204 PolarHBondContact O-N 3.37Å; E201-M205 HydrophobicContact CG-CE 3.75Å; E201-M205 HydrophobicContact CG-SD 4.4Å; E201-M205 WeakPolarHBondContact O-CB 3.44Å; E201-M205 VanDerWaalsContact O-CG 3.28Å; E201-M205 WeakPolarHBondContact O-CG 3.3Å; E201-M205 PolarHBondContact O-N 3.26Å |
| 202 | N | 88.6 | Confident | 89.5 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 32% | 0.316 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 179.4 | -73.4 | -27.7 | 0 | 0 | 0 | 112.2 | R198 F200 M205 Q206 | R198-N202 VanDerWaalsContact O-CB 3.25Å; R198-N202 WeakPolarHBondContact O-CB 3.05Å; R198-N202 PolarHBondContact O-N 3.13Å; R198-N202 PolarHBondContact O-ND2 2.89Å; F200-N202 PolarHBondContact O-N 2.75Å; N202-M205 WeakPolarHBondContact OD1-CE 3.28Å; N202-Q206 WeakPolarHBondContact O-CB 3Å; N202-Q206 VanDerWaalsContact O-CG 3.29Å; N202-Q206 WeakPolarHBondContact O-CG 3.12Å; N202-Q206 PolarHBondContact O-N 3.14Å |
| 203 | H | 90.5 | Very high | 89.7 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 27% | 0.269 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.1 | -46.1 | 179.4 | -178.1 | 81.9 | 0 | 0 | 0 | 112.4 | K17 F126 R199 F200 E201 M205 Q206 V207 | K17-H203 WeakPolarHBondContact CE-NE2 3.11Å; K17-H203 PolarHBondContact NZ-CD2 2.85Å; K17-H203 PolarHBondContact NZ-NE2 3.12Å; F126-H203 HydrophobicContact CE1-CB 3.5Å; F126-H203 VanDerWaalsContact CE1-CB 3.5Å; F126-H203 AromaticContact CE1-CD2 3.81Å; F126-H203 AromaticContact CE1-CG 3.52Å; F126-H203 HydrophobicContact CZ-CB 3.94Å; F126-H203 AromaticContact CZ-CD2 3.48Å; F126-H203 VanDerWaalsContact CZ-CD2 3.48Å; F126-H203 WeakPolarHBondContact CZ-CD2 3.36Å; F126-H203 AromaticContact CZ-CG 3.71Å; R199-H203 WeakPolarHBondContact O-CB 3.04Å; R199-H203 PolarHBondContact O-N 3.15Å; R199-H203 VanDerWaalsContact O-N 3.11Å; F200-H203 PolarHBondContact O-N 2.81Å; E201-H203 VanDerWaalsContact C-N 3.32Å; E201-H203 PolarHBondContact O-N 2.76Å; H203-M205 VanDerWaalsContact C-N 3.34Å; H203-M205 PolarHBondContact O-N 3.17Å; H203-Q206 PolarHBondContact O-N 3.31Å; H203-V207 WeakPolarHBondContact O-CG2 3.2Å; H203-V207 PolarHBondContact O-N 3.41Å |
| 204 | I | 88.3 | Confident | 90 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 178.5 | -66.6 | -66.3 | 0 | 0 | 0 | 110.7 | K17 F24 F29 F86 L90 F200 E201 Q206 V207 A208 | K17-I204 HydrophobicContact CD-CD1 4.31Å; F24-I204 HydrophobicContact CZ-CG1 4.49Å; F29-I204 HydrophobicContact CD2-CG2 4.25Å; F29-I204 HydrophobicContact CE1-CD1 4.01Å; F29-I204 HydrophobicContact CE1-CG2 4.48Å; F29-I204 HydrophobicContact CE2-CG2 3.94Å; F29-I204 HydrophobicContact CZ-CD1 4.15Å; F29-I204 HydrophobicContact CZ-CG2 4.06Å; F86-I204 HydrophobicContact CE1-CG2 3.83Å; F86-I204 HydrophobicContact CZ-CG2 4.47Å; L90-I204 HydrophobicContact CD1-CG2 3.84Å; F200-I204 HydrophobicContact CD2-CD1 4.4Å; F200-I204 HydrophobicContact CD2-CG1 3.78Å; F200-I204 HydrophobicContact CE1-CG1 4.44Å; F200-I204 HydrophobicContact CE2-CD1 3.74Å; F200-I204 HydrophobicContact CE2-CG1 3.48Å; F200-I204 VanDerWaalsContact CE2-CG1 3.48Å; F200-I204 HydrophobicContact CG-CG1 4.38Å; F200-I204 HydrophobicContact CZ-CD1 4.19Å; F200-I204 HydrophobicContact CZ-CG1 3.85Å; F200-I204 WeakPolarHBondContact O-CB 3.22Å; F200-I204 WeakPolarHBondContact O-CG1 3.48Å; F200-I204 PolarHBondContact O-N 3.24Å; E201-I204 PolarHBondContact O-N 3.37Å; I204-Q206 PolarHBondContact O-N 2.62Å; I204-V207 PolarHBondContact O-N 3.06Å; I204-A208 VanDerWaalsContact O-CB 3.28Å; I204-A208 WeakPolarHBondContact O-CB 3.22Å; I204-A208 PolarHBondContact O-N 2.99Å |
| 205 | M | 88.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 173.4 | -75.8 | -170.3 | -66.8 | 0 | 0 | 111.8 | Q87 L90 K91 E201 N202 H203 A208 F209 | Q87-M205 PolarHBondContact NE2-O 2.94Å; L90-M205 HydrophobicContact CD1-CG 4.23Å; K91-M205 VanDerWaalsContact CE-SD 3.52Å; E201-M205 HydrophobicContact CG-CE 3.75Å; E201-M205 HydrophobicContact CG-SD 4.4Å; E201-M205 WeakPolarHBondContact O-CB 3.44Å; E201-M205 VanDerWaalsContact O-CG 3.28Å; E201-M205 WeakPolarHBondContact O-CG 3.3Å; E201-M205 PolarHBondContact O-N 3.26Å; N202-M205 WeakPolarHBondContact OD1-CE 3.28Å; H203-M205 VanDerWaalsContact C-N 3.34Å; H203-M205 PolarHBondContact O-N 3.17Å; M205-A208 PolarHBondContact O-N 3.26Å; M205-F209 WeakPolarHBondContact O-CB 3.35Å; M205-F209 PolarHBondContact O-N 3.45Å |
| 206 | Q | 90.7 | Very high | 90.5 | Very high | 128 Ų | 128 | 43.4 Ų | 43.4 | 60% | 0.598 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -63.1 | -45.4 | 176.6 | -76 | 175.6 | -3.1 | 0 | 0 | 112.1 | N202 H203 I204 F209 V210 | N202-Q206 WeakPolarHBondContact O-CB 3Å; N202-Q206 VanDerWaalsContact O-CG 3.29Å; N202-Q206 WeakPolarHBondContact O-CG 3.12Å; N202-Q206 PolarHBondContact O-N 3.14Å; H203-Q206 PolarHBondContact O-N 3.31Å; I204-Q206 PolarHBondContact O-N 2.62Å; Q206-F209 WeakPolarHBondContact O-CB 2.96Å; Q206-F209 PolarHBondContact O-N 3.18Å; Q206-V210 WeakPolarHBondContact O-CG2 3.29Å; Q206-V210 PolarHBondContact O-N 3.18Å |
| 207 | V | 90.6 | Very high | 90.8 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V13 F29 H203 I204 F209 V210 E211 | V13-V207 HydrophobicContact CG1-CG1 4.4Å; V13-V207 HydrophobicContact CG2-CG1 3.59Å; F29-V207 HydrophobicContact CZ-CG1 4.16Å; H203-V207 WeakPolarHBondContact O-CG2 3.2Å; H203-V207 PolarHBondContact O-N 3.41Å; I204-V207 PolarHBondContact O-N 3.06Å; V207-F209 VanDerWaalsContact C-N 3.28Å; V207-F209 PolarHBondContact O-N 3.42Å; V207-V210 PolarHBondContact O-N 3.05Å; V207-E211 HydrophobicContact CG1-CG 4.46Å; V207-E211 WeakPolarHBondContact O-CB 3.23Å; V207-E211 WeakPolarHBondContact O-CG 3.47Å; V207-E211 PolarHBondContact O-N 2.83Å |
| 208 | A | 89.4 | Confident | 91.1 | Very high | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F29 F86 Q87 I204 M205 G212 | F29-A208 HydrophobicContact CE2-CB 4.12Å; F86-A208 HydrophobicContact CD1-CB 4.22Å; Q87-A208 HydrophobicContact CG-CB 4.16Å; I204-A208 VanDerWaalsContact O-CB 3.28Å; I204-A208 WeakPolarHBondContact O-CB 3.22Å; I204-A208 PolarHBondContact O-N 2.99Å; M205-A208 PolarHBondContact O-N 3.26Å; A208-G212 PolarHBondContact O-N 3.15Å |
| 209 | F | 91.7 | Very high | 91.5 | Very high | 98 Ų | 98 | 39.7 Ų | 39.7 | 43% | 0.43 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.9 | -50.7 | 176.7 | -174.9 | -107.1 | 0 | 0 | 0 | 111.4 | F84 Q87 M205 Q206 V207 G212 I213 | F84-F209 HydrophobicContact CD1-CD2 4.29Å; F84-F209 AromaticContact CE1-CD2 3.62Å; F84-F209 HydrophobicContact CE1-CD2 3.62Å; F84-F209 AromaticContact CE1-CE2 3.78Å; F84-F209 HydrophobicContact CE1-CE2 3.78Å; Q87-F209 VanDerWaalsContact NE2-N 3.16Å; M205-F209 WeakPolarHBondContact O-CB 3.35Å; M205-F209 PolarHBondContact O-N 3.45Å; Q206-F209 WeakPolarHBondContact O-CB 2.96Å; Q206-F209 PolarHBondContact O-N 3.18Å; V207-F209 VanDerWaalsContact C-N 3.28Å; V207-F209 PolarHBondContact O-N 3.42Å; F209-G212 PolarHBondContact O-N 3.29Å; F209-I213 HydrophobicContact CD1-CD1 3.86Å; F209-I213 HydrophobicContact CE1-CD1 3.28Å; F209-I213 HydrophobicContact CE1-CG1 4.4Å; F209-I213 HydrophobicContact CE2-CD1 4.11Å; F209-I213 HydrophobicContact CG-CD1 4.49Å; F209-I213 HydrophobicContact CZ-CD1 3.43Å; F209-I213 VanDerWaalsContact CZ-CD1 3.43Å; F209-I213 HydrophobicContact CZ-CG1 4.41Å; F209-I213 WeakPolarHBondContact O-CG1 3Å; F209-I213 PolarHBondContact O-N 3.15Å |
| 210 | V | 92.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 37.4 Ų | 37.4 | 44% | 0.436 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -47.2 | -178.7 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | Q206 V207 G212 I213 L214 | Q206-V210 WeakPolarHBondContact O-CG2 3.29Å; Q206-V210 PolarHBondContact O-N 3.18Å; V207-V210 PolarHBondContact O-N 3.05Å; V210-G212 PolarHBondContact O-N 2.04Å; V210-I213 PolarHBondContact O-N 3.36Å; V210-L214 HydrophobicContact CG1-CD1 4.05Å; V210-L214 HydrophobicContact CG1-CG 4.44Å; V210-L214 WeakPolarHBondContact O-CB 3.12Å; V210-L214 WeakPolarHBondContact O-CG 2.92Å; V210-L214 PolarHBondContact O-N 3.31Å |
| 211 | E | 89 | Confident | 92 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 175.1 | -76.9 | -63.5 | 149.2 | 0 | 0 | 112.2 | C9 G10 V13 L36 V207 I213 L214 G215 | C9-E211 WeakPolarHBondContact CB-OE1 3.22Å; C9-E211 PolarHBondContact SG-OE1 2.04Å; G10-E211 PolarHBondContact N-OE1 3.42Å; V13-E211 HydrophobicContact CG2-CG 4.12Å; L36-E211 HydrophobicContact CD1-CB 4.15Å; V207-E211 HydrophobicContact CG1-CG 4.46Å; V207-E211 WeakPolarHBondContact O-CB 3.23Å; V207-E211 WeakPolarHBondContact O-CG 3.47Å; V207-E211 PolarHBondContact O-N 2.83Å; E211-I213 PolarHBondContact O-N 2.86Å; E211-L214 PolarHBondContact O-N 3.23Å; E211-G215 PolarHBondContact O-N 3.05Å |
| 212 | G | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A208 F209 V210 G215 M216 | A208-G212 PolarHBondContact O-N 3.15Å; F209-G212 PolarHBondContact O-N 3.29Å; V210-G212 PolarHBondContact O-N 2.04Å; G212-G215 PolarHBondContact O-N 2.8Å; G212-M216 WeakPolarHBondContact O-CG 3.45Å; G212-M216 PolarHBondContact O-N 3.21Å; G212-M216 VanDerWaalsContact O-N 3.07Å |
| 213 | I | 94.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 30% | 0.303 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.4 | -47 | 174.7 | -69.1 | 180 | 0 | 0 | 0 | 111.1 | F84 F209 V210 E211 G215 M216 L217 | F84-I213 HydrophobicContact CZ-CG1 3.94Å; F209-I213 HydrophobicContact CD1-CD1 3.86Å; F209-I213 HydrophobicContact CE1-CD1 3.28Å; F209-I213 HydrophobicContact CE1-CG1 4.4Å; F209-I213 HydrophobicContact CE2-CD1 4.11Å; F209-I213 HydrophobicContact CG-CD1 4.49Å; F209-I213 HydrophobicContact CZ-CD1 3.43Å; F209-I213 VanDerWaalsContact CZ-CD1 3.43Å; F209-I213 HydrophobicContact CZ-CG1 4.41Å; F209-I213 WeakPolarHBondContact O-CG1 3Å; F209-I213 PolarHBondContact O-N 3.15Å; V210-I213 PolarHBondContact O-N 3.36Å; E211-I213 PolarHBondContact O-N 2.86Å; I213-G215 VanDerWaalsContact C-N 3.28Å; I213-G215 PolarHBondContact O-N 3.06Å; I213-M216 HydrophobicContact CG1-CE 4.24Å; I213-M216 PolarHBondContact O-N 2.95Å; I213-L217 HydrophobicContact CG2-CD1 3.82Å; I213-L217 HydrophobicContact CG2-CG 4.18Å; I213-L217 WeakPolarHBondContact O-CG 3.46Å; I213-L217 PolarHBondContact O-N 3.15Å |
| 214 | L | 94.1 | Very high | 92.7 | Very high | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 179 | -73.7 | 176.5 | 0 | 0 | 0 | 111.6 | C9 V210 E211 L217 A218 | C9-L214 HydrophobicContact CB-CD1 3.79Å; V210-L214 HydrophobicContact CG1-CD1 4.05Å; V210-L214 HydrophobicContact CG1-CG 4.44Å; V210-L214 WeakPolarHBondContact O-CB 3.12Å; V210-L214 WeakPolarHBondContact O-CG 2.92Å; V210-L214 PolarHBondContact O-N 3.31Å; E211-L214 PolarHBondContact O-N 3.23Å; L214-L217 PolarHBondContact O-N 3.22Å; L214-A218 VanDerWaalsContact O-CB 3.23Å; L214-A218 WeakPolarHBondContact O-CB 3.35Å; L214-A218 PolarHBondContact O-N 3.3Å |
| 215 | G | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | E211 G212 I213 A218 S219 | E211-G215 PolarHBondContact O-N 3.05Å; G212-G215 PolarHBondContact O-N 2.8Å; I213-G215 VanDerWaalsContact C-N 3.28Å; I213-G215 PolarHBondContact O-N 3.06Å; G215-A218 PolarHBondContact O-N 3.37Å; G215-S219 WeakPolarHBondContact O-CB 3.37Å; G215-S219 PolarHBondContact O-N 2.92Å |
| 216 | M | 94.3 | Very high | 93.2 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 31% | 0.31 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 175.7 | -69.3 | -171.8 | -59.4 | 0 | 0 | 112.4 | L77 F84 G212 I213 S219 A220 | L77-M216 HydrophobicContact CD1-CG 4.31Å; F84-M216 HydrophobicContact CE2-CE 3.32Å; F84-M216 HydrophobicContact CE2-SD 3.84Å; F84-M216 HydrophobicContact CZ-CE 3.41Å; F84-M216 VanDerWaalsContact CZ-CE 3.41Å; F84-M216 HydrophobicContact CZ-SD 4.48Å; G212-M216 WeakPolarHBondContact O-CG 3.45Å; G212-M216 PolarHBondContact O-N 3.21Å; G212-M216 VanDerWaalsContact O-N 3.07Å; I213-M216 HydrophobicContact CG1-CE 4.24Å; I213-M216 PolarHBondContact O-N 2.95Å; M216-S219 WeakPolarHBondContact O-CB 3.43Å; M216-S219 PolarHBondContact O-N 3.26Å; M216-A220 PolarHBondContact O-N 2.8Å |
| 217 | L | 95.9 | Very high | 93.4 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 48% | 0.482 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 175.4 | -68.6 | 176.3 | 0 | 0 | 0 | 111.7 | V2 I213 L214 A220 S221 | V2-L217 HydrophobicContact CG1-CB 3.87Å; I213-L217 HydrophobicContact CG2-CD1 3.82Å; I213-L217 HydrophobicContact CG2-CG 4.18Å; I213-L217 WeakPolarHBondContact O-CG 3.46Å; I213-L217 PolarHBondContact O-N 3.15Å; L214-L217 PolarHBondContact O-N 3.22Å; L217-A220 PolarHBondContact O-N 3.37Å; L217-S221 WeakPolarHBondContact O-CB 3.36Å; L217-S221 PolarHBondContact O-N 3.13Å |
| 218 | A | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V2 L76 L214 G215 S221 L222 | V2-A218 HydrophobicContact CG1-CB 4.3Å; L76-A218 HydrophobicContact CD1-CB 4.1Å; L214-A218 VanDerWaalsContact O-CB 3.23Å; L214-A218 WeakPolarHBondContact O-CB 3.35Å; L214-A218 PolarHBondContact O-N 3.3Å; G215-A218 PolarHBondContact O-N 3.37Å; A218-S221 PolarHBondContact O-N 2.91Å; A218-S221 PolarHBondContact O-OG 2.93Å; A218-L222 PolarHBondContact O-N 3.33Å |
| 219 | S | 95.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.8 | -52.9 | 172.6 | 174.9 | 0 | 0 | 0 | 0 | 112 | S73 G215 M216 S221 L222 | S73-S219 WeakPolarHBondContact O-CB 3.05Å; S73-S219 PolarHBondContact O-OG 2.95Å; S73-S219 PolarHBondContact OG-O 3.45Å; S73-S219 PolarHBondContact OG-OG 3.11Å; G215-S219 WeakPolarHBondContact O-CB 3.37Å; G215-S219 PolarHBondContact O-N 2.92Å; M216-S219 WeakPolarHBondContact O-CB 3.43Å; M216-S219 PolarHBondContact O-N 3.26Å; S219-S221 PolarHBondContact O-N 2.87Å; S219-L222 PolarHBondContact O-N 3.27Å; S219-L222 VanDerWaalsContact O-N 3.1Å |
| 220 | A | 95.6 | Very high | 93.6 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -32 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M216 L217 L222 I223 | M216-A220 PolarHBondContact O-N 2.8Å; L217-A220 PolarHBondContact O-N 3.37Å; A220-L222 VanDerWaalsContact C-N 3.28Å; A220-L222 PolarHBondContact O-N 2.81Å; A220-I223 PolarHBondContact O-N 3.23Å |
| 221 | S | 94.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -24 | 178.3 | 80.4 | 0 | 0 | 0 | 0 | 113.8 | N3 L217 A218 S219 P225 | N3-S221 PolarHBondContact ND2-OG 3.38Å; N3-S221 VanDerWaalsContact ND2-OG 3.08Å; L217-S221 WeakPolarHBondContact O-CB 3.36Å; L217-S221 PolarHBondContact O-N 3.13Å; A218-S221 PolarHBondContact O-N 2.91Å; A218-S221 PolarHBondContact O-OG 2.93Å; S219-S221 PolarHBondContact O-N 2.87Å; S221-P225 WeakPolarHBondContact O-CD 3.36Å |
| 222 | L | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -82.6 | -24.5 | 177.3 | -68.4 | 175.9 | 0 | 0 | 0 | 113.2 | N47 C69 L72 L76 A218 S219 A220 P225 A226 | N47-L222 WeakPolarHBondContact ND2-CD2 3.39Å; C69-L222 HydrophobicContact CB-CB 4.42Å; L72-L222 HydrophobicContact CB-CD1 3.71Å; L76-L222 HydrophobicContact CD1-CD1 3.66Å; A218-L222 PolarHBondContact O-N 3.33Å; S219-L222 PolarHBondContact O-N 3.27Å; S219-L222 VanDerWaalsContact O-N 3.1Å; A220-L222 VanDerWaalsContact C-N 3.28Å; A220-L222 PolarHBondContact O-N 2.81Å; L222-P225 WeakPolarHBondContact O-CD 3.01Å; L222-P225 WeakPolarHBondContact O-CG 3.32Å; L222-A226 WeakPolarHBondContact O-CB 3.3Å; L222-A226 PolarHBondContact O-N 3.33Å |
| 223 | I | 94.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 35% | 0.349 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | -179.2 | -60.4 | 174.8 | 0 | 0 | 0 | 110.8 | S73 A220 A226 L227 | S73-I223 VanDerWaalsContact OG-CG1 3.26Å; S73-I223 WeakPolarHBondContact OG-CG1 3.41Å; A220-I223 PolarHBondContact O-N 3.23Å; I223-A226 WeakPolarHBondContact O-CB 3Å; I223-A226 PolarHBondContact O-N 3.46Å; I223-L227 HydrophobicContact CG2-CD1 3.87Å; I223-L227 HydrophobicContact CG2-CG 4.17Å; I223-L227 WeakPolarHBondContact O-CG 2.78Å; I223-L227 PolarHBondContact O-N 2.99Å |
| 224 | K | 91.6 | Very high | 93.2 | Very high | 162 Ų | 162 | 53.2 Ų | 53.2 | 70% | 0.704 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -57.7 | -55.7 | -178.8 | -64.1 | 180 | -175.1 | 179.3 | 0 | 113.4 | A226 L227 F228 | K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 2.82Å; K224-L227 PolarHBondContact O-N 2.89Å; K224-F228 WeakPolarHBondContact O-CB 3.49Å; K224-F228 PolarHBondContact O-N 3.38Å |
| 225 | P | 92.6 | Very high | 92.9 | Very high | 33 Ų | 33 | 57.3 Ų | 57.3 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.2 | -31.3 | 177.7 | 26.4 | -34.7 | 0 | 0 | 0 | 112.7 | F65 S221 L222 F228 C229 | F65-P225 HydrophobicContact CE1-CB 4.12Å; F65-P225 HydrophobicContact CZ-CB 4.06Å; S221-P225 WeakPolarHBondContact O-CD 3.36Å; L222-P225 WeakPolarHBondContact O-CD 3.01Å; L222-P225 WeakPolarHBondContact O-CG 3.32Å; P225-F228 PolarHBondContact O-N 3.03Å; P225-C229 WeakPolarHBondContact O-CB 3.18Å; P225-C229 PolarHBondContact O-N 3.34Å; P225-C229 PolarHBondContact O-SG 2.93Å |
| 226 | A | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | S66 C69 L70 L222 I223 K224 A230 | S66-A226 PolarHBondContact OG-O 3.28Å; C69-A226 HydrophobicContact CB-CB 3.65Å; L70-A226 HydrophobicContact CD2-CB 4.2Å; L70-A226 HydrophobicContact CG-CB 4.17Å; L222-A226 WeakPolarHBondContact O-CB 3.3Å; L222-A226 PolarHBondContact O-N 3.33Å; I223-A226 WeakPolarHBondContact O-CB 3Å; I223-A226 PolarHBondContact O-N 3.46Å; K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 2.82Å; A226-A230 WeakPolarHBondContact O-CB 3.38Å; A226-A230 PolarHBondContact O-N 3.43Å |
| 227 | L | 93.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 62.5 Ų | 62.5 | 52% | 0.518 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 176.8 | -68 | 177.9 | 0 | 0 | 0 | 111.3 | I223 K224 A230 L231 | I223-L227 HydrophobicContact CG2-CD1 3.87Å; I223-L227 HydrophobicContact CG2-CG 4.17Å; I223-L227 WeakPolarHBondContact O-CG 2.78Å; I223-L227 PolarHBondContact O-N 2.99Å; K224-L227 PolarHBondContact O-N 2.89Å; L227-A230 PolarHBondContact O-N 3.25Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 2.95Å |
| 228 | F | 93 | Very high | 89.9 | Confident | 116 Ų | 116 | 69.6 Ų | 69.6 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 178 | 179.5 | -105.5 | 0 | 0 | 0 | 112.1 | T54 K224 P225 A230 L231 L232 | T54-F228 HydrophobicContact CG2-CE1 4.46Å; K224-F228 WeakPolarHBondContact O-CB 3.49Å; K224-F228 PolarHBondContact O-N 3.38Å; P225-F228 PolarHBondContact O-N 3.03Å; F228-A230 PolarHBondContact O-N 2.03Å; F228-L231 PolarHBondContact O-N 3.39Å; F228-L232 HydrophobicContact CD1-CD1 3.85Å; F228-L232 HydrophobicContact CD1-CG 4.4Å; F228-L232 HydrophobicContact CE1-CD1 3.24Å; F228-L232 HydrophobicContact CE1-CG 4.04Å; F228-L232 HydrophobicContact CE2-CD1 4.28Å; F228-L232 HydrophobicContact CE2-CD2 4.49Å; F228-L232 HydrophobicContact CE2-CG 4.29Å; F228-L232 HydrophobicContact CZ-CD1 3.5Å; F228-L232 HydrophobicContact CZ-CD2 4.27Å; F228-L232 HydrophobicContact CZ-CG 3.98Å; F228-L232 WeakPolarHBondContact O-CG 3.25Å; F228-L232 PolarHBondContact O-N 3.42Å |
| 229 | C | 91.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.02 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -36.2 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | F65 P225 L231 L232 A233 | F65-C229 HydrophobicContact CD1-CB 3.86Å; F65-C229 VanDerWaalsContact CD1-SG 3.57Å; F65-C229 HydrophobicContact CE1-CB 4.14Å; F65-C229 WeakPolarHBondContact CE1-SG 3.37Å; P225-C229 WeakPolarHBondContact O-CB 3.18Å; P225-C229 PolarHBondContact O-N 3.34Å; P225-C229 PolarHBondContact O-SG 2.93Å; C229-L231 VanDerWaalsContact C-N 3.34Å; C229-L232 PolarHBondContact O-N 3.09Å; C229-A233 VanDerWaalsContact O-CB 3.27Å; C229-A233 WeakPolarHBondContact O-CB 3.32Å; C229-A233 PolarHBondContact O-N 2.98Å |
| 230 | A | 91.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A226 L227 F228 R234 | A226-A230 WeakPolarHBondContact O-CB 3.38Å; A226-A230 PolarHBondContact O-N 3.43Å; L227-A230 PolarHBondContact O-N 3.25Å; F228-A230 PolarHBondContact O-N 2.03Å; A230-R234 WeakPolarHBondContact O-CG 3.44Å; A230-R234 PolarHBondContact O-N 2.89Å; A230-R234 VanDerWaalsContact O-N 3.16Å |
| 231 | L | 92.5 | Very high | 89 | Confident | 110 Ų | 110 | 78.2 Ų | 78.2 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.6 | -45.8 | 175.6 | -69.7 | 172 | 0 | 0 | 0 | 111.6 | L227 F228 C229 A233 R234 L235 | L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 2.95Å; F228-L231 PolarHBondContact O-N 3.39Å; C229-L231 VanDerWaalsContact C-N 3.34Å; L231-A233 PolarHBondContact O-N 2.93Å; L231-R234 PolarHBondContact O-N 3.47Å; L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 3.04Å |
| 232 | L | 90.4 | Very high | 88.7 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 175.7 | -74.6 | -176.3 | 0 | 0 | 0 | 112.5 | T54 F228 C229 R234 L235 T236 | T54-L232 HydrophobicContact CG2-CD1 4.12Å; F228-L232 HydrophobicContact CD1-CD1 3.85Å; F228-L232 HydrophobicContact CD1-CG 4.4Å; F228-L232 HydrophobicContact CE1-CD1 3.24Å; F228-L232 HydrophobicContact CE1-CG 4.04Å; F228-L232 HydrophobicContact CE2-CD1 4.28Å; F228-L232 HydrophobicContact CE2-CD2 4.49Å; F228-L232 HydrophobicContact CE2-CG 4.29Å; F228-L232 HydrophobicContact CZ-CD1 3.5Å; F228-L232 HydrophobicContact CZ-CD2 4.27Å; F228-L232 HydrophobicContact CZ-CG 3.98Å; F228-L232 WeakPolarHBondContact O-CG 3.25Å; F228-L232 PolarHBondContact O-N 3.42Å; C229-L232 PolarHBondContact O-N 3.09Å; L232-R234 VanDerWaalsContact C-N 3.26Å; L232-R234 PolarHBondContact O-N 3.01Å; L232-L235 PolarHBondContact O-N 2.96Å; L232-L235 VanDerWaalsContact O-N 3.17Å; L232-T236 WeakPolarHBondContact O-CG2 3.42Å; L232-T236 PolarHBondContact O-N 3.36Å; L232-T236 PolarHBondContact O-OG1 2.85Å |
| 233 | A | 88.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M62 Y63 C229 L231 T236 Q237 | M62-A233 HydrophobicContact CB-CB 4.14Å; M62-A233 HydrophobicContact SD-CB 4.42Å; Y63-A233 HydrophobicContact CD1-CB 4.31Å; Y63-A233 HydrophobicContact CD2-CB 4.24Å; Y63-A233 HydrophobicContact CE1-CB 3.83Å; Y63-A233 HydrophobicContact CE2-CB 3.76Å; Y63-A233 PolarHBondContact OH-O 3.4Å; C229-A233 VanDerWaalsContact O-CB 3.27Å; C229-A233 WeakPolarHBondContact O-CB 3.32Å; C229-A233 PolarHBondContact O-N 2.98Å; L231-A233 PolarHBondContact O-N 2.93Å; A233-T236 PolarHBondContact O-OG1 3.03Å; A233-T236 VanDerWaalsContact O-OG1 3.09Å; A233-Q237 WeakPolarHBondContact O-CG 3.07Å |
| 234 | R | 89.2 | Confident | 87.8 | Confident | 174 Ų | 174 | 87.1 Ų | 87.1 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.7 | -37.5 | 173.1 | -73.6 | -177.1 | -178.2 | -155.8 | 1.1 | 113.5 | A230 L231 L232 Q237 | A230-R234 WeakPolarHBondContact O-CG 3.44Å; A230-R234 PolarHBondContact O-N 2.89Å; A230-R234 VanDerWaalsContact O-N 3.16Å; L231-R234 PolarHBondContact O-N 3.47Å; L232-R234 VanDerWaalsContact C-N 3.26Å; L232-R234 PolarHBondContact O-N 3.01Å; R234-Q237 PolarHBondContact O-N 2.99Å |
| 235 | L | 88.4 | Confident | 87.6 | Confident | 121 Ų | 121 | 81.7 Ų | 81.7 | 63% | 0.634 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.3 | -35.3 | 179.7 | -71.5 | 174 | 0 | 0 | 0 | 112.1 | L231 L232 Q237 K238 | L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 3.04Å; L232-L235 PolarHBondContact O-N 2.96Å; L232-L235 VanDerWaalsContact O-N 3.17Å; L235-Q237 PolarHBondContact O-N 2.86Å; L235-K238 PolarHBondContact O-N 2.69Å |
| 236 | T | 83.7 | Confident | 87.2 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -5.2 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | R59 L232 A233 K238 | R59-T236 PolarHBondContact NH1-O 3.05Å; R59-T236 PolarHBondContact NH2-O 3.02Å; R59-T236 VanDerWaalsContact NH2-O 3.13Å; L232-T236 WeakPolarHBondContact O-CG2 3.42Å; L232-T236 PolarHBondContact O-N 3.36Å; L232-T236 PolarHBondContact O-OG1 2.85Å; A233-T236 PolarHBondContact O-OG1 3.03Å; A233-T236 VanDerWaalsContact O-OG1 3.09Å; T236-K238 VanDerWaalsContact C-N 3.32Å |
| 237 | Q | 76.7 | Confident | 86.6 | Confident | 132 Ų | 132 | 92.6 Ų | 92.6 | 62% | 0.617 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.3 | 172.1 | -78.5 | 179.8 | -31.1 | 0 | 0 | 113.4 | Y63 A233 R234 L235 | Y63-Q237 VanDerWaalsContact OH-CD 3.3Å; Y63-Q237 PolarHBondContact OH-NE2 3.44Å; Y63-Q237 VanDerWaalsContact OH-NE2 3.09Å; A233-Q237 WeakPolarHBondContact O-CG 3.07Å; R234-Q237 PolarHBondContact O-N 2.99Å; L235-Q237 PolarHBondContact O-N 2.86Å |
| 238 | K | 60.9 | Low | 86 | Confident | 240 Ų | 240 | 92 Ų | 92 | 100% | 1.043 | 43% | 0.434 | S | S | * | . | trans | -85.6 | 0 | 171.1 | -66.5 | -172.1 | 178.2 | -175 | 0 | 110.5 | L235 T236 | L235-K238 PolarHBondContact O-N 2.69Å; T236-K238 VanDerWaalsContact C-N 3.32Å |
Retrieved 238 of 238 residues in 176.4 ms
(Link to these results)