| 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 | 55 | Low | 81.2 | Confident | 192 Ų | 192 | 55.6 Ų | 55.6 | 95% | 0.946 | 33% | 0.33 | S | S | * | . | 0 | 130.3 | 0 | -95 | -177.1 | -89.3 | 0 | 0 | 107.1 | V3 K56 | M1-V3 PolarHBondContact O-N 3.47Å; M1-K56 PolarHBondContact SD-NZ 2.94Å; M1-K56 VanDerWaalsContact SD-NZ 3.4Å | |||
| 2 | A | 65.5 | Low | 80.8 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 80% | 0.802 | 36% | 0.361 | S | S | * | . | trans | -65.8 | 116.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | S4 | A2-S4 PolarHBondContact O-N 2.78Š| ||
| 3 | V | 78 | Confident | 81.2 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | trans | -65.1 | 127.6 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | M1 V28 F52 Y69 L70 | M1-V3 PolarHBondContact O-N 3.47Å; V3-V28 HydrophobicContact CB-CG1 3.88Å; V3-V28 HydrophobicContact CB-CG2 4.07Å; V3-V28 HydrophobicContact CG1-CG1 3.95Å; V3-F52 HydrophobicContact CG1-CZ 4.45Å; V3-Y69 HydrophobicContact CG1-CD1 3.73Å; V3-Y69 HydrophobicContact CG1-CE1 3.47Å; V3-Y69 VanDerWaalsContact CG1-CE1 3.47Å; V3-Y69 WeakPolarHBondContact CG2-O 3.5Å; V3-L70 HydrophobicContact CG1-CD2 3.84Å | ||
| 4 | S | 84.9 | Confident | 81.8 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | trans | -145.5 | 140.7 | 179.2 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | A2 S54 S55 | A2-S4 PolarHBondContact O-N 2.78Å; S4-S54 CarbonylContact O-C 3.52Å; S4-S54 WeakPolarHBondContact O-CA 3.39Å; S4-S55 PolarHBondContact O-N 3.31Å; S4-S55 PolarHBondContact O-OG 3.32Å; S4-S55 WeakPolarHBondContact OG-CB 3.29Å; S4-S55 PolarHBondContact OG-OG 2.78Å | ||
| 5 | G | 89.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.9 | -176.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K31 V53 | G5-K31 PolarHBondContact O-N 3.44Å; G5-V53 CarbonylContact C-O 3.56Å; G5-V53 WeakPolarHBondContact CA-O 3.2Å |
| 6 | T | 91.7 | Very high | 82.8 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.1 | 175.4 | -52.7 | 0 | 0 | 0 | 0 | 109.9 | Y8 K31 D33 F52 V53 | T6-Y8 HydrophobicContact CG2-CD2 4.18Å; T6-Y8 HydrophobicContact CG2-CE1 4.14Å; T6-Y8 HydrophobicContact CG2-CE2 3.72Å; T6-K31 CarbonylContact C-O 3.43Å; T6-K31 VanDerWaalsContact CA-O 3.3Å; T6-K31 WeakPolarHBondContact CA-O 3.29Å; T6-K31 HydrophobicContact CG2-CB 4.4Å; T6-K31 HydrophobicContact CG2-CD 4.32Å; T6-K31 HydrophobicContact CG2-CG 4.22Å; T6-D33 HydrophobicContact CG2-CB 3.95Å; T6-F52 WeakPolarHBondContact O-CA 3.36Å; T6-F52 WeakPolarHBondContact O-CD2 3.35Å; T6-V53 PolarHBondContact N-O 3.36Å; T6-V53 PolarHBondContact O-N 3.1Å |
| 7 | L | 91.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 109.4 | 172.8 | 179.5 | 65.7 | 0 | 0 | 0 | 109.3 | I9 L19 L30 K31 T32 D33 Y51 F52 I66 | L7-I9 HydrophobicContact CD1-CG2 4.12Å; L7-I9 HydrophobicContact CD2-CG2 3.92Å; L7-I9 HydrophobicContact CG-CG2 3.69Å; L7-L19 HydrophobicContact CD1-CD1 3.8Å; L7-L19 HydrophobicContact CD2-CB 3.86Å; L7-L19 HydrophobicContact CD2-CD1 4.09Å; L7-L30 HydrophobicContact CB-CD1 4.39Å; L7-L30 HydrophobicContact CD2-CD1 4.12Å; L7-K31 PolarHBondContact N-O 2.99Å; L7-T32 VanDerWaalsContact O-CA 3.24Å; L7-T32 WeakPolarHBondContact O-CA 3.49Å; L7-D33 PolarHBondContact O-N 3.29Å; L7-Y51 CarbonylContact C-O 3.56Å; L7-F52 HydrophobicContact CB-CD2 4.32Å; L7-F52 HydrophobicContact CD1-CB 4.19Å; L7-I66 HydrophobicContact CD1-CD1 4.37Å; L7-I66 HydrophobicContact CD1-CG2 4.27Å |
| 8 | Y | 90.6 | Very high | 84 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.1 | 173.8 | -57.5 | -95.4 | 0 | 0 | 0 | 109.2 | T6 D33 M37 V38 V50 Y51 V53 | T6-Y8 HydrophobicContact CG2-CD2 4.18Å; T6-Y8 HydrophobicContact CG2-CE1 4.14Å; T6-Y8 HydrophobicContact CG2-CE2 3.72Å; Y8-D33 VanDerWaalsContact CA-O 3.32Å; Y8-D33 WeakPolarHBondContact CA-O 3.37Å; Y8-D33 HydrophobicContact CD1-CB 3.73Å; Y8-D33 HydrophobicContact CE1-CB 3.81Å; Y8-M37 HydrophobicContact CD1-CB 4.36Å; Y8-M37 HydrophobicContact CE1-CB 4.27Å; Y8-V38 HydrophobicContact CD1-CG2 3.71Å; Y8-V38 HydrophobicContact CD2-CG2 4.13Å; Y8-V38 HydrophobicContact CE1-CG2 4.42Å; Y8-V38 HydrophobicContact CG-CG2 3.55Å; Y8-V50 WeakPolarHBondContact O-CA 3.43Å; Y8-Y51 HydrophobicContact CD2-CD1 4.03Å; Y8-Y51 PolarHBondContact N-O 3.09Å; Y8-Y51 PolarHBondContact O-N 3.39Å; Y8-V53 HydrophobicContact CD2-CG2 4.37Å; Y8-V53 HydrophobicContact CE2-CB 4.27Å; Y8-V53 HydrophobicContact CE2-CG2 3.78Å |
| 9 | I | 88.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.4 | -170.9 | 43 | 161.7 | 0 | 0 | 0 | 110.4 | L7 A16 T32 D33 L35 V50 | L7-I9 HydrophobicContact CD1-CG2 4.12Å; L7-I9 HydrophobicContact CD2-CG2 3.92Å; L7-I9 HydrophobicContact CG-CG2 3.69Å; I9-A16 HydrophobicContact CB-CB 3.81Å; I9-A16 HydrophobicContact CD1-CB 3.61Å; I9-A16 HydrophobicContact CG1-CB 4.31Å; I9-A16 HydrophobicContact CG2-CB 3.76Å; I9-T32 HydrophobicContact CD1-CG2 4.02Å; I9-D33 PolarHBondContact N-O 2.99Å; I9-L35 PolarHBondContact O-N 3.16Å; I9-V50 HydrophobicContact CG2-CB 4.38Å; I9-V50 HydrophobicContact CG2-CG1 3.9Å |
| 10 | S | 82.5 | Confident | 85 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | trans | -74.9 | 122.5 | 157.7 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | N12 S13 | S10-N12 PolarHBondContact O-N 2.99Å; S10-S13 VanDerWaalsContact O-CB 3.26Å; S10-S13 WeakPolarHBondContact O-CB 3.23Å; S10-S13 PolarHBondContact O-N 3.22Å; S10-S13 VanDerWaalsContact O-N 3.1Å; S10-S13 PolarHBondContact O-OG 2.75Å | ||
| 11 | Q | 75.3 | Confident | 85.5 | Confident | 104 Ų | 104 | 46.1 Ų | 46.1 | 49% | 0.486 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 139.1 | -178 | -65.3 | -64.1 | -22.8 | 0 | 0 | 110.5 | S13 | Q11-S13 PolarHBondContact O-N 2.91Š|
| 12 | N | 76.5 | Confident | 87.4 | Confident | 131 Ų | 131 | 37 Ų | 37 | 70% | 0.701 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 5.1 | -176.6 | -61 | -42.1 | 0 | 0 | 0 | 116.7 | S10 | S10-N12 PolarHBondContact O-N 2.99Š|
| 13 | S | 85.4 | Confident | 88.6 | Confident | 25 Ų | 25 | 32.6 Ų | 32.6 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | trans | -63.1 | 153.5 | 174.1 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | S10 Q11 H15 A16 K17 | S10-S13 VanDerWaalsContact O-CB 3.26Å; S10-S13 WeakPolarHBondContact O-CB 3.23Å; S10-S13 PolarHBondContact O-N 3.22Å; S10-S13 VanDerWaalsContact O-N 3.1Å; S10-S13 PolarHBondContact O-OG 2.75Å; Q11-S13 PolarHBondContact O-N 2.91Å; S13-H15 VanDerWaalsContact C-N 3.31Å; S13-H15 PolarHBondContact O-N 2.77Å; S13-A16 WeakPolarHBondContact O-CB 3.24Å; S13-A16 PolarHBondContact O-N 3.27Å; S13-A16 VanDerWaalsContact O-N 3.15Å; S13-A16 WeakPolarHBondContact OG-CB 3.44Å; S13-A16 PolarHBondContact OG-N 2.79Å; S13-K17 PolarHBondContact O-N 3.17Å; S13-K17 VanDerWaalsContact O-N 3.14Å | ||
| 14 | F | 89.5 | Confident | 89.4 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 25% | 0.246 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.2 | -47.5 | 178.8 | 177 | -98.2 | 0 | 0 | 0 | 112.2 | K18 L98 C157 N158 P161 | F14-K18 PolarHBondContact O-N 3.47Å; F14-L98 HydrophobicContact CE1-CD1 3.85Å; F14-L98 HydrophobicContact CE1-CD2 4.08Å; F14-L98 HydrophobicContact CZ-CD1 3.73Å; F14-C157 VanDerWaalsContact CE2-O 3.26Å; F14-C157 WeakPolarHBondContact CE2-O 3.41Å; F14-C157 WeakPolarHBondContact CZ-O 3.37Å; F14-N158 VanDerWaalsContact CZ-OD1 3.3Å; F14-N158 WeakPolarHBondContact CZ-OD1 3.21Å; F14-P161 HydrophobicContact CE2-CG 4.19Å |
| 15 | H | 90 | Very high | 89.7 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70 | -33.9 | 179.2 | -65 | -77.4 | 0 | 0 | 0 | 113 | S13 K18 L19 Q49 V50 P63 | S13-H15 VanDerWaalsContact C-N 3.31Å; S13-H15 PolarHBondContact O-N 2.77Å; H15-K18 PolarHBondContact O-N 3.11Å; H15-L19 VanDerWaalsContact O-CG 3.32Å; H15-L19 WeakPolarHBondContact O-CG 3.45Å; H15-L19 PolarHBondContact O-N 2.74Å; H15-Q49 PolarHBondContact CD2-OE1 3.38Å; H15-Q49 PolarHBondContact NE2-OE1 3.05Å; H15-Q49 VanDerWaalsContact NE2-OE1 3.16Å; H15-V50 HydrophobicContact CB-CG1 3.61Å; H15-P63 HydrophobicContact CB-CG 4.47Å; H15-P63 WeakPolarHBondContact ND1-CG 3.23Å |
| 16 | A | 90.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -52.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I9 S13 K18 L19 L20 | I9-A16 HydrophobicContact CB-CB 3.81Å; I9-A16 HydrophobicContact CD1-CB 3.61Å; I9-A16 HydrophobicContact CG1-CB 4.31Å; I9-A16 HydrophobicContact CG2-CB 3.76Å; S13-A16 WeakPolarHBondContact O-CB 3.24Å; S13-A16 PolarHBondContact O-N 3.27Å; S13-A16 VanDerWaalsContact O-N 3.15Å; S13-A16 WeakPolarHBondContact OG-CB 3.44Å; S13-A16 PolarHBondContact OG-N 2.79Å; A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.48Å; A16-L19 PolarHBondContact O-N 3.13Å; A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 VanDerWaalsContact O-CG 3.26Å; A16-L20 WeakPolarHBondContact O-CG 3.09Å; A16-L20 PolarHBondContact O-N 3.04Å |
| 17 | K | 92.9 | Very high | 89.6 | Confident | 63 Ų | 63 | 40.1 Ų | 40.1 | 27% | 0.274 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 179.7 | -67.8 | -169.2 | 176.6 | -173.6 | 0 | 112 | S13 L19 L20 A21 V194 Y195 | S13-K17 PolarHBondContact O-N 3.17Å; S13-K17 VanDerWaalsContact O-N 3.14Å; K17-L19 PolarHBondContact O-N 2.96Å; K17-L20 PolarHBondContact O-N 3.08Å; K17-A21 WeakPolarHBondContact O-CB 3.21Å; K17-A21 PolarHBondContact O-N 2.83Å; K17-V194 HydrophobicContact CB-CG1 4.24Å; K17-V194 WeakPolarHBondContact O-CG1 3.27Å; K17-Y195 HydrophobicContact CB-CE1 3.85Å; K17-Y195 HydrophobicContact CB-CE2 4.01Å; K17-Y195 WeakPolarHBondContact CB-OH 3.29Å; K17-Y195 HydrophobicContact CD-CD1 4.02Å; K17-Y195 HydrophobicContact CD-CE1 3.88Å |
| 18 | K | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.2 | -51.8 | 174 | -177.9 | -168.7 | -72 | -168.6 | 0 | 111.2 | F14 H15 A16 A21 V22 D94 V154 C157 N158 Y195 | F14-K18 PolarHBondContact O-N 3.47Å; H15-K18 PolarHBondContact O-N 3.11Å; A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.48Å; K18-A21 PolarHBondContact O-N 2.65Å; K18-V22 WeakPolarHBondContact O-CG2 3.34Å; K18-V22 PolarHBondContact O-N 3.25Å; K18-V22 VanDerWaalsContact O-N 3.12Å; K18-D94 IonicContact NZ-OD1 3.72Å; K18-D94 PolarHBondContact NZ-OD1 3.16Å; K18-V154 HydrophobicContact CD-CB 4.5Å; K18-V154 HydrophobicContact CD-CG1 4.07Å; K18-V154 HydrophobicContact CD-CG2 4.08Å; K18-V154 HydrophobicContact CG-CG2 4.18Å; K18-C157 HydrophobicContact CB-CB 4.24Å; K18-C157 HydrophobicContact CG-CB 4.03Å; K18-N158 WeakPolarHBondContact CE-OD1 3.43Å; K18-N158 PolarHBondContact NZ-OD1 3.12Å; K18-Y195 PolarHBondContact N-OH 3.25Å |
| 19 | L | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | -178.7 | -69.8 | 177.5 | 0 | 0 | 0 | 113.2 | L7 H15 A16 K17 A21 V22 A23 V50 P63 I66 A67 L70 | L7-L19 HydrophobicContact CD1-CD1 3.8Å; L7-L19 HydrophobicContact CD2-CB 3.86Å; L7-L19 HydrophobicContact CD2-CD1 4.09Å; H15-L19 VanDerWaalsContact O-CG 3.32Å; H15-L19 WeakPolarHBondContact O-CG 3.45Å; H15-L19 PolarHBondContact O-N 2.74Å; A16-L19 PolarHBondContact O-N 3.13Å; K17-L19 PolarHBondContact O-N 2.96Å; L19-A21 VanDerWaalsContact C-N 3.35Å; L19-V22 PolarHBondContact O-N 3.06Å; L19-A23 WeakPolarHBondContact O-CB 3.33Å; L19-A23 PolarHBondContact O-N 3.46Å; L19-V50 HydrophobicContact CD1-CB 4.09Å; L19-V50 HydrophobicContact CD1-CG1 3.98Å; L19-V50 HydrophobicContact CD1-CG2 4.21Å; L19-P63 WeakPolarHBondContact CD2-O 3.36Å; L19-I66 HydrophobicContact CD1-CB 4.32Å; L19-I66 HydrophobicContact CD1-CD1 4.27Å; L19-I66 HydrophobicContact CD1-CG2 4.02Å; L19-I66 HydrophobicContact CD2-CB 3.93Å; L19-I66 HydrophobicContact CD2-CG2 3.8Å; L19-I66 HydrophobicContact CG-CG2 4.49Å; L19-A67 HydrophobicContact CD2-CB 3.95Å; L19-L70 HydrophobicContact CD2-CD1 4.41Å |
| 20 | L | 93.5 | Very high | 89 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.7 | -70.2 | 172.8 | 0 | 0 | 0 | 111.5 | A16 K17 V22 A23 E24 T32 V194 | A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 VanDerWaalsContact O-CG 3.26Å; A16-L20 WeakPolarHBondContact O-CG 3.09Å; A16-L20 PolarHBondContact O-N 3.04Å; K17-L20 PolarHBondContact O-N 3.08Å; L20-V22 VanDerWaalsContact C-N 3.32Å; L20-V22 PolarHBondContact O-N 3.09Å; L20-A23 PolarHBondContact O-N 2.88Å; L20-E24 WeakPolarHBondContact O-CB 3.49Å; L20-E24 WeakPolarHBondContact O-CG 3.44Å; L20-E24 PolarHBondContact O-N 3.12Å; L20-T32 HydrophobicContact CD2-CG2 3.87Å; L20-V194 HydrophobicContact CB-CG1 3.73Å; L20-V194 HydrophobicContact CB-CG2 4.11Å |
| 21 | A | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K17 K18 L19 E24 L25 V153 F190 V194 Y195 | K17-A21 WeakPolarHBondContact O-CB 3.21Å; K17-A21 PolarHBondContact O-N 2.83Å; K18-A21 PolarHBondContact O-N 2.65Å; L19-A21 VanDerWaalsContact C-N 3.35Å; A21-E24 PolarHBondContact O-N 2.84Å; A21-L25 WeakPolarHBondContact O-CB 3.41Å; A21-L25 PolarHBondContact O-N 3.16Å; A21-V153 HydrophobicContact CB-CG1 4Å; A21-F190 HydrophobicContact CB-CD2 4.47Å; A21-F190 VanDerWaalsContact O-CD2 3.28Å; A21-F190 WeakPolarHBondContact O-CD2 3.41Å; A21-V194 HydrophobicContact CB-CB 4.4Å; A21-V194 HydrophobicContact CB-CG1 4.36Å; A21-V194 HydrophobicContact CB-CG2 4.46Å; A21-Y195 HydrophobicContact CB-CE2 4.11Å |
| 22 | V | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | 174.7 | 176 | 0 | 0 | 0 | 0 | 111.7 | K18 L19 L20 E24 L25 S26 A67 L70 V150 V153 V154 | K18-V22 WeakPolarHBondContact O-CG2 3.34Å; K18-V22 PolarHBondContact O-N 3.25Å; K18-V22 VanDerWaalsContact O-N 3.12Å; L19-V22 PolarHBondContact O-N 3.06Å; L20-V22 VanDerWaalsContact C-N 3.32Å; L20-V22 PolarHBondContact O-N 3.09Å; V22-E24 PolarHBondContact O-N 3.43Å; V22-L25 PolarHBondContact O-N 2.78Å; V22-S26 PolarHBondContact O-N 2.75Å; V22-S26 VanDerWaalsContact O-N 3.11Å; V22-S26 PolarHBondContact O-OG 3.09Å; V22-A67 HydrophobicContact CG1-CB 4.32Å; V22-A67 WeakPolarHBondContact CG1-O 3.14Å; V22-A67 HydrophobicContact CG2-CB 4.28Å; V22-L70 HydrophobicContact CG1-CB 4.02Å; V22-V150 HydrophobicContact CB-CG2 4.49Å; V22-V150 HydrophobicContact CG1-CG2 3.79Å; V22-V150 HydrophobicContact CG2-CG2 3.8Å; V22-V153 HydrophobicContact CG2-CB 4.41Å; V22-V153 HydrophobicContact CG2-CG1 3.88Å; V22-V154 HydrophobicContact CG2-CG2 4.37Å |
| 23 | A | 92.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L19 L20 S26 N27 V28 L30 L70 | L19-A23 WeakPolarHBondContact O-CB 3.33Å; L19-A23 PolarHBondContact O-N 3.46Å; L20-A23 PolarHBondContact O-N 2.88Å; A23-S26 CarbonylContact O-C 3.5Å; A23-S26 PolarHBondContact O-N 3.13Å; A23-N27 PolarHBondContact O-N 3.02Å; A23-V28 HydrophobicContact CB-CB 4.39Å; A23-V28 PolarHBondContact O-N 3.2Å; A23-L30 HydrophobicContact CB-CD1 3.42Å; A23-L30 VanDerWaalsContact CB-CD1 3.42Å; A23-L30 HydrophobicContact CB-CG 3.94Å; A23-L70 HydrophobicContact CB-CD1 4.34Å |
| 24 | E | 92.8 | Very high | 90.9 | Very high | 62 Ų | 62 | 48.2 Ų | 48.2 | 29% | 0.29 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 176.9 | -71.1 | -71.5 | 168.3 | 0 | 0 | 112.1 | L20 A21 V22 S26 N27 F190 K193 V194 | L20-E24 WeakPolarHBondContact O-CB 3.49Å; L20-E24 WeakPolarHBondContact O-CG 3.44Å; L20-E24 PolarHBondContact O-N 3.12Å; A21-E24 PolarHBondContact O-N 2.84Å; V22-E24 PolarHBondContact O-N 3.43Å; E24-S26 PolarHBondContact O-N 3.19Å; E24-N27 PolarHBondContact O-N 3.11Å; E24-F190 HydrophobicContact CB-CB 3.79Å; E24-K193 HydrophobicContact CG-CD 4.4Å; E24-K193 VanDerWaalsContact OE1-CE 3.32Å; E24-K193 WeakPolarHBondContact OE1-CE 3.35Å; E24-K193 IonicContact OE1-NZ 3.15Å; E24-K193 PolarHBondContact OE1-NZ 2.91Å; E24-K193 WeakPolarHBondContact OE2-CD 3.26Å; E24-K193 IonicContact OE2-NZ 2.68Å; E24-K193 PolarHBondContact OE2-NZ 3.23Å; E24-V194 HydrophobicContact CB-CG2 4.32Å; E24-V194 HydrophobicContact CG-CG2 3.74Å |
| 25 | L | 91.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.4 | -42.5 | 172.4 | 170.9 | 65.7 | 0 | 0 | 0 | 111.3 | A21 V22 L148 V153 F190 | A21-L25 WeakPolarHBondContact O-CB 3.41Å; A21-L25 PolarHBondContact O-N 3.16Å; V22-L25 PolarHBondContact O-N 2.78Å; L25-L148 HydrophobicContact CD1-CD2 3.68Å; L25-L148 HydrophobicContact CD1-CG 4.33Å; L25-V153 HydrophobicContact CD2-CG2 3.7Å; L25-F190 HydrophobicContact CB-CD1 4.3Å; L25-F190 HydrophobicContact CB-CD2 3.89Å; L25-F190 HydrophobicContact CB-CE1 4.43Å; L25-F190 HydrophobicContact CB-CE2 4.06Å; L25-F190 HydrophobicContact CB-CG 4.05Å; L25-F190 HydrophobicContact CB-CZ 4.34Å; L25-F190 HydrophobicContact CD1-CD1 3.95Å; L25-F190 HydrophobicContact CD1-CE1 3.68Å; L25-F190 HydrophobicContact CD1-CZ 4.07Å |
| 26 | S | 89.9 | Confident | 90.2 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 12% | 0.119 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 8.7 | -174.9 | -61.6 | 0 | 0 | 0 | 0 | 114.2 | V22 A23 E24 V28 L70 S71 | V22-S26 PolarHBondContact O-N 2.75Å; V22-S26 VanDerWaalsContact O-N 3.11Å; V22-S26 PolarHBondContact O-OG 3.09Å; A23-S26 CarbonylContact O-C 3.5Å; A23-S26 PolarHBondContact O-N 3.13Å; E24-S26 PolarHBondContact O-N 3.19Å; S26-V28 PolarHBondContact O-N 3.1Å; S26-L70 WeakPolarHBondContact CB-O 3.36Å; S26-S71 WeakPolarHBondContact OG-CA 3.43Å; S26-S71 PolarHBondContact OG-O 3.28Å |
| 27 | N | 88.9 | Confident | 89.7 | Confident | 145 Ų | 145 | 57 Ų | 57 | 78% | 0.775 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34.4 | -176.2 | -67 | -55.3 | 0 | 0 | 0 | 113.4 | A23 E24 | A23-N27 PolarHBondContact O-N 3.02Å; E24-N27 PolarHBondContact O-N 3.11Å |
| 28 | V | 89.3 | Confident | 88.9 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 9% | 0.085 | 28% | 0.284 | C | S | . | . | trans | -87.9 | 118.1 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | V3 A23 S26 L30 L70 | V3-V28 HydrophobicContact CB-CG1 3.88Å; V3-V28 HydrophobicContact CB-CG2 4.07Å; V3-V28 HydrophobicContact CG1-CG1 3.95Å; A23-V28 HydrophobicContact CB-CB 4.39Å; A23-V28 PolarHBondContact O-N 3.2Å; S26-V28 PolarHBondContact O-N 3.1Å; V28-L30 HydrophobicContact CG1-CD2 4Å; V28-L30 HydrophobicContact CG1-CG 4.03Å; V28-L30 PolarHBondContact O-N 3.22Å; V28-L30 VanDerWaalsContact O-N 3.16Å; V28-L70 HydrophobicContact CG1-CD2 4.07Å; V28-L70 WeakPolarHBondContact CG2-O 3.29Å | ||
| 29 | K | 85 | Confident | 87.6 | Confident | 200 Ų | 200 | 63.2 Ų | 63.2 | 87% | 0.87 | 32% | 0.319 | S | S | * | . | trans | -76.9 | 101.1 | 172.4 | -66.6 | -174.8 | -179.4 | -178.2 | 0 | 109.6 | ||||
| 30 | L | 85.5 | Confident | 85.8 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | trans | -93.7 | 132.7 | 174.5 | -72.8 | 179.9 | 0 | 0 | 0 | 111.6 | L7 A23 V28 F52 L70 | L7-L30 HydrophobicContact CB-CD1 4.39Å; L7-L30 HydrophobicContact CD2-CD1 4.12Å; A23-L30 HydrophobicContact CB-CD1 3.42Å; A23-L30 VanDerWaalsContact CB-CD1 3.42Å; A23-L30 HydrophobicContact CB-CG 3.94Å; V28-L30 HydrophobicContact CG1-CD2 4Å; V28-L30 HydrophobicContact CG1-CG 4.03Å; V28-L30 PolarHBondContact O-N 3.22Å; V28-L30 VanDerWaalsContact O-N 3.16Å; L30-F52 HydrophobicContact CD2-CD2 4.41Å; L30-F52 HydrophobicContact CD2-CE2 3.72Å; L30-L70 HydrophobicContact CD1-CD1 3.71Å; L30-L70 HydrophobicContact CD1-CD2 3.79Å; L30-L70 HydrophobicContact CD1-CG 4.4Å; L30-L70 HydrophobicContact CD2-CD2 3.64Å; L30-L70 HydrophobicContact CG-CD2 4.07Å | ||
| 31 | K | 91.4 | Very high | 83.9 | Confident | 128 Ų | 128 | 70.5 Ų | 70.5 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.3 | 158.7 | -174.5 | 180 | 174.9 | -168.8 | 0 | 107.5 | G5 T6 L7 | G5-K31 PolarHBondContact O-N 3.44Å; T6-K31 CarbonylContact C-O 3.43Å; T6-K31 VanDerWaalsContact CA-O 3.3Å; T6-K31 WeakPolarHBondContact CA-O 3.29Å; T6-K31 HydrophobicContact CG2-CB 4.4Å; T6-K31 HydrophobicContact CG2-CD 4.32Å; T6-K31 HydrophobicContact CG2-CG 4.22Å; L7-K31 PolarHBondContact N-O 2.99Å |
| 32 | T | 91 | Very high | 82.1 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 149 | 170.6 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | L7 I9 L20 | L7-T32 VanDerWaalsContact O-CA 3.24Å; L7-T32 WeakPolarHBondContact O-CA 3.49Å; I9-T32 HydrophobicContact CD1-CG2 4.02Å; L20-T32 HydrophobicContact CD2-CG2 3.87Å |
| 33 | D | 90.1 | Very high | 80.1 | Confident | 50 Ų | 50 | 81.1 Ų | 81.1 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 167.4 | 172.8 | -146.3 | -29 | 0 | 0 | 0 | 109.7 | T6 L7 Y8 I9 | T6-D33 HydrophobicContact CG2-CB 3.95Å; L7-D33 PolarHBondContact O-N 3.29Å; Y8-D33 VanDerWaalsContact CA-O 3.32Å; Y8-D33 WeakPolarHBondContact CA-O 3.37Å; Y8-D33 HydrophobicContact CD1-CB 3.73Å; Y8-D33 HydrophobicContact CE1-CB 3.81Å; I9-D33 PolarHBondContact N-O 2.99Å |
| 34 | D | 86.3 | Confident | 78.3 | Confident | 58 Ų | 58 | 84 Ų | 84 | 31% | 0.31 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 140.6 | 179.4 | -165.7 | -78.7 | 0 | 0 | 0 | 111 | T36 M37 | D34-T36 PolarHBondContact O-N 3.39Å; D34-T36 VanDerWaalsContact OD1-CB 3.28Å; D34-T36 WeakPolarHBondContact OD1-CB 3.41Å; D34-T36 VanDerWaalsContact OD1-CG2 3.3Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.48Å; D34-T36 PolarHBondContact OD1-N 2.74Å; D34-T36 PolarHBondContact OD1-OG1 3.05Å; D34-M37 HydrophobicContact CB-CG 4.23Å; D34-M37 WeakPolarHBondContact O-CB 3.07Å; D34-M37 PolarHBondContact O-N 2.86Å |
| 35 | L | 83.3 | Confident | 76.4 | Confident | 39 Ų | 39 | 89.2 Ų | 89.2 | 20% | 0.204 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -59 | -28.8 | 179.5 | -164.7 | 70.4 | 0 | 0 | 0 | 112.9 | I9 M37 V38 N48 | I9-L35 PolarHBondContact O-N 3.16Å; L35-M37 PolarHBondContact O-N 2.82Å; L35-V38 HydrophobicContact CD1-CG2 4.22Å; L35-V38 WeakPolarHBondContact O-CB 3.42Å; L35-V38 WeakPolarHBondContact O-CG2 3.26Å; L35-V38 PolarHBondContact O-N 2.91Å; L35-N48 VanDerWaalsContact CD2-C 3.4Å; L35-N48 WeakPolarHBondContact CD2-O 3.15Å |
| 36 | T | 81 | Confident | 74.7 | Confident | 121 Ų | 121 | 94.2 Ų | 94.2 | 74% | 0.742 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -65.3 | -16.1 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | D34 V38 | D34-T36 PolarHBondContact O-N 3.39Å; D34-T36 VanDerWaalsContact OD1-CB 3.28Å; D34-T36 WeakPolarHBondContact OD1-CB 3.41Å; D34-T36 VanDerWaalsContact OD1-CG2 3.3Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.48Å; D34-T36 PolarHBondContact OD1-N 2.74Å; D34-T36 PolarHBondContact OD1-OG1 3.05Å; T36-V38 VanDerWaalsContact C-N 3.3Å |
| 37 | M | 81.4 | Confident | 73.2 | Confident | 114 Ų | 114 | 94.8 Ų | 94.8 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -83.6 | -6.2 | 178.5 | -62.4 | -66 | -74.5 | 0 | 0 | 113.2 | Y8 D34 L35 K39 | Y8-M37 HydrophobicContact CD1-CB 4.36Å; Y8-M37 HydrophobicContact CE1-CB 4.27Å; D34-M37 HydrophobicContact CB-CG 4.23Å; D34-M37 WeakPolarHBondContact O-CB 3.07Å; D34-M37 PolarHBondContact O-N 2.86Å; L35-M37 PolarHBondContact O-N 2.82Å; M37-K39 PolarHBondContact O-N 3.49Å; M37-K39 VanDerWaalsContact O-N 3.16Å |
| 38 | V | 76.1 | Confident | 72 | Confident | 24 Ų | 24 | 94.2 Ų | 94.2 | 15% | 0.145 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -67.7 | 113.4 | 174.4 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | Y8 L35 T36 S40 H42 Y51 | Y8-V38 HydrophobicContact CD1-CG2 3.71Å; Y8-V38 HydrophobicContact CD2-CG2 4.13Å; Y8-V38 HydrophobicContact CE1-CG2 4.42Å; Y8-V38 HydrophobicContact CG-CG2 3.55Å; L35-V38 HydrophobicContact CD1-CG2 4.22Å; L35-V38 WeakPolarHBondContact O-CB 3.42Å; L35-V38 WeakPolarHBondContact O-CG2 3.26Å; L35-V38 PolarHBondContact O-N 2.91Å; T36-V38 VanDerWaalsContact C-N 3.3Å; V38-S40 PolarHBondContact O-N 2.8Å; V38-H42 HydrophobicContact CG1-CB 4.19Å; V38-Y51 HydrophobicContact CG1-CD1 4.1Å; V38-Y51 HydrophobicContact CG1-CE1 4.26Å; V38-Y51 HydrophobicContact CG2-CD1 4.07Å; V38-Y51 HydrophobicContact CG2-CG 4.39Å |
| 39 | K | 66.1 | Low | 71.4 | Confident | 168 Ų | 168 | 98.1 Ų | 98.1 | 73% | 0.73 | 51% | 0.507 | S | S | * | . | trans | -65.4 | 134.2 | 177 | -65.6 | -176.8 | 179.4 | -179.1 | 0 | 109.8 | M37 T41 H42 | M37-K39 PolarHBondContact O-N 3.49Å; M37-K39 VanDerWaalsContact O-N 3.16Å; K39-T41 PolarHBondContact O-N 3.14Å; K39-H42 PolarHBondContact O-N 3.42Å; K39-H42 VanDerWaalsContact O-N 3.17Å | ||
| 40 | S | 57.5 | Low | 71.5 | Confident | 83 Ų | 83 | 88.6 Ų | 88.6 | 58% | 0.58 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -51.6 | -18.5 | -168.3 | 56.7 | 0 | 0 | 0 | 0 | 116.9 | V38 H42 E43 | V38-S40 PolarHBondContact O-N 2.8Å; S40-H42 PolarHBondContact O-N 2.8Å; S40-E43 WeakPolarHBondContact CA-OE1 3.42Å; S40-E43 WeakPolarHBondContact CB-OE1 3.13Å; S40-E43 PolarHBondContact O-N 2.82Å |
| 41 | T | 52.4 | Low | 71.7 | Confident | 120 Ų | 120 | 88.1 Ų | 88.1 | 74% | 0.736 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -64.1 | -6.3 | 175.1 | 46.4 | 0 | 0 | 0 | 0 | 114.4 | K39 | K39-T41 PolarHBondContact O-N 3.14Š|
| 42 | H | 57 | Low | 71.6 | Confident | 80 Ų | 80 | 82.1 Ų | 82.1 | 37% | 0.37 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -124.1 | 9.4 | 179.2 | -65.7 | -55.7 | 0 | 0 | 0 | 114 | V38 K39 S40 N44 Y51 H59 | V38-H42 HydrophobicContact CG1-CB 4.19Å; K39-H42 PolarHBondContact O-N 3.42Å; K39-H42 VanDerWaalsContact O-N 3.17Å; S40-H42 PolarHBondContact O-N 2.8Å; H42-N44 VanDerWaalsContact C-N 3.33Å; H42-N44 PolarHBondContact O-N 2.97Å; H42-Y51 HydrophobicContact CB-CE1 4.2Å; H42-Y51 HydrophobicContact CB-CE2 4.47Å; H42-Y51 VanDerWaalsContact CB-OH 3.28Å; H42-Y51 WeakPolarHBondContact CB-OH 3.28Å; H42-H59 AromaticContact CD2-CE1 4Å; H42-H59 AromaticContact CE1-CE1 3.37Å; H42-H59 PolarHBondContact CE1-CE1 3.18Å; H42-H59 AromaticContact CE1-NE2 3.65Å; H42-H59 AromaticContact ND1-CE1 3.77Å; H42-H59 AromaticContact NE2-CE1 3.52Å |
| 43 | E | 53.5 | Low | 71.6 | Confident | 144 Ų | 144 | 80.8 Ų | 80.8 | 67% | 0.673 | 43% | 0.428 | S | S | * | . | trans | -63.9 | 92.7 | 176.5 | -81.3 | 171 | -162.8 | 0 | 0 | 109.9 | S40 | S40-E43 WeakPolarHBondContact CA-OE1 3.42Å; S40-E43 WeakPolarHBondContact CB-OE1 3.13Å; S40-E43 PolarHBondContact O-N 2.82Å | ||
| 44 | N | 54.1 | Low | 71.5 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 35% | 0.348 | 42% | 0.416 | S | S | . | . | trans | -79.6 | 121.5 | 168.8 | -172.1 | -12.4 | 0 | 0 | 0 | 108.1 | H42 L46 S47 C61 | H42-N44 VanDerWaalsContact C-N 3.33Å; H42-N44 PolarHBondContact O-N 2.97Å; N44-L46 PolarHBondContact O-N 2.65Å; N44-L46 WeakPolarHBondContact OD1-CB 3.4Å; N44-L46 WeakPolarHBondContact OD1-CG 3.39Å; N44-L46 PolarHBondContact OD1-N 2.83Å; N44-S47 PolarHBondContact O-N 2.7Å; N44-C61 PolarHBondContact ND2-SG 2.81Å | ||
| 45 | L | 53.1 | Low | 71.7 | Confident | 170 Ų | 170 | 80 Ų | 80 | 89% | 0.89 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -18.4 | 173.3 | -77 | 150.6 | 0 | 0 | 0 | 113.8 | ||
| 46 | L | 55.1 | Low | 71.9 | Confident | 150 Ų | 150 | 85 Ų | 85 | 79% | 0.785 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -13.6 | -169.6 | -62.3 | 172.3 | 0 | 0 | 0 | 115.3 | N44 | N44-L46 PolarHBondContact O-N 2.65Å; N44-L46 WeakPolarHBondContact OD1-CB 3.4Å; N44-L46 WeakPolarHBondContact OD1-CG 3.39Å; N44-L46 PolarHBondContact OD1-N 2.83Å |
| 47 | S | 58.4 | Low | 72.2 | Confident | 29 Ų | 29 | 81.2 Ų | 81.2 | 20% | 0.203 | 44% | 0.436 | C | S | . | . | trans | -154.3 | 103 | -179.5 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | N44 Q49 C61 | N44-S47 PolarHBondContact O-N 2.7Å; S47-Q49 VanDerWaalsContact C-N 3.26Å; S47-Q49 PolarHBondContact O-N 3.32Å; S47-C61 VanDerWaalsContact CB-O 3.27Å; S47-C61 WeakPolarHBondContact CB-O 3.39Å; S47-C61 PolarHBondContact OG-O 3.21Å | ||
| 48 | N | 63.7 | Low | 72.6 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -90.9 | 19.9 | 180 | -54.7 | -6.7 | 0 | 0 | 0 | 112.1 | L35 | L35-N48 VanDerWaalsContact CD2-C 3.4Å; L35-N48 WeakPolarHBondContact CD2-O 3.15Å |
| 49 | Q | 77.9 | Confident | 73.1 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -124.4 | -39.7 | -169 | -66.6 | -173.8 | -18.6 | 0 | 0 | 114.2 | H15 S47 | H15-Q49 PolarHBondContact CD2-OE1 3.38Å; H15-Q49 PolarHBondContact NE2-OE1 3.05Å; H15-Q49 VanDerWaalsContact NE2-OE1 3.16Å; S47-Q49 VanDerWaalsContact C-N 3.26Å; S47-Q49 PolarHBondContact O-N 3.32Å |
| 50 | V | 87.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 144.4 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | Y8 I9 H15 L19 P63 I66 | Y8-V50 WeakPolarHBondContact O-CA 3.43Å; I9-V50 HydrophobicContact CG2-CB 4.38Å; I9-V50 HydrophobicContact CG2-CG1 3.9Å; H15-V50 HydrophobicContact CB-CG1 3.61Å; L19-V50 HydrophobicContact CD1-CB 4.09Å; L19-V50 HydrophobicContact CD1-CG1 3.98Å; L19-V50 HydrophobicContact CD1-CG2 4.21Å; V50-P63 HydrophobicContact CG2-CB 4.38Å; V50-P63 HydrophobicContact CG2-CG 3.76Å; V50-I66 HydrophobicContact CB-CD1 4.4Å; V50-I66 HydrophobicContact CG2-CD1 3.85Å |
| 51 | Y | 89 | Confident | 75.6 | Confident | 22 Ų | 22 | 75.4 Ų | 75.4 | 9% | 0.086 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 134.7 | 176.2 | -167.4 | -102.7 | 0 | 0 | 0 | 110.5 | L7 Y8 V38 H42 V53 H59 C61 | L7-Y51 CarbonylContact C-O 3.56Å; Y8-Y51 HydrophobicContact CD2-CD1 4.03Å; Y8-Y51 PolarHBondContact N-O 3.09Å; Y8-Y51 PolarHBondContact O-N 3.39Å; V38-Y51 HydrophobicContact CG1-CD1 4.1Å; V38-Y51 HydrophobicContact CG1-CE1 4.26Å; V38-Y51 HydrophobicContact CG2-CD1 4.07Å; V38-Y51 HydrophobicContact CG2-CG 4.39Å; H42-Y51 HydrophobicContact CB-CE1 4.2Å; H42-Y51 HydrophobicContact CB-CE2 4.47Å; H42-Y51 VanDerWaalsContact CB-OH 3.28Å; H42-Y51 WeakPolarHBondContact CB-OH 3.28Å; Y51-V53 HydrophobicContact CD1-CG2 3.86Å; Y51-V53 HydrophobicContact CE1-CG2 3.44Å; Y51-V53 VanDerWaalsContact CE1-CG2 3.44Å; Y51-H59 AromaticContact CE1-ND1 3.75Å; Y51-H59 AromaticContact CZ-ND1 3.59Å; Y51-H59 WeakPolarHBondContact OH-CB 3.45Å; Y51-H59 VanDerWaalsContact OH-CG 3.29Å; Y51-H59 PolarHBondContact OH-ND1 3.26Å; Y51-C61 HydrophobicContact CD2-CB 3.94Å; Y51-C61 HydrophobicContact CE2-CB 4.24Å |
| 52 | F | 89.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.7 | -179.3 | 175.1 | -98.8 | 0 | 0 | 0 | 110.9 | V3 T6 L7 L30 H59 L60 I66 Y69 | V3-F52 HydrophobicContact CG1-CZ 4.45Å; T6-F52 WeakPolarHBondContact O-CA 3.36Å; T6-F52 WeakPolarHBondContact O-CD2 3.35Å; L7-F52 HydrophobicContact CB-CD2 4.32Å; L7-F52 HydrophobicContact CD1-CB 4.19Å; L30-F52 HydrophobicContact CD2-CD2 4.41Å; L30-F52 HydrophobicContact CD2-CE2 3.72Å; F52-H59 WeakPolarHBondContact O-CA 3.2Å; F52-L60 HydrophobicContact CB-CB 4.38Å; F52-L60 HydrophobicContact CD1-CB 4.46Å; F52-L60 HydrophobicContact CD1-CD1 4.27Å; F52-L60 PolarHBondContact N-O 3.15Å; F52-L60 PolarHBondContact O-N 2.86Å; F52-I66 HydrophobicContact CB-CD1 3.84Å; F52-I66 HydrophobicContact CB-CG1 3.81Å; F52-I66 HydrophobicContact CB-CG2 4.11Å; F52-I66 HydrophobicContact CG-CG2 4.36Å; F52-Y69 HydrophobicContact CD1-CD1 4.33Å; F52-Y69 HydrophobicContact CD1-CE1 4.44Å; F52-Y69 AromaticContact CE1-CD1 3.64Å; F52-Y69 HydrophobicContact CE1-CD1 3.64Å; F52-Y69 AromaticContact CE1-CE1 3.41Å; F52-Y69 HydrophobicContact CE1-CE1 3.41Å; F52-Y69 VanDerWaalsContact CE1-CE1 3.41Å; F52-Y69 HydrophobicContact CZ-CD1 4.13Å; F52-Y69 AromaticContact CZ-CE1 3.82Å; F52-Y69 HydrophobicContact CZ-CE1 3.82Å |
| 53 | V | 90 | Very high | 79 | Confident | 30 Ų | 30 | 69.3 Ų | 69.3 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.5 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | G5 T6 Y8 Y51 Q58 | G5-V53 CarbonylContact C-O 3.56Å; G5-V53 WeakPolarHBondContact CA-O 3.2Å; T6-V53 PolarHBondContact N-O 3.36Å; T6-V53 PolarHBondContact O-N 3.1Å; Y8-V53 HydrophobicContact CD2-CG2 4.37Å; Y8-V53 HydrophobicContact CE2-CB 4.27Å; Y8-V53 HydrophobicContact CE2-CG2 3.78Å; Y51-V53 HydrophobicContact CD1-CG2 3.86Å; Y51-V53 HydrophobicContact CE1-CG2 3.44Å; Y51-V53 VanDerWaalsContact CE1-CG2 3.44Å; V53-Q58 CarbonylContact C-O 3.53Å; V53-Q58 WeakPolarHBondContact CA-O 3.48Å |
| 54 | S | 89.8 | Confident | 80.8 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 162.4 | 176.2 | 83.6 | 0 | 0 | 0 | 0 | 111.4 | S4 K56 G57 Q58 | S4-S54 CarbonylContact O-C 3.52Å; S4-S54 WeakPolarHBondContact O-CA 3.39Å; S54-K56 PolarHBondContact O-N 3.38Å; S54-K56 PolarHBondContact OG-N 3.13Å; S54-G57 PolarHBondContact O-N 3.38Å; S54-Q58 PolarHBondContact N-O 3.27Å; S54-Q58 WeakPolarHBondContact OG-CB 3.25Å; S54-Q58 PolarHBondContact OG-N 3.29Å; S54-Q58 VanDerWaalsContact OG-N 3.12Å |
| 55 | S | 88.8 | Confident | 82.6 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 60% | 0.601 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.2 | 172.3 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | S4 | S4-S55 PolarHBondContact O-N 3.31Å; S4-S55 PolarHBondContact O-OG 3.32Å; S4-S55 WeakPolarHBondContact OG-CB 3.29Å; S4-S55 PolarHBondContact OG-OG 2.78Å |
| 56 | K | 88.7 | Confident | 84.5 | Confident | 144 Ų | 144 | 54 Ų | 54 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 6.2 | 174.9 | -60.8 | -176.5 | 179.5 | -179 | 0 | 113.3 | M1 S54 Q58 | M1-K56 PolarHBondContact SD-NZ 2.94Å; M1-K56 VanDerWaalsContact SD-NZ 3.4Å; S54-K56 PolarHBondContact O-N 3.38Å; S54-K56 PolarHBondContact OG-N 3.13Å; K56-Q58 VanDerWaalsContact C-N 3.34Å; K56-Q58 HydrophobicContact CB-CG 4.33Å |
| 57 | G | 87.5 | Confident | 86.3 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 71.2 | 26.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S54 H59 | S54-G57 PolarHBondContact O-N 3.38Å; G57-H59 PolarHBondContact O-CD2 2.9Å; G57-H59 PolarHBondContact O-NE2 3.1Å; G57-H59 VanDerWaalsContact O-NE2 3.13Å |
| 58 | Q | 88.3 | Confident | 87.9 | Confident | 106 Ų | 106 | 47.3 Ų | 47.3 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | trans | -91.9 | 144.9 | 172.8 | -56.5 | 173.9 | -65.3 | 0 | 0 | 109.7 | V53 S54 K56 | V53-Q58 CarbonylContact C-O 3.53Å; V53-Q58 WeakPolarHBondContact CA-O 3.48Å; S54-Q58 PolarHBondContact N-O 3.27Å; S54-Q58 WeakPolarHBondContact OG-CB 3.25Å; S54-Q58 PolarHBondContact OG-N 3.29Å; S54-Q58 VanDerWaalsContact OG-N 3.12Å; K56-Q58 VanDerWaalsContact C-N 3.34Å; K56-Q58 HydrophobicContact CB-CG 4.33Å | ||
| 59 | H | 87.8 | Confident | 89.1 | Confident | 77 Ų | 77 | 45.1 Ų | 45.1 | 36% | 0.356 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.2 | -168.3 | -58.1 | -97.1 | 0 | 0 | 0 | 111.6 | H42 Y51 F52 G57 | H42-H59 AromaticContact CD2-CE1 4Å; H42-H59 AromaticContact CE1-CE1 3.37Å; H42-H59 PolarHBondContact CE1-CE1 3.18Å; H42-H59 AromaticContact CE1-NE2 3.65Å; H42-H59 AromaticContact ND1-CE1 3.77Å; H42-H59 AromaticContact NE2-CE1 3.52Å; Y51-H59 AromaticContact CE1-ND1 3.75Å; Y51-H59 AromaticContact CZ-ND1 3.59Å; Y51-H59 WeakPolarHBondContact OH-CB 3.45Å; Y51-H59 VanDerWaalsContact OH-CG 3.29Å; Y51-H59 PolarHBondContact OH-ND1 3.26Å; F52-H59 WeakPolarHBondContact O-CA 3.2Å; G57-H59 PolarHBondContact O-CD2 2.9Å; G57-H59 PolarHBondContact O-NE2 3.1Å; G57-H59 VanDerWaalsContact O-NE2 3.13Å |
| 60 | L | 89.4 | Confident | 89.7 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.6 | 172.2 | -66 | 172.9 | 0 | 0 | 0 | 109.8 | F52 A65 I66 Y69 | F52-L60 HydrophobicContact CB-CB 4.38Å; F52-L60 HydrophobicContact CD1-CB 4.46Å; F52-L60 HydrophobicContact CD1-CD1 4.27Å; F52-L60 PolarHBondContact N-O 3.15Å; F52-L60 PolarHBondContact O-N 2.86Å; L60-A65 HydrophobicContact CD2-CB 4.29Å; L60-I66 HydrophobicContact CB-CD1 4.43Å; L60-I66 HydrophobicContact CB-CG1 3.6Å; L60-I66 HydrophobicContact CD1-CG1 4.37Å; L60-Y69 HydrophobicContact CD1-CD1 4.2Å; L60-Y69 HydrophobicContact CD1-CD2 4.35Å; L60-Y69 HydrophobicContact CD1-CG 3.83Å |
| 61 | C | 87.3 | Confident | 89.6 | Confident | 33 Ų | 33 | 41 Ų | 41 | 22% | 0.223 | 23% | 0.23 | C | C | . | . | trans | -128.8 | -6.4 | -177.8 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | N44 S47 Y51 | N44-C61 PolarHBondContact ND2-SG 2.81Å; S47-C61 VanDerWaalsContact CB-O 3.27Å; S47-C61 WeakPolarHBondContact CB-O 3.39Å; S47-C61 PolarHBondContact OG-O 3.21Å; Y51-C61 HydrophobicContact CD2-CB 3.94Å; Y51-C61 HydrophobicContact CE2-CB 4.24Å | ||
| 62 | S | 88.1 | Confident | 88.8 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | trans | -92.5 | 128.8 | 175.6 | 165.5 | 0 | 0 | 0 | 0 | 109.9 | N64 A65 I66 | S62-N64 VanDerWaalsContact C-N 3.3Å; S62-N64 PolarHBondContact O-N 3.45Å; S62-A65 PolarHBondContact O-N 3.04Å; S62-I66 VanDerWaalsContact O-CG1 3.3Å; S62-I66 WeakPolarHBondContact O-CG1 3.48Å; S62-I66 PolarHBondContact O-N 3.4Å | ||
| 63 | P | 91.2 | Very high | 87.3 | Confident | 18 Ų | 18 | 43 Ų | 43 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.1 | -45.7 | 176.5 | -26.4 | 32.2 | 0 | 0 | 0 | 113.3 | H15 L19 V50 I66 A67 | H15-P63 HydrophobicContact CB-CG 4.47Å; H15-P63 WeakPolarHBondContact ND1-CG 3.23Å; L19-P63 WeakPolarHBondContact CD2-O 3.36Å; V50-P63 HydrophobicContact CG2-CB 4.38Å; V50-P63 HydrophobicContact CG2-CG 3.76Å; P63-I66 PolarHBondContact O-N 2.74Å; P63-A67 WeakPolarHBondContact O-CB 3.49Å; P63-A67 PolarHBondContact O-N 3.04Å |
| 64 | N | 92.5 | Very high | 85.8 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.9 | -34.4 | -178 | -70.1 | -13 | 0 | 0 | 0 | 112.7 | S62 I66 A67 L68 L90 D94 | S62-N64 VanDerWaalsContact C-N 3.3Å; S62-N64 PolarHBondContact O-N 3.45Å; N64-I66 VanDerWaalsContact C-N 3.34Å; N64-A67 PolarHBondContact O-N 2.68Å; N64-L68 WeakPolarHBondContact O-CB 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.33Å; N64-L68 PolarHBondContact O-N 2.79Å; N64-L90 HydrophobicContact CB-CB 4.4Å; N64-L90 HydrophobicContact CB-CD1 4.3Å; N64-L90 PolarHBondContact ND2-O 3.36Å; N64-D94 PolarHBondContact ND2-OD2 2.9Å; N64-D94 PolarHBondContact OD1-OD2 3.26Å |
| 65 | A | 91.3 | Very high | 84.4 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L60 S62 Y69 | L60-A65 HydrophobicContact CD2-CB 4.29Å; S62-A65 PolarHBondContact O-N 3.04Å; A65-Y69 WeakPolarHBondContact O-CB 3.24Å; A65-Y69 PolarHBondContact O-N 2.89Å |
| 66 | I | 92.1 | Very high | 83 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 174.1 | -62.2 | 162.8 | 0 | 0 | 0 | 109.5 | L7 L19 V50 F52 L60 S62 P63 N64 L68 Y69 L70 | L7-I66 HydrophobicContact CD1-CD1 4.37Å; L7-I66 HydrophobicContact CD1-CG2 4.27Å; L19-I66 HydrophobicContact CD1-CB 4.32Å; L19-I66 HydrophobicContact CD1-CD1 4.27Å; L19-I66 HydrophobicContact CD1-CG2 4.02Å; L19-I66 HydrophobicContact CD2-CB 3.93Å; L19-I66 HydrophobicContact CD2-CG2 3.8Å; L19-I66 HydrophobicContact CG-CG2 4.49Å; V50-I66 HydrophobicContact CB-CD1 4.4Å; V50-I66 HydrophobicContact CG2-CD1 3.85Å; F52-I66 HydrophobicContact CB-CD1 3.84Å; F52-I66 HydrophobicContact CB-CG1 3.81Å; F52-I66 HydrophobicContact CB-CG2 4.11Å; F52-I66 HydrophobicContact CG-CG2 4.36Å; L60-I66 HydrophobicContact CB-CD1 4.43Å; L60-I66 HydrophobicContact CB-CG1 3.6Å; L60-I66 HydrophobicContact CD1-CG1 4.37Å; S62-I66 VanDerWaalsContact O-CG1 3.3Å; S62-I66 WeakPolarHBondContact O-CG1 3.48Å; S62-I66 PolarHBondContact O-N 3.4Å; P63-I66 PolarHBondContact O-N 2.74Å; N64-I66 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 3.27Å; I66-Y69 WeakPolarHBondContact O-CB 3.42Å; I66-Y69 PolarHBondContact O-N 2.74Å; I66-Y69 VanDerWaalsContact O-N 3.12Å; I66-L70 HydrophobicContact CG2-CD1 3.73Å; I66-L70 HydrophobicContact CG2-CG 4.06Å; I66-L70 WeakPolarHBondContact O-CG 3.31Å; I66-L70 PolarHBondContact O-N 3.38Å |
| 67 | A | 93.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.1 | -47 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L19 V22 P63 N64 Y69 L70 S71 V150 V154 | L19-A67 HydrophobicContact CD2-CB 3.95Å; V22-A67 HydrophobicContact CG1-CB 4.32Å; V22-A67 WeakPolarHBondContact CG1-O 3.14Å; V22-A67 HydrophobicContact CG2-CB 4.28Å; P63-A67 WeakPolarHBondContact O-CB 3.49Å; P63-A67 PolarHBondContact O-N 3.04Å; N64-A67 PolarHBondContact O-N 2.68Å; A67-Y69 PolarHBondContact O-N 3.12Å; A67-L70 PolarHBondContact O-N 3.25Å; A67-S71 WeakPolarHBondContact O-CB 3.42Å; A67-S71 PolarHBondContact O-N 3.36Å; A67-S71 PolarHBondContact O-OG 2.82Å; A67-V150 HydrophobicContact CB-CG2 3.93Å; A67-V154 HydrophobicContact CB-CG2 4.45Å |
| 68 | L | 91.7 | Very high | 80.8 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.199 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 175.1 | -76.4 | 169.9 | 0 | 0 | 0 | 111.7 | N64 I66 L70 S71 V86 V87 L90 V150 | N64-L68 WeakPolarHBondContact O-CB 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.33Å; N64-L68 PolarHBondContact O-N 2.79Å; I66-L68 PolarHBondContact O-N 3.27Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 3.44Å; L68-S71 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-OG 3.21Å; L68-V86 HydrophobicContact CD2-CG1 3.73Å; L68-V87 HydrophobicContact CD1-CG2 4.05Å; L68-V87 HydrophobicContact CD2-CG2 4.48Å; L68-L90 HydrophobicContact CD1-CD1 3.85Å; L68-L90 HydrophobicContact CD2-CD1 3.55Å; L68-L90 HydrophobicContact CG-CD1 3.45Å; L68-L90 VanDerWaalsContact CG-CD1 3.45Å; L68-V150 HydrophobicContact CD2-CG1 4.27Å |
| 69 | Y | 90.3 | Very high | 80.5 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 178.8 | -173.1 | -104.7 | 0 | 0 | 0 | 112.4 | V3 F52 L60 A65 I66 A67 | V3-Y69 HydrophobicContact CG1-CD1 3.73Å; V3-Y69 HydrophobicContact CG1-CE1 3.47Å; V3-Y69 VanDerWaalsContact CG1-CE1 3.47Å; V3-Y69 WeakPolarHBondContact CG2-O 3.5Å; F52-Y69 HydrophobicContact CD1-CD1 4.33Å; F52-Y69 HydrophobicContact CD1-CE1 4.44Å; F52-Y69 AromaticContact CE1-CD1 3.64Å; F52-Y69 HydrophobicContact CE1-CD1 3.64Å; F52-Y69 AromaticContact CE1-CE1 3.41Å; F52-Y69 HydrophobicContact CE1-CE1 3.41Å; F52-Y69 VanDerWaalsContact CE1-CE1 3.41Å; F52-Y69 HydrophobicContact CZ-CD1 4.13Å; F52-Y69 AromaticContact CZ-CE1 3.82Å; F52-Y69 HydrophobicContact CZ-CE1 3.82Å; L60-Y69 HydrophobicContact CD1-CD1 4.2Å; L60-Y69 HydrophobicContact CD1-CD2 4.35Å; L60-Y69 HydrophobicContact CD1-CG 3.83Å; A65-Y69 WeakPolarHBondContact O-CB 3.24Å; A65-Y69 PolarHBondContact O-N 2.89Å; I66-Y69 WeakPolarHBondContact O-CB 3.42Å; I66-Y69 PolarHBondContact O-N 2.74Å; I66-Y69 VanDerWaalsContact O-N 3.12Å; A67-Y69 PolarHBondContact O-N 3.12Å |
| 70 | L | 90.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.3 | -34.9 | 177.2 | -62.9 | 175 | 0 | 0 | 0 | 112.9 | V3 L19 V22 A23 S26 V28 L30 I66 A67 L68 N72 | V3-L70 HydrophobicContact CG1-CD2 3.84Å; L19-L70 HydrophobicContact CD2-CD1 4.41Å; V22-L70 HydrophobicContact CG1-CB 4.02Å; A23-L70 HydrophobicContact CB-CD1 4.34Å; S26-L70 WeakPolarHBondContact CB-O 3.36Å; V28-L70 HydrophobicContact CG1-CD2 4.07Å; V28-L70 WeakPolarHBondContact CG2-O 3.29Å; L30-L70 HydrophobicContact CD1-CD1 3.71Å; L30-L70 HydrophobicContact CD1-CD2 3.79Å; L30-L70 HydrophobicContact CD1-CG 4.4Å; L30-L70 HydrophobicContact CD2-CD2 3.64Å; L30-L70 HydrophobicContact CG-CD2 4.07Å; I66-L70 HydrophobicContact CG2-CD1 3.73Å; I66-L70 HydrophobicContact CG2-CG 4.06Å; I66-L70 WeakPolarHBondContact O-CG 3.31Å; I66-L70 PolarHBondContact O-N 3.38Å; A67-L70 PolarHBondContact O-N 3.25Å; L68-L70 VanDerWaalsContact C-N 3.31Å; L68-L70 PolarHBondContact O-N 3.44Å; L70-N72 PolarHBondContact O-N 2.89Å |
| 71 | S | 85 | Confident | 80.3 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -70.2 | -7 | -164 | 64.6 | 0 | 0 | 0 | 0 | 116.3 | S26 A67 L68 A73 | S26-S71 WeakPolarHBondContact OG-CA 3.43Å; S26-S71 PolarHBondContact OG-O 3.28Å; A67-S71 WeakPolarHBondContact O-CB 3.42Å; A67-S71 PolarHBondContact O-N 3.36Å; A67-S71 PolarHBondContact O-OG 2.82Å; L68-S71 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-OG 3.21Å; S71-A73 PolarHBondContact O-N 2.96Å; S71-A73 WeakPolarHBondContact OG-CB 3.43Å; S71-A73 PolarHBondContact OG-N 3.03Å; S71-A73 VanDerWaalsContact OG-N 3.11Å |
| 72 | N | 72.5 | Confident | 80.4 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | trans | 53.1 | 9.5 | -162.2 | -62.7 | -39.6 | 0 | 0 | 0 | 113.7 | L70 M74 T75 A76 | L70-N72 PolarHBondContact O-N 2.89Å; N72-M74 PolarHBondContact O-N 3.41Å; N72-M74 VanDerWaalsContact O-N 3.15Å; N72-T75 CarbonylContact O-C 3.55Å; N72-T75 WeakPolarHBondContact O-CA 3.34Å; N72-T75 PolarHBondContact O-N 3.44Å; N72-T75 PolarHBondContact O-OG1 3.35Å; N72-A76 WeakPolarHBondContact O-CB 3.42Å; N72-A76 PolarHBondContact O-N 3.41Å | ||
| 73 | A | 58.5 | Low | 80.5 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.9 | -37 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S71 T75 L77 V150 | S71-A73 PolarHBondContact O-N 2.96Å; S71-A73 WeakPolarHBondContact OG-CB 3.43Å; S71-A73 PolarHBondContact OG-N 3.03Å; S71-A73 VanDerWaalsContact OG-N 3.11Å; A73-T75 PolarHBondContact O-N 3.24Å; A73-L77 HydrophobicContact CB-CD1 4.43Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 PolarHBondContact O-N 3.06Å; A73-V150 HydrophobicContact CB-CG1 4.17Å |
| 74 | M | 58.7 | Low | 80.5 | Confident | 148 Ų | 148 | 66.2 Ų | 66.2 | 73% | 0.729 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.9 | -14.3 | 176 | -67.2 | -118.9 | -84.4 | 0 | 0 | 114.1 | N72 V83 | N72-M74 PolarHBondContact O-N 3.41Å; N72-M74 VanDerWaalsContact O-N 3.15Å; M74-V83 HydrophobicContact CG-CG1 4.37Å; M74-V83 HydrophobicContact SD-CG1 4.31Å |
| 75 | T | 59.5 | Low | 80.5 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -117.3 | -24.6 | -179.9 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | N72 A73 | N72-T75 CarbonylContact O-C 3.55Å; N72-T75 WeakPolarHBondContact O-CA 3.34Å; N72-T75 PolarHBondContact O-N 3.44Å; N72-T75 PolarHBondContact O-OG1 3.35Å; A73-T75 PolarHBondContact O-N 3.24Å |
| 76 | A | 58.8 | Low | 80.7 | Confident | 70 Ų | 70 | 65 Ų | 65 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -84.2 | -31.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N72 K78 | N72-A76 WeakPolarHBondContact O-CB 3.42Å; N72-A76 PolarHBondContact O-N 3.41Å; A76-K78 PolarHBondContact O-N 2.78Å |
| 77 | L | 62.6 | Low | 80.8 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 19% | 0.194 | 36% | 0.355 | C | S | . | . | trans | -86.1 | 107.6 | 176.7 | -62 | 170.7 | 0 | 0 | 0 | 108.2 | A73 D79 H82 V83 V86 | A73-L77 HydrophobicContact CB-CD1 4.43Å; A73-L77 WeakPolarHBondContact O-CB 3.48Å; A73-L77 PolarHBondContact O-N 3.06Å; L77-D79 PolarHBondContact O-N 3.39Å; L77-H82 HydrophobicContact CB-CB 4.2Å; L77-H82 HydrophobicContact CD1-CB 3.95Å; L77-H82 HydrophobicContact CD2-CB 3.99Å; L77-H82 HydrophobicContact CG-CB 4.26Å; L77-V83 HydrophobicContact CB-CG2 3.76Å; L77-V83 HydrophobicContact CD1-CG2 4.1Å; L77-V86 HydrophobicContact CD1-CG2 3.72Å | ||
| 78 | K | 68.1 | Low | 80.9 | Confident | 220 Ų | 220 | 73.6 Ų | 73.6 | 96% | 0.957 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -65.5 | -20.7 | 175.2 | -67.9 | -174.9 | 177.2 | -176.1 | 0 | 112.4 | A76 | A76-K78 PolarHBondContact O-N 2.78Š|
| 79 | D | 81.4 | Confident | 81.2 | Confident | 76 Ų | 76 | 72.2 Ų | 72.2 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -100.3 | 121.3 | -179.6 | -168.6 | -16.8 | 0 | 0 | 0 | 109.9 | L77 F81 H82 V83 | L77-D79 PolarHBondContact O-N 3.39Å; D79-F81 PolarHBondContact O-N 2.99Å; D79-F81 VanDerWaalsContact OD1-CB 3.28Å; D79-F81 WeakPolarHBondContact OD1-CB 3.31Å; D79-F81 PolarHBondContact OD1-N 3.16Å; D79-H82 HydrophobicContact CB-CB 4.32Å; D79-H82 PolarHBondContact O-N 3.13Å; D79-V83 PolarHBondContact O-N 3.13Å |
| 80 | Q | 83.9 | Confident | 81.4 | Confident | 169 Ų | 169 | 68.4 Ų | 68.4 | 79% | 0.79 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.5 | -29.8 | 176.2 | -69 | -176.4 | -12.4 | 0 | 0 | 111.7 | V83 V84 | Q80-V83 WeakPolarHBondContact O-CB 3.31Å; Q80-V83 PolarHBondContact O-N 3.46Å; Q80-V84 PolarHBondContact O-N 2.95Å |
| 81 | F | 89.6 | Confident | 81.8 | Confident | 132 Ų | 132 | 73 Ų | 73 | 58% | 0.579 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 177.6 | -168.2 | -94.3 | 0 | 0 | 0 | 111.5 | D79 V83 V84 E85 | D79-F81 PolarHBondContact O-N 2.99Å; D79-F81 VanDerWaalsContact OD1-CB 3.28Å; D79-F81 WeakPolarHBondContact OD1-CB 3.31Å; D79-F81 PolarHBondContact OD1-N 3.16Å; F81-V83 PolarHBondContact O-N 3.32Å; F81-V84 WeakPolarHBondContact O-CA 3.08Å; F81-V84 WeakPolarHBondContact O-CB 3.26Å; F81-V84 PolarHBondContact O-N 2.77Å; F81-E85 HydrophobicContact CD1-CG 3.88Å; F81-E85 HydrophobicContact CE1-CG 3.62Å; F81-E85 HydrophobicContact CZ-CG 4.43Å; F81-E85 PolarHBondContact O-N 3.06Å |
| 82 | H | 90.5 | Very high | 82.4 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.9 | -32.9 | 175.9 | -69.6 | 166.2 | 0 | 0 | 0 | 112.4 | L77 D79 V84 E85 V86 V144 | L77-H82 HydrophobicContact CB-CB 4.2Å; L77-H82 HydrophobicContact CD1-CB 3.95Å; L77-H82 HydrophobicContact CD2-CB 3.99Å; L77-H82 HydrophobicContact CG-CB 4.26Å; D79-H82 HydrophobicContact CB-CB 4.32Å; D79-H82 PolarHBondContact O-N 3.13Å; H82-V84 VanDerWaalsContact C-N 3.3Å; H82-V84 PolarHBondContact O-N 3.43Å; H82-E85 IonicContact CD2-OE2 3.19Å; H82-E85 PolarHBondContact CD2-OE2 3.32Å; H82-E85 PolarHBondContact O-N 3.14Å; H82-V86 WeakPolarHBondContact O-CG2 3.11Å; H82-V86 PolarHBondContact O-N 2.76Å; H82-V144 HydrophobicContact CB-CG1 3.65Å |
| 83 | V | 88.3 | Confident | 83.6 | Confident | 27 Ų | 27 | 71 Ų | 71 | 16% | 0.164 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | M74 L77 D79 Q80 F81 V86 V87 | M74-V83 HydrophobicContact CG-CG1 4.37Å; M74-V83 HydrophobicContact SD-CG1 4.31Å; L77-V83 HydrophobicContact CB-CG2 3.76Å; L77-V83 HydrophobicContact CD1-CG2 4.1Å; D79-V83 PolarHBondContact O-N 3.13Å; Q80-V83 WeakPolarHBondContact O-CB 3.31Å; Q80-V83 PolarHBondContact O-N 3.46Å; F81-V83 PolarHBondContact O-N 3.32Å; V83-V86 PolarHBondContact O-N 2.67Å; V83-V87 WeakPolarHBondContact O-CG2 3.42Å; V83-V87 PolarHBondContact O-N 2.56Å |
| 84 | V | 91.7 | Very high | 85.4 | Confident | 96 Ų | 96 | 72.5 Ų | 72.5 | 58% | 0.582 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.3 | -43.2 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | Q80 F81 H82 V86 V87 E88 | Q80-V84 PolarHBondContact O-N 2.95Å; F81-V84 WeakPolarHBondContact O-CA 3.08Å; F81-V84 WeakPolarHBondContact O-CB 3.26Å; F81-V84 PolarHBondContact O-N 2.77Å; H82-V84 VanDerWaalsContact C-N 3.3Å; H82-V84 PolarHBondContact O-N 3.43Å; V84-V86 VanDerWaalsContact C-N 3.27Å; V84-V86 PolarHBondContact O-N 3.16Å; V84-V87 WeakPolarHBondContact O-CA 3.36Å; V84-V87 WeakPolarHBondContact O-CB 3.41Å; V84-V87 PolarHBondContact O-N 2.77Å; V84-E88 PolarHBondContact O-N 3.27Å |
| 85 | E | 93.8 | Very high | 87.2 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 15% | 0.15 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 174.6 | -71.6 | -172.8 | 120.2 | 0 | 0 | 111.7 | F81 H82 V87 E88 W89 V144 | F81-E85 HydrophobicContact CD1-CG 3.88Å; F81-E85 HydrophobicContact CE1-CG 3.62Å; F81-E85 HydrophobicContact CZ-CG 4.43Å; F81-E85 PolarHBondContact O-N 3.06Å; H82-E85 IonicContact CD2-OE2 3.19Å; H82-E85 PolarHBondContact CD2-OE2 3.32Å; H82-E85 PolarHBondContact O-N 3.14Å; E85-V87 VanDerWaalsContact C-N 3.33Å; E85-V87 PolarHBondContact O-N 3.21Å; E85-E88 WeakPolarHBondContact O-CB 3.31Å; E85-E88 PolarHBondContact O-N 3.4Å; E85-W89 PolarHBondContact O-N 2.94Å; E85-V144 HydrophobicContact CB-CG1 4.13Å; E85-V144 HydrophobicContact CB-CG2 3.91Å |
| 86 | V | 94 | Very high | 89 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 173.5 | 168 | 0 | 0 | 0 | 0 | 110.9 | L68 L77 H82 V83 V84 E88 W89 L90 V144 V150 A151 | L68-V86 HydrophobicContact CD2-CG1 3.73Å; L77-V86 HydrophobicContact CD1-CG2 3.72Å; H82-V86 WeakPolarHBondContact O-CG2 3.11Å; H82-V86 PolarHBondContact O-N 2.76Å; V83-V86 PolarHBondContact O-N 2.67Å; V84-V86 VanDerWaalsContact C-N 3.27Å; V84-V86 PolarHBondContact O-N 3.16Å; V86-E88 VanDerWaalsContact C-N 3.33Å; V86-E88 PolarHBondContact O-N 3.5Å; V86-W89 PolarHBondContact O-N 3.09Å; V86-L90 HydrophobicContact CG1-CD1 4.2Å; V86-L90 HydrophobicContact CG1-CG 4.43Å; V86-L90 VanDerWaalsContact O-CG 3.26Å; V86-L90 WeakPolarHBondContact O-CG 2.93Å; V86-L90 PolarHBondContact O-N 2.9Å; V86-V144 HydrophobicContact CG2-CB 4.28Å; V86-V144 HydrophobicContact CG2-CG1 4.16Å; V86-V144 HydrophobicContact CG2-CG2 3.98Å; V86-V150 HydrophobicContact CG1-CG1 3.28Å; V86-A151 HydrophobicContact CG1-CB 4.45Å; V86-A151 HydrophobicContact CG2-CB 4.4Å |
| 87 | V | 94.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L68 V83 V84 E85 L90 N91 | L68-V87 HydrophobicContact CD1-CG2 4.05Å; L68-V87 HydrophobicContact CD2-CG2 4.48Å; V83-V87 WeakPolarHBondContact O-CG2 3.42Å; V83-V87 PolarHBondContact O-N 2.56Å; V84-V87 WeakPolarHBondContact O-CA 3.36Å; V84-V87 WeakPolarHBondContact O-CB 3.41Å; V84-V87 PolarHBondContact O-N 2.77Å; E85-V87 VanDerWaalsContact C-N 3.33Å; E85-V87 PolarHBondContact O-N 3.21Å; V87-L90 PolarHBondContact O-N 2.68Å; V87-N91 PolarHBondContact O-N 2.99Å |
| 88 | E | 96.2 | Very high | 92.5 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -50.6 | 174.9 | 179.4 | -178.2 | -163.6 | 0 | 0 | 111.1 | V84 E85 V86 L90 N91 I92 | V84-E88 PolarHBondContact O-N 3.27Å; E85-E88 WeakPolarHBondContact O-CB 3.31Å; E85-E88 PolarHBondContact O-N 3.4Å; V86-E88 VanDerWaalsContact C-N 3.33Å; V86-E88 PolarHBondContact O-N 3.5Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 2.72Å; E88-N91 WeakPolarHBondContact O-CB 3.22Å; E88-N91 PolarHBondContact O-N 3.39Å; E88-N91 VanDerWaalsContact O-N 3.14Å; E88-I92 HydrophobicContact CG-CD1 3.79Å; E88-I92 HydrophobicContact CG-CG1 4.46Å; E88-I92 WeakPolarHBondContact O-CG1 3.41Å; E88-I92 PolarHBondContact O-N 3.42Å |
| 89 | W | 97.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 3% | 0.034 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | 178.7 | -81.6 | 110.2 | 0 | 0 | 0 | 113.6 | E85 V86 N91 I92 A93 W132 L133 L136 L143 A151 L155 | E85-W89 PolarHBondContact O-N 2.94Å; V86-W89 PolarHBondContact O-N 3.09Å; W89-N91 VanDerWaalsContact C-N 3.31Å; W89-I92 HydrophobicContact CE3-CB 4.44Å; W89-I92 HydrophobicContact CE3-CD1 4.42Å; W89-I92 HydrophobicContact CE3-CG2 4.25Å; W89-I92 HydrophobicContact CZ3-CG2 4.2Å; W89-I92 PolarHBondContact O-N 2.99Å; W89-A93 WeakPolarHBondContact O-CB 3.18Å; W89-A93 PolarHBondContact O-N 3.28Å; W89-W132 AromaticContact CH2-CH2 3.34Å; W89-W132 HydrophobicContact CH2-CH2 3.34Å; W89-W132 HydrophobicContact CH2-CZ2 4.34Å; W89-W132 AromaticContact CH2-CZ3 3.64Å; W89-W132 HydrophobicContact CH2-CZ3 3.64Å; W89-W132 HydrophobicContact CZ2-CH2 4.15Å; W89-W132 AromaticContact CZ3-CH2 3.83Å; W89-W132 HydrophobicContact CZ3-CH2 3.83Å; W89-W132 AromaticContact CZ3-CZ3 3.82Å; W89-W132 HydrophobicContact CZ3-CZ3 3.82Å; W89-L133 HydrophobicContact CH2-CD1 3.84Å; W89-L133 HydrophobicContact CZ3-CD1 4.02Å; W89-L136 HydrophobicContact CH2-CD2 3.52Å; W89-L136 HydrophobicContact CZ2-CD2 3.32Å; W89-L143 HydrophobicContact CD2-CB 4.21Å; W89-L143 HydrophobicContact CD2-CD1 3.93Å; W89-L143 HydrophobicContact CD2-CD2 4.07Å; W89-L143 HydrophobicContact CD2-CG 4.3Å; W89-L143 HydrophobicContact CE3-CD1 4.02Å; W89-L143 HydrophobicContact CE3-CD2 4.08Å; W89-L143 HydrophobicContact CG-CB 4.24Å; W89-L143 HydrophobicContact CG-CD1 4.13Å; W89-L143 HydrophobicContact CH2-CD2 3.83Å; W89-L143 HydrophobicContact CZ2-CD2 3.84Å; W89-L143 HydrophobicContact CZ3-CD2 3.95Å; W89-A151 HydrophobicContact CB-CB 3.53Å; W89-A151 HydrophobicContact CG-CB 4.12Å; W89-L155 HydrophobicContact CE3-CD2 4.16Å; W89-L155 HydrophobicContact CZ3-CD2 4.11Å |
| 90 | L | 96.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 174 | -69.3 | 177.9 | 0 | 0 | 0 | 111.5 | N64 L68 V86 V87 E88 D94 V154 | N64-L90 HydrophobicContact CB-CB 4.4Å; N64-L90 HydrophobicContact CB-CD1 4.3Å; N64-L90 PolarHBondContact ND2-O 3.36Å; L68-L90 HydrophobicContact CD1-CD1 3.85Å; L68-L90 HydrophobicContact CD2-CD1 3.55Å; L68-L90 HydrophobicContact CG-CD1 3.45Å; L68-L90 VanDerWaalsContact CG-CD1 3.45Å; V86-L90 HydrophobicContact CG1-CD1 4.2Å; V86-L90 HydrophobicContact CG1-CG 4.43Å; V86-L90 VanDerWaalsContact O-CG 3.26Å; V86-L90 WeakPolarHBondContact O-CG 2.93Å; V86-L90 PolarHBondContact O-N 2.9Å; V87-L90 PolarHBondContact O-N 2.68Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 2.72Å; L90-D94 PolarHBondContact O-N 2.9Å; L90-V154 HydrophobicContact CD2-CB 3.5Å; L90-V154 HydrophobicContact CD2-CG1 3.66Å; L90-V154 HydrophobicContact CD2-CG2 3.48Å; L90-V154 VanDerWaalsContact CD2-CG2 3.48Å |
| 91 | N | 97 | Very high | 95.4 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.7 | -52.5 | 175 | -173.4 | 66.8 | 0 | 0 | 0 | 111.1 | V87 E88 W89 A93 D94 T95 | V87-N91 PolarHBondContact O-N 2.99Å; E88-N91 WeakPolarHBondContact O-CB 3.22Å; E88-N91 PolarHBondContact O-N 3.39Å; E88-N91 VanDerWaalsContact O-N 3.14Å; W89-N91 VanDerWaalsContact C-N 3.31Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.05Å; N91-D94 PolarHBondContact O-N 3.34Å; N91-D94 VanDerWaalsContact O-N 3.1Å; N91-T95 PolarHBondContact O-N 2.98Å; N91-T95 PolarHBondContact O-OG1 3.4Å; N91-T95 VanDerWaalsContact O-OG1 3.06Å |
| 92 | I | 98.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.7 | -43.3 | 177.3 | -69.3 | 170.6 | 0 | 0 | 0 | 111.1 | E88 W89 D94 E96 F97 W132 | E88-I92 HydrophobicContact CG-CD1 3.79Å; E88-I92 HydrophobicContact CG-CG1 4.46Å; E88-I92 WeakPolarHBondContact O-CG1 3.41Å; E88-I92 PolarHBondContact O-N 3.42Å; W89-I92 HydrophobicContact CE3-CB 4.44Å; W89-I92 HydrophobicContact CE3-CD1 4.42Å; W89-I92 HydrophobicContact CE3-CG2 4.25Å; W89-I92 HydrophobicContact CZ3-CG2 4.2Å; W89-I92 PolarHBondContact O-N 2.99Å; I92-D94 VanDerWaalsContact C-N 3.3Å; I92-D94 PolarHBondContact O-N 3.38Å; I92-E96 HydrophobicContact CG2-CB 4.17Å; I92-E96 HydrophobicContact CG2-CG 4.14Å; I92-E96 WeakPolarHBondContact O-CA 3.45Å; I92-E96 VanDerWaalsContact O-CB 3.22Å; I92-E96 WeakPolarHBondContact O-CB 3.48Å; I92-E96 PolarHBondContact O-N 3.46Å; I92-F97 HydrophobicContact CG2-CD2 3.91Å; I92-F97 HydrophobicContact CG2-CE2 3.71Å; I92-F97 PolarHBondContact O-N 3.48Å; I92-W132 HydrophobicContact CD1-CH2 4.38Å |
| 93 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -59.5 | -40.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W89 N91 L98 V154 L155 N158 | W89-A93 WeakPolarHBondContact O-CB 3.18Å; W89-A93 PolarHBondContact O-N 3.28Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.05Å; A93-L98 WeakPolarHBondContact O-CB 3.36Å; A93-L98 PolarHBondContact O-N 2.87Å; A93-V154 HydrophobicContact CB-CG1 4.12Å; A93-L155 HydrophobicContact CB-CB 4.21Å; A93-L155 HydrophobicContact CB-CD1 3.83Å; A93-N158 PolarHBondContact O-ND2 3.43Å |
| 94 | D | 95.7 | Very high | 96.5 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -90.6 | -26.6 | -175.4 | -77.1 | -7.5 | 0 | 0 | 0 | 113.7 | K18 N64 L90 N91 I92 P99 N158 | K18-D94 IonicContact NZ-OD1 3.72Å; K18-D94 PolarHBondContact NZ-OD1 3.16Å; N64-D94 PolarHBondContact ND2-OD2 2.9Å; N64-D94 PolarHBondContact OD1-OD2 3.26Å; L90-D94 PolarHBondContact O-N 2.9Å; N91-D94 PolarHBondContact O-N 3.34Å; N91-D94 VanDerWaalsContact O-N 3.1Å; I92-D94 VanDerWaalsContact C-N 3.3Å; I92-D94 PolarHBondContact O-N 3.38Å; D94-P99 VanDerWaalsContact O-CD 3.29Å; D94-P99 WeakPolarHBondContact O-CD 3.43Å; D94-P99 WeakPolarHBondContact O-CG 3.47Å; D94-N158 PolarHBondContact OD1-ND2 2.8Å |
| 95 | T | 96.9 | Very high | 96.8 | Very high | 61 Ų | 61 | 36.4 Ų | 36.4 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -94.3 | -38.3 | 179.5 | 64.2 | 0 | 0 | 0 | 0 | 113 | N91 P99 | N91-T95 PolarHBondContact O-N 2.98Å; N91-T95 PolarHBondContact O-OG1 3.4Å; N91-T95 VanDerWaalsContact O-OG1 3.06Å; T95-P99 WeakPolarHBondContact O-CG 3.42Å |
| 96 | E | 97 | Very high | 96.9 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -93.8 | -54.1 | -175.3 | -57.6 | -54.3 | 138.2 | 0 | 0 | 110.9 | I92 H100 Q129 | I92-E96 HydrophobicContact CG2-CB 4.17Å; I92-E96 HydrophobicContact CG2-CG 4.14Å; I92-E96 WeakPolarHBondContact O-CA 3.45Å; I92-E96 VanDerWaalsContact O-CB 3.22Å; I92-E96 WeakPolarHBondContact O-CB 3.48Å; I92-E96 PolarHBondContact O-N 3.46Å; E96-H100 PolarHBondContact O-CE1 2.63Å; E96-H100 PolarHBondContact O-ND1 3.11Å; E96-Q129 VanDerWaalsContact O-CD 3.28Å; E96-Q129 PolarHBondContact O-NE2 3.19Å; E96-Q129 PolarHBondContact O-OE1 2.77Å; E96-Q129 VanDerWaalsContact O-OE1 3.05Å; E96-Q129 PolarHBondContact OE2-NE2 2.96Å |
| 97 | F | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -84.7 | -53.6 | -170.3 | -73.2 | -88.4 | 0 | 0 | 0 | 113.4 | I92 H100 V101 L126 Q129 L130 W132 L133 L155 L159 | I92-F97 HydrophobicContact CG2-CD2 3.91Å; I92-F97 HydrophobicContact CG2-CE2 3.71Å; I92-F97 PolarHBondContact O-N 3.48Å; F97-H100 PolarHBondContact O-N 3.48Å; F97-V101 WeakPolarHBondContact O-CG2 3.48Å; F97-V101 PolarHBondContact O-N 2.79Å; F97-L126 HydrophobicContact CD1-CD1 4.01Å; F97-Q129 HydrophobicContact CD1-CB 4.18Å; F97-Q129 HydrophobicContact CE1-CB 3.63Å; F97-Q129 HydrophobicContact CZ-CB 3.85Å; F97-L130 HydrophobicContact CE1-CD2 4.28Å; F97-W132 HydrophobicContact CE2-CZ3 4.41Å; F97-L133 HydrophobicContact CE1-CD2 4.25Å; F97-L133 HydrophobicContact CZ-CB 4.16Å; F97-L133 HydrophobicContact CZ-CD2 4.03Å; F97-L155 HydrophobicContact CB-CD1 4.08Å; F97-L155 HydrophobicContact CD1-CD1 4.4Å; F97-L155 HydrophobicContact CD2-CD1 3.61Å; F97-L155 HydrophobicContact CE2-CD1 4.1Å; F97-L155 HydrophobicContact CG-CD1 3.76Å; F97-L159 HydrophobicContact CD1-CD2 3.75Å; F97-L159 HydrophobicContact CD1-CG 4.46Å; F97-L159 HydrophobicContact CE1-CD2 4.42Å; F97-L159 HydrophobicContact CG-CD2 4.5Å |
| 98 | L | 97.6 | Very high | 97 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.2 | -43.5 | -170.5 | -172.9 | 63 | 0 | 0 | 0 | 113.7 | F14 A93 H100 V101 L102 N158 | F14-L98 HydrophobicContact CE1-CD1 3.85Å; F14-L98 HydrophobicContact CE1-CD2 4.08Å; F14-L98 HydrophobicContact CZ-CD1 3.73Å; A93-L98 WeakPolarHBondContact O-CB 3.36Å; A93-L98 PolarHBondContact O-N 2.87Å; L98-H100 PolarHBondContact O-N 2.68Å; L98-V101 PolarHBondContact O-N 2.71Å; L98-L102 HydrophobicContact CD1-CD1 3.86Å; L98-L102 HydrophobicContact CD1-CD2 4.24Å; L98-L102 HydrophobicContact CD1-CG 3.81Å; L98-L102 HydrophobicContact CD2-CD1 4.47Å; L98-L102 HydrophobicContact CG-CD1 3.85Å; L98-L102 HydrophobicContact CG-CG 4.15Å; L98-L102 WeakPolarHBondContact O-CB 3.2Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.22Å; L98-N158 HydrophobicContact CB-CB 4.3Å; L98-N158 HydrophobicContact CD1-CB 4.06Å |
| 99 | P | 97.5 | Very high | 96.8 | Very high | 54 Ų | 54 | 32.5 Ų | 32.5 | 35% | 0.351 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.4 | -41.3 | -178.3 | -24.5 | 37.5 | 0 | 0 | 0 | 112.6 | D94 T95 T103 | D94-P99 VanDerWaalsContact O-CD 3.29Å; D94-P99 WeakPolarHBondContact O-CD 3.43Å; D94-P99 WeakPolarHBondContact O-CG 3.47Å; T95-P99 WeakPolarHBondContact O-CG 3.42Å; P99-T103 VanDerWaalsContact O-CB 3.23Å; P99-T103 WeakPolarHBondContact O-CB 3.43Å; P99-T103 PolarHBondContact O-N 2.98Å; P99-T103 PolarHBondContact O-OG1 3.41Å |
| 100 | H | 98.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 32.3 Ų | 32.3 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.5 | -39.9 | 178.2 | -56.5 | 125.6 | 0 | 0 | 0 | 111.9 | E96 F97 L98 T103 W104 A122 L126 Q129 | E96-H100 PolarHBondContact O-CE1 2.63Å; E96-H100 PolarHBondContact O-ND1 3.11Å; F97-H100 PolarHBondContact O-N 3.48Å; L98-H100 PolarHBondContact O-N 2.68Å; H100-T103 PolarHBondContact O-N 3.01Å; H100-W104 PolarHBondContact O-N 3.3Å; H100-W104 VanDerWaalsContact O-N 3.11Å; H100-A122 HydrophobicContact CB-CB 4.29Å; H100-L126 HydrophobicContact CB-CB 4.04Å; H100-Q129 PolarHBondContact CE1-NE2 2.91Å; H100-Q129 PolarHBondContact ND1-NE2 3.15Å; H100-Q129 PolarHBondContact ND1-OE1 3.39Å; H100-Q129 VanDerWaalsContact ND1-OE1 3.09Å |
| 101 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -51.2 | 173.3 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | F97 L98 W104 V105 L126 N158 L159 P161 A162 | F97-V101 WeakPolarHBondContact O-CG2 3.48Å; F97-V101 PolarHBondContact O-N 2.79Å; L98-V101 PolarHBondContact O-N 2.71Å; V101-W104 PolarHBondContact O-N 3.04Å; V101-V105 HydrophobicContact CG1-CG2 4.07Å; V101-V105 VanDerWaalsContact O-CB 3.29Å; V101-V105 WeakPolarHBondContact O-CB 3.08Å; V101-V105 VanDerWaalsContact O-CG2 3.24Å; V101-V105 WeakPolarHBondContact O-CG2 3.36Å; V101-V105 PolarHBondContact O-N 3.47Å; V101-L126 HydrophobicContact CG2-CD1 3.87Å; V101-L126 HydrophobicContact CG2-CD2 3.92Å; V101-N158 WeakPolarHBondContact CG1-O 3.27Å; V101-L159 HydrophobicContact CG2-CD2 4.05Å; V101-P161 HydrophobicContact CG1-CB 4.07Å; V101-P161 HydrophobicContact CG1-CG 4.42Å; V101-A162 HydrophobicContact CG1-CB 4Å; V101-A162 HydrophobicContact CG2-CB 4.14Å |
| 102 | L | 96.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 26% | 0.262 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.4 | -38.1 | -177.7 | -67.1 | -176 | 0 | 0 | 0 | 112.5 | L98 W104 L106 | L98-L102 HydrophobicContact CD1-CD1 3.86Å; L98-L102 HydrophobicContact CD1-CD2 4.24Å; L98-L102 HydrophobicContact CD1-CG 3.81Å; L98-L102 HydrophobicContact CD2-CD1 4.47Å; L98-L102 HydrophobicContact CG-CD1 3.85Å; L98-L102 HydrophobicContact CG-CG 4.15Å; L98-L102 WeakPolarHBondContact O-CB 3.2Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.22Å; L102-W104 PolarHBondContact O-N 3.42Å; L102-L106 HydrophobicContact CB-CD1 3.9Å; L102-L106 HydrophobicContact CB-CG 4.32Å; L102-L106 HydrophobicContact CD2-CD1 4.08Å; L102-L106 HydrophobicContact CD2-CG 4.2Å; L102-L106 HydrophobicContact CG-CD1 4.4Å; L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.1Å; L102-L106 WeakPolarHBondContact O-CG 3.16Å; L102-L106 PolarHBondContact O-N 3.29Å |
| 103 | T | 97.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -33.3 | 177.1 | -61.4 | 0 | 0 | 0 | 0 | 112 | P99 H100 P107 K118 A122 | P99-T103 VanDerWaalsContact O-CB 3.23Å; P99-T103 WeakPolarHBondContact O-CB 3.43Å; P99-T103 PolarHBondContact O-N 2.98Å; P99-T103 PolarHBondContact O-OG1 3.41Å; H100-T103 PolarHBondContact O-N 3.01Å; T103-P107 VanDerWaalsContact O-CD 3.23Å; T103-P107 WeakPolarHBondContact O-CD 3.46Å; T103-P107 WeakPolarHBondContact O-CG 3.13Å; T103-K118 HydrophobicContact CG2-CB 4.19Å; T103-A122 HydrophobicContact CG2-CB 3.71Å |
| 104 | W | 97.2 | Very high | 95.3 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -83.7 | -50 | 175.7 | -174.4 | 2.5 | 0 | 0 | 0 | 112.2 | H100 V101 L102 C108 I119 K123 L126 V166 L167 | H100-W104 PolarHBondContact O-N 3.3Å; H100-W104 VanDerWaalsContact O-N 3.11Å; V101-W104 PolarHBondContact O-N 3.04Å; L102-W104 PolarHBondContact O-N 3.42Å; W104-C108 PolarHBondContact O-SG 2.88Å; W104-C108 VanDerWaalsContact O-SG 3.34Å; W104-I119 HydrophobicContact CG-CG2 4.5Å; W104-K123 HydrophobicContact CD2-CD 4.42Å; W104-K123 HydrophobicContact CD2-CG 3.48Å; W104-K123 VanDerWaalsContact CD2-CG 3.48Å; W104-K123 VanDerWaalsContact CE2-CE 3.48Å; W104-K123 HydrophobicContact CE3-CB 4.4Å; W104-K123 HydrophobicContact CE3-CG 3.65Å; W104-K123 HydrophobicContact CG-CG 4.04Å; W104-K123 HydrophobicContact CH2-CG 4Å; W104-K123 HydrophobicContact CZ2-CD 4.18Å; W104-K123 HydrophobicContact CZ2-CG 3.83Å; W104-K123 HydrophobicContact CZ3-CB 4.47Å; W104-K123 HydrophobicContact CZ3-CG 3.91Å; W104-K123 VanDerWaalsContact NE1-CE 3.29Å; W104-L126 HydrophobicContact CE3-CD2 3.79Å; W104-L126 HydrophobicContact CZ3-CD2 3.97Å; W104-V166 HydrophobicContact CD2-CB 4.08Å; W104-V166 HydrophobicContact CD2-CG1 4.45Å; W104-V166 HydrophobicContact CD2-CG2 3.78Å; W104-V166 HydrophobicContact CE3-CG2 3.97Å; W104-V166 HydrophobicContact CG-CG1 4.39Å; W104-V166 HydrophobicContact CG-CG2 4.28Å; W104-V166 HydrophobicContact CH2-CB 4.34Å; W104-V166 HydrophobicContact CH2-CG2 4.22Å; W104-V166 HydrophobicContact CZ2-CB 3.75Å; W104-V166 HydrophobicContact CZ2-CG2 4.05Å; W104-V166 HydrophobicContact CZ3-CG2 4.18Å; W104-L167 HydrophobicContact CH2-CD2 4.24Å; W104-L167 HydrophobicContact CZ3-CD2 4.25Å |
| 105 | V | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72 | -43.3 | -170.4 | 173.1 | 0 | 0 | 0 | 0 | 112.9 | V101 C108 L109 P161 H165 V166 | V101-V105 HydrophobicContact CG1-CG2 4.07Å; V101-V105 VanDerWaalsContact O-CB 3.29Å; V101-V105 WeakPolarHBondContact O-CB 3.08Å; V101-V105 VanDerWaalsContact O-CG2 3.24Å; V101-V105 WeakPolarHBondContact O-CG2 3.36Å; V101-V105 PolarHBondContact O-N 3.47Å; V105-C108 CarbonylContact O-C 3.45Å; V105-C108 WeakPolarHBondContact O-CA 3.35Å; V105-C108 WeakPolarHBondContact O-CB 3.37Å; V105-C108 PolarHBondContact O-N 3.21Å; V105-L109 HydrophobicContact CG1-CD1 3.77Å; V105-L109 HydrophobicContact CG1-CG 4.06Å; V105-L109 WeakPolarHBondContact O-CG 3.17Å; V105-L109 PolarHBondContact O-N 3.06Å; V105-P161 HydrophobicContact CB-CB 4.46Å; V105-P161 HydrophobicContact CG1-CB 3.98Å; V105-P161 HydrophobicContact CG2-CB 4.26Å; V105-H165 HydrophobicContact CG1-CB 4.04Å; V105-V166 HydrophobicContact CG2-CG1 4Å; V105-V166 HydrophobicContact CG2-CG2 3.69Å |
| 106 | L | 95.9 | Very high | 95 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | -171.6 | -66.4 | 177.8 | 0 | 0 | 0 | 113.2 | L102 L109 S110 V111 M112 | L102-L106 HydrophobicContact CB-CD1 3.9Å; L102-L106 HydrophobicContact CB-CG 4.32Å; L102-L106 HydrophobicContact CD2-CD1 4.08Å; L102-L106 HydrophobicContact CD2-CG 4.2Å; L102-L106 HydrophobicContact CG-CD1 4.4Å; L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.1Å; L102-L106 WeakPolarHBondContact O-CG 3.16Å; L102-L106 PolarHBondContact O-N 3.29Å; L106-L109 PolarHBondContact O-N 2.96Å; L106-S110 PolarHBondContact O-N 3.26Å; L106-V111 HydrophobicContact CB-CG2 3.96Å; L106-V111 HydrophobicContact CD2-CG2 3.73Å; L106-V111 HydrophobicContact CG-CG2 4.43Å; L106-V111 WeakPolarHBondContact O-CG2 3.33Å; L106-V111 PolarHBondContact O-N 3.21Å; L106-V111 VanDerWaalsContact O-N 3.16Å; L106-M112 HydrophobicContact CB-CB 4.28Å; L106-M112 HydrophobicContact CB-CE 3.4Å; L106-M112 VanDerWaalsContact CB-CE 3.4Å; L106-M112 HydrophobicContact CB-CG 4.19Å; L106-M112 HydrophobicContact CD1-CE 3.39Å; L106-M112 HydrophobicContact CD1-SD 4.45Å; L106-M112 HydrophobicContact CG-CE 3.97Å; L106-M112 PolarHBondContact O-N 2.97Å |
| 107 | P | 94.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 166.3 | -25.1 | 36.4 | 0 | 0 | 0 | 112.9 | T103 L109 S110 M112 F114 I119 F207 | T103-P107 VanDerWaalsContact O-CD 3.23Å; T103-P107 WeakPolarHBondContact O-CD 3.46Å; T103-P107 WeakPolarHBondContact O-CG 3.13Å; P107-L109 PolarHBondContact O-N 3.2Å; P107-L109 VanDerWaalsContact O-N 3.14Å; P107-S110 WeakPolarHBondContact O-CA 3.41Å; P107-S110 PolarHBondContact O-N 3.4Å; P107-M112 HydrophobicContact CG-CB 4.26Å; P107-F114 HydrophobicContact CB-CD2 4.32Å; P107-I119 HydrophobicContact CB-CD1 3.73Å; P107-I119 HydrophobicContact CG-CD1 3.95Å; P107-I119 HydrophobicContact CG-CG1 4.3Å; P107-F207 WeakPolarHBondContact O-CB 3.5Å; P107-F207 VanDerWaalsContact O-CD2 3.23Å; P107-F207 WeakPolarHBondContact O-CD2 3.38Å |
| 108 | C | 94.7 | Very high | 94.7 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -26.8 | 175.9 | -71.3 | 0 | 0 | 0 | 0 | 113.2 | W104 V105 S110 V166 A205 E206 | W104-C108 PolarHBondContact O-SG 2.88Å; W104-C108 VanDerWaalsContact O-SG 3.34Å; V105-C108 CarbonylContact O-C 3.45Å; V105-C108 WeakPolarHBondContact O-CA 3.35Å; V105-C108 WeakPolarHBondContact O-CB 3.37Å; V105-C108 PolarHBondContact O-N 3.21Å; C108-S110 VanDerWaalsContact C-N 3.32Å; C108-V166 HydrophobicContact CB-CG1 4.07Å; C108-A205 HydrophobicContact CB-CB 3.89Å; C108-A205 VanDerWaalsContact CB-O 3.31Å; C108-A205 WeakPolarHBondContact CB-O 3.12Å; C108-A205 PolarHBondContact SG-O 3.06Å; C108-E206 CarbonylContact O-C 3.58Å; C108-E206 VanDerWaalsContact O-O 3.13Å |
| 109 | L | 93.7 | Very high | 94.6 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 3.4 | 173.3 | -62.9 | -178.7 | 0 | 0 | 0 | 113.9 | V105 L106 P107 V111 H165 A205 | V105-L109 HydrophobicContact CG1-CD1 3.77Å; V105-L109 HydrophobicContact CG1-CG 4.06Å; V105-L109 WeakPolarHBondContact O-CG 3.17Å; V105-L109 PolarHBondContact O-N 3.06Å; L106-L109 PolarHBondContact O-N 2.96Å; P107-L109 PolarHBondContact O-N 3.2Å; P107-L109 VanDerWaalsContact O-N 3.14Å; L109-V111 HydrophobicContact CB-CG2 4.38Å; L109-V111 PolarHBondContact O-N 3.43Å; L109-H165 HydrophobicContact CD2-CB 4.42Å; L109-A205 HydrophobicContact CD2-CB 4.44Å |
| 110 | S | 93.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 31.3 | -179.9 | -47 | 0 | 0 | 0 | 0 | 113.9 | L106 P107 C108 E208 Y212 | L106-S110 PolarHBondContact O-N 3.26Å; P107-S110 WeakPolarHBondContact O-CA 3.41Å; P107-S110 PolarHBondContact O-N 3.4Å; C108-S110 VanDerWaalsContact C-N 3.32Å; S110-E208 PolarHBondContact OG-N 3.31Å; S110-E208 PolarHBondContact OG-O 2.85Å; S110-Y212 VanDerWaalsContact O-CA 3.25Å; S110-Y212 WeakPolarHBondContact O-CA 3.32Å |
| 111 | V | 90.9 | Very high | 94.5 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -108.6 | -5 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | L106 L109 F215 | L106-V111 HydrophobicContact CB-CG2 3.96Å; L106-V111 HydrophobicContact CD2-CG2 3.73Å; L106-V111 HydrophobicContact CG-CG2 4.43Å; L106-V111 WeakPolarHBondContact O-CG2 3.33Å; L106-V111 PolarHBondContact O-N 3.21Å; L106-V111 VanDerWaalsContact O-N 3.16Å; L109-V111 HydrophobicContact CB-CG2 4.38Å; L109-V111 PolarHBondContact O-N 3.43Å; V111-F215 HydrophobicContact CB-CD1 4.14Å; V111-F215 HydrophobicContact CB-CD2 4.34Å; V111-F215 HydrophobicContact CB-CE1 3.89Å; V111-F215 HydrophobicContact CB-CE2 4.09Å; V111-F215 HydrophobicContact CB-CG 4.36Å; V111-F215 HydrophobicContact CB-CZ 3.86Å; V111-F215 HydrophobicContact CG1-CD1 4.48Å; V111-F215 HydrophobicContact CG1-CD2 3.86Å; V111-F215 HydrophobicContact CG1-CE1 4.45Å; V111-F215 HydrophobicContact CG1-CE2 3.83Å; V111-F215 HydrophobicContact CG1-CG 4.19Å; V111-F215 HydrophobicContact CG1-CZ 4.13Å; V111-F215 WeakPolarHBondContact O-CE1 3.32Å |
| 112 | M | 90.2 | Very high | 94.5 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -134.9 | 156.3 | 166.8 | -78.1 | -153.7 | -67.1 | 0 | 0 | 109.8 | L106 P107 | L106-M112 HydrophobicContact CB-CB 4.28Å; L106-M112 HydrophobicContact CB-CE 3.4Å; L106-M112 VanDerWaalsContact CB-CE 3.4Å; L106-M112 HydrophobicContact CB-CG 4.19Å; L106-M112 HydrophobicContact CD1-CE 3.39Å; L106-M112 HydrophobicContact CD1-SD 4.45Å; L106-M112 HydrophobicContact CG-CE 3.97Å; L106-M112 PolarHBondContact O-N 2.97Å; P107-M112 HydrophobicContact CG-CB 4.26Å |
| 113 | E | 89.6 | Confident | 94.5 | Very high | 124 Ų | 124 | 55.5 Ų | 55.5 | 58% | 0.579 | 28% | 0.279 | S | S | * | . | trans | -62.5 | 140.7 | 177.3 | -169.9 | 175 | -158.8 | 0 | 0 | 111.1 | N115 Y212 | E113-N115 PolarHBondContact O-N 3.35Å; E113-Y212 HydrophobicContact CB-CE1 4.14Å; E113-Y212 HydrophobicContact CG-CE1 4.37Å | ||
| 114 | F | 91.1 | Very high | 94.5 | Very high | 88 Ų | 88 | 59.3 Ų | 59.3 | 39% | 0.386 | 29% | 0.294 | S | S | . | . | trans | -78.3 | 116.3 | 176.9 | -176.5 | -89.8 | 0 | 0 | 0 | 111.5 | P107 K116 I119 F207 | P107-F114 HydrophobicContact CB-CD2 4.32Å; F114-K116 HydrophobicContact CE1-CB 3.87Å; F114-K116 HydrophobicContact CE1-CG 4.49Å; F114-K116 HydrophobicContact CZ-CB 4.44Å; F114-I119 HydrophobicContact CD2-CD1 3.28Å; F114-I119 HydrophobicContact CE2-CD1 3.35Å; F114-I119 HydrophobicContact CG-CD1 3.92Å; F114-I119 HydrophobicContact CZ-CD1 4.04Å; F114-F207 HydrophobicContact CB-CB 4.12Å; F114-F207 HydrophobicContact CB-CD1 3.58Å; F114-F207 HydrophobicContact CB-CD2 3.81Å; F114-F207 HydrophobicContact CB-CE1 3.81Å; F114-F207 HydrophobicContact CB-CE2 4.02Å; F114-F207 HydrophobicContact CB-CG 3.57Å; F114-F207 HydrophobicContact CB-CZ 4.02Å; F114-F207 HydrophobicContact CD2-CB 3.66Å; F114-F207 HydrophobicContact CD2-CD1 4.49Å; F114-F207 HydrophobicContact CD2-CG 4.1Å; F114-F207 HydrophobicContact CE2-CB 4.46Å; F114-F207 HydrophobicContact CG-CB 4.18Å; F114-F207 HydrophobicContact CG-CD1 4.16Å; F114-F207 HydrophobicContact CG-CG 4.13Å | ||
| 115 | N | 92.2 | Very high | 94.6 | Very high | 39 Ų | 39 | 62 Ų | 62 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | trans | -119.3 | 104.6 | 171.8 | -176 | -47.4 | 0 | 0 | 0 | 110 | E113 S117 K118 I119 Q329 | E113-N115 PolarHBondContact O-N 3.35Å; N115-S117 VanDerWaalsContact C-N 3.33Å; N115-S117 PolarHBondContact O-N 3.01Å; N115-S117 PolarHBondContact OD1-N 2.87Å; N115-K118 HydrophobicContact CB-CB 4.15Å; N115-K118 HydrophobicContact CB-CD 4.25Å; N115-K118 HydrophobicContact CB-CG 4.3Å; N115-K118 PolarHBondContact O-N 3.47Å; N115-K118 PolarHBondContact OD1-N 3.46Å; N115-K118 VanDerWaalsContact OD1-N 3.08Å; N115-I119 WeakPolarHBondContact O-CB 3.33Å; N115-I119 VanDerWaalsContact O-CG1 3.26Å; N115-I119 WeakPolarHBondContact O-CG1 3.49Å; N115-I119 PolarHBondContact O-N 2.9Å; N115-Q329 PolarHBondContact ND2-NE2 2.83Å | ||
| 116 | K | 93 | Very high | 94.6 | Very high | 130 Ų | 130 | 61.9 Ų | 61.9 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -54.2 | -46 | -175.6 | -171.3 | 175.6 | 179 | 178.7 | 0 | 112.9 | F114 I119 E120 | F114-K116 HydrophobicContact CE1-CB 3.87Å; F114-K116 HydrophobicContact CE1-CG 4.49Å; F114-K116 HydrophobicContact CZ-CB 4.44Å; K116-I119 PolarHBondContact O-N 3.37Å; K116-E120 HydrophobicContact CG-CG 4.3Å; K116-E120 WeakPolarHBondContact O-CB 3.43Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.5Å |
| 117 | S | 94.8 | Very high | 94.7 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 65% | 0.65 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65 | -45 | -177.3 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | N115 D121 | N115-S117 VanDerWaalsContact C-N 3.33Å; N115-S117 PolarHBondContact O-N 3.01Å; N115-S117 PolarHBondContact OD1-N 2.87Å; S117-D121 WeakPolarHBondContact O-CB 3.32Å; S117-D121 PolarHBondContact O-N 2.92Å |
| 118 | K | 94.4 | Very high | 94.9 | Very high | 134 Ų | 134 | 62.4 Ų | 62.4 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.8 | -39 | 177.5 | -69.2 | -174.6 | 177.5 | -175.6 | 0 | 112.2 | T103 N115 A122 | T103-K118 HydrophobicContact CG2-CB 4.19Å; N115-K118 HydrophobicContact CB-CB 4.15Å; N115-K118 HydrophobicContact CB-CD 4.25Å; N115-K118 HydrophobicContact CB-CG 4.3Å; N115-K118 PolarHBondContact O-N 3.47Å; N115-K118 PolarHBondContact OD1-N 3.46Å; N115-K118 VanDerWaalsContact OD1-N 3.08Å; K118-A122 VanDerWaalsContact O-CB 3.27Å; K118-A122 WeakPolarHBondContact O-CB 3.18Å; K118-A122 PolarHBondContact O-N 3.32Å |
| 119 | I | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 179.4 | -69.3 | 166.6 | 0 | 0 | 0 | 110.7 | W104 P107 F114 N115 K116 A122 K123 | W104-I119 HydrophobicContact CG-CG2 4.5Å; P107-I119 HydrophobicContact CB-CD1 3.73Å; P107-I119 HydrophobicContact CG-CD1 3.95Å; P107-I119 HydrophobicContact CG-CG1 4.3Å; F114-I119 HydrophobicContact CD2-CD1 3.28Å; F114-I119 HydrophobicContact CE2-CD1 3.35Å; F114-I119 HydrophobicContact CG-CD1 3.92Å; F114-I119 HydrophobicContact CZ-CD1 4.04Å; N115-I119 WeakPolarHBondContact O-CB 3.33Å; N115-I119 VanDerWaalsContact O-CG1 3.26Å; N115-I119 WeakPolarHBondContact O-CG1 3.49Å; N115-I119 PolarHBondContact O-N 2.9Å; K116-I119 PolarHBondContact O-N 3.37Å; I119-A122 PolarHBondContact O-N 2.98Å; I119-K123 HydrophobicContact CG2-CD 4.21Å; I119-K123 HydrophobicContact CG2-CG 4.46Å; I119-K123 WeakPolarHBondContact O-CB 3.48Å; I119-K123 VanDerWaalsContact O-CG 3.27Å; I119-K123 WeakPolarHBondContact O-CG 3.28Å; I119-K123 PolarHBondContact O-N 2.84Å |
| 120 | E | 96.7 | Very high | 95.3 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 177.8 | -71 | -55.5 | 134.3 | 0 | 0 | 112.4 | K116 K123 Q124 | K116-E120 HydrophobicContact CG-CG 4.3Å; K116-E120 WeakPolarHBondContact O-CB 3.43Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.5Å; E120-K123 PolarHBondContact O-N 3.26Å; E120-K123 IonicContact OE1-NZ 2.74Å; E120-K123 PolarHBondContact OE1-NZ 3.46Å; E120-Q124 WeakPolarHBondContact O-CG 3.15Å; E120-Q124 PolarHBondContact O-N 3.35Å |
| 121 | D | 97 | Very high | 95.5 | Very high | 81 Ų | 81 | 66 Ų | 66 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62 | -50 | 171.5 | 179.1 | 56.6 | 0 | 0 | 0 | 111.2 | S117 K123 Q124 Q125 | S117-D121 WeakPolarHBondContact O-CB 3.32Å; S117-D121 PolarHBondContact O-N 2.92Å; D121-K123 VanDerWaalsContact C-N 3.28Å; D121-K123 PolarHBondContact O-N 2.92Å; D121-Q124 PolarHBondContact O-N 2.84Å; D121-Q125 WeakPolarHBondContact O-CG 3.23Å; D121-Q125 PolarHBondContact O-N 2.84Å |
| 122 | A | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.9 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | H100 T103 K118 I119 L126 | H100-A122 HydrophobicContact CB-CB 4.29Å; T103-A122 HydrophobicContact CG2-CB 3.71Å; K118-A122 VanDerWaalsContact O-CB 3.27Å; K118-A122 WeakPolarHBondContact O-CB 3.18Å; K118-A122 PolarHBondContact O-N 3.32Å; I119-A122 PolarHBondContact O-N 2.98Å; A122-L126 WeakPolarHBondContact O-CB 3.44Å; A122-L126 PolarHBondContact O-N 3.44Å |
| 123 | K | 97.6 | Very high | 96.2 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 173.2 | -78 | 172.3 | -178.7 | 176.1 | 0 | 111.8 | W104 I119 E120 D121 A127 | W104-K123 HydrophobicContact CD2-CD 4.42Å; W104-K123 HydrophobicContact CD2-CG 3.48Å; W104-K123 VanDerWaalsContact CD2-CG 3.48Å; W104-K123 VanDerWaalsContact CE2-CE 3.48Å; W104-K123 HydrophobicContact CE3-CB 4.4Å; W104-K123 HydrophobicContact CE3-CG 3.65Å; W104-K123 HydrophobicContact CG-CG 4.04Å; W104-K123 HydrophobicContact CH2-CG 4Å; W104-K123 HydrophobicContact CZ2-CD 4.18Å; W104-K123 HydrophobicContact CZ2-CG 3.83Å; W104-K123 HydrophobicContact CZ3-CB 4.47Å; W104-K123 HydrophobicContact CZ3-CG 3.91Å; W104-K123 VanDerWaalsContact NE1-CE 3.29Å; I119-K123 HydrophobicContact CG2-CD 4.21Å; I119-K123 HydrophobicContact CG2-CG 4.46Å; I119-K123 WeakPolarHBondContact O-CB 3.48Å; I119-K123 VanDerWaalsContact O-CG 3.27Å; I119-K123 WeakPolarHBondContact O-CG 3.28Å; I119-K123 PolarHBondContact O-N 2.84Å; E120-K123 PolarHBondContact O-N 3.26Å; E120-K123 IonicContact OE1-NZ 2.74Å; E120-K123 PolarHBondContact OE1-NZ 3.46Å; D121-K123 VanDerWaalsContact C-N 3.28Å; D121-K123 PolarHBondContact O-N 2.92Å; K123-A127 WeakPolarHBondContact O-CB 3.25Å; K123-A127 PolarHBondContact O-N 3.07Å |
| 124 | Q | 97.8 | Very high | 96.7 | Very high | 127 Ų | 127 | 61.1 Ų | 61.1 | 59% | 0.593 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 179.7 | -71.4 | 176.9 | 19.9 | 0 | 0 | 111.5 | E120 D121 A127 A128 | E120-Q124 WeakPolarHBondContact O-CG 3.15Å; E120-Q124 PolarHBondContact O-N 3.35Å; D121-Q124 PolarHBondContact O-N 2.84Å; Q124-A127 PolarHBondContact O-N 3.14Å; Q124-A128 PolarHBondContact O-N 3.32Å |
| 125 | Q | 98.2 | Very high | 97 | Very high | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 177.5 | -61.8 | -56.6 | -22.4 | 0 | 0 | 111.5 | D121 A127 A128 Q129 | D121-Q125 WeakPolarHBondContact O-CG 3.23Å; D121-Q125 PolarHBondContact O-N 2.84Å; Q125-A127 VanDerWaalsContact C-N 3.28Å; Q125-A127 PolarHBondContact O-N 2.87Å; Q125-A128 WeakPolarHBondContact O-CB 3.25Å; Q125-A128 PolarHBondContact O-N 2.92Å; Q125-A128 VanDerWaalsContact O-N 3.1Å; Q125-Q129 VanDerWaalsContact O-CG 3.26Å; Q125-Q129 WeakPolarHBondContact O-CG 3.45Å; Q125-Q129 PolarHBondContact O-N 2.88Å |
| 126 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 177.7 | -175.5 | 60.3 | 0 | 0 | 0 | 111.4 | F97 H100 V101 W104 A122 A128 Q129 L130 L159 A162 | F97-L126 HydrophobicContact CD1-CD1 4.01Å; H100-L126 HydrophobicContact CB-CB 4.04Å; V101-L126 HydrophobicContact CG2-CD1 3.87Å; V101-L126 HydrophobicContact CG2-CD2 3.92Å; W104-L126 HydrophobicContact CE3-CD2 3.79Å; W104-L126 HydrophobicContact CZ3-CD2 3.97Å; A122-L126 WeakPolarHBondContact O-CB 3.44Å; A122-L126 PolarHBondContact O-N 3.44Å; L126-A128 PolarHBondContact O-N 3.45Å; L126-Q129 PolarHBondContact O-N 3.26Å; L126-L130 HydrophobicContact CD1-CD1 4.24Å; L126-L130 HydrophobicContact CD1-CG 4.11Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 HydrophobicContact CG-CG 4.24Å; L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 2.84Å; L126-L159 HydrophobicContact CD1-CD2 4.36Å; L126-A162 HydrophobicContact CD2-CB 4.48Å |
| 127 | A | 98.1 | Very high | 97.4 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K123 Q124 Q125 R131 Y175 | K123-A127 WeakPolarHBondContact O-CB 3.25Å; K123-A127 PolarHBondContact O-N 3.07Å; Q124-A127 PolarHBondContact O-N 3.14Å; Q125-A127 VanDerWaalsContact C-N 3.28Å; Q125-A127 PolarHBondContact O-N 2.87Å; A127-R131 VanDerWaalsContact O-CG 3.3Å; A127-R131 WeakPolarHBondContact O-CG 3.45Å; A127-R131 PolarHBondContact O-N 2.83Å; A127-Y175 WeakPolarHBondContact CA-OH 3.31Å; A127-Y175 WeakPolarHBondContact CB-OH 3.46Å |
| 128 | A | 98.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 58.8 Ų | 58.8 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q124 Q125 L126 R131 W132 | Q124-A128 PolarHBondContact O-N 3.32Å; Q125-A128 WeakPolarHBondContact O-CB 3.25Å; Q125-A128 PolarHBondContact O-N 2.92Å; Q125-A128 VanDerWaalsContact O-N 3.1Å; L126-A128 PolarHBondContact O-N 3.45Å; A128-R131 PolarHBondContact O-N 3.14Å; A128-W132 PolarHBondContact O-N 3Å |
| 129 | Q | 98.3 | Very high | 97.5 | Very high | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.8 | -67.9 | 166.9 | -21.6 | 0 | 0 | 112 | E96 F97 H100 Q125 L126 W132 L133 | E96-Q129 VanDerWaalsContact O-CD 3.28Å; E96-Q129 PolarHBondContact O-NE2 3.19Å; E96-Q129 PolarHBondContact O-OE1 2.77Å; E96-Q129 VanDerWaalsContact O-OE1 3.05Å; E96-Q129 PolarHBondContact OE2-NE2 2.96Å; F97-Q129 HydrophobicContact CD1-CB 4.18Å; F97-Q129 HydrophobicContact CE1-CB 3.63Å; F97-Q129 HydrophobicContact CZ-CB 3.85Å; H100-Q129 PolarHBondContact CE1-NE2 2.91Å; H100-Q129 PolarHBondContact ND1-NE2 3.15Å; H100-Q129 PolarHBondContact ND1-OE1 3.39Å; H100-Q129 VanDerWaalsContact ND1-OE1 3.09Å; Q125-Q129 VanDerWaalsContact O-CG 3.26Å; Q125-Q129 WeakPolarHBondContact O-CG 3.45Å; Q125-Q129 PolarHBondContact O-N 2.88Å; L126-Q129 PolarHBondContact O-N 3.26Å; Q129-W132 PolarHBondContact O-N 3.03Å; Q129-L133 WeakPolarHBondContact O-CB 3.25Å; Q129-L133 PolarHBondContact O-N 2.64Å |
| 130 | L | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -36.9 | 175.3 | -71.4 | 173 | 0 | 0 | 0 | 112.1 | F97 L126 N134 L159 L167 Y175 V178 | F97-L130 HydrophobicContact CE1-CD2 4.28Å; L126-L130 HydrophobicContact CD1-CD1 4.24Å; L126-L130 HydrophobicContact CD1-CG 4.11Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 HydrophobicContact CG-CG 4.24Å; L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 2.84Å; L130-N134 WeakPolarHBondContact O-CB 3.37Å; L130-N134 PolarHBondContact O-N 3.29Å; L130-L159 HydrophobicContact CD2-CD1 4.46Å; L130-L159 HydrophobicContact CD2-CD2 4.1Å; L130-L167 HydrophobicContact CD1-CD1 4.03Å; L130-L167 HydrophobicContact CD1-CD2 4.26Å; L130-Y175 HydrophobicContact CB-CD1 3.63Å; L130-Y175 HydrophobicContact CB-CD2 4.2Å; L130-Y175 HydrophobicContact CB-CE1 3.54Å; L130-Y175 HydrophobicContact CB-CE2 4.13Å; L130-Y175 HydrophobicContact CB-CG 3.96Å; L130-Y175 HydrophobicContact CD1-CD2 4.01Å; L130-Y175 HydrophobicContact CD1-CE2 3.81Å; L130-V178 HydrophobicContact CD2-CG1 4.08Å |
| 131 | R | 98.3 | Very high | 97.5 | Very high | 137 Ų | 137 | 59.9 Ų | 59.9 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 172.9 | -73.7 | -177.7 | -162.7 | 115.5 | 3.2 | 111.4 | A127 A128 N134 S135 Y175 | A127-R131 VanDerWaalsContact O-CG 3.3Å; A127-R131 WeakPolarHBondContact O-CG 3.45Å; A127-R131 PolarHBondContact O-N 2.83Å; A128-R131 PolarHBondContact O-N 3.14Å; R131-N134 WeakPolarHBondContact O-CB 3.46Å; R131-N134 PolarHBondContact O-N 2.91Å; R131-S135 PolarHBondContact O-N 3.02Å; R131-S135 VanDerWaalsContact O-N 3.07Å; R131-S135 PolarHBondContact O-OG 3.47Å; R131-Y175 HydrophobicContact CG-CE1 3.74Å |
| 132 | W | 98.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 57.3 Ų | 57.3 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 177.4 | 169.4 | 79.3 | 0 | 0 | 0 | 111.7 | W89 I92 F97 A128 Q129 N134 S135 L136 | W89-W132 AromaticContact CH2-CH2 3.34Å; W89-W132 HydrophobicContact CH2-CH2 3.34Å; W89-W132 HydrophobicContact CH2-CZ2 4.34Å; W89-W132 AromaticContact CH2-CZ3 3.64Å; W89-W132 HydrophobicContact CH2-CZ3 3.64Å; W89-W132 HydrophobicContact CZ2-CH2 4.15Å; W89-W132 AromaticContact CZ3-CH2 3.83Å; W89-W132 HydrophobicContact CZ3-CH2 3.83Å; W89-W132 AromaticContact CZ3-CZ3 3.82Å; W89-W132 HydrophobicContact CZ3-CZ3 3.82Å; I92-W132 HydrophobicContact CD1-CH2 4.38Å; F97-W132 HydrophobicContact CE2-CZ3 4.41Å; A128-W132 PolarHBondContact O-N 3Å; Q129-W132 PolarHBondContact O-N 3.03Å; W132-N134 VanDerWaalsContact C-N 3.28Å; W132-N134 PolarHBondContact O-N 3.08Å; W132-S135 WeakPolarHBondContact O-CB 3.32Å; W132-S135 PolarHBondContact O-N 2.83Å; W132-L136 PolarHBondContact O-N 3.2Å |
| 133 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -38.6 | 176.9 | -176.3 | 62.7 | 0 | 0 | 0 | 111.4 | W89 F97 Q129 S135 L136 M137 L143 L155 L159 V178 W181 | W89-L133 HydrophobicContact CH2-CD1 3.84Å; W89-L133 HydrophobicContact CZ3-CD1 4.02Å; F97-L133 HydrophobicContact CE1-CD2 4.25Å; F97-L133 HydrophobicContact CZ-CB 4.16Å; F97-L133 HydrophobicContact CZ-CD2 4.03Å; Q129-L133 WeakPolarHBondContact O-CB 3.25Å; Q129-L133 PolarHBondContact O-N 2.64Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.19Å; L133-L136 PolarHBondContact O-N 3.39Å; L133-M137 HydrophobicContact CD1-CG 4.02Å; L133-M137 HydrophobicContact CD1-SD 4.36Å; L133-M137 HydrophobicContact CG-CG 4.17Å; L133-M137 WeakPolarHBondContact O-CB 3.42Å; L133-M137 VanDerWaalsContact O-CG 3.3Å; L133-M137 WeakPolarHBondContact O-CG 3.31Å; L133-M137 PolarHBondContact O-N 2.89Å; L133-L143 HydrophobicContact CD1-CD2 3.93Å; L133-L155 HydrophobicContact CD1-CD2 4.34Å; L133-L155 HydrophobicContact CD2-CD2 3.91Å; L133-L159 HydrophobicContact CD2-CD1 4.28Å; L133-V178 HydrophobicContact CB-CG2 4.09Å; L133-V178 HydrophobicContact CD2-CG1 3.92Å; L133-V178 HydrophobicContact CD2-CG2 4.13Å; L133-V178 HydrophobicContact CG-CG2 3.92Å; L133-W181 HydrophobicContact CD2-CZ3 4.43Å |
| 134 | N | 98.3 | Very high | 97.2 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.4 | -169.5 | 68.7 | 0 | 0 | 0 | 112.7 | L130 R131 W132 Y138 Y175 I176 N177 V178 | L130-N134 WeakPolarHBondContact O-CB 3.37Å; L130-N134 PolarHBondContact O-N 3.29Å; R131-N134 WeakPolarHBondContact O-CB 3.46Å; R131-N134 PolarHBondContact O-N 2.91Å; W132-N134 VanDerWaalsContact C-N 3.28Å; W132-N134 PolarHBondContact O-N 3.08Å; N134-Y138 PolarHBondContact O-N 3.21Å; N134-Y175 HydrophobicContact CB-CD1 4.45Å; N134-Y175 VanDerWaalsContact OD1-CA 3.29Å; N134-Y175 WeakPolarHBondContact OD1-CA 3.43Å; N134-I176 PolarHBondContact OD1-N 3.29Å; N134-N177 WeakPolarHBondContact O-CB 3.41Å; N134-N177 PolarHBondContact O-ND2 3.03Å; N134-N177 WeakPolarHBondContact OD1-CA 3.33Å; N134-N177 WeakPolarHBondContact OD1-CB 3.39Å; N134-N177 PolarHBondContact OD1-N 3.37Å; N134-V178 VanDerWaalsContact CA-CG2 3.42Å; N134-V178 HydrophobicContact CB-CG2 3.66Å; N134-V178 PolarHBondContact OD1-N 2.98Å |
| 135 | S | 98 | Very high | 96.7 | Very high | 86 Ų | 86 | 50 Ų | 50 | 60% | 0.601 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 174.3 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | R131 W132 L133 Y138 | R131-S135 PolarHBondContact O-N 3.02Å; R131-S135 VanDerWaalsContact O-N 3.07Å; R131-S135 PolarHBondContact O-OG 3.47Å; W132-S135 WeakPolarHBondContact O-CB 3.32Å; W132-S135 PolarHBondContact O-N 2.83Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.19Å; S135-Y138 VanDerWaalsContact O-CB 3.3Å; S135-Y138 WeakPolarHBondContact O-CB 3.41Å; S135-Y138 PolarHBondContact O-N 3.12Å |
| 136 | L | 96.4 | Very high | 96.3 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 177.7 | -169.5 | 74.6 | 0 | 0 | 0 | 112.4 | W89 W132 L133 Y138 | W89-L136 HydrophobicContact CH2-CD2 3.52Å; W89-L136 HydrophobicContact CZ2-CD2 3.32Å; W132-L136 PolarHBondContact O-N 3.2Å; L133-L136 PolarHBondContact O-N 3.39Å; L136-Y138 PolarHBondContact O-N 3.26Å |
| 137 | M | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7 | -177.7 | -65.6 | -49.2 | -56.6 | 0 | 0 | 113.6 | L133 S139 R140 L143 N177 R180 W181 | L133-M137 HydrophobicContact CD1-CG 4.02Å; L133-M137 HydrophobicContact CD1-SD 4.36Å; L133-M137 HydrophobicContact CG-CG 4.17Å; L133-M137 WeakPolarHBondContact O-CB 3.42Å; L133-M137 VanDerWaalsContact O-CG 3.3Å; L133-M137 WeakPolarHBondContact O-CG 3.31Å; L133-M137 PolarHBondContact O-N 2.89Å; M137-S139 VanDerWaalsContact C-N 3.3Å; M137-S139 PolarHBondContact O-N 3.49Å; M137-R140 HydrophobicContact CE-CB 4.08Å; M137-R140 PolarHBondContact O-N 3.47Å; M137-R140 VanDerWaalsContact O-O 3.05Å; M137-R140 HydrophobicContact SD-CB 4.38Å; M137-L143 HydrophobicContact SD-CD2 3.84Å; M137-N177 HydrophobicContact CB-CB 3.78Å; M137-R180 PolarHBondContact O-NH2 2.96Å; M137-W181 HydrophobicContact CE-CB 3.73Å; M137-W181 HydrophobicContact CE-CD2 4.49Å; M137-W181 HydrophobicContact CE-CG 3.56Å; M137-W181 HydrophobicContact CG-CB 4.43Å; M137-W181 HydrophobicContact SD-CG 4.35Å |
| 138 | Y | 97 | Very high | 95.7 | Very high | 177 Ų | 177 | 60.7 Ų | 60.7 | 69% | 0.694 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -44.3 | 176.9 | 176.7 | -104.4 | 0 | 0 | 0 | 112.2 | N134 S135 L136 N177 | N134-Y138 PolarHBondContact O-N 3.21Å; S135-Y138 VanDerWaalsContact O-CB 3.3Å; S135-Y138 WeakPolarHBondContact O-CB 3.41Å; S135-Y138 PolarHBondContact O-N 3.12Å; L136-Y138 PolarHBondContact O-N 3.26Å; Y138-N177 WeakPolarHBondContact CA-ND2 3.44Å |
| 139 | S | 95.2 | Very high | 95.4 | Very high | 96 Ų | 96 | 59.2 Ų | 59.2 | 67% | 0.671 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -105.6 | 7.1 | -178.2 | 58.4 | 0 | 0 | 0 | 0 | 114.3 | M137 | M137-S139 VanDerWaalsContact C-N 3.3Å; M137-S139 PolarHBondContact O-N 3.49Å |
| 140 | R | 96.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | trans | -122 | 147.7 | -175.5 | -61 | -175.1 | -173.9 | -160 | -1.8 | 112.1 | M137 L143 E146 R180 | M137-R140 HydrophobicContact CE-CB 4.08Å; M137-R140 PolarHBondContact O-N 3.47Å; M137-R140 VanDerWaalsContact O-O 3.05Å; M137-R140 HydrophobicContact SD-CB 4.38Å; R140-L143 PolarHBondContact NH1-O 3.14Å; R140-E146 VanDerWaalsContact CA-OE1 3.22Å; R140-E146 WeakPolarHBondContact CA-OE1 3.48Å; R140-E146 WeakPolarHBondContact CB-OE1 3.43Å; R140-R180 PolarHBondContact O-NH1 3.15Å; R140-R180 PolarHBondContact O-NH2 3.31Å | ||
| 141 | T | 96.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 58.3 Ų | 58.3 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -89.5 | -41.1 | 170.2 | -46.7 | 0 | 0 | 0 | 0 | 111.5 | E146 | T141-E146 WeakPolarHBondContact CB-OE2 3.43Å; T141-E146 PolarHBondContact N-OE1 3.01Å; T141-E146 PolarHBondContact N-OE2 3.45Å; T141-E146 PolarHBondContact OG1-OE2 2.68Å |
| 142 | F | 96.1 | Very high | 95 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -135 | 164.2 | -178.4 | -63.2 | -68 | 0 | 0 | 0 | 109.9 | V144 R147 L148 D152 T184 V185 | F142-V144 PolarHBondContact O-N 2.86Å; F142-R147 WeakPolarHBondContact CB-O 3.4Å; F142-R147 VanDerWaalsContact CG-C 3.49Å; F142-L148 HydrophobicContact CD1-CB 4.02Å; F142-L148 HydrophobicContact CD1-CD1 3.81Å; F142-L148 HydrophobicContact CD2-CB 4.49Å; F142-L148 HydrophobicContact CE1-CB 3.77Å; F142-L148 HydrophobicContact CE1-CD1 3.61Å; F142-L148 HydrophobicContact CE1-CG 4.27Å; F142-L148 HydrophobicContact CE2-CB 4.24Å; F142-L148 HydrophobicContact CG-CB 4.37Å; F142-L148 HydrophobicContact CZ-CB 3.88Å; F142-L148 HydrophobicContact CZ-CD1 4.48Å; F142-D152 WeakPolarHBondContact CA-OD1 3.45Å; F142-D152 WeakPolarHBondContact CB-OD1 3.06Å; F142-T184 HydrophobicContact CE1-CG2 4Å; F142-T184 HydrophobicContact CZ-CG2 4.05Å; F142-V185 HydrophobicContact CE1-CG2 4.41Å |
| 143 | L | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -64.7 | -39.1 | -172.7 | -66 | 172.7 | 0 | 0 | 0 | 113.1 | W89 L133 M137 R140 A151 D152 L155 W181 | W89-L143 HydrophobicContact CD2-CB 4.21Å; W89-L143 HydrophobicContact CD2-CD1 3.93Å; W89-L143 HydrophobicContact CD2-CD2 4.07Å; W89-L143 HydrophobicContact CD2-CG 4.3Å; W89-L143 HydrophobicContact CE3-CD1 4.02Å; W89-L143 HydrophobicContact CE3-CD2 4.08Å; W89-L143 HydrophobicContact CG-CB 4.24Å; W89-L143 HydrophobicContact CG-CD1 4.13Å; W89-L143 HydrophobicContact CH2-CD2 3.83Å; W89-L143 HydrophobicContact CZ2-CD2 3.84Å; W89-L143 HydrophobicContact CZ3-CD2 3.95Å; L133-L143 HydrophobicContact CD1-CD2 3.93Å; M137-L143 HydrophobicContact SD-CD2 3.84Å; R140-L143 PolarHBondContact NH1-O 3.14Å; L143-A151 HydrophobicContact CB-CB 4.48Å; L143-A151 HydrophobicContact CD1-CB 4.09Å; L143-D152 WeakPolarHBondContact CG-OD1 3.47Å; L143-D152 PolarHBondContact N-OD1 3.29Å; L143-L155 HydrophobicContact CD1-CB 4.16Å; L143-L155 HydrophobicContact CD1-CD2 3.78Å; L143-L155 HydrophobicContact CD2-CD2 4.22Å; L143-W181 HydrophobicContact CD1-CZ2 4.05Å; L143-W181 HydrophobicContact CG-CZ2 4.27Å |
| 144 | V | 93.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 127.6 | -172.2 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | H82 E85 V86 F142 E146 R147 A151 | H82-V144 HydrophobicContact CB-CG1 3.65Å; E85-V144 HydrophobicContact CB-CG1 4.13Å; E85-V144 HydrophobicContact CB-CG2 3.91Å; V86-V144 HydrophobicContact CG2-CB 4.28Å; V86-V144 HydrophobicContact CG2-CG1 4.16Å; V86-V144 HydrophobicContact CG2-CG2 3.98Å; F142-V144 PolarHBondContact O-N 2.86Å; V144-E146 PolarHBondContact O-N 3.1Å; V144-R147 PolarHBondContact O-N 3.01Å; V144-A151 HydrophobicContact CG2-CB 4.27Å |
| 145 | G | 87.8 | Confident | 94.9 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 26.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | R147 | G145-R147 PolarHBondContact O-N 2.82Å; G145-R147 VanDerWaalsContact O-N 3.12Å |
| 146 | E | 89.4 | Confident | 94.9 | Very high | 89 Ų | 89 | 40.5 Ų | 40.5 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 28 | -176.5 | -68.9 | -59.4 | 117.8 | 0 | 0 | 114.5 | R140 T141 V144 | R140-E146 VanDerWaalsContact CA-OE1 3.22Å; R140-E146 WeakPolarHBondContact CA-OE1 3.48Å; R140-E146 WeakPolarHBondContact CB-OE1 3.43Å; T141-E146 WeakPolarHBondContact CB-OE2 3.43Å; T141-E146 PolarHBondContact N-OE1 3.01Å; T141-E146 PolarHBondContact N-OE2 3.45Å; T141-E146 PolarHBondContact OG1-OE2 2.68Å; V144-E146 PolarHBondContact O-N 3.1Å |
| 147 | R | 90.3 | Very high | 94.9 | Very high | 190 Ų | 190 | 38.7 Ų | 38.7 | 72% | 0.717 | 19% | 0.19 | S | C | * | . | B | Isolated β-bridge | trans | -135.5 | 144 | 176.6 | -67.3 | -175.9 | 179.9 | -170.5 | -0.7 | 110.8 | F142 V144 G145 S149 | F142-R147 WeakPolarHBondContact CB-O 3.4Å; F142-R147 VanDerWaalsContact CG-C 3.49Å; V144-R147 PolarHBondContact O-N 3.01Å; G145-R147 PolarHBondContact O-N 2.82Å; G145-R147 VanDerWaalsContact O-N 3.12Å; R147-S149 PolarHBondContact O-N 2.85Å |
| 148 | L | 92.6 | Very high | 95 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 22% | 0.22 | 19% | 0.19 | C | C | . | . | trans | -57.4 | 125.7 | 174.7 | -177.4 | 71.5 | 0 | 0 | 0 | 110 | L25 F142 D152 V185 Q188 F190 | L25-L148 HydrophobicContact CD1-CD2 3.68Å; L25-L148 HydrophobicContact CD1-CG 4.33Å; F142-L148 HydrophobicContact CD1-CB 4.02Å; F142-L148 HydrophobicContact CD1-CD1 3.81Å; F142-L148 HydrophobicContact CD2-CB 4.49Å; F142-L148 HydrophobicContact CE1-CB 3.77Å; F142-L148 HydrophobicContact CE1-CD1 3.61Å; F142-L148 HydrophobicContact CE1-CG 4.27Å; F142-L148 HydrophobicContact CE2-CB 4.24Å; F142-L148 HydrophobicContact CG-CB 4.37Å; F142-L148 HydrophobicContact CZ-CB 3.88Å; F142-L148 HydrophobicContact CZ-CD1 4.48Å; L148-D152 HydrophobicContact CD1-CB 3.61Å; L148-V185 HydrophobicContact CD1-CG1 4.21Å; L148-V185 HydrophobicContact CD1-CG2 3.93Å; L148-Q188 HydrophobicContact CD2-CG 4.11Å; L148-F190 HydrophobicContact CD2-CE1 3.5Å; L148-F190 VanDerWaalsContact CD2-CE1 3.5Å; L148-F190 HydrophobicContact CD2-CZ 3.85Å | ||
| 149 | S | 92.3 | Very high | 95 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | trans | -130.9 | 175.1 | -177.3 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | R147 A151 D152 V153 | R147-S149 PolarHBondContact O-N 2.85Å; S149-A151 PolarHBondContact O-N 3.02Å; S149-A151 WeakPolarHBondContact OG-CB 3.44Å; S149-A151 PolarHBondContact OG-N 2.76Å; S149-D152 PolarHBondContact N-OD2 3.32Å; S149-D152 PolarHBondContact O-N 3.39Å; S149-D152 PolarHBondContact OG-OD2 3.33Å; S149-V153 PolarHBondContact O-N 2.87Å | ||
| 150 | V | 94.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.6 | -28.5 | 172.5 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | V22 A67 L68 A73 V86 D152 V153 V154 | V22-V150 HydrophobicContact CB-CG2 4.49Å; V22-V150 HydrophobicContact CG1-CG2 3.79Å; V22-V150 HydrophobicContact CG2-CG2 3.8Å; A67-V150 HydrophobicContact CB-CG2 3.93Å; L68-V150 HydrophobicContact CD2-CG1 4.27Å; A73-V150 HydrophobicContact CB-CG1 4.17Å; V86-V150 HydrophobicContact CG1-CG1 3.28Å; V150-D152 VanDerWaalsContact C-N 3.34Å; V150-D152 PolarHBondContact O-N 2.86Å; V150-V153 PolarHBondContact O-N 3.32Å; V150-V154 HydrophobicContact CG2-CG2 4.06Å; V150-V154 WeakPolarHBondContact O-CB 3.43Å; V150-V154 WeakPolarHBondContact O-CG2 3.44Å; V150-V154 PolarHBondContact O-N 2.63Å |
| 151 | A | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | V86 W89 L143 V144 S149 V153 V154 L155 | V86-A151 HydrophobicContact CG1-CB 4.45Å; V86-A151 HydrophobicContact CG2-CB 4.4Å; W89-A151 HydrophobicContact CB-CB 3.53Å; W89-A151 HydrophobicContact CG-CB 4.12Å; L143-A151 HydrophobicContact CB-CB 4.48Å; L143-A151 HydrophobicContact CD1-CB 4.09Å; V144-A151 HydrophobicContact CG2-CB 4.27Å; S149-A151 PolarHBondContact O-N 3.02Å; S149-A151 WeakPolarHBondContact OG-CB 3.44Å; S149-A151 PolarHBondContact OG-N 2.76Å; A151-V153 PolarHBondContact O-N 2.77Å; A151-V154 PolarHBondContact O-N 2.56Å; A151-L155 WeakPolarHBondContact O-CB 3.36Å; A151-L155 PolarHBondContact O-N 2.78Å |
| 152 | D | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 179.2 | -60.6 | -85.8 | 0 | 0 | 0 | 111.5 | F142 L143 L148 S149 V150 A156 W181 V185 | F142-D152 WeakPolarHBondContact CA-OD1 3.45Å; F142-D152 WeakPolarHBondContact CB-OD1 3.06Å; L143-D152 WeakPolarHBondContact CG-OD1 3.47Å; L143-D152 PolarHBondContact N-OD1 3.29Å; L148-D152 HydrophobicContact CD1-CB 3.61Å; S149-D152 PolarHBondContact N-OD2 3.32Å; S149-D152 PolarHBondContact O-N 3.39Å; S149-D152 PolarHBondContact OG-OD2 3.33Å; V150-D152 VanDerWaalsContact C-N 3.34Å; V150-D152 PolarHBondContact O-N 2.86Å; D152-A156 WeakPolarHBondContact O-CB 3.42Å; D152-A156 PolarHBondContact O-N 3.31Å; D152-W181 HydrophobicContact CB-CZ2 4.36Å; D152-W181 PolarHBondContact OD1-NE1 2.89Å; D152-V185 HydrophobicContact CB-CG2 3.98Å |
| 153 | V | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | -179.5 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | A21 V22 L25 S149 V150 A151 A156 C157 F190 | A21-V153 HydrophobicContact CB-CG1 4Å; V22-V153 HydrophobicContact CG2-CB 4.41Å; V22-V153 HydrophobicContact CG2-CG1 3.88Å; L25-V153 HydrophobicContact CD2-CG2 3.7Å; S149-V153 PolarHBondContact O-N 2.87Å; V150-V153 PolarHBondContact O-N 3.32Å; A151-V153 PolarHBondContact O-N 2.77Å; V153-A156 PolarHBondContact O-N 3.28Å; V153-C157 WeakPolarHBondContact O-CB 3.4Å; V153-C157 PolarHBondContact O-N 3.32Å; V153-C157 PolarHBondContact O-SG 3.49Å; V153-F190 HydrophobicContact CG1-CE2 4.27Å; V153-F190 HydrophobicContact CG2-CE2 3.66Å; V153-F190 HydrophobicContact CG2-CZ 3.63Å |
| 154 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.2 | -44.8 | -177.5 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | K18 V22 A67 L90 A93 V150 A151 C157 N158 | K18-V154 HydrophobicContact CD-CB 4.5Å; K18-V154 HydrophobicContact CD-CG1 4.07Å; K18-V154 HydrophobicContact CD-CG2 4.08Å; K18-V154 HydrophobicContact CG-CG2 4.18Å; V22-V154 HydrophobicContact CG2-CG2 4.37Å; A67-V154 HydrophobicContact CB-CG2 4.45Å; L90-V154 HydrophobicContact CD2-CB 3.5Å; L90-V154 HydrophobicContact CD2-CG1 3.66Å; L90-V154 HydrophobicContact CD2-CG2 3.48Å; L90-V154 VanDerWaalsContact CD2-CG2 3.48Å; A93-V154 HydrophobicContact CB-CG1 4.12Å; V150-V154 HydrophobicContact CG2-CG2 4.06Å; V150-V154 WeakPolarHBondContact O-CB 3.43Å; V150-V154 WeakPolarHBondContact O-CG2 3.44Å; V150-V154 PolarHBondContact O-N 2.63Å; A151-V154 PolarHBondContact O-N 2.56Å; V154-C157 PolarHBondContact O-N 3.41Å; V154-N158 PolarHBondContact O-N 2.91Å; V154-N158 PolarHBondContact O-OD1 2.94Å |
| 155 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 176.9 | -175.6 | 60.9 | 0 | 0 | 0 | 111.4 | W89 A93 F97 L133 L143 A151 C157 N158 L159 W181 | W89-L155 HydrophobicContact CE3-CD2 4.16Å; W89-L155 HydrophobicContact CZ3-CD2 4.11Å; A93-L155 HydrophobicContact CB-CB 4.21Å; A93-L155 HydrophobicContact CB-CD1 3.83Å; F97-L155 HydrophobicContact CB-CD1 4.08Å; F97-L155 HydrophobicContact CD1-CD1 4.4Å; F97-L155 HydrophobicContact CD2-CD1 3.61Å; F97-L155 HydrophobicContact CE2-CD1 4.1Å; F97-L155 HydrophobicContact CG-CD1 3.76Å; L133-L155 HydrophobicContact CD1-CD2 4.34Å; L133-L155 HydrophobicContact CD2-CD2 3.91Å; L143-L155 HydrophobicContact CD1-CB 4.16Å; L143-L155 HydrophobicContact CD1-CD2 3.78Å; L143-L155 HydrophobicContact CD2-CD2 4.22Å; A151-L155 WeakPolarHBondContact O-CB 3.36Å; A151-L155 PolarHBondContact O-N 2.78Å; L155-C157 VanDerWaalsContact C-N 3.34Å; L155-C157 PolarHBondContact O-N 3.08Å; L155-N158 PolarHBondContact O-N 3.27Å; L155-N158 VanDerWaalsContact O-N 3.15Å; L155-L159 HydrophobicContact CD1-CD1 4.24Å; L155-L159 HydrophobicContact CD1-CG 4.37Å; L155-L159 HydrophobicContact CG-CD1 4.08Å; L155-L159 PolarHBondContact O-N 3.04Å; L155-W181 HydrophobicContact CB-CH2 3.87Å; L155-W181 HydrophobicContact CB-CZ2 4.23Å; L155-W181 HydrophobicContact CD2-CH2 3.71Å; L155-W181 HydrophobicContact CD2-CZ2 4.14Å; L155-W181 HydrophobicContact CD2-CZ3 4.38Å; L155-W181 HydrophobicContact CG-CH2 3.65Å; L155-W181 HydrophobicContact CG-CZ2 4.35Å; L155-W181 HydrophobicContact CG-CZ3 4.44Å |
| 156 | A | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D152 V153 N158 L159 L160 W181 F182 V185 V186 | D152-A156 WeakPolarHBondContact O-CB 3.42Å; D152-A156 PolarHBondContact O-N 3.31Å; V153-A156 PolarHBondContact O-N 3.28Å; A156-N158 VanDerWaalsContact C-N 3.31Å; A156-N158 PolarHBondContact O-N 3.16Å; A156-L159 PolarHBondContact O-N 3.48Å; A156-L160 WeakPolarHBondContact O-CB 3.26Å; A156-L160 PolarHBondContact O-N 3.32Å; A156-W181 HydrophobicContact CB-CH2 4.13Å; A156-W181 HydrophobicContact CB-CZ2 4.49Å; A156-F182 HydrophobicContact CB-CD2 4.14Å; A156-F182 HydrophobicContact CB-CE2 4.37Å; A156-F182 WeakPolarHBondContact O-CE2 3.31Å; A156-V185 HydrophobicContact CB-CB 4.12Å; A156-V185 HydrophobicContact CB-CG1 3.63Å; A156-V186 HydrophobicContact CB-CG1 4.35Å |
| 157 | C | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 173.2 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | F14 K18 V153 V154 L155 L160 P161 Y195 | F14-C157 VanDerWaalsContact CE2-O 3.26Å; F14-C157 WeakPolarHBondContact CE2-O 3.41Å; F14-C157 WeakPolarHBondContact CZ-O 3.37Å; K18-C157 HydrophobicContact CB-CB 4.24Å; K18-C157 HydrophobicContact CG-CB 4.03Å; V153-C157 WeakPolarHBondContact O-CB 3.4Å; V153-C157 PolarHBondContact O-N 3.32Å; V153-C157 PolarHBondContact O-SG 3.49Å; V154-C157 PolarHBondContact O-N 3.41Å; L155-C157 VanDerWaalsContact C-N 3.34Å; L155-C157 PolarHBondContact O-N 3.08Å; C157-L160 PolarHBondContact O-N 3.19Å; C157-P161 WeakPolarHBondContact O-CD 3.27Å; C157-Y195 PolarHBondContact SG-OH 3.42Å |
| 158 | N | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.4 | -33.6 | 178.3 | -71.3 | 7.3 | 0 | 0 | 0 | 113.1 | F14 K18 A93 D94 L98 V101 V154 L155 A156 | F14-N158 VanDerWaalsContact CZ-OD1 3.3Å; F14-N158 WeakPolarHBondContact CZ-OD1 3.21Å; K18-N158 WeakPolarHBondContact CE-OD1 3.43Å; K18-N158 PolarHBondContact NZ-OD1 3.12Å; A93-N158 PolarHBondContact O-ND2 3.43Å; D94-N158 PolarHBondContact OD1-ND2 2.8Å; L98-N158 HydrophobicContact CB-CB 4.3Å; L98-N158 HydrophobicContact CD1-CB 4.06Å; V101-N158 WeakPolarHBondContact CG1-O 3.27Å; V154-N158 PolarHBondContact O-N 2.91Å; V154-N158 PolarHBondContact O-OD1 2.94Å; L155-N158 PolarHBondContact O-N 3.27Å; L155-N158 VanDerWaalsContact O-N 3.15Å; A156-N158 VanDerWaalsContact C-N 3.31Å; A156-N158 PolarHBondContact O-N 3.16Å |
| 159 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -84.8 | -20.5 | 177.4 | -72.3 | 173.8 | 0 | 0 | 0 | 113.6 | F97 V101 L126 L130 L133 L155 A156 A162 F163 W181 F182 | F97-L159 HydrophobicContact CD1-CD2 3.75Å; F97-L159 HydrophobicContact CD1-CG 4.46Å; F97-L159 HydrophobicContact CE1-CD2 4.42Å; F97-L159 HydrophobicContact CG-CD2 4.5Å; V101-L159 HydrophobicContact CG2-CD2 4.05Å; L126-L159 HydrophobicContact CD1-CD2 4.36Å; L130-L159 HydrophobicContact CD2-CD1 4.46Å; L130-L159 HydrophobicContact CD2-CD2 4.1Å; L133-L159 HydrophobicContact CD2-CD1 4.28Å; L155-L159 HydrophobicContact CD1-CD1 4.24Å; L155-L159 HydrophobicContact CD1-CG 4.37Å; L155-L159 HydrophobicContact CG-CD1 4.08Å; L155-L159 PolarHBondContact O-N 3.04Å; A156-L159 PolarHBondContact O-N 3.48Å; L159-A162 WeakPolarHBondContact O-CA 3.46Å; L159-A162 WeakPolarHBondContact O-CB 3.42Å; L159-A162 PolarHBondContact O-N 3.39Å; L159-F163 HydrophobicContact CB-CD2 4.13Å; L159-F163 HydrophobicContact CB-CE2 4.17Å; L159-F163 WeakPolarHBondContact O-CD2 3.21Å; L159-F163 PolarHBondContact O-N 3.03Å; L159-F163 VanDerWaalsContact O-N 3.14Å; L159-W181 HydrophobicContact CD1-CH2 4.32Å; L159-W181 HydrophobicContact CD1-CZ3 3.85Å; L159-F182 HydrophobicContact CB-CD2 4.47Å; L159-F182 HydrophobicContact CB-CE2 4.44Å |
| 160 | L | 97.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -50.6 | -47.1 | -176.1 | 175.9 | 66.8 | 0 | 0 | 0 | 113.4 | A156 C157 A162 F163 Q164 F182 F191 Y195 W198 | A156-L160 WeakPolarHBondContact O-CB 3.26Å; A156-L160 PolarHBondContact O-N 3.32Å; C157-L160 PolarHBondContact O-N 3.19Å; L160-A162 PolarHBondContact O-N 2.95Å; L160-F163 PolarHBondContact O-N 3.34Å; L160-F163 VanDerWaalsContact O-N 3.16Å; L160-Q164 HydrophobicContact CD1-CG 3.88Å; L160-Q164 HydrophobicContact CG-CG 4.22Å; L160-Q164 WeakPolarHBondContact O-CB 3.27Å; L160-Q164 WeakPolarHBondContact O-CG 3.36Å; L160-Q164 PolarHBondContact O-N 2.9Å; L160-F182 HydrophobicContact CB-CE2 4.27Å; L160-F182 HydrophobicContact CB-CZ 4.29Å; L160-F182 HydrophobicContact CD1-CZ 3.77Å; L160-F191 HydrophobicContact CD2-CE1 4.34Å; L160-F191 HydrophobicContact CD2-CZ 4.16Å; L160-Y195 HydrophobicContact CD2-CD1 3.39Å; L160-Y195 HydrophobicContact CD2-CE1 3.36Å; L160-Y195 HydrophobicContact CD2-CG 4.25Å; L160-W198 HydrophobicContact CD1-CD2 3.73Å; L160-W198 HydrophobicContact CD1-CE3 3.65Å; L160-W198 HydrophobicContact CD1-CG 4.39Å; L160-W198 HydrophobicContact CD1-CH2 4.28Å; L160-W198 HydrophobicContact CD1-CZ2 4.33Å; L160-W198 HydrophobicContact CD1-CZ3 3.91Å |
| 161 | P | 97.2 | Very high | 97.2 | Very high | 17 Ų | 17 | 24.9 Ų | 24.9 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.4 | -34.3 | 177.4 | -22.9 | 33.9 | 0 | 0 | 0 | 113.1 | F14 V101 V105 C157 Q164 H165 | F14-P161 HydrophobicContact CE2-CG 4.19Å; V101-P161 HydrophobicContact CG1-CB 4.07Å; V101-P161 HydrophobicContact CG1-CG 4.42Å; V105-P161 HydrophobicContact CB-CB 4.46Å; V105-P161 HydrophobicContact CG1-CB 3.98Å; V105-P161 HydrophobicContact CG2-CB 4.26Å; C157-P161 WeakPolarHBondContact O-CD 3.27Å; P161-Q164 PolarHBondContact O-N 3.29Å; P161-H165 WeakPolarHBondContact O-CB 3.35Å; P161-H165 PolarHBondContact O-CD2 3.14Å; P161-H165 VanDerWaalsContact O-CD2 3.29Å; P161-H165 PolarHBondContact O-N 3.19Å |
| 162 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.8 | -46.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | V101 L126 L159 L160 Q164 H165 V166 L167 | V101-A162 HydrophobicContact CG1-CB 4Å; V101-A162 HydrophobicContact CG2-CB 4.14Å; L126-A162 HydrophobicContact CD2-CB 4.48Å; L159-A162 WeakPolarHBondContact O-CA 3.46Å; L159-A162 WeakPolarHBondContact O-CB 3.42Å; L159-A162 PolarHBondContact O-N 3.39Å; L160-A162 PolarHBondContact O-N 2.95Å; A162-Q164 VanDerWaalsContact C-N 3.26Å; A162-Q164 PolarHBondContact O-N 2.75Å; A162-H165 PolarHBondContact O-N 3.14Å; A162-V166 HydrophobicContact CB-CG2 4.13Å; A162-V166 PolarHBondContact O-N 3.29Å; A162-L167 HydrophobicContact CB-CD1 3.85Å; A162-L167 HydrophobicContact CB-CG 4.06Å; A162-L167 PolarHBondContact O-N 3.27Å |
| 163 | F | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -28 | 176.1 | -83.4 | -91.3 | 0 | 0 | 0 | 113.4 | L159 L160 L167 R172 V178 T179 F182 L200 C201 | L159-F163 HydrophobicContact CB-CD2 4.13Å; L159-F163 HydrophobicContact CB-CE2 4.17Å; L159-F163 WeakPolarHBondContact O-CD2 3.21Å; L159-F163 PolarHBondContact O-N 3.03Å; L159-F163 VanDerWaalsContact O-N 3.14Å; L160-F163 PolarHBondContact O-N 3.34Å; L160-F163 VanDerWaalsContact O-N 3.16Å; F163-L167 HydrophobicContact CD2-CD1 4.16Å; F163-L167 HydrophobicContact CE2-CD1 4.14Å; F163-L167 HydrophobicContact CZ-CD1 4.47Å; F163-R172 HydrophobicContact CD1-CG 4.37Å; F163-R172 HydrophobicContact CE1-CG 4.11Å; F163-V178 HydrophobicContact CZ-CG1 4.33Å; F163-T179 HydrophobicContact CE1-CG2 4.26Å; F163-F182 HydrophobicContact CB-CD1 4.35Å; F163-F182 HydrophobicContact CB-CE1 3.54Å; F163-F182 HydrophobicContact CB-CE2 4.49Å; F163-F182 HydrophobicContact CB-CZ 3.63Å; F163-F182 AromaticContact CD1-CD1 3.57Å; F163-F182 HydrophobicContact CD1-CD1 3.57Å; F163-F182 AromaticContact CD1-CE1 3.59Å; F163-F182 HydrophobicContact CD1-CE1 3.59Å; F163-F182 HydrophobicContact CD1-CG 4.32Å; F163-F182 HydrophobicContact CD1-CZ 4.37Å; F163-F182 AromaticContact CD2-CD1 3.88Å; F163-F182 HydrophobicContact CD2-CD1 3.88Å; F163-F182 AromaticContact CD2-CD2 3.94Å; F163-F182 HydrophobicContact CD2-CD2 3.94Å; F163-F182 AromaticContact CD2-CE1 3.78Å; F163-F182 HydrophobicContact CD2-CE1 3.78Å; F163-F182 AromaticContact CD2-CE2 3.86Å; F163-F182 HydrophobicContact CD2-CE2 3.86Å; F163-F182 AromaticContact CD2-CG 3.95Å; F163-F182 HydrophobicContact CD2-CG 3.95Å; F163-F182 AromaticContact CD2-CZ 3.78Å; F163-F182 HydrophobicContact CD2-CZ 3.78Å; F163-F182 HydrophobicContact CE1-CB 4.39Å; F163-F182 AromaticContact CE1-CD1 3.7Å; F163-F182 HydrophobicContact CE1-CD1 3.7Å; F163-F182 HydrophobicContact CE1-CE1 4.21Å; F163-F182 HydrophobicContact CE1-CG 4.15Å; F163-F182 HydrophobicContact CE2-CB 4.16Å; F163-F182 HydrophobicContact CE2-CD1 4.01Å; F163-F182 AromaticContact CE2-CD2 3.97Å; F163-F182 HydrophobicContact CE2-CD2 3.97Å; F163-F182 HydrophobicContact CE2-CE1 4.38Å; F163-F182 HydrophobicContact CE2-CE2 4.36Å; F163-F182 AromaticContact CE2-CG 3.77Å; F163-F182 HydrophobicContact CE2-CG 3.77Å; F163-F182 AromaticContact CG-CD1 3.66Å; F163-F182 HydrophobicContact CG-CD1 3.66Å; F163-F182 HydrophobicContact CG-CD2 4.48Å; F163-F182 AromaticContact CG-CE1 3.34Å; F163-F182 HydrophobicContact CG-CE1 3.34Å; F163-F182 HydrophobicContact CG-CE2 4.23Å; F163-F182 HydrophobicContact CG-CG 4.22Å; F163-F182 AromaticContact CG-CZ 3.67Å; F163-F182 HydrophobicContact CG-CZ 3.67Å; F163-F182 HydrophobicContact CZ-CB 3.94Å; F163-F182 AromaticContact CZ-CD1 3.92Å; F163-F182 HydrophobicContact CZ-CD1 3.92Å; F163-F182 AromaticContact CZ-CG 3.88Å; F163-F182 HydrophobicContact CZ-CG 3.88Å; F163-L200 HydrophobicContact CB-CD2 4.26Å; F163-L200 HydrophobicContact CD1-CD2 3.79Å; F163-L200 CarbonylContact O-C 3.59Å; F163-C201 WeakPolarHBondContact O-CB 3.27Å; F163-C201 PolarHBondContact O-N 3.02Å |
| 164 | Q | 97.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 27% | 0.266 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -80.8 | -32.9 | 177.8 | -73.9 | -179.8 | -62.2 | 0 | 0 | 113.4 | L160 P161 A162 W198 | L160-Q164 HydrophobicContact CD1-CG 3.88Å; L160-Q164 HydrophobicContact CG-CG 4.22Å; L160-Q164 WeakPolarHBondContact O-CB 3.27Å; L160-Q164 WeakPolarHBondContact O-CG 3.36Å; L160-Q164 PolarHBondContact O-N 2.9Å; P161-Q164 PolarHBondContact O-N 3.29Å; A162-Q164 VanDerWaalsContact C-N 3.26Å; A162-Q164 PolarHBondContact O-N 2.75Å; Q164-W198 HydrophobicContact CG-CE3 3.78Å; Q164-W198 HydrophobicContact CG-CZ3 4.42Å |
| 165 | H | 97.6 | Very high | 97.2 | Very high | 55 Ų | 55 | 35.9 Ų | 35.9 | 26% | 0.255 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -127.4 | -25.3 | -163.2 | -59.2 | -55.7 | 0 | 0 | 0 | 116.2 | V105 L109 P161 A162 C201 P204 A205 | V105-H165 HydrophobicContact CG1-CB 4.04Å; L109-H165 HydrophobicContact CD2-CB 4.42Å; P161-H165 WeakPolarHBondContact O-CB 3.35Å; P161-H165 PolarHBondContact O-CD2 3.14Å; P161-H165 VanDerWaalsContact O-CD2 3.29Å; P161-H165 PolarHBondContact O-N 3.19Å; A162-H165 PolarHBondContact O-N 3.14Å; H165-C201 VanDerWaalsContact C-SG 3.56Å; H165-P204 CarbonylContact O-C 3.57Å; H165-P204 WeakPolarHBondContact O-CA 3.45Å; H165-A205 HydrophobicContact CB-CB 4.33Å; H165-A205 PolarHBondContact O-N 2.92Å |
| 166 | V | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.4 | -13.3 | -170.6 | -59.1 | 0 | 0 | 0 | 0 | 115.6 | W104 V105 C108 A162 Q171 | W104-V166 HydrophobicContact CD2-CB 4.08Å; W104-V166 HydrophobicContact CD2-CG1 4.45Å; W104-V166 HydrophobicContact CD2-CG2 3.78Å; W104-V166 HydrophobicContact CE3-CG2 3.97Å; W104-V166 HydrophobicContact CG-CG1 4.39Å; W104-V166 HydrophobicContact CG-CG2 4.28Å; W104-V166 HydrophobicContact CH2-CB 4.34Å; W104-V166 HydrophobicContact CH2-CG2 4.22Å; W104-V166 HydrophobicContact CZ2-CB 3.75Å; W104-V166 HydrophobicContact CZ2-CG2 4.05Å; W104-V166 HydrophobicContact CZ3-CG2 4.18Å; V105-V166 HydrophobicContact CG2-CG1 4Å; V105-V166 HydrophobicContact CG2-CG2 3.69Å; C108-V166 HydrophobicContact CB-CG1 4.07Å; A162-V166 HydrophobicContact CB-CG2 4.13Å; A162-V166 PolarHBondContact O-N 3.29Å; V166-Q171 PolarHBondContact O-OE1 2.77Å |
| 167 | L | 97.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -98.7 | 88.1 | 173.6 | -65.7 | 178.8 | 0 | 0 | 0 | 109.5 | W104 L130 A162 F163 Q171 R172 C201 | W104-L167 HydrophobicContact CH2-CD2 4.24Å; W104-L167 HydrophobicContact CZ3-CD2 4.25Å; L130-L167 HydrophobicContact CD1-CD1 4.03Å; L130-L167 HydrophobicContact CD1-CD2 4.26Å; A162-L167 HydrophobicContact CB-CD1 3.85Å; A162-L167 HydrophobicContact CB-CG 4.06Å; A162-L167 PolarHBondContact O-N 3.27Å; F163-L167 HydrophobicContact CD2-CD1 4.16Å; F163-L167 HydrophobicContact CE2-CD1 4.14Å; F163-L167 HydrophobicContact CZ-CD1 4.47Å; L167-Q171 HydrophobicContact CD2-CB 4.21Å; L167-R172 HydrophobicContact CB-CG 4.23Å; L167-R172 PolarHBondContact O-NH1 3.16Å; L167-C201 WeakPolarHBondContact O-CB 3.23Å | ||
| 168 | D | 96.5 | Very high | 97.3 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | trans | -67.9 | 179.8 | 175.6 | 70.7 | 17.9 | 0 | 0 | 0 | 113 | K170 Q171 R172 P204 | D168-K170 VanDerWaalsContact C-N 3.32Å; D168-K170 PolarHBondContact O-N 2.92Å; D168-K170 WeakPolarHBondContact OD1-CA 3.31Å; D168-K170 WeakPolarHBondContact OD1-CB 3.45Å; D168-K170 PolarHBondContact OD1-N 3.41Å; D168-Q171 PolarHBondContact O-N 3.29Å; D168-Q171 WeakPolarHBondContact OD1-CG 3.23Å; D168-Q171 PolarHBondContact OD1-N 3.03Å; D168-Q171 PolarHBondContact OD1-OE1 2.97Å; D168-R172 VanDerWaalsContact C-NH1 3.3Å; D168-R172 VanDerWaalsContact O-CG 3.31Å; D168-R172 WeakPolarHBondContact O-CG 3.36Å; D168-R172 PolarHBondContact O-N 3.02Å; D168-R172 PolarHBondContact O-NH1 2.75Å; D168-P204 HydrophobicContact CB-CG 3.95Å | ||
| 169 | E | 96.4 | Very high | 97.3 | Very high | 141 Ų | 141 | 42.8 Ų | 42.8 | 66% | 0.659 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -58.2 | -43.8 | 179.9 | -172.3 | 172.4 | -175.9 | 0 | 0 | 112.6 | Q171 R172 T173 | E169-Q171 VanDerWaalsContact C-N 3.3Å; E169-Q171 PolarHBondContact O-N 3.38Å; E169-R172 PolarHBondContact O-N 2.7Å; E169-T173 WeakPolarHBondContact O-CG2 3.26Å; E169-T173 PolarHBondContact O-N 3.07Å; E169-T173 VanDerWaalsContact O-N 3.13Å |
| 170 | K | 95.4 | Very high | 97.3 | Very high | 162 Ų | 162 | 47.4 Ų | 47.4 | 70% | 0.704 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.4 | -34.2 | -179.8 | -177.7 | -178.1 | 177.8 | -179.1 | 0 | 112.3 | D168 T173 | D168-K170 VanDerWaalsContact C-N 3.32Å; D168-K170 PolarHBondContact O-N 2.92Å; D168-K170 WeakPolarHBondContact OD1-CA 3.31Å; D168-K170 WeakPolarHBondContact OD1-CB 3.45Å; D168-K170 PolarHBondContact OD1-N 3.41Å; K170-T173 PolarHBondContact O-OG1 2.68Å |
| 171 | Q | 95 | Very high | 97.3 | Very high | 45 Ų | 45 | 47.2 Ų | 47.2 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.5 | -40.9 | 175.8 | -69.3 | 165.3 | -55.2 | 0 | 0 | 111.2 | V166 L167 D168 E169 T173 Q174 Y175 | V166-Q171 PolarHBondContact O-OE1 2.77Å; L167-Q171 HydrophobicContact CD2-CB 4.21Å; D168-Q171 PolarHBondContact O-N 3.29Å; D168-Q171 WeakPolarHBondContact OD1-CG 3.23Å; D168-Q171 PolarHBondContact OD1-N 3.03Å; D168-Q171 PolarHBondContact OD1-OE1 2.97Å; E169-Q171 VanDerWaalsContact C-N 3.3Å; E169-Q171 PolarHBondContact O-N 3.38Å; Q171-T173 VanDerWaalsContact C-N 3.27Å; Q171-T173 PolarHBondContact O-N 2.77Å; Q171-Q174 WeakPolarHBondContact O-CB 3.44Å; Q171-Q174 PolarHBondContact O-N 2.64Å; Q171-Y175 VanDerWaalsContact O-CD2 3.27Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.34Å |
| 172 | R | 97.1 | Very high | 97.4 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -30.3 | 179.5 | -71.5 | -172.9 | -52.3 | -96.9 | 4.4 | 113.4 | F163 L167 D168 E169 Q174 Y175 T179 C201 | F163-R172 HydrophobicContact CD1-CG 4.37Å; F163-R172 HydrophobicContact CE1-CG 4.11Å; L167-R172 HydrophobicContact CB-CG 4.23Å; L167-R172 PolarHBondContact O-NH1 3.16Å; D168-R172 VanDerWaalsContact C-NH1 3.3Å; D168-R172 VanDerWaalsContact O-CG 3.31Å; D168-R172 WeakPolarHBondContact O-CG 3.36Å; D168-R172 PolarHBondContact O-N 3.02Å; D168-R172 PolarHBondContact O-NH1 2.75Å; E169-R172 PolarHBondContact O-N 2.7Å; R172-Q174 PolarHBondContact O-N 3.49Å; R172-Y175 CarbonylContact O-C 3.45Å; R172-Y175 VanDerWaalsContact O-C 3.32Å; R172-Y175 PolarHBondContact O-N 3.26Å; R172-T179 HydrophobicContact CB-CG2 4.46Å; R172-T179 PolarHBondContact O-OG1 3.21Å; R172-C201 PolarHBondContact NH1-O 3.36Å |
| 173 | T | 95.6 | Very high | 97.4 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 56% | 0.558 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -64.1 | -19 | 174.6 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | E169 K170 Q171 Y175 I176 | E169-T173 WeakPolarHBondContact O-CG2 3.26Å; E169-T173 PolarHBondContact O-N 3.07Å; E169-T173 VanDerWaalsContact O-N 3.13Å; K170-T173 PolarHBondContact O-OG1 2.68Å; Q171-T173 VanDerWaalsContact C-N 3.27Å; Q171-T173 PolarHBondContact O-N 2.77Å; T173-Y175 VanDerWaalsContact C-N 3.27Å; T173-I176 WeakPolarHBondContact O-CG2 3.39Å |
| 174 | Q | 96.9 | Very high | 97.3 | Very high | 98 Ų | 98 | 51.2 Ų | 51.2 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -77.8 | -15.6 | 172.7 | -59.5 | 176.3 | 52.6 | 0 | 0 | 112.5 | Q171 R172 | Q171-Q174 WeakPolarHBondContact O-CB 3.44Å; Q171-Q174 PolarHBondContact O-N 2.64Å; R172-Q174 PolarHBondContact O-N 3.49Å |
| 175 | Y | 97.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -130.5 | 49.8 | -172.8 | -45.6 | -62.5 | 0 | 0 | 0 | 111.2 | A127 L130 R131 N134 Q171 R172 T173 N177 V178 T179 | A127-Y175 WeakPolarHBondContact CA-OH 3.31Å; A127-Y175 WeakPolarHBondContact CB-OH 3.46Å; L130-Y175 HydrophobicContact CB-CD1 3.63Å; L130-Y175 HydrophobicContact CB-CD2 4.2Å; L130-Y175 HydrophobicContact CB-CE1 3.54Å; L130-Y175 HydrophobicContact CB-CE2 4.13Å; L130-Y175 HydrophobicContact CB-CG 3.96Å; L130-Y175 HydrophobicContact CD1-CD2 4.01Å; L130-Y175 HydrophobicContact CD1-CE2 3.81Å; R131-Y175 HydrophobicContact CG-CE1 3.74Å; N134-Y175 HydrophobicContact CB-CD1 4.45Å; N134-Y175 VanDerWaalsContact OD1-CA 3.29Å; N134-Y175 WeakPolarHBondContact OD1-CA 3.43Å; Q171-Y175 VanDerWaalsContact O-CD2 3.27Å; Q171-Y175 WeakPolarHBondContact O-CD2 3.34Å; R172-Y175 CarbonylContact O-C 3.45Å; R172-Y175 VanDerWaalsContact O-C 3.32Å; R172-Y175 PolarHBondContact O-N 3.26Å; T173-Y175 VanDerWaalsContact C-N 3.27Å; Y175-N177 VanDerWaalsContact C-N 3.34Å; Y175-N177 PolarHBondContact O-N 2.8Å; Y175-V178 PolarHBondContact O-N 3.4Å; Y175-T179 WeakPolarHBondContact O-CB 3.12Å; Y175-T179 PolarHBondContact O-N 3Å; Y175-T179 PolarHBondContact O-OG1 3.08Å |
| 176 | I | 98.1 | Very high | 97.4 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 53% | 0.533 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.9 | -40.7 | -173.1 | 58.2 | 172.9 | 0 | 0 | 0 | 113.9 | N134 T173 T179 R180 | N134-I176 PolarHBondContact OD1-N 3.29Å; T173-I176 WeakPolarHBondContact O-CG2 3.39Å; I176-T179 PolarHBondContact O-N 3.05Å; I176-R180 WeakPolarHBondContact O-CB 3.29Å; I176-R180 PolarHBondContact O-N 3.11Å |
| 177 | N | 98.5 | Very high | 97.3 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.2 | -37.1 | -177.2 | -56.8 | -41.7 | 0 | 0 | 0 | 110.9 | N134 M137 Y138 Y175 W181 | N134-N177 WeakPolarHBondContact O-CB 3.41Å; N134-N177 PolarHBondContact O-ND2 3.03Å; N134-N177 WeakPolarHBondContact OD1-CA 3.33Å; N134-N177 WeakPolarHBondContact OD1-CB 3.39Å; N134-N177 PolarHBondContact OD1-N 3.37Å; M137-N177 HydrophobicContact CB-CB 3.78Å; Y138-N177 WeakPolarHBondContact CA-ND2 3.44Å; Y175-N177 VanDerWaalsContact C-N 3.34Å; Y175-N177 PolarHBondContact O-N 2.8Å; N177-W181 WeakPolarHBondContact O-CB 3.33Å; N177-W181 PolarHBondContact O-N 3.25Å |
| 178 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 172 | -175.1 | 0 | 0 | 0 | 0 | 110 | L130 L133 N134 F163 Y175 R180 W181 F182 | L130-V178 HydrophobicContact CD2-CG1 4.08Å; L133-V178 HydrophobicContact CB-CG2 4.09Å; L133-V178 HydrophobicContact CD2-CG1 3.92Å; L133-V178 HydrophobicContact CD2-CG2 4.13Å; L133-V178 HydrophobicContact CG-CG2 3.92Å; N134-V178 VanDerWaalsContact CA-CG2 3.42Å; N134-V178 HydrophobicContact CB-CG2 3.66Å; N134-V178 PolarHBondContact OD1-N 2.98Å; F163-V178 HydrophobicContact CZ-CG1 4.33Å; Y175-V178 PolarHBondContact O-N 3.4Å; V178-R180 PolarHBondContact O-N 3.13Å; V178-W181 HydrophobicContact CG1-CE3 4.14Å; V178-W181 HydrophobicContact CG1-CZ3 4.37Å; V178-W181 PolarHBondContact O-N 3.24Å; V178-F182 WeakPolarHBondContact O-CB 3.43Å; V178-F182 PolarHBondContact O-N 3.38Å |
| 179 | T | 98.2 | Very high | 97.2 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 179.1 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | F163 R172 Y175 I176 F182 L183 | F163-T179 HydrophobicContact CE1-CG2 4.26Å; R172-T179 HydrophobicContact CB-CG2 4.46Å; R172-T179 PolarHBondContact O-OG1 3.21Å; Y175-T179 WeakPolarHBondContact O-CB 3.12Å; Y175-T179 PolarHBondContact O-N 3Å; Y175-T179 PolarHBondContact O-OG1 3.08Å; I176-T179 PolarHBondContact O-N 3.05Å; T179-F182 PolarHBondContact O-N 3.34Å; T179-L183 HydrophobicContact CG2-CD1 4.01Å; T179-L183 HydrophobicContact CG2-CG 4.43Å; T179-L183 WeakPolarHBondContact O-CB 3.45Å; T179-L183 VanDerWaalsContact O-CG 3.26Å; T179-L183 WeakPolarHBondContact O-CG 3.5Å; T179-L183 PolarHBondContact O-N 3.47Å |
| 180 | R | 98.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 49.9 Ų | 49.9 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.9 | -51.8 | 173.9 | 178.8 | -143.3 | 61 | -179.3 | -6.1 | 111.3 | M137 R140 I176 V178 L183 T184 | M137-R180 PolarHBondContact O-NH2 2.96Å; R140-R180 PolarHBondContact O-NH1 3.15Å; R140-R180 PolarHBondContact O-NH2 3.31Å; I176-R180 WeakPolarHBondContact O-CB 3.29Å; I176-R180 PolarHBondContact O-N 3.11Å; V178-R180 PolarHBondContact O-N 3.13Å; R180-L183 PolarHBondContact O-N 2.96Å; R180-T184 WeakPolarHBondContact O-CB 3.31Å; R180-T184 PolarHBondContact O-N 3.24Å; R180-T184 PolarHBondContact O-OG1 3.43Å |
| 181 | W | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 179 | 161.6 | 80.4 | 0 | 0 | 0 | 112.4 | L133 M137 L143 D152 L155 A156 L159 N177 V178 L183 T184 V185 | L133-W181 HydrophobicContact CD2-CZ3 4.43Å; M137-W181 HydrophobicContact CE-CB 3.73Å; M137-W181 HydrophobicContact CE-CD2 4.49Å; M137-W181 HydrophobicContact CE-CG 3.56Å; M137-W181 HydrophobicContact CG-CB 4.43Å; M137-W181 HydrophobicContact SD-CG 4.35Å; L143-W181 HydrophobicContact CD1-CZ2 4.05Å; L143-W181 HydrophobicContact CG-CZ2 4.27Å; D152-W181 HydrophobicContact CB-CZ2 4.36Å; D152-W181 PolarHBondContact OD1-NE1 2.89Å; L155-W181 HydrophobicContact CB-CH2 3.87Å; L155-W181 HydrophobicContact CB-CZ2 4.23Å; L155-W181 HydrophobicContact CD2-CH2 3.71Å; L155-W181 HydrophobicContact CD2-CZ2 4.14Å; L155-W181 HydrophobicContact CD2-CZ3 4.38Å; L155-W181 HydrophobicContact CG-CH2 3.65Å; L155-W181 HydrophobicContact CG-CZ2 4.35Å; L155-W181 HydrophobicContact CG-CZ3 4.44Å; A156-W181 HydrophobicContact CB-CH2 4.13Å; A156-W181 HydrophobicContact CB-CZ2 4.49Å; L159-W181 HydrophobicContact CD1-CH2 4.32Å; L159-W181 HydrophobicContact CD1-CZ3 3.85Å; N177-W181 WeakPolarHBondContact O-CB 3.33Å; N177-W181 PolarHBondContact O-N 3.25Å; V178-W181 HydrophobicContact CG1-CE3 4.14Å; V178-W181 HydrophobicContact CG1-CZ3 4.37Å; V178-W181 PolarHBondContact O-N 3.24Å; W181-L183 VanDerWaalsContact C-N 3.34Å; W181-L183 PolarHBondContact O-N 2.79Å; W181-T184 WeakPolarHBondContact O-CA 3.38Å; W181-T184 WeakPolarHBondContact O-CB 3.44Å; W181-T184 PolarHBondContact O-N 3Å; W181-T184 VanDerWaalsContact O-N 3.07Å; W181-V185 HydrophobicContact CZ2-CG2 4.37Å; W181-V185 WeakPolarHBondContact O-CG2 3.35Å; W181-V185 PolarHBondContact O-N 2.98Å |
| 182 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.5 | -51 | 179.3 | 173.9 | -101.1 | 0 | 0 | 0 | 110.2 | A156 L159 L160 F163 V178 T179 T184 V185 V186 W198 | A156-F182 HydrophobicContact CB-CD2 4.14Å; A156-F182 HydrophobicContact CB-CE2 4.37Å; A156-F182 WeakPolarHBondContact O-CE2 3.31Å; L159-F182 HydrophobicContact CB-CD2 4.47Å; L159-F182 HydrophobicContact CB-CE2 4.44Å; L160-F182 HydrophobicContact CB-CE2 4.27Å; L160-F182 HydrophobicContact CB-CZ 4.29Å; L160-F182 HydrophobicContact CD1-CZ 3.77Å; F163-F182 HydrophobicContact CB-CD1 4.35Å; F163-F182 HydrophobicContact CB-CE1 3.54Å; F163-F182 HydrophobicContact CB-CE2 4.49Å; F163-F182 HydrophobicContact CB-CZ 3.63Å; F163-F182 AromaticContact CD1-CD1 3.57Å; F163-F182 HydrophobicContact CD1-CD1 3.57Å; F163-F182 AromaticContact CD1-CE1 3.59Å; F163-F182 HydrophobicContact CD1-CE1 3.59Å; F163-F182 HydrophobicContact CD1-CG 4.32Å; F163-F182 HydrophobicContact CD1-CZ 4.37Å; F163-F182 AromaticContact CD2-CD1 3.88Å; F163-F182 HydrophobicContact CD2-CD1 3.88Å; F163-F182 AromaticContact CD2-CD2 3.94Å; F163-F182 HydrophobicContact CD2-CD2 3.94Å; F163-F182 AromaticContact CD2-CE1 3.78Å; F163-F182 HydrophobicContact CD2-CE1 3.78Å; F163-F182 AromaticContact CD2-CE2 3.86Å; F163-F182 HydrophobicContact CD2-CE2 3.86Å; F163-F182 AromaticContact CD2-CG 3.95Å; F163-F182 HydrophobicContact CD2-CG 3.95Å; F163-F182 AromaticContact CD2-CZ 3.78Å; F163-F182 HydrophobicContact CD2-CZ 3.78Å; F163-F182 HydrophobicContact CE1-CB 4.39Å; F163-F182 AromaticContact CE1-CD1 3.7Å; F163-F182 HydrophobicContact CE1-CD1 3.7Å; F163-F182 HydrophobicContact CE1-CE1 4.21Å; F163-F182 HydrophobicContact CE1-CG 4.15Å; F163-F182 HydrophobicContact CE2-CB 4.16Å; F163-F182 HydrophobicContact CE2-CD1 4.01Å; F163-F182 AromaticContact CE2-CD2 3.97Å; F163-F182 HydrophobicContact CE2-CD2 3.97Å; F163-F182 HydrophobicContact CE2-CE1 4.38Å; F163-F182 HydrophobicContact CE2-CE2 4.36Å; F163-F182 AromaticContact CE2-CG 3.77Å; F163-F182 HydrophobicContact CE2-CG 3.77Å; F163-F182 AromaticContact CG-CD1 3.66Å; F163-F182 HydrophobicContact CG-CD1 3.66Å; F163-F182 HydrophobicContact CG-CD2 4.48Å; F163-F182 AromaticContact CG-CE1 3.34Å; F163-F182 HydrophobicContact CG-CE1 3.34Å; F163-F182 HydrophobicContact CG-CE2 4.23Å; F163-F182 HydrophobicContact CG-CG 4.22Å; F163-F182 AromaticContact CG-CZ 3.67Å; F163-F182 HydrophobicContact CG-CZ 3.67Å; F163-F182 HydrophobicContact CZ-CB 3.94Å; F163-F182 AromaticContact CZ-CD1 3.92Å; F163-F182 HydrophobicContact CZ-CD1 3.92Å; F163-F182 AromaticContact CZ-CG 3.88Å; F163-F182 HydrophobicContact CZ-CG 3.88Å; V178-F182 WeakPolarHBondContact O-CB 3.43Å; V178-F182 PolarHBondContact O-N 3.38Å; T179-F182 PolarHBondContact O-N 3.34Å; F182-T184 VanDerWaalsContact C-N 3.3Å; F182-T184 PolarHBondContact O-N 3.31Å; F182-V185 PolarHBondContact O-N 3.43Å; F182-V185 VanDerWaalsContact O-N 3.09Å; F182-V186 HydrophobicContact CD1-CG1 4.47Å; F182-V186 HydrophobicContact CD1-CG2 4.37Å; F182-V186 HydrophobicContact CD2-CG1 4.01Å; F182-V186 HydrophobicContact CE1-CG1 4.12Å; F182-V186 HydrophobicContact CE1-CG2 4.23Å; F182-V186 HydrophobicContact CE2-CG1 3.6Å; F182-V186 HydrophobicContact CG-CG1 4.42Å; F182-V186 HydrophobicContact CZ-CG1 3.66Å; F182-V186 WeakPolarHBondContact O-CG1 3.49Å; F182-V186 WeakPolarHBondContact O-CG2 3.38Å; F182-V186 PolarHBondContact O-N 3.07Å; F182-W198 AromaticContact CE1-CH2 3.48Å; F182-W198 HydrophobicContact CE1-CH2 3.48Å; F182-W198 VanDerWaalsContact CE1-CH2 3.48Å; F182-W198 HydrophobicContact CE1-CZ2 4.26Å; F182-W198 HydrophobicContact CE1-CZ3 4.06Å; F182-W198 AromaticContact CZ-CH2 3.96Å; F182-W198 HydrophobicContact CZ-CH2 3.96Å; F182-W198 HydrophobicContact CZ-CZ3 4.35Å |
| 183 | L | 98.1 | Very high | 97.1 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.8 | -70.4 | 178.2 | 0 | 0 | 0 | 112.6 | T179 R180 W181 V186 N187 W198 L200 | T179-L183 HydrophobicContact CG2-CD1 4.01Å; T179-L183 HydrophobicContact CG2-CG 4.43Å; T179-L183 WeakPolarHBondContact O-CB 3.45Å; T179-L183 VanDerWaalsContact O-CG 3.26Å; T179-L183 WeakPolarHBondContact O-CG 3.5Å; T179-L183 PolarHBondContact O-N 3.47Å; R180-L183 PolarHBondContact O-N 2.96Å; W181-L183 VanDerWaalsContact C-N 3.34Å; W181-L183 PolarHBondContact O-N 2.79Å; L183-V186 HydrophobicContact CD2-CG2 4.35Å; L183-N187 WeakPolarHBondContact O-CB 3.49Å; L183-N187 PolarHBondContact O-N 2.85Å; L183-N187 PolarHBondContact O-ND2 3.35Å; L183-W198 HydrophobicContact CD2-CH2 4.41Å; L183-L200 HydrophobicContact CD2-CD1 4.31Å; L183-L200 HydrophobicContact CD2-CD2 4.35Å |
| 184 | T | 97.7 | Very high | 97.1 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -39 | 173.8 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | F142 R180 W181 F182 Q188 | F142-T184 HydrophobicContact CE1-CG2 4Å; F142-T184 HydrophobicContact CZ-CG2 4.05Å; R180-T184 WeakPolarHBondContact O-CB 3.31Å; R180-T184 PolarHBondContact O-N 3.24Å; R180-T184 PolarHBondContact O-OG1 3.43Å; W181-T184 WeakPolarHBondContact O-CA 3.38Å; W181-T184 WeakPolarHBondContact O-CB 3.44Å; W181-T184 PolarHBondContact O-N 3Å; W181-T184 VanDerWaalsContact O-N 3.07Å; F182-T184 VanDerWaalsContact C-N 3.3Å; F182-T184 PolarHBondContact O-N 3.31Å; T184-Q188 WeakPolarHBondContact O-CG 3.33Å; T184-Q188 PolarHBondContact O-NE2 3.35Å |
| 185 | V | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75 | -51.6 | -179.3 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | F142 L148 D152 A156 W181 F182 N187 Q188 | F142-V185 HydrophobicContact CE1-CG2 4.41Å; L148-V185 HydrophobicContact CD1-CG1 4.21Å; L148-V185 HydrophobicContact CD1-CG2 3.93Å; D152-V185 HydrophobicContact CB-CG2 3.98Å; A156-V185 HydrophobicContact CB-CB 4.12Å; A156-V185 HydrophobicContact CB-CG1 3.63Å; W181-V185 HydrophobicContact CZ2-CG2 4.37Å; W181-V185 WeakPolarHBondContact O-CG2 3.35Å; W181-V185 PolarHBondContact O-N 2.98Å; F182-V185 PolarHBondContact O-N 3.43Å; F182-V185 VanDerWaalsContact O-N 3.09Å; V185-N187 PolarHBondContact O-N 3.07Å; V185-Q188 WeakPolarHBondContact O-CB 3.17Å; V185-Q188 WeakPolarHBondContact O-CG 3.45Å; V185-Q188 PolarHBondContact O-N 3.34Å |
| 186 | V | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.2 | -18.9 | -175.1 | -59.7 | 0 | 0 | 0 | 0 | 113.6 | A156 F182 L183 Q188 F191 W198 | A156-V186 HydrophobicContact CB-CG1 4.35Å; F182-V186 HydrophobicContact CD1-CG1 4.47Å; F182-V186 HydrophobicContact CD1-CG2 4.37Å; F182-V186 HydrophobicContact CD2-CG1 4.01Å; F182-V186 HydrophobicContact CE1-CG1 4.12Å; F182-V186 HydrophobicContact CE1-CG2 4.23Å; F182-V186 HydrophobicContact CE2-CG1 3.6Å; F182-V186 HydrophobicContact CG-CG1 4.42Å; F182-V186 HydrophobicContact CZ-CG1 3.66Å; F182-V186 WeakPolarHBondContact O-CG1 3.49Å; F182-V186 WeakPolarHBondContact O-CG2 3.38Å; F182-V186 PolarHBondContact O-N 3.07Å; L183-V186 HydrophobicContact CD2-CG2 4.35Å; V186-Q188 VanDerWaalsContact C-N 3.3Å; V186-F191 HydrophobicContact CB-CD1 3.89Å; V186-F191 HydrophobicContact CB-CE1 3.86Å; V186-F191 HydrophobicContact CB-CG 4.38Å; V186-F191 HydrophobicContact CB-CZ 4.32Å; V186-F191 HydrophobicContact CG1-CD1 4.23Å; V186-F191 HydrophobicContact CG1-CE1 3.78Å; V186-F191 HydrophobicContact CG1-CE2 4.16Å; V186-F191 HydrophobicContact CG1-CZ 3.75Å; V186-F191 WeakPolarHBondContact O-CD1 3.17Å; V186-W198 HydrophobicContact CB-CZ2 3.71Å; V186-W198 HydrophobicContact CG1-CZ2 4.3Å; V186-W198 HydrophobicContact CG2-CH2 3.96Å; V186-W198 HydrophobicContact CG2-CZ2 3.33Å |
| 187 | N | 96.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3 | 175.5 | -82.2 | -66.7 | 0 | 0 | 0 | 114.2 | L183 V185 K192 | L183-N187 WeakPolarHBondContact O-CB 3.49Å; L183-N187 PolarHBondContact O-N 2.85Å; L183-N187 PolarHBondContact O-ND2 3.35Å; V185-N187 PolarHBondContact O-N 3.07Å; N187-K192 WeakPolarHBondContact O-CE 3.33Å; N187-K192 WeakPolarHBondContact OD1-CE 3.39Å; N187-K192 PolarHBondContact OD1-NZ 3.06Å |
| 188 | Q | 95.5 | Very high | 96.1 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 29% | 0.29 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -65.8 | 146.6 | 176.8 | -62.1 | -63.6 | -34.7 | 0 | 0 | 111.4 | L148 T184 V185 V186 F190 F191 K192 | L148-Q188 HydrophobicContact CD2-CG 4.11Å; T184-Q188 WeakPolarHBondContact O-CG 3.33Å; T184-Q188 PolarHBondContact O-NE2 3.35Å; V185-Q188 WeakPolarHBondContact O-CB 3.17Å; V185-Q188 WeakPolarHBondContact O-CG 3.45Å; V185-Q188 PolarHBondContact O-N 3.34Å; V186-Q188 VanDerWaalsContact C-N 3.3Å; Q188-F190 VanDerWaalsContact C-N 3.31Å; Q188-F190 HydrophobicContact CB-CD1 3.56Å; Q188-F190 HydrophobicContact CB-CE1 3.17Å; Q188-F190 HydrophobicContact CB-CZ 3.89Å; Q188-F190 HydrophobicContact CG-CD1 4.44Å; Q188-F190 HydrophobicContact CG-CE1 3.66Å; Q188-F190 HydrophobicContact CG-CZ 4.26Å; Q188-F190 PolarHBondContact O-N 3.11Å; Q188-F191 PolarHBondContact O-N 2.91Å; Q188-K192 PolarHBondContact O-N 3.37Å; Q188-K192 VanDerWaalsContact O-N 3.12Å |
| 189 | P | 96.1 | Very high | 96 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 66% | 0.656 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -55.8 | -40.8 | -177.5 | -27.7 | 35.1 | 0 | 0 | 0 | 114.2 | F191 K193 | P189-F191 VanDerWaalsContact C-N 3.29Å; P189-F191 PolarHBondContact O-N 3.47Å; P189-K193 WeakPolarHBondContact O-CB 3.33Å; P189-K193 PolarHBondContact O-N 2.63Å |
| 190 | F | 94.5 | Very high | 95.9 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 178.8 | 73.3 | -94.3 | 0 | 0 | 0 | 111.9 | A21 E24 L25 L148 V153 Q188 V194 | A21-F190 HydrophobicContact CB-CD2 4.47Å; A21-F190 VanDerWaalsContact O-CD2 3.28Å; A21-F190 WeakPolarHBondContact O-CD2 3.41Å; E24-F190 HydrophobicContact CB-CB 3.79Å; L25-F190 HydrophobicContact CB-CD1 4.3Å; L25-F190 HydrophobicContact CB-CD2 3.89Å; L25-F190 HydrophobicContact CB-CE1 4.43Å; L25-F190 HydrophobicContact CB-CE2 4.06Å; L25-F190 HydrophobicContact CB-CG 4.05Å; L25-F190 HydrophobicContact CB-CZ 4.34Å; L25-F190 HydrophobicContact CD1-CD1 3.95Å; L25-F190 HydrophobicContact CD1-CE1 3.68Å; L25-F190 HydrophobicContact CD1-CZ 4.07Å; L148-F190 HydrophobicContact CD2-CE1 3.5Å; L148-F190 VanDerWaalsContact CD2-CE1 3.5Å; L148-F190 HydrophobicContact CD2-CZ 3.85Å; V153-F190 HydrophobicContact CG1-CE2 4.27Å; V153-F190 HydrophobicContact CG2-CE2 3.66Å; V153-F190 HydrophobicContact CG2-CZ 3.63Å; Q188-F190 VanDerWaalsContact C-N 3.31Å; Q188-F190 HydrophobicContact CB-CD1 3.56Å; Q188-F190 HydrophobicContact CB-CE1 3.17Å; Q188-F190 HydrophobicContact CB-CZ 3.89Å; Q188-F190 HydrophobicContact CG-CD1 4.44Å; Q188-F190 HydrophobicContact CG-CE1 3.66Å; Q188-F190 HydrophobicContact CG-CZ 4.26Å; Q188-F190 PolarHBondContact O-N 3.11Å; F190-V194 PolarHBondContact O-N 2.92Å |
| 191 | F | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.2 | -48.1 | -178.2 | -162.7 | -78.9 | 0 | 0 | 0 | 110.4 | L160 V186 Q188 P189 K193 V194 Y195 | L160-F191 HydrophobicContact CD2-CE1 4.34Å; L160-F191 HydrophobicContact CD2-CZ 4.16Å; V186-F191 HydrophobicContact CB-CD1 3.89Å; V186-F191 HydrophobicContact CB-CE1 3.86Å; V186-F191 HydrophobicContact CB-CG 4.38Å; V186-F191 HydrophobicContact CB-CZ 4.32Å; V186-F191 HydrophobicContact CG1-CD1 4.23Å; V186-F191 HydrophobicContact CG1-CE1 3.78Å; V186-F191 HydrophobicContact CG1-CE2 4.16Å; V186-F191 HydrophobicContact CG1-CZ 3.75Å; V186-F191 WeakPolarHBondContact O-CD1 3.17Å; Q188-F191 PolarHBondContact O-N 2.91Å; P189-F191 VanDerWaalsContact C-N 3.29Å; P189-F191 PolarHBondContact O-N 3.47Å; F191-K193 VanDerWaalsContact C-N 3.26Å; F191-K193 PolarHBondContact O-N 2.94Å; F191-V194 PolarHBondContact O-N 3.41Å; F191-V194 VanDerWaalsContact O-N 3.1Å; F191-Y195 AromaticContact CD1-CD2 3.83Å; F191-Y195 HydrophobicContact CD1-CD2 3.83Å; F191-Y195 HydrophobicContact CD1-CG 4.17Å; F191-Y195 HydrophobicContact CD2-CD2 4.39Å; F191-Y195 HydrophobicContact CE1-CD1 4.31Å; F191-Y195 AromaticContact CE1-CD2 3.47Å; F191-Y195 HydrophobicContact CE1-CD2 3.47Å; F191-Y195 VanDerWaalsContact CE1-CD2 3.47Å; F191-Y195 HydrophobicContact CE1-CE2 4.06Å; F191-Y195 AromaticContact CE1-CG 3.61Å; F191-Y195 HydrophobicContact CE1-CG 3.61Å; F191-Y195 HydrophobicContact CE2-CD2 4.08Å; F191-Y195 AromaticContact CE2-CE2 3.95Å; F191-Y195 HydrophobicContact CE2-CE2 3.95Å; F191-Y195 HydrophobicContact CG-CD2 4.28Å; F191-Y195 HydrophobicContact CZ-CD1 4.48Å; F191-Y195 AromaticContact CZ-CD2 3.6Å; F191-Y195 HydrophobicContact CZ-CD2 3.6Å; F191-Y195 AromaticContact CZ-CE2 3.68Å; F191-Y195 HydrophobicContact CZ-CE2 3.68Å; F191-Y195 HydrophobicContact CZ-CG 4.03Å; F191-Y195 PolarHBondContact O-N 3.16Å |
| 192 | K | 96.2 | Very high | 95.7 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.4 | -37.8 | 175.8 | -69.4 | -173.1 | -179.7 | -179.6 | 0 | 112.4 | N187 Q188 V194 G196 | N187-K192 WeakPolarHBondContact O-CE 3.33Å; N187-K192 WeakPolarHBondContact OD1-CE 3.39Å; N187-K192 PolarHBondContact OD1-NZ 3.06Å; Q188-K192 PolarHBondContact O-N 3.37Å; Q188-K192 VanDerWaalsContact O-N 3.12Å; K192-V194 VanDerWaalsContact C-N 3.27Å; K192-V194 PolarHBondContact O-N 2.92Å; K192-G196 VanDerWaalsContact O-CA 3.3Å; K192-G196 WeakPolarHBondContact O-CA 3.24Å; K192-G196 PolarHBondContact O-N 2.86Å |
| 193 | K | 95 | Very high | 95.5 | Very high | 141 Ų | 141 | 66 Ų | 66 | 61% | 0.613 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.8 | -37.2 | 177 | -175.5 | -179.6 | 175.6 | -167.7 | 0 | 112.5 | E24 P189 F191 | E24-K193 HydrophobicContact CG-CD 4.4Å; E24-K193 VanDerWaalsContact OE1-CE 3.32Å; E24-K193 WeakPolarHBondContact OE1-CE 3.35Å; E24-K193 IonicContact OE1-NZ 3.15Å; E24-K193 PolarHBondContact OE1-NZ 2.91Å; E24-K193 WeakPolarHBondContact OE2-CD 3.26Å; E24-K193 IonicContact OE2-NZ 2.68Å; E24-K193 PolarHBondContact OE2-NZ 3.23Å; P189-K193 WeakPolarHBondContact O-CB 3.33Å; P189-K193 PolarHBondContact O-N 2.63Å; F191-K193 VanDerWaalsContact C-N 3.26Å; F191-K193 PolarHBondContact O-N 2.94Å |
| 194 | V | 94.3 | Very high | 95.3 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -89.7 | -42.4 | -175.6 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | K17 L20 A21 E24 F190 F191 K192 | K17-V194 HydrophobicContact CB-CG1 4.24Å; K17-V194 WeakPolarHBondContact O-CG1 3.27Å; L20-V194 HydrophobicContact CB-CG1 3.73Å; L20-V194 HydrophobicContact CB-CG2 4.11Å; A21-V194 HydrophobicContact CB-CB 4.4Å; A21-V194 HydrophobicContact CB-CG1 4.36Å; A21-V194 HydrophobicContact CB-CG2 4.46Å; E24-V194 HydrophobicContact CB-CG2 4.32Å; E24-V194 HydrophobicContact CG-CG2 3.74Å; F190-V194 PolarHBondContact O-N 2.92Å; F191-V194 PolarHBondContact O-N 3.41Å; F191-V194 VanDerWaalsContact O-N 3.1Å; K192-V194 VanDerWaalsContact C-N 3.27Å; K192-V194 PolarHBondContact O-N 2.92Å |
| 195 | Y | 93.9 | Very high | 95.1 | Very high | 31 Ų | 31 | 64.3 Ų | 64.3 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -89.5 | -19.8 | -175.5 | -80.3 | -93.7 | 0 | 0 | 0 | 113.5 | K17 K18 A21 C157 L160 F191 | K17-Y195 HydrophobicContact CB-CE1 3.85Å; K17-Y195 HydrophobicContact CB-CE2 4.01Å; K17-Y195 WeakPolarHBondContact CB-OH 3.29Å; K17-Y195 HydrophobicContact CD-CD1 4.02Å; K17-Y195 HydrophobicContact CD-CE1 3.88Å; K18-Y195 PolarHBondContact N-OH 3.25Å; A21-Y195 HydrophobicContact CB-CE2 4.11Å; C157-Y195 PolarHBondContact SG-OH 3.42Å; L160-Y195 HydrophobicContact CD2-CD1 3.39Å; L160-Y195 HydrophobicContact CD2-CE1 3.36Å; L160-Y195 HydrophobicContact CD2-CG 4.25Å; F191-Y195 AromaticContact CD1-CD2 3.83Å; F191-Y195 HydrophobicContact CD1-CD2 3.83Å; F191-Y195 HydrophobicContact CD1-CG 4.17Å; F191-Y195 HydrophobicContact CD2-CD2 4.39Å; F191-Y195 HydrophobicContact CE1-CD1 4.31Å; F191-Y195 AromaticContact CE1-CD2 3.47Å; F191-Y195 HydrophobicContact CE1-CD2 3.47Å; F191-Y195 VanDerWaalsContact CE1-CD2 3.47Å; F191-Y195 HydrophobicContact CE1-CE2 4.06Å; F191-Y195 AromaticContact CE1-CG 3.61Å; F191-Y195 HydrophobicContact CE1-CG 3.61Å; F191-Y195 HydrophobicContact CE2-CD2 4.08Å; F191-Y195 AromaticContact CE2-CE2 3.95Å; F191-Y195 HydrophobicContact CE2-CE2 3.95Å; F191-Y195 HydrophobicContact CG-CD2 4.28Å; F191-Y195 HydrophobicContact CZ-CD1 4.48Å; F191-Y195 AromaticContact CZ-CD2 3.6Å; F191-Y195 HydrophobicContact CZ-CD2 3.6Å; F191-Y195 AromaticContact CZ-CE2 3.68Å; F191-Y195 HydrophobicContact CZ-CE2 3.68Å; F191-Y195 HydrophobicContact CZ-CG 4.03Å; F191-Y195 PolarHBondContact O-N 3.16Å |
| 196 | G | 92.1 | Very high | 94.7 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | trans | 67 | -158.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K192 | K192-G196 VanDerWaalsContact O-CA 3.3Å; K192-G196 WeakPolarHBondContact O-CA 3.24Å; K192-G196 PolarHBondContact O-N 2.86Å | ||
| 197 | P | 92 | Very high | 94.5 | Very high | 134 Ų | 134 | 73 Ų | 73 | 87% | 0.87 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -69.6 | 136.2 | 175.5 | 29.6 | -33.3 | 0 | 0 | 0 | 110.8 | ||
| 198 | W | 93.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 73.2 Ų | 73.2 | 19% | 0.193 | 38% | 0.38 | C | S | . | . | trans | -151.4 | 160.1 | 171.9 | 66.7 | -82.8 | 0 | 0 | 0 | 108.5 | L160 Q164 F182 L183 V186 L200 | L160-W198 HydrophobicContact CD1-CD2 3.73Å; L160-W198 HydrophobicContact CD1-CE3 3.65Å; L160-W198 HydrophobicContact CD1-CG 4.39Å; L160-W198 HydrophobicContact CD1-CH2 4.28Å; L160-W198 HydrophobicContact CD1-CZ2 4.33Å; L160-W198 HydrophobicContact CD1-CZ3 3.91Å; Q164-W198 HydrophobicContact CG-CE3 3.78Å; Q164-W198 HydrophobicContact CG-CZ3 4.42Å; F182-W198 AromaticContact CE1-CH2 3.48Å; F182-W198 HydrophobicContact CE1-CH2 3.48Å; F182-W198 VanDerWaalsContact CE1-CH2 3.48Å; F182-W198 HydrophobicContact CE1-CZ2 4.26Å; F182-W198 HydrophobicContact CE1-CZ3 4.06Å; F182-W198 AromaticContact CZ-CH2 3.96Å; F182-W198 HydrophobicContact CZ-CH2 3.96Å; F182-W198 HydrophobicContact CZ-CZ3 4.35Å; L183-W198 HydrophobicContact CD2-CH2 4.41Å; V186-W198 HydrophobicContact CB-CZ2 3.71Å; V186-W198 HydrophobicContact CG1-CZ2 4.3Å; V186-W198 HydrophobicContact CG2-CH2 3.96Å; V186-W198 HydrophobicContact CG2-CZ2 3.33Å; W198-L200 HydrophobicContact CH2-CD2 4.09Å; W198-L200 HydrophobicContact CH2-CG 4.49Å; W198-L200 HydrophobicContact CZ3-CD2 3.94Å; W198-L200 HydrophobicContact CZ3-CG 4.29Å | ||
| 199 | E | 95 | Very high | 93.9 | Very high | 162 Ų | 162 | 78.5 Ų | 78.5 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | trans | -127.1 | 153.6 | -174.5 | -64.3 | -179 | 169.7 | 0 | 0 | 111.4 | ||||
| 200 | L | 97.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 76.9 Ų | 76.9 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | trans | -70.8 | 145.2 | 171.6 | -70.6 | 168.6 | 0 | 0 | 0 | 110 | F163 L183 W198 V202 | F163-L200 HydrophobicContact CB-CD2 4.26Å; F163-L200 HydrophobicContact CD1-CD2 3.79Å; F163-L200 CarbonylContact O-C 3.59Å; L183-L200 HydrophobicContact CD2-CD1 4.31Å; L183-L200 HydrophobicContact CD2-CD2 4.35Å; W198-L200 HydrophobicContact CH2-CD2 4.09Å; W198-L200 HydrophobicContact CH2-CG 4.49Å; W198-L200 HydrophobicContact CZ3-CD2 3.94Å; W198-L200 HydrophobicContact CZ3-CG 4.29Å; L200-V202 PolarHBondContact O-N 3.06Å; L200-V202 VanDerWaalsContact O-N 3.16Å | ||
| 201 | C | 96.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 80.7 Ų | 80.7 | 3% | 0.027 | 41% | 0.405 | C | S | . | . | trans | -56.3 | 118.4 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | F163 H165 L167 R172 K203 | F163-C201 WeakPolarHBondContact O-CB 3.27Å; F163-C201 PolarHBondContact O-N 3.02Å; H165-C201 VanDerWaalsContact C-SG 3.56Å; L167-C201 WeakPolarHBondContact O-CB 3.23Å; R172-C201 PolarHBondContact NH1-O 3.36Å; C201-K203 PolarHBondContact SG-O 2.86Å; C201-K203 VanDerWaalsContact SG-O 3.39Å | ||
| 202 | V | 95.9 | Very high | 93.1 | Very high | 131 Ų | 131 | 82.7 Ų | 82.7 | 79% | 0.794 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -91.6 | -46 | 172.2 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | L200 | L200-V202 PolarHBondContact O-N 3.06Å; L200-V202 VanDerWaalsContact O-N 3.16Å |
| 203 | K | 93.9 | Very high | 92.8 | Very high | 150 Ų | 150 | 82.9 Ų | 82.9 | 65% | 0.652 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -125.2 | 129.7 | 174 | -177.1 | -179.9 | 176.5 | -176.3 | 0 | 108.7 | C201 A205 | C201-K203 PolarHBondContact SG-O 2.86Å; C201-K203 VanDerWaalsContact SG-O 3.39Å; K203-A205 PolarHBondContact O-N 3.24Å |
| 204 | P | 93.9 | Very high | 92.4 | Very high | 40 Ų | 40 | 82.5 Ų | 82.5 | 26% | 0.26 | 42% | 0.416 | S | S | . | . | trans | -55.9 | 134.2 | 176.5 | -25.4 | 35.8 | 0 | 0 | 0 | 111.2 | H165 D168 | H165-P204 CarbonylContact O-C 3.57Å; H165-P204 WeakPolarHBondContact O-CA 3.45Å; D168-P204 HydrophobicContact CB-CG 3.95Å | ||
| 205 | A | 92.5 | Very high | 91.9 | Very high | 28 Ų | 28 | 85.2 Ų | 85.2 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | trans | -64.5 | 142.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | C108 L109 H165 K203 | C108-A205 HydrophobicContact CB-CB 3.89Å; C108-A205 VanDerWaalsContact CB-O 3.31Å; C108-A205 WeakPolarHBondContact CB-O 3.12Å; C108-A205 PolarHBondContact SG-O 3.06Å; L109-A205 HydrophobicContact CD2-CB 4.44Å; H165-A205 HydrophobicContact CB-CB 4.33Å; H165-A205 PolarHBondContact O-N 2.92Å; K203-A205 PolarHBondContact O-N 3.24Å | ||
| 206 | E | 90.8 | Very high | 91.4 | Very high | 127 Ų | 127 | 88.3 Ų | 88.3 | 59% | 0.593 | 44% | 0.441 | S | S | * | . | trans | -120 | 143.6 | -177.9 | -70.2 | 171.2 | -172.4 | 0 | 0 | 109 | C108 E208 | C108-E206 CarbonylContact O-C 3.58Å; C108-E206 VanDerWaalsContact O-O 3.13Å; E206-E208 PolarHBondContact O-N 3.22Å | ||
| 207 | F | 92 | Very high | 91 | Very high | 54 Ų | 54 | 89.1 Ų | 89.1 | 24% | 0.237 | 44% | 0.443 | C | S | . | . | trans | -66 | 127.6 | 178.8 | 171.1 | -100.1 | 0 | 0 | 0 | 110.5 | P107 F114 R209 Y212 | P107-F207 WeakPolarHBondContact O-CB 3.5Å; P107-F207 VanDerWaalsContact O-CD2 3.23Å; P107-F207 WeakPolarHBondContact O-CD2 3.38Å; F114-F207 HydrophobicContact CB-CB 4.12Å; F114-F207 HydrophobicContact CB-CD1 3.58Å; F114-F207 HydrophobicContact CB-CD2 3.81Å; F114-F207 HydrophobicContact CB-CE1 3.81Å; F114-F207 HydrophobicContact CB-CE2 4.02Å; F114-F207 HydrophobicContact CB-CG 3.57Å; F114-F207 HydrophobicContact CB-CZ 4.02Å; F114-F207 HydrophobicContact CD2-CB 3.66Å; F114-F207 HydrophobicContact CD2-CD1 4.49Å; F114-F207 HydrophobicContact CD2-CG 4.1Å; F114-F207 HydrophobicContact CE2-CB 4.46Å; F114-F207 HydrophobicContact CG-CB 4.18Å; F114-F207 HydrophobicContact CG-CD1 4.16Å; F114-F207 HydrophobicContact CG-CG 4.13Å; F207-R209 HydrophobicContact CE1-CB 3.91Å; F207-R209 HydrophobicContact CE1-CG 4.33Å; F207-R209 HydrophobicContact CZ-CB 4.43Å; F207-Y212 HydrophobicContact CE2-CD1 4.19Å; F207-Y212 HydrophobicContact CE2-CD2 4.28Å; F207-Y212 AromaticContact CE2-CG 3.73Å; F207-Y212 HydrophobicContact CE2-CG 3.73Å; F207-Y212 HydrophobicContact CZ-CD1 4.01Å; F207-Y212 AromaticContact CZ-CG 3.98Å; F207-Y212 HydrophobicContact CZ-CG 3.98Å | ||
| 208 | E | 90.4 | Very high | 90.5 | Very high | 83 Ų | 83 | 86.3 Ų | 86.3 | 39% | 0.388 | 43% | 0.431 | S | S | . | . | trans | -112.4 | 109.3 | 175.7 | -71.5 | 179.1 | -131.8 | 0 | 0 | 109.5 | S110 E206 S210 K211 Y212 | S110-E208 PolarHBondContact OG-N 3.31Å; S110-E208 PolarHBondContact OG-O 2.85Å; E206-E208 PolarHBondContact O-N 3.22Å; E208-S210 VanDerWaalsContact C-N 3.26Å; E208-S210 PolarHBondContact O-N 2.96Å; E208-K211 HydrophobicContact CB-CB 4.12Å; E208-K211 HydrophobicContact CB-CD 4.06Å; E208-K211 HydrophobicContact CB-CG 4.12Å; E208-K211 HydrophobicContact CG-CD 4.48Å; E208-K211 PolarHBondContact O-N 2.85Å; E208-K211 VanDerWaalsContact O-N 3.14Å; E208-K211 IonicContact OE1-NZ 3.59Å; E208-K211 PolarHBondContact OE1-NZ 3.36Å; E208-K211 VanDerWaalsContact OE2-CD 3.22Å; E208-K211 WeakPolarHBondContact OE2-CD 3.43Å; E208-K211 WeakPolarHBondContact OE2-CE 3.3Å; E208-K211 IonicContact OE2-NZ 2.7Å; E208-K211 PolarHBondContact OE2-NZ 2.95Å; E208-Y212 PolarHBondContact O-N 2.89Å | ||
| 209 | R | 89.8 | Confident | 89.7 | Confident | 174 Ų | 174 | 88.4 Ų | 88.4 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.9 | -36.7 | -175.4 | -169 | 173 | -169.6 | 177 | 2.3 | 113.2 | F207 Y212 Q213 | F207-R209 HydrophobicContact CE1-CB 3.91Å; F207-R209 HydrophobicContact CE1-CG 4.33Å; F207-R209 HydrophobicContact CZ-CB 4.43Å; R209-Y212 PolarHBondContact O-N 2.6Å; R209-Q213 WeakPolarHBondContact O-CG 3.5Å; R209-Q213 PolarHBondContact O-N 2.85Å |
| 210 | S | 90.5 | Very high | 88.4 | Confident | 67 Ų | 67 | 83.6 Ų | 83.6 | 47% | 0.469 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 177 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | E208 Y212 Q213 E214 | E208-S210 VanDerWaalsContact C-N 3.26Å; E208-S210 PolarHBondContact O-N 2.96Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.43Å; S210-Q213 PolarHBondContact O-N 2.76Å; S210-E214 PolarHBondContact O-N 3.17Å |
| 211 | K | 90.6 | Very high | 85.9 | Confident | 100 Ų | 100 | 84 Ų | 84 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.9 | -71.2 | -177.2 | 178.9 | 155.8 | 0 | 112 | E208 E214 F215 | E208-K211 HydrophobicContact CB-CB 4.12Å; E208-K211 HydrophobicContact CB-CD 4.06Å; E208-K211 HydrophobicContact CB-CG 4.12Å; E208-K211 HydrophobicContact CG-CD 4.48Å; E208-K211 PolarHBondContact O-N 2.85Å; E208-K211 VanDerWaalsContact O-N 3.14Å; E208-K211 IonicContact OE1-NZ 3.59Å; E208-K211 PolarHBondContact OE1-NZ 3.36Å; E208-K211 VanDerWaalsContact OE2-CD 3.22Å; E208-K211 WeakPolarHBondContact OE2-CD 3.43Å; E208-K211 WeakPolarHBondContact OE2-CE 3.3Å; E208-K211 IonicContact OE2-NZ 2.7Å; E208-K211 PolarHBondContact OE2-NZ 2.95Å; K211-E214 PolarHBondContact O-N 2.78Å; K211-F215 WeakPolarHBondContact O-CB 3.46Å; K211-F215 PolarHBondContact O-N 3.48Å |
| 212 | Y | 89.6 | Confident | 83.3 | Confident | 43 Ų | 43 | 92 Ų | 92 | 17% | 0.169 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.4 | 177.9 | -111.7 | 0 | 0 | 0 | 112.5 | S110 E113 F207 E208 R209 S210 E214 F215 E216 | S110-Y212 VanDerWaalsContact O-CA 3.25Å; S110-Y212 WeakPolarHBondContact O-CA 3.32Å; E113-Y212 HydrophobicContact CB-CE1 4.14Å; E113-Y212 HydrophobicContact CG-CE1 4.37Å; F207-Y212 HydrophobicContact CE2-CD1 4.19Å; F207-Y212 HydrophobicContact CE2-CD2 4.28Å; F207-Y212 AromaticContact CE2-CG 3.73Å; F207-Y212 HydrophobicContact CE2-CG 3.73Å; F207-Y212 HydrophobicContact CZ-CD1 4.01Å; F207-Y212 AromaticContact CZ-CG 3.98Å; F207-Y212 HydrophobicContact CZ-CG 3.98Å; E208-Y212 PolarHBondContact O-N 2.89Å; R209-Y212 PolarHBondContact O-N 2.6Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.43Å; Y212-E214 VanDerWaalsContact C-N 3.32Å; Y212-E214 PolarHBondContact O-N 3.1Å; Y212-F215 PolarHBondContact O-N 3.32Å; Y212-E216 WeakPolarHBondContact O-CB 3.27Å; Y212-E216 PolarHBondContact O-N 3.15Å |
| 213 | Q | 88.6 | Confident | 81 | Confident | 108 Ų | 108 | 89.6 Ų | 89.6 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 175.1 | -72.5 | 173.6 | -17.6 | 0 | 0 | 112.1 | R209 S210 S217 | R209-Q213 WeakPolarHBondContact O-CG 3.5Å; R209-Q213 PolarHBondContact O-N 2.85Å; S210-Q213 PolarHBondContact O-N 2.76Å; Q213-S217 VanDerWaalsContact O-CB 3.31Å; Q213-S217 WeakPolarHBondContact O-CB 3.45Å; Q213-S217 PolarHBondContact O-N 3.34Å; Q213-S217 PolarHBondContact O-OG 3.31Å |
| 214 | E | 87.5 | Confident | 78.4 | Confident | 134 Ų | 134 | 92.2 Ų | 92.2 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -47.7 | 173.9 | -71.6 | 178.9 | -175.6 | 0 | 0 | 111.5 | S210 K211 Y212 S217 A218 | S210-E214 PolarHBondContact O-N 3.17Å; K211-E214 PolarHBondContact O-N 2.78Å; Y212-E214 VanDerWaalsContact C-N 3.32Å; Y212-E214 PolarHBondContact O-N 3.1Å; E214-S217 PolarHBondContact O-N 2.69Å; E214-S217 PolarHBondContact O-OG 3.18Å; E214-A218 PolarHBondContact O-N 2.9Å |
| 215 | F | 84.4 | Confident | 75.7 | Confident | 86 Ų | 86 | 99.5 Ų | 99.5 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 177.4 | 178.9 | -96.5 | 0 | 0 | 0 | 112.6 | V111 K211 Y212 S217 A218 T219 | V111-F215 HydrophobicContact CB-CD1 4.14Å; V111-F215 HydrophobicContact CB-CD2 4.34Å; V111-F215 HydrophobicContact CB-CE1 3.89Å; V111-F215 HydrophobicContact CB-CE2 4.09Å; V111-F215 HydrophobicContact CB-CG 4.36Å; V111-F215 HydrophobicContact CB-CZ 3.86Å; V111-F215 HydrophobicContact CG1-CD1 4.48Å; V111-F215 HydrophobicContact CG1-CD2 3.86Å; V111-F215 HydrophobicContact CG1-CE1 4.45Å; V111-F215 HydrophobicContact CG1-CE2 3.83Å; V111-F215 HydrophobicContact CG1-CG 4.19Å; V111-F215 HydrophobicContact CG1-CZ 4.13Å; V111-F215 WeakPolarHBondContact O-CE1 3.32Å; K211-F215 WeakPolarHBondContact O-CB 3.46Å; K211-F215 PolarHBondContact O-N 3.48Å; Y212-F215 PolarHBondContact O-N 3.32Å; F215-S217 VanDerWaalsContact C-N 3.33Å; F215-S217 PolarHBondContact O-N 3.35Å; F215-A218 PolarHBondContact O-N 3.36Å; F215-T219 HydrophobicContact CD1-CG2 4.42Å; F215-T219 HydrophobicContact CD2-CG2 4.43Å; F215-T219 HydrophobicContact CE1-CG2 3.97Å; F215-T219 HydrophobicContact CE2-CG2 3.98Å; F215-T219 HydrophobicContact CZ-CG2 3.74Å; F215-T219 WeakPolarHBondContact O-CG2 3.35Å; F215-T219 PolarHBondContact O-N 3.43Å; F215-T219 PolarHBondContact O-OG1 2.93Å |
| 216 | E | 83.4 | Confident | 72.9 | Confident | 96 Ų | 96 | 106 Ų | 106 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.2 | -170.3 | -172.1 | -169.9 | 0 | 0 | 110.8 | Y212 A218 T219 S220 | Y212-E216 WeakPolarHBondContact O-CB 3.27Å; Y212-E216 PolarHBondContact O-N 3.15Å; E216-A218 VanDerWaalsContact C-N 3.32Å; E216-A218 PolarHBondContact O-N 3Å; E216-T219 PolarHBondContact O-N 3.29Å; E216-T219 PolarHBondContact O-OG1 3.14Å; E216-S220 WeakPolarHBondContact O-CB 3.19Å; E216-S220 PolarHBondContact O-N 3.1Å; E216-S220 PolarHBondContact O-OG 3.44Å |
| 217 | S | 83.2 | Confident | 70.4 | Confident | 47 Ų | 47 | 110.1 Ų | 110.1 | 33% | 0.329 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.7 | -34.3 | 178.4 | 77 | 0 | 0 | 0 | 0 | 113.2 | Q213 E214 F215 | Q213-S217 VanDerWaalsContact O-CB 3.31Å; Q213-S217 WeakPolarHBondContact O-CB 3.45Å; Q213-S217 PolarHBondContact O-N 3.34Å; Q213-S217 PolarHBondContact O-OG 3.31Å; E214-S217 PolarHBondContact O-N 2.69Å; E214-S217 PolarHBondContact O-OG 3.18Å; F215-S217 VanDerWaalsContact C-N 3.33Å; F215-S217 PolarHBondContact O-N 3.35Å |
| 218 | A | 81.2 | Confident | 67.8 | Low | 75 Ų | 75 | 117.1 Ų | 117.1 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.9 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E214 F215 E216 | E214-A218 PolarHBondContact O-N 2.9Å; F215-A218 PolarHBondContact O-N 3.36Å; E216-A218 VanDerWaalsContact C-N 3.32Å; E216-A218 PolarHBondContact O-N 3Å |
| 219 | T | 75.4 | Confident | 65.4 | Low | 94 Ų | 94 | 119.1 Ų | 119.1 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -83.3 | -31.3 | -178.5 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | F215 E216 G221 | F215-T219 HydrophobicContact CD1-CG2 4.42Å; F215-T219 HydrophobicContact CD2-CG2 4.43Å; F215-T219 HydrophobicContact CE1-CG2 3.97Å; F215-T219 HydrophobicContact CE2-CG2 3.98Å; F215-T219 HydrophobicContact CZ-CG2 3.74Å; F215-T219 WeakPolarHBondContact O-CG2 3.35Å; F215-T219 PolarHBondContact O-N 3.43Å; F215-T219 PolarHBondContact O-OG1 2.93Å; E216-T219 PolarHBondContact O-N 3.29Å; E216-T219 PolarHBondContact O-OG1 3.14Å; T219-G221 VanDerWaalsContact C-N 3.33Å; T219-G221 PolarHBondContact O-N 3.37Å |
| 220 | S | 68.1 | Low | 63 | Low | 61 Ų | 61 | 120.7 Ų | 120.7 | 43% | 0.427 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -83.4 | -0.3 | 178.9 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | E216 K222 | E216-S220 WeakPolarHBondContact O-CB 3.19Å; E216-S220 PolarHBondContact O-N 3.1Å; E216-S220 PolarHBondContact O-OG 3.44Å; S220-K222 PolarHBondContact O-N 3.32Å; S220-K222 VanDerWaalsContact O-N 3.11Å |
| 221 | G | 44.6 | Very low | 60.7 | Low | 61 Ų | 61 | 126.3 Ų | 126.3 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 68 | 5.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | T219 A223 | T219-G221 VanDerWaalsContact C-N 3.33Å; T219-G221 PolarHBondContact O-N 3.37Å; G221-A223 VanDerWaalsContact C-N 3.32Å; G221-A223 PolarHBondContact O-N 3.48Å |
| 222 | K | 44.3 | Very low | 58.3 | Low | 174 Ų | 174 | 127.8 Ų | 127.8 | 76% | 0.757 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -76.8 | -9.7 | -177.6 | -75.2 | -179 | 179.3 | 173 | 0 | 114.5 | S220 K224 | S220-K222 PolarHBondContact O-N 3.32Å; S220-K222 VanDerWaalsContact O-N 3.11Å; K222-K224 PolarHBondContact O-N 3.43Å |
| 223 | A | 45.7 | Very low | 56.2 | Low | 79 Ų | 79 | 130.9 Ų | 130.9 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -70.6 | 2.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G221 | G221-A223 VanDerWaalsContact C-N 3.32Å; G221-A223 PolarHBondContact O-N 3.48Å |
| 224 | K | 39.6 | Very low | 54.1 | Low | 206 Ų | 206 | 130.6 Ų | 130.6 | 90% | 0.896 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -93.5 | 7.8 | -175.4 | -100.8 | -178 | -178.6 | 175.2 | 0 | 116.9 | K222 | K222-K224 PolarHBondContact O-N 3.43Š|
| 225 | K | 37.5 | Very low | 51.7 | Low | 193 Ų | 193 | 133.6 Ų | 133.6 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -123.9 | 5.5 | -169.1 | -113.7 | -177.1 | -177.2 | -178.8 | 0 | 121.3 | ||
| 226 | N | 33.1 | Very low | 49.7 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | -154.6 | 89.4 | 170.2 | -101.8 | -20.4 | 0 | 0 | 0 | 113.9 | ||||
| 227 | K | 40.1 | Very low | 47.9 | Very low | 213 Ų | 213 | 136 Ų | 136 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | trans | -128 | 91.8 | 153.8 | -97 | -177.4 | 177.1 | 175.1 | 0 | 107.7 | ||||
| 228 | K | 37.2 | Very low | 45.8 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -101.9 | 115.6 | 156.7 | -123.1 | 179.9 | -176.9 | 178.7 | 0 | 106.2 | ||||
| 229 | P | 38.3 | Very low | 44.3 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -77.1 | 134.4 | 178.6 | 14.3 | -4.1 | 0 | 0 | 0 | 110.1 | ||||
| 230 | K | 41.2 | Very low | 42.7 | Very low | 207 Ų | 207 | 146.3 Ų | 146.3 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | trans | -122.8 | 135.8 | 162 | -100 | -173.1 | 175 | -176.4 | 0 | 109.1 | ||||
| 231 | E | 41.4 | Very low | 41.4 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 157.4 | -170.7 | -76.4 | 157.1 | 124.6 | 0 | 0 | 115.1 | ||
| 232 | P | 39.1 | Very low | 41.4 | Very low | 131 Ų | 131 | 160 Ų | 160 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 130.7 | 179.2 | 34.2 | -30.1 | 0 | 0 | 0 | 111.8 | ||
| 233 | A | 45.9 | Very low | 41.4 | Very low | 107 Ų | 107 | 157.1 Ų | 157.1 | 88% | 0.884 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 143.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 234 | A | 45.1 | Very low | 41.2 | Very low | 102 Ų | 102 | 159.2 Ų | 159.2 | 84% | 0.843 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 157.2 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 235 | K | 36.3 | Very low | 41.4 | Very low | 198 Ų | 198 | 158.7 Ų | 158.7 | 86% | 0.861 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 166.8 | 172.1 | -62.7 | 174.5 | 174.2 | 176.7 | 0 | 112.9 | ||
| 236 | P | 43.1 | Very low | 41.4 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 88% | 0.877 | 85% | 0.851 | S | S | * | * | -132.3 | 166.7 | 115.9 | 18.9 | 1.5 | 0 | 0 | 0 | 114.5 | |||||
| 237 | A | 45.6 | Very low | 41.8 | Very low | 97 Ų | 97 | 156.1 Ų | 156.1 | 80% | 0.802 | 85% | 0.848 | S | S | * | * | trans | -87.9 | 171.7 | -158.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 238 | P | 39.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 154 Ų | 154 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | trans | -103.2 | 164 | -165.6 | 38.9 | -29.4 | 0 | 0 | 0 | 114.4 | ||||
| 239 | E | 48.7 | Very low | 42 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -120.6 | 153.7 | 168.8 | -87.2 | -170.4 | 163.4 | 0 | 0 | 112.9 | ||||
| 240 | P | 42.6 | Very low | 42.1 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 74% | 0.74 | 84% | 0.84 | S | S | * | * | trans | -118.4 | 149.3 | -146.3 | 23.8 | -2.5 | 0 | 0 | 0 | 117.5 | ||||
| 241 | K | 39.9 | Very low | 41.8 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | trans | 45 | 128.6 | 141.3 | -64 | -176.7 | 177.8 | -178.8 | 0 | 122 | ||||
| 242 | K | 45.2 | Very low | 42 | Very low | 212 Ų | 212 | 149.4 Ų | 149.4 | 92% | 0.922 | 83% | 0.833 | S | S | * | * | -135.8 | 132.4 | 129.4 | -90.1 | -175.1 | 177.4 | 179 | 0 | 109.9 | |||||
| 243 | P | 44.7 | Very low | 42.2 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -107.6 | -169 | -175.9 | 45.9 | -37.7 | 0 | 0 | 0 | 111.8 | ||||
| 244 | P | 41.7 | Very low | 42.1 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | -125.2 | 173.1 | -93.3 | 34.4 | -14 | 0 | 0 | 0 | 113.2 | |||||
| 245 | E | 42.6 | Very low | 42.1 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -136 | 144.9 | 159.8 | -92.5 | -177.4 | 168.5 | 0 | 0 | 110 | ||||
| 246 | D | 38.7 | Very low | 42.5 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -62.1 | 147.5 | -170.1 | -70.7 | -53.8 | 0 | 0 | 0 | 114.3 | ||||
| 247 | D | 40.7 | Very low | 42.4 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | -175.6 | 148.4 | 105.9 | -103.6 | -27.7 | 0 | 0 | 0 | 112.3 | |||||
| 248 | E | 38.8 | Very low | 42.9 | Very low | 167 Ų | 167 | 152.8 Ų | 152.8 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -48.5 | 135.7 | -173 | -60.9 | 167.6 | 158 | 0 | 0 | 115.9 | ||||
| 249 | D | 42.7 | Very low | 44.3 | Very low | 152 Ų | 152 | 156.2 Ų | 156.2 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | 163.6 | 127 | 121.5 | -85.4 | -33.4 | 0 | 0 | 0 | 114.5 | |||||
| 250 | E | 39.7 | Very low | 45.8 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 53 | 106.7 | 157.5 | -61.4 | -165.1 | 153.4 | 0 | 0 | 121.8 | V252 | E250-V252 PolarHBondContact O-N 2.88Å; E250-V252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | D | 35 | Very low | 47.8 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -56.7 | 101.2 | 167.5 | -113.5 | -34.4 | 0 | 0 | 0 | 113.1 | ||||
| 252 | V | 46.7 | Very low | 50 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -115 | 119.1 | 154.8 | -173 | 0 | 0 | 0 | 0 | 107.6 | E250 A254 | E250-V252 PolarHBondContact O-N 2.88Å; E250-V252 VanDerWaalsContact O-N 3.16Å; V252-A254 PolarHBondContact O-N 3.31Å | ||
| 253 | P | 43.9 | Very low | 51.9 | Low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | trans | -59.2 | 111.3 | 176.6 | -21.7 | 31.7 | 0 | 0 | 0 | 110.7 | E255 | P253-E255 PolarHBondContact O-N 3.14Š| ||
| 254 | A | 43.5 | Very low | 53.8 | Low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | -70.7 | 114.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | V252 | V252-A254 PolarHBondContact O-N 3.31Š| ||
| 255 | E | 44.3 | Very low | 56 | Low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | trans | -55.5 | 145.3 | 164.5 | -76.8 | -174.8 | 159.1 | 0 | 0 | 110.4 | P253 K257 | P253-E255 PolarHBondContact O-N 3.14Å; E255-K257 PolarHBondContact O-N 2.92Å; E255-K257 VanDerWaalsContact O-N 3.11Å | ||
| 256 | P | 44.5 | Very low | 58.1 | Low | 121 Ų | 121 | 119.5 Ų | 119.5 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | trans | -54.3 | 120.6 | -177.1 | 20.3 | -31.2 | 0 | 0 | 0 | 111 | Q258 | P256-Q258 VanDerWaalsContact C-N 3.28Å; P256-Q258 PolarHBondContact O-N 2.89Å | ||
| 257 | K | 40.6 | Very low | 60.2 | Low | 205 Ų | 205 | 120.3 Ų | 120.3 | 89% | 0.891 | 65% | 0.652 | S | S | * | * | trans | -60.5 | 80.3 | -179.2 | -68.3 | -179.7 | 179.1 | 174.8 | 0 | 111.7 | E255 | E255-K257 PolarHBondContact O-N 2.92Å; E255-K257 VanDerWaalsContact O-N 3.11Å | ||
| 258 | Q | 57.5 | Low | 62.4 | Low | 131 Ų | 131 | 114.5 Ų | 114.5 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 127.9 | 157.5 | -73.7 | -172 | -2.4 | 0 | 0 | 108 | P256 D260 | P256-Q258 VanDerWaalsContact C-N 3.28Å; P256-Q258 PolarHBondContact O-N 2.89Å; Q258-D260 PolarHBondContact O-N 2.92Å |
| 259 | K | 68.3 | Low | 64.9 | Low | 195 Ų | 195 | 115.3 Ų | 115.3 | 85% | 0.848 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131.9 | -179.7 | -69.6 | 178.1 | 176.8 | 178.5 | 0 | 110.1 | P261 | K259-P261 VanDerWaalsContact O-CD 3.29Å; K259-P261 WeakPolarHBondContact O-CD 3.27Å |
| 260 | D | 80.5 | Confident | 67.3 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 39% | 0.39 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 117.7 | 172.5 | 173.1 | 12.3 | 0 | 0 | 0 | 109.1 | Q258 F262 A263 | Q258-D260 PolarHBondContact O-N 2.92Å; D260-F262 PolarHBondContact O-N 3.33Å; D260-F262 VanDerWaalsContact O-N 3.1Å; D260-F262 PolarHBondContact OD1-N 2.91Å; D260-A263 HydrophobicContact CB-CB 4.22Å; D260-A263 WeakPolarHBondContact O-CB 3.37Å; D260-A263 PolarHBondContact O-N 3.1Å |
| 261 | P | 84.2 | Confident | 69.8 | Low | 27 Ų | 27 | 103.9 Ų | 103.9 | 18% | 0.175 | 57% | 0.573 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -20.7 | -178.5 | -24 | 35 | 0 | 0 | 0 | 113.7 | K259 L368 W372 | K259-P261 VanDerWaalsContact O-CD 3.29Å; K259-P261 WeakPolarHBondContact O-CD 3.27Å; P261-L368 HydrophobicContact CB-CB 3.84Å; P261-W372 HydrophobicContact CB-CH2 3.6Å; P261-W372 HydrophobicContact CB-CZ2 4.41Å; P261-W372 HydrophobicContact CB-CZ3 3.95Å; P261-W372 HydrophobicContact CG-CH2 3.59Å; P261-W372 HydrophobicContact CG-CZ2 3.9Å; P261-W372 HydrophobicContact CG-CZ3 4.3Å |
| 262 | F | 87.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 96.2 Ų | 96.2 | 0% | 0 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.8 | 176.8 | -70 | -85 | 0 | 0 | 0 | 114 | D260 A264 F265 M334 N337 W359 R360 A365 L368 W372 | D260-F262 PolarHBondContact O-N 3.33Å; D260-F262 VanDerWaalsContact O-N 3.1Å; D260-F262 PolarHBondContact OD1-N 2.91Å; F262-A264 PolarHBondContact O-N 3.12Å; F262-F265 HydrophobicContact CB-CD2 4.41Å; F262-F265 HydrophobicContact CD1-CD2 4Å; F262-F265 HydrophobicContact CD1-CE2 4.38Å; F262-F265 PolarHBondContact O-N 3.01Å; F262-M334 HydrophobicContact CE2-CG 3.96Å; F262-M334 HydrophobicContact CZ-CE 4.33Å; F262-M334 HydrophobicContact CZ-CG 3.95Å; F262-N337 HydrophobicContact CB-CB 4.38Å; F262-N337 HydrophobicContact CD1-CB 4.02Å; F262-N337 HydrophobicContact CD2-CB 3.55Å; F262-N337 VanDerWaalsContact CD2-ND2 3.34Å; F262-N337 WeakPolarHBondContact CD2-ND2 3.41Å; F262-N337 HydrophobicContact CE1-CB 4.15Å; F262-N337 HydrophobicContact CE2-CB 3.67Å; F262-N337 HydrophobicContact CG-CB 3.71Å; F262-N337 HydrophobicContact CZ-CB 3.98Å; F262-W359 HydrophobicContact CE1-CB 4.3Å; F262-W359 HydrophobicContact CZ-CB 4.48Å; F262-R360 HydrophobicContact CD1-CB 4Å; F262-R360 WeakPolarHBondContact CD1-O 3.49Å; F262-R360 HydrophobicContact CE1-CB 4.43Å; F262-R360 WeakPolarHBondContact CE1-O 3.41Å; F262-R360 PolarHBondContact O-NH2 3Å; F262-A365 HydrophobicContact CE1-CB 4.14Å; F262-A365 HydrophobicContact CZ-CB 3.94Å; F262-L368 HydrophobicContact CD1-CD1 4.11Å; F262-L368 HydrophobicContact CE1-CD1 3.89Å; F262-L368 HydrophobicContact CZ-CD1 4.25Å; F262-W372 AromaticContact CD2-CH2 3.92Å; F262-W372 HydrophobicContact CD2-CH2 3.92Å; F262-W372 HydrophobicContact CD2-CZ3 4.49Å; F262-W372 AromaticContact CE2-CH2 3.36Å; F262-W372 HydrophobicContact CE2-CH2 3.36Å; F262-W372 HydrophobicContact CE2-CZ2 4.38Å; F262-W372 AromaticContact CE2-CZ3 3.74Å; F262-W372 HydrophobicContact CE2-CZ3 3.74Å; F262-W372 HydrophobicContact CZ-CH2 4.18Å; F262-W372 HydrophobicContact CZ-CZ3 4.09Å |
| 263 | A | 84.6 | Confident | 74.8 | Confident | 69 Ų | 69 | 95.7 Ų | 95.7 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D260 | D260-A263 HydrophobicContact CB-CB 4.22Å; D260-A263 WeakPolarHBondContact O-CB 3.37Å; D260-A263 PolarHBondContact O-N 3.1Å |
| 264 | A | 83.9 | Confident | 77.2 | Confident | 94 Ų | 94 | 90.7 Ų | 90.7 | 78% | 0.777 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | F262 | F262-A264 PolarHBondContact O-N 3.12Š|
| 265 | F | 87.3 | Confident | 79.7 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 16% | 0.162 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -87.9 | 142.4 | -179.5 | -57.4 | -70.6 | 0 | 0 | 0 | 111 | F262 R360 L368 | F262-F265 HydrophobicContact CB-CD2 4.41Å; F262-F265 HydrophobicContact CD1-CD2 4Å; F262-F265 HydrophobicContact CD1-CE2 4.38Å; F262-F265 PolarHBondContact O-N 3.01Å; F265-R360 HydrophobicContact CB-CG 4.11Å; F265-R360 PolarHBondContact O-NE 3.38Å; F265-R360 PolarHBondContact O-NH2 2.86Å; F265-L368 HydrophobicContact CE2-CD1 3.6Å; F265-L368 HydrophobicContact CE2-CD2 3.81Å; F265-L368 HydrophobicContact CE2-CG 4.36Å; F265-L368 HydrophobicContact CZ-CD1 4.25Å; F265-L368 HydrophobicContact CZ-CD2 3.82Å |
| 266 | P | 87.8 | Confident | 82.2 | Confident | 81 Ų | 81 | 78.7 Ų | 78.7 | 53% | 0.526 | 42% | 0.418 | S | S | . | . | trans | -57.4 | 147.7 | 171.8 | -16.9 | 28.3 | 0 | 0 | 0 | 110.9 | G268 N300 R360 | P266-G268 PolarHBondContact O-N 3.38Å; P266-N300 WeakPolarHBondContact CB-OD1 3.19Å; P266-R360 VanDerWaalsContact O-CD 3.23Å; P266-R360 WeakPolarHBondContact O-CD 3.07Å; P266-R360 PolarHBondContact O-NE 3.47Å; P266-R360 VanDerWaalsContact O-NE 3.17Å | ||
| 267 | K | 81.8 | Confident | 84.6 | Confident | 169 Ų | 169 | 79.7 Ų | 79.7 | 74% | 0.735 | 41% | 0.406 | S | S | * | . | trans | -63.4 | -28.1 | -178 | -167.2 | 176.7 | 178.5 | -176.2 | 0 | 112.6 | Y301 | K267-Y301 WeakPolarHBondContact O-CE2 3.33Å; K267-Y301 PolarHBondContact O-OH 3.09Å; K267-Y301 VanDerWaalsContact O-OH 3.1Å | ||
| 268 | G | 87.3 | Confident | 87.2 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | trans | 66.9 | -176 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P266 D297 N300 | P266-G268 PolarHBondContact O-N 3.38Å; G268-D297 WeakPolarHBondContact CA-OD2 3.37Å; G268-N300 WeakPolarHBondContact CA-ND2 3.2Å | ||
| 269 | K | 90.9 | Very high | 89 | Confident | 185 Ų | 185 | 66.2 Ų | 66.2 | 80% | 0.804 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -95 | -17.8 | 177.9 | -64.5 | 176 | -175.8 | 167.3 | 0 | 113.4 | D271 D297 | K269-D271 PolarHBondContact O-N 3.01Å; K269-D297 HydrophobicContact CB-CB 4.45Å; K269-D297 PolarHBondContact N-OD2 3.3Å |
| 270 | F | 93.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | trans | -76.8 | 118.9 | -178.7 | -178.9 | -123.4 | 0 | 0 | 0 | 111.5 | M272 F275 F292 H295 D297 Y301 | F270-M272 HydrophobicContact CD1-CE 4.18Å; F270-M272 HydrophobicContact CE1-CE 3.69Å; F270-M272 HydrophobicContact CE1-SD 3.9Å; F270-M272 PolarHBondContact O-N 3.18Å; F270-F275 HydrophobicContact CE2-CB 3.8Å; F270-F275 HydrophobicContact CE2-CG 4.17Å; F270-F275 HydrophobicContact CZ-CB 3.58Å; F270-F275 AromaticContact CZ-CD1 3.79Å; F270-F275 HydrophobicContact CZ-CD1 3.79Å; F270-F275 AromaticContact CZ-CG 3.7Å; F270-F275 HydrophobicContact CZ-CG 3.7Å; F270-F292 HydrophobicContact CE1-CE2 4.47Å; F270-F292 HydrophobicContact CE2-CD2 4.12Å; F270-F292 HydrophobicContact CE2-CE2 4.44Å; F270-F292 AromaticContact CZ-CD2 3.83Å; F270-F292 HydrophobicContact CZ-CD2 3.83Å; F270-F292 AromaticContact CZ-CE2 3.95Å; F270-F292 HydrophobicContact CZ-CE2 3.95Å; F270-H295 HydrophobicContact CD2-CB 3.97Å; F270-H295 WeakPolarHBondContact CD2-O 3.5Å; F270-H295 HydrophobicContact CE2-CB 4.34Å; F270-D297 HydrophobicContact CB-CB 3.84Å; F270-Y301 HydrophobicContact CB-CD2 3.81Å; F270-Y301 HydrophobicContact CB-CE2 3.71Å; F270-Y301 HydrophobicContact CB-CG 4.39Å; F270-Y301 AromaticContact CD1-CD1 3.81Å; F270-Y301 HydrophobicContact CD1-CD1 3.81Å; F270-Y301 HydrophobicContact CD1-CD2 4.25Å; F270-Y301 AromaticContact CD1-CE1 3.85Å; F270-Y301 HydrophobicContact CD1-CE1 3.85Å; F270-Y301 HydrophobicContact CD1-CE2 4.29Å; F270-Y301 HydrophobicContact CD1-CG 4.03Å; F270-Y301 PolarHBondContact O-OH 3.05Å | ||
| 271 | D | 93.2 | Very high | 90.8 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | trans | -87.1 | 97.4 | 172.7 | -173.4 | -19.4 | 0 | 0 | 0 | 110.4 | K269 E273 A274 F275 | K269-D271 PolarHBondContact O-N 3.01Å; D271-E273 VanDerWaalsContact C-N 3.31Å; D271-E273 PolarHBondContact O-N 3.41Å; D271-E273 PolarHBondContact OD1-N 3.47Å; D271-A274 HydrophobicContact CB-CB 3.78Å; D271-A274 VanDerWaalsContact CG-CB 3.42Å; D271-A274 PolarHBondContact O-N 2.99Å; D271-A274 PolarHBondContact OD1-N 2.82Å; D271-F275 PolarHBondContact O-N 2.95Å | ||
| 272 | M | 93.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 179.1 | -175.5 | 65.9 | 72.7 | 0 | 0 | 112.8 | F270 K276 Y301 F339 I358 | F270-M272 HydrophobicContact CD1-CE 4.18Å; F270-M272 HydrophobicContact CE1-CE 3.69Å; F270-M272 HydrophobicContact CE1-SD 3.9Å; F270-M272 PolarHBondContact O-N 3.18Å; M272-K276 HydrophobicContact CG-CD 4.25Å; M272-K276 WeakPolarHBondContact O-CB 3.41Å; M272-K276 WeakPolarHBondContact O-CD 3.43Å; M272-K276 WeakPolarHBondContact O-CG 3.21Å; M272-K276 PolarHBondContact O-N 3.48Å; M272-Y301 HydrophobicContact CE-CD1 3.96Å; M272-Y301 HydrophobicContact CE-CE1 3.78Å; M272-F339 HydrophobicContact SD-CB 3.65Å; M272-I358 HydrophobicContact CE-CG2 4.05Å |
| 273 | E | 92.6 | Very high | 91.6 | Very high | 110 Ų | 110 | 68.7 Ų | 68.7 | 51% | 0.514 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 179.6 | -72.4 | -166.2 | 168.4 | 0 | 0 | 111.4 | D271 K276 R277 | D271-E273 VanDerWaalsContact C-N 3.31Å; D271-E273 PolarHBondContact O-N 3.41Å; D271-E273 PolarHBondContact OD1-N 3.47Å; E273-K276 PolarHBondContact O-N 3.42Å; E273-R277 WeakPolarHBondContact O-CB 3.3Å; E273-R277 PolarHBondContact O-N 3.22Å |
| 274 | A | 94.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 67 Ų | 67 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D271 K276 R277 V278 Y291 | D271-A274 HydrophobicContact CB-CB 3.78Å; D271-A274 VanDerWaalsContact CG-CB 3.42Å; D271-A274 PolarHBondContact O-N 2.99Å; D271-A274 PolarHBondContact OD1-N 2.82Å; A274-K276 VanDerWaalsContact C-N 3.35Å; A274-K276 PolarHBondContact O-N 2.83Å; A274-R277 WeakPolarHBondContact O-CB 3.32Å; A274-R277 PolarHBondContact O-N 3.16Å; A274-R277 VanDerWaalsContact O-N 3.14Å; A274-V278 WeakPolarHBondContact O-CG2 3.05Å; A274-V278 PolarHBondContact O-N 2.94Å; A274-Y291 WeakPolarHBondContact CB-OH 3.28Å |
| 275 | F | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 175.2 | 169 | -115.4 | 0 | 0 | 0 | 112 | F270 D271 R277 V278 Y279 Y291 F292 F339 F399 | F270-F275 HydrophobicContact CE2-CB 3.8Å; F270-F275 HydrophobicContact CE2-CG 4.17Å; F270-F275 HydrophobicContact CZ-CB 3.58Å; F270-F275 AromaticContact CZ-CD1 3.79Å; F270-F275 HydrophobicContact CZ-CD1 3.79Å; F270-F275 AromaticContact CZ-CG 3.7Å; F270-F275 HydrophobicContact CZ-CG 3.7Å; D271-F275 PolarHBondContact O-N 2.95Å; F275-R277 VanDerWaalsContact C-N 3.27Å; F275-R277 PolarHBondContact O-N 3.21Å; F275-V278 PolarHBondContact O-N 3.42Å; F275-Y279 HydrophobicContact CE2-CD2 4.44Å; F275-Y279 HydrophobicContact CZ-CD2 4.11Å; F275-Y279 HydrophobicContact CZ-CG 4.42Å; F275-Y279 WeakPolarHBondContact O-CB 3.3Å; F275-Y279 PolarHBondContact O-N 3.4Å; F275-Y291 HydrophobicContact CB-CD1 4.33Å; F275-Y291 HydrophobicContact CB-CE1 4.07Å; F275-Y291 HydrophobicContact CD2-CD1 4.09Å; F275-F292 HydrophobicContact CD2-CB 4.02Å; F275-F292 HydrophobicContact CD2-CD2 4.31Å; F275-F292 HydrophobicContact CE1-CD2 4.34Å; F275-F292 HydrophobicContact CE2-CB 3.63Å; F275-F292 HydrophobicContact CE2-CD2 4.12Å; F275-F292 HydrophobicContact CE2-CG 4.21Å; F275-F292 HydrophobicContact CZ-CB 4.27Å; F275-F292 HydrophobicContact CZ-CD2 4.13Å; F275-F292 HydrophobicContact CZ-CG 4.41Å; F275-F339 HydrophobicContact CD1-CG 4.42Å; F275-F339 HydrophobicContact CE1-CB 4.41Å; F275-F339 AromaticContact CE1-CD1 3.71Å; F275-F339 HydrophobicContact CE1-CD1 3.71Å; F275-F339 HydrophobicContact CE1-CD2 4.02Å; F275-F339 AromaticContact CE1-CE1 3.86Å; F275-F339 HydrophobicContact CE1-CE1 3.86Å; F275-F339 HydrophobicContact CE1-CE2 4.15Å; F275-F339 AromaticContact CE1-CG 3.78Å; F275-F339 HydrophobicContact CE1-CG 3.78Å; F275-F339 HydrophobicContact CE1-CZ 4.07Å; F275-F339 HydrophobicContact CZ-CD1 4.41Å; F275-F339 HydrophobicContact CZ-CE1 4.16Å; F275-F339 HydrophobicContact CZ-CZ 4.31Å; F275-F399 HydrophobicContact CE1-CE2 4.15Å; F275-F399 HydrophobicContact CZ-CD2 4.04Å; F275-F399 AromaticContact CZ-CE2 3.56Å; F275-F399 HydrophobicContact CZ-CE2 3.56Å; F275-F399 HydrophobicContact CZ-CZ 4.41Å |
| 276 | K | 95.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 7% | 0.065 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 177.2 | -76.5 | 169.4 | 178 | -171.1 | 0 | 113.2 | M272 E273 A274 S280 R335 A338 F339 K417 | M272-K276 HydrophobicContact CG-CD 4.25Å; M272-K276 WeakPolarHBondContact O-CB 3.41Å; M272-K276 WeakPolarHBondContact O-CD 3.43Å; M272-K276 WeakPolarHBondContact O-CG 3.21Å; M272-K276 PolarHBondContact O-N 3.48Å; E273-K276 PolarHBondContact O-N 3.42Å; A274-K276 VanDerWaalsContact C-N 3.35Å; A274-K276 PolarHBondContact O-N 2.83Å; K276-S280 VanDerWaalsContact O-CB 3.32Å; K276-S280 WeakPolarHBondContact O-CB 3.26Å; K276-S280 PolarHBondContact O-N 2.89Å; K276-S280 PolarHBondContact O-OG 3.18Å; K276-R335 PolarHBondContact NZ-O 3.49Å; K276-A338 WeakPolarHBondContact CE-O 3.16Å; K276-A338 PolarHBondContact NZ-O 3.27Å; K276-F339 HydrophobicContact CG-CD2 3.86Å; K276-F339 HydrophobicContact CG-CE2 4.47Å; K276-K417 HydrophobicContact CD-CB 3.91Å; K276-K417 WeakPolarHBondContact CD-OXT 3.28Å; K276-K417 WeakPolarHBondContact CE-OXT 3.37Å; K276-K417 HydrophobicContact CG-CB 3.95Å; K276-K417 PolarHBondContact NZ-OXT 3.3Å |
| 277 | R | 94.8 | Very high | 93.1 | Very high | 142 Ų | 142 | 70 Ų | 70 | 54% | 0.536 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 176 | -170.9 | -178.6 | -62.3 | 111.6 | 3.2 | 110.7 | E273 A274 F275 S280 N281 | E273-R277 WeakPolarHBondContact O-CB 3.3Å; E273-R277 PolarHBondContact O-N 3.22Å; A274-R277 WeakPolarHBondContact O-CB 3.32Å; A274-R277 PolarHBondContact O-N 3.16Å; A274-R277 VanDerWaalsContact O-N 3.14Å; F275-R277 VanDerWaalsContact C-N 3.27Å; F275-R277 PolarHBondContact O-N 3.21Å; R277-S280 PolarHBondContact O-N 3.03Å; R277-N281 WeakPolarHBondContact O-CB 3.49Å; R277-N281 PolarHBondContact O-N 2.9Å; R277-N281 VanDerWaalsContact O-N 3.14Å; R277-N281 PolarHBondContact O-ND2 2.97Å |
| 278 | V | 95.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 61.9 Ų | 61.9 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -52.2 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | A274 F275 S280 N281 E282 A288 Y291 | A274-V278 WeakPolarHBondContact O-CG2 3.05Å; A274-V278 PolarHBondContact O-N 2.94Å; F275-V278 PolarHBondContact O-N 3.42Å; V278-S280 PolarHBondContact O-N 3Å; V278-S280 VanDerWaalsContact O-N 3.14Å; V278-N281 PolarHBondContact O-N 3.16Å; V278-E282 HydrophobicContact CG1-CB 4.16Å; V278-E282 HydrophobicContact CG1-CG 4.24Å; V278-E282 VanDerWaalsContact O-CB 3.29Å; V278-E282 WeakPolarHBondContact O-CB 3.48Å; V278-E282 PolarHBondContact O-N 3.19Å; V278-A288 HydrophobicContact CG1-CB 4.15Å; V278-Y291 HydrophobicContact CB-CD1 4.4Å; V278-Y291 HydrophobicContact CB-CG 4.42Å; V278-Y291 HydrophobicContact CG1-CG 4.18Å; V278-Y291 HydrophobicContact CG2-CD1 4.22Å; V278-Y291 HydrophobicContact CG2-CD2 4.08Å; V278-Y291 HydrophobicContact CG2-CE1 4.22Å; V278-Y291 HydrophobicContact CG2-CE2 4.09Å; V278-Y291 HydrophobicContact CG2-CG 4.15Å |
| 279 | Y | 95.9 | Very high | 94.2 | Very high | 22 Ų | 22 | 61 Ų | 61 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -29.9 | 178.8 | -174.6 | -86.2 | 0 | 0 | 0 | 113.4 | F275 T284 A288 F339 F399 I415 | F275-Y279 HydrophobicContact CE2-CD2 4.44Å; F275-Y279 HydrophobicContact CZ-CD2 4.11Å; F275-Y279 HydrophobicContact CZ-CG 4.42Å; F275-Y279 WeakPolarHBondContact O-CB 3.3Å; F275-Y279 PolarHBondContact O-N 3.4Å; Y279-T284 HydrophobicContact CD2-CG2 4.27Å; Y279-T284 HydrophobicContact CE2-CG2 3.66Å; Y279-A288 HydrophobicContact CD2-CB 4.02Å; Y279-F339 AromaticContact CD1-CE2 3.88Å; Y279-F339 HydrophobicContact CD1-CE2 3.88Å; Y279-F339 AromaticContact CD1-CZ 3.7Å; Y279-F339 HydrophobicContact CD1-CZ 3.7Å; Y279-F339 HydrophobicContact CD2-CZ 4.02Å; Y279-F339 HydrophobicContact CE1-CE2 4.28Å; Y279-F339 AromaticContact CE1-CZ 3.78Å; Y279-F339 HydrophobicContact CE1-CZ 3.78Å; Y279-F339 HydrophobicContact CE2-CZ 4.09Å; Y279-F339 HydrophobicContact CG-CE2 4.15Å; Y279-F339 AromaticContact CG-CZ 3.84Å; Y279-F339 HydrophobicContact CG-CZ 3.84Å; Y279-F339 AromaticContact CZ-CZ 3.98Å; Y279-F399 HydrophobicContact CE2-CB 3.97Å; Y279-F399 HydrophobicContact CE2-CD2 4.44Å; Y279-F399 HydrophobicContact CE2-CG 4.29Å; Y279-F399 PolarHBondContact OH-O 3.33Å; Y279-I415 HydrophobicContact CE1-CD1 3.91Å; Y279-I415 HydrophobicContact CE1-CG1 3.91Å; Y279-I415 HydrophobicContact CE1-CG2 4.16Å; Y279-I415 VanDerWaalsContact OH-CD1 3.26Å; Y279-I415 WeakPolarHBondContact OH-CD1 3.47Å |
| 280 | S | 93.9 | Very high | 94.5 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -83 | -28.5 | -179.3 | -57 | 0 | 0 | 0 | 0 | 114.2 | K276 R277 V278 K417 | K276-S280 VanDerWaalsContact O-CB 3.32Å; K276-S280 WeakPolarHBondContact O-CB 3.26Å; K276-S280 PolarHBondContact O-N 2.89Å; K276-S280 PolarHBondContact O-OG 3.18Å; R277-S280 PolarHBondContact O-N 3.03Å; V278-S280 PolarHBondContact O-N 3Å; V278-S280 VanDerWaalsContact O-N 3.14Å; S280-K417 PolarHBondContact OG-NZ 2.85Å |
| 281 | N | 93.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -114.6 | -17 | -165.9 | -64.3 | -13.6 | 0 | 0 | 0 | 113.2 | R277 V278 | R277-N281 WeakPolarHBondContact O-CB 3.49Å; R277-N281 PolarHBondContact O-N 2.9Å; R277-N281 VanDerWaalsContact O-N 3.14Å; R277-N281 PolarHBondContact O-ND2 2.97Å; V278-N281 PolarHBondContact O-N 3.16Å |
| 282 | E | 94.4 | Very high | 94.8 | Very high | 88 Ų | 88 | 53.5 Ų | 53.5 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -119.4 | 164.7 | -173.9 | -62.3 | -69.2 | 179.6 | 0 | 0 | 111 | V278 T284 K287 | V278-E282 HydrophobicContact CG1-CB 4.16Å; V278-E282 HydrophobicContact CG1-CG 4.24Å; V278-E282 VanDerWaalsContact O-CB 3.29Å; V278-E282 WeakPolarHBondContact O-CB 3.48Å; V278-E282 PolarHBondContact O-N 3.19Å; E282-T284 PolarHBondContact O-N 3.45Å; E282-K287 HydrophobicContact CB-CB 3.98Å; E282-K287 HydrophobicContact CB-CD 3.82Å; E282-K287 HydrophobicContact CG-CD 4.13Å; E282-K287 IonicContact OE1-NZ 2.72Å; E282-K287 WeakPolarHBondContact OE2-CD 3.26Å; E282-K287 WeakPolarHBondContact OE2-CE 3.32Å; E282-K287 IonicContact OE2-NZ 3.18Å; E282-K287 PolarHBondContact OE2-NZ 2.86Å |
| 283 | D | 93.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | trans | -62.4 | 130 | 176.4 | 179.9 | -100.9 | 0 | 0 | 0 | 111.7 | I285 T286 K287 A288 | D283-I285 PolarHBondContact O-N 2.93Å; D283-I285 PolarHBondContact OD1-N 3.27Å; D283-T286 WeakPolarHBondContact CB-OG1 3.43Å; D283-T286 VanDerWaalsContact CG-OG1 3.31Å; D283-T286 WeakPolarHBondContact OD1-CB 3.49Å; D283-T286 WeakPolarHBondContact OD1-CG2 3.45Å; D283-T286 PolarHBondContact OD1-N 2.93Å; D283-T286 PolarHBondContact OD1-OG1 3.46Å; D283-K287 WeakPolarHBondContact O-CB 3.39Å; D283-K287 PolarHBondContact O-N 3Å; D283-K287 VanDerWaalsContact O-N 3.07Å; D283-A288 PolarHBondContact O-N 3.37Å | ||
| 284 | T | 93.7 | Very high | 95.1 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -65.1 | -44.6 | -172.2 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | Y279 E282 A288 L289 F399 A400 | Y279-T284 HydrophobicContact CD2-CG2 4.27Å; Y279-T284 HydrophobicContact CE2-CG2 3.66Å; E282-T284 PolarHBondContact O-N 3.45Å; T284-A288 PolarHBondContact O-N 3.3Å; T284-L289 WeakPolarHBondContact O-CB 3.49Å; T284-L289 PolarHBondContact O-N 3.23Å; T284-F399 HydrophobicContact CG2-CB 4.33Å; T284-F399 WeakPolarHBondContact CG2-O 3.38Å; T284-A400 HydrophobicContact CG2-CB 4.37Å |
| 285 | I | 92.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 61.6 Ų | 61.6 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -76.9 | -48.5 | -172.2 | -59.9 | 178.3 | 0 | 0 | 0 | 110.4 | D283 P290 A400 | D283-I285 PolarHBondContact O-N 2.93Å; D283-I285 PolarHBondContact OD1-N 3.27Å; I285-P290 VanDerWaalsContact O-CD 3.31Å; I285-P290 WeakPolarHBondContact O-CD 3.49Å; I285-A400 HydrophobicContact CD1-CB 4.32Å; I285-A400 HydrophobicContact CG1-CB 3.96Å |
| 286 | T | 93.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 62.5 Ų | 62.5 | 60% | 0.595 | 31% | 0.309 | S | S | * | . | I | π-helix | trans | -87.2 | -18.6 | -171.4 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | D283 | D283-T286 WeakPolarHBondContact CB-OG1 3.43Å; D283-T286 VanDerWaalsContact CG-OG1 3.31Å; D283-T286 WeakPolarHBondContact OD1-CB 3.49Å; D283-T286 WeakPolarHBondContact OD1-CG2 3.45Å; D283-T286 PolarHBondContact OD1-N 2.93Å; D283-T286 PolarHBondContact OD1-OG1 3.46Å |
| 287 | K | 95.3 | Very high | 95.1 | Very high | 105 Ų | 105 | 62.2 Ų | 62.2 | 46% | 0.457 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -127.7 | -54.5 | -177 | -64.2 | -178.9 | 176.8 | -174.1 | 0 | 113.6 | E282 D283 P290 Y291 | E282-K287 HydrophobicContact CB-CB 3.98Å; E282-K287 HydrophobicContact CB-CD 3.82Å; E282-K287 HydrophobicContact CG-CD 4.13Å; E282-K287 IonicContact OE1-NZ 2.72Å; E282-K287 WeakPolarHBondContact OE2-CD 3.26Å; E282-K287 WeakPolarHBondContact OE2-CE 3.32Å; E282-K287 IonicContact OE2-NZ 3.18Å; E282-K287 PolarHBondContact OE2-NZ 2.86Å; D283-K287 WeakPolarHBondContact O-CB 3.39Å; D283-K287 PolarHBondContact O-N 3Å; D283-K287 VanDerWaalsContact O-N 3.07Å; K287-P290 WeakPolarHBondContact O-CD 3.36Å; K287-Y291 VanDerWaalsContact O-CB 3.25Å; K287-Y291 WeakPolarHBondContact O-CB 3.22Å; K287-Y291 PolarHBondContact O-N 2.69Å |
| 288 | A | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -68.7 | -41.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V278 Y279 D283 T284 Y291 F292 | V278-A288 HydrophobicContact CG1-CB 4.15Å; Y279-A288 HydrophobicContact CD2-CB 4.02Å; D283-A288 PolarHBondContact O-N 3.37Å; T284-A288 PolarHBondContact O-N 3.3Å; A288-Y291 PolarHBondContact O-N 2.92Å; A288-F292 WeakPolarHBondContact O-CB 3.26Å; A288-F292 PolarHBondContact O-N 3.47Å |
| 289 | L | 95.8 | Very high | 95 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 176.3 | -83.5 | 170.3 | 0 | 0 | 0 | 112.8 | T284 Y291 F292 W293 V395 E396 F399 | T284-L289 WeakPolarHBondContact O-CB 3.49Å; T284-L289 PolarHBondContact O-N 3.23Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 3.12Å; L289-F292 WeakPolarHBondContact O-CB 3.49Å; L289-F292 PolarHBondContact O-N 3.41Å; L289-W293 VanDerWaalsContact O-CD1 3.24Å; L289-W293 PolarHBondContact O-N 2.81Å; L289-W293 VanDerWaalsContact O-N 3.09Å; L289-V395 HydrophobicContact CD2-CG1 4.03Å; L289-E396 HydrophobicContact CD1-CB 4.07Å; L289-E396 HydrophobicContact CD1-CG 3.8Å; L289-F399 HydrophobicContact CD2-CB 3.99Å; L289-F399 HydrophobicContact CD2-CD2 3.89Å; L289-F399 HydrophobicContact CD2-CG 4.31Å; L289-F399 HydrophobicContact CG-CB 4.44Å |
| 290 | P | 96.6 | Very high | 95 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.6 | -46.6 | 170.5 | -29.7 | 36.2 | 0 | 0 | 0 | 112.7 | I285 K287 F292 W293 E294 | I285-P290 VanDerWaalsContact O-CD 3.31Å; I285-P290 WeakPolarHBondContact O-CD 3.49Å; K287-P290 WeakPolarHBondContact O-CD 3.36Å; P290-F292 VanDerWaalsContact C-N 3.31Å; P290-F292 PolarHBondContact O-N 3.18Å; P290-W293 PolarHBondContact O-N 3Å; P290-E294 WeakPolarHBondContact O-CB 3.4Å; P290-E294 PolarHBondContact O-N 3.22Å |
| 291 | Y | 96.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 177.7 | -175.7 | -84.4 | 0 | 0 | 0 | 111.8 | A274 F275 V278 K287 A288 L289 E294 H295 | A274-Y291 WeakPolarHBondContact CB-OH 3.28Å; F275-Y291 HydrophobicContact CB-CD1 4.33Å; F275-Y291 HydrophobicContact CB-CE1 4.07Å; F275-Y291 HydrophobicContact CD2-CD1 4.09Å; V278-Y291 HydrophobicContact CB-CD1 4.4Å; V278-Y291 HydrophobicContact CB-CG 4.42Å; V278-Y291 HydrophobicContact CG1-CG 4.18Å; V278-Y291 HydrophobicContact CG2-CD1 4.22Å; V278-Y291 HydrophobicContact CG2-CD2 4.08Å; V278-Y291 HydrophobicContact CG2-CE1 4.22Å; V278-Y291 HydrophobicContact CG2-CE2 4.09Å; V278-Y291 HydrophobicContact CG2-CG 4.15Å; K287-Y291 VanDerWaalsContact O-CB 3.25Å; K287-Y291 WeakPolarHBondContact O-CB 3.22Å; K287-Y291 PolarHBondContact O-N 2.69Å; A288-Y291 PolarHBondContact O-N 2.92Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 3.12Å; Y291-E294 PolarHBondContact O-N 3.34Å; Y291-H295 AromaticContact CD2-CE1 3.7Å; Y291-H295 AromaticContact CD2-ND1 3.82Å; Y291-H295 AromaticContact CE2-CE1 3.5Å; Y291-H295 AromaticContact CE2-ND1 3.8Å; Y291-H295 AromaticContact CE2-NE2 3.87Å; Y291-H295 AromaticContact CG-ND1 3.96Å; Y291-H295 AromaticContact CZ-CE1 3.95Å; Y291-H295 AromaticContact CZ-ND1 3.93Å; Y291-H295 WeakPolarHBondContact O-CB 3.44Å; Y291-H295 PolarHBondContact O-N 2.91Å; Y291-H295 VanDerWaalsContact O-N 3.13Å; Y291-H295 PolarHBondContact O-ND1 2.72Å |
| 292 | F | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.2 | -55.9 | 176.2 | 175.1 | -109.6 | 0 | 0 | 0 | 111.1 | F270 F275 A288 L289 P290 E294 H295 F296 I303 I358 V395 F399 | F270-F292 HydrophobicContact CE1-CE2 4.47Å; F270-F292 HydrophobicContact CE2-CD2 4.12Å; F270-F292 HydrophobicContact CE2-CE2 4.44Å; F270-F292 AromaticContact CZ-CD2 3.83Å; F270-F292 HydrophobicContact CZ-CD2 3.83Å; F270-F292 AromaticContact CZ-CE2 3.95Å; F270-F292 HydrophobicContact CZ-CE2 3.95Å; F275-F292 HydrophobicContact CD2-CB 4.02Å; F275-F292 HydrophobicContact CD2-CD2 4.31Å; F275-F292 HydrophobicContact CE1-CD2 4.34Å; F275-F292 HydrophobicContact CE2-CB 3.63Å; F275-F292 HydrophobicContact CE2-CD2 4.12Å; F275-F292 HydrophobicContact CE2-CG 4.21Å; F275-F292 HydrophobicContact CZ-CB 4.27Å; F275-F292 HydrophobicContact CZ-CD2 4.13Å; F275-F292 HydrophobicContact CZ-CG 4.41Å; A288-F292 WeakPolarHBondContact O-CB 3.26Å; A288-F292 PolarHBondContact O-N 3.47Å; L289-F292 WeakPolarHBondContact O-CB 3.49Å; L289-F292 PolarHBondContact O-N 3.41Å; P290-F292 VanDerWaalsContact C-N 3.31Å; P290-F292 PolarHBondContact O-N 3.18Å; F292-E294 VanDerWaalsContact C-N 3.33Å; F292-E294 PolarHBondContact O-N 3.33Å; F292-H295 PolarHBondContact O-N 2.81Å; F292-F296 HydrophobicContact CD2-CB 4.48Å; F292-F296 HydrophobicContact CD2-CD2 4.37Å; F292-F296 HydrophobicContact CE1-CB 4.44Å; F292-F296 HydrophobicContact CE1-CD2 4.4Å; F292-F296 HydrophobicContact CE1-CG 4.34Å; F292-F296 HydrophobicContact CE2-CB 4.05Å; F292-F296 AromaticContact CE2-CD2 3.3Å; F292-F296 HydrophobicContact CE2-CD2 3.3Å; F292-F296 AromaticContact CE2-CE2 3.99Å; F292-F296 HydrophobicContact CE2-CE2 3.99Å; F292-F296 AromaticContact CE2-CG 3.9Å; F292-F296 HydrophobicContact CE2-CG 3.9Å; F292-F296 HydrophobicContact CZ-CB 4.02Å; F292-F296 HydrophobicContact CZ-CD1 4.37Å; F292-F296 AromaticContact CZ-CD2 3.31Å; F292-F296 HydrophobicContact CZ-CD2 3.31Å; F292-F296 AromaticContact CZ-CE2 3.8Å; F292-F296 HydrophobicContact CZ-CE2 3.8Å; F292-F296 AromaticContact CZ-CG 3.63Å; F292-F296 HydrophobicContact CZ-CG 3.63Å; F292-F296 WeakPolarHBondContact O-CA 3.24Å; F292-F296 WeakPolarHBondContact O-CB 3.33Å; F292-F296 PolarHBondContact O-N 2.77Å; F292-I303 HydrophobicContact CE1-CD1 4.25Å; F292-I303 HydrophobicContact CZ-CD1 4.08Å; F292-I358 HydrophobicContact CD2-CD1 4.12Å; F292-I358 HydrophobicContact CE1-CD1 4.18Å; F292-I358 HydrophobicContact CE2-CD1 3.2Å; F292-I358 HydrophobicContact CZ-CD1 3.25Å; F292-V395 HydrophobicContact CD1-CG1 4.06Å; F292-V395 HydrophobicContact CE1-CG1 3.92Å; F292-F399 HydrophobicContact CD1-CE2 4.48Å; F292-F399 HydrophobicContact CG-CE2 4.37Å |
| 293 | W | 96.5 | Very high | 95.4 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 29% | 0.288 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.4 | -28.2 | -175.7 | -71.6 | 114 | 0 | 0 | 0 | 114.1 | L289 P290 I303 P386 K392 V395 | L289-W293 VanDerWaalsContact O-CD1 3.24Å; L289-W293 PolarHBondContact O-N 2.81Å; L289-W293 VanDerWaalsContact O-N 3.09Å; P290-W293 PolarHBondContact O-N 3Å; W293-I303 HydrophobicContact CH2-CD1 3.86Å; W293-I303 HydrophobicContact CZ3-CD1 4.28Å; W293-P386 HydrophobicContact CZ3-CB 4.25Å; W293-K392 HydrophobicContact CH2-CG 3.91Å; W293-K392 HydrophobicContact CZ2-CB 4.2Å; W293-K392 HydrophobicContact CZ2-CG 3.85Å; W293-K392 HydrophobicContact CZ3-CG 4.43Å; W293-V395 HydrophobicContact CH2-CG2 4.28Å; W293-V395 HydrophobicContact CZ2-CB 3.82Å; W293-V395 HydrophobicContact CZ2-CG1 3.93Å; W293-V395 HydrophobicContact CZ2-CG2 3.91Å |
| 294 | E | 95.9 | Very high | 95.6 | Very high | 155 Ų | 155 | 49.5 Ų | 49.5 | 72% | 0.724 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -69.1 | -36.8 | 174.3 | -176.1 | -179.6 | 179.6 | 0 | 0 | 112.3 | P290 Y291 F292 | P290-E294 WeakPolarHBondContact O-CB 3.4Å; P290-E294 PolarHBondContact O-N 3.22Å; Y291-E294 PolarHBondContact O-N 3.34Å; F292-E294 VanDerWaalsContact C-N 3.33Å; F292-E294 PolarHBondContact O-N 3.33Å |
| 295 | H | 96 | Very high | 95.8 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -103.5 | -13.2 | -173.5 | -64.1 | 76.5 | 0 | 0 | 0 | 113.9 | F270 Y291 F292 D297 | F270-H295 HydrophobicContact CD2-CB 3.97Å; F270-H295 WeakPolarHBondContact CD2-O 3.5Å; F270-H295 HydrophobicContact CE2-CB 4.34Å; Y291-H295 AromaticContact CD2-CE1 3.7Å; Y291-H295 AromaticContact CD2-ND1 3.82Å; Y291-H295 AromaticContact CE2-CE1 3.5Å; Y291-H295 AromaticContact CE2-ND1 3.8Å; Y291-H295 AromaticContact CE2-NE2 3.87Å; Y291-H295 AromaticContact CG-ND1 3.96Å; Y291-H295 AromaticContact CZ-CE1 3.95Å; Y291-H295 AromaticContact CZ-ND1 3.93Å; Y291-H295 WeakPolarHBondContact O-CB 3.44Å; Y291-H295 PolarHBondContact O-N 2.91Å; Y291-H295 VanDerWaalsContact O-N 3.13Å; Y291-H295 PolarHBondContact O-ND1 2.72Å; F292-H295 PolarHBondContact O-N 2.81Å; H295-D297 PolarHBondContact O-N 3.06Å |
| 296 | F | 95.8 | Very high | 96 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | trans | -60.5 | 129.8 | -175.7 | -175.4 | -110.3 | 0 | 0 | 0 | 110.6 | F292 P298 I303 I358 P386 | F292-F296 HydrophobicContact CD2-CB 4.48Å; F292-F296 HydrophobicContact CD2-CD2 4.37Å; F292-F296 HydrophobicContact CE1-CB 4.44Å; F292-F296 HydrophobicContact CE1-CD2 4.4Å; F292-F296 HydrophobicContact CE1-CG 4.34Å; F292-F296 HydrophobicContact CE2-CB 4.05Å; F292-F296 AromaticContact CE2-CD2 3.3Å; F292-F296 HydrophobicContact CE2-CD2 3.3Å; F292-F296 AromaticContact CE2-CE2 3.99Å; F292-F296 HydrophobicContact CE2-CE2 3.99Å; F292-F296 AromaticContact CE2-CG 3.9Å; F292-F296 HydrophobicContact CE2-CG 3.9Å; F292-F296 HydrophobicContact CZ-CB 4.02Å; F292-F296 HydrophobicContact CZ-CD1 4.37Å; F292-F296 AromaticContact CZ-CD2 3.31Å; F292-F296 HydrophobicContact CZ-CD2 3.31Å; F292-F296 AromaticContact CZ-CE2 3.8Å; F292-F296 HydrophobicContact CZ-CE2 3.8Å; F292-F296 AromaticContact CZ-CG 3.63Å; F292-F296 HydrophobicContact CZ-CG 3.63Å; F292-F296 WeakPolarHBondContact O-CA 3.24Å; F292-F296 WeakPolarHBondContact O-CB 3.33Å; F292-F296 PolarHBondContact O-N 2.77Å; F296-P298 HydrophobicContact CD1-CB 4.38Å; F296-P298 HydrophobicContact CE1-CB 4.03Å; F296-P298 WeakPolarHBondContact O-CD 3.35Å; F296-I303 HydrophobicContact CE1-CD1 4.01Å; F296-I303 HydrophobicContact CE1-CG1 4.05Å; F296-I303 HydrophobicContact CE2-CG1 4.11Å; F296-I303 HydrophobicContact CZ-CD1 3.99Å; F296-I303 HydrophobicContact CZ-CG1 3.55Å; F296-I358 HydrophobicContact CE2-CG2 3.82Å; F296-P386 HydrophobicContact CD1-CB 4.31Å; F296-P386 HydrophobicContact CE1-CB 3.84Å; F296-P386 HydrophobicContact CE1-CG 3.68Å; F296-P386 HydrophobicContact CZ-CG 4.44Å | ||
| 297 | D | 95.2 | Very high | 96.1 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | trans | -107.6 | 90.1 | -176.5 | 176.4 | 5.1 | 0 | 0 | 0 | 109.6 | G268 K269 F270 H295 E299 N300 Y301 | G268-D297 WeakPolarHBondContact CA-OD2 3.37Å; K269-D297 HydrophobicContact CB-CB 4.45Å; K269-D297 PolarHBondContact N-OD2 3.3Å; F270-D297 HydrophobicContact CB-CB 3.84Å; H295-D297 PolarHBondContact O-N 3.06Å; D297-E299 PolarHBondContact O-N 2.87Å; D297-E299 VanDerWaalsContact O-N 3.16Å; D297-E299 WeakPolarHBondContact OD1-CB 3.36Å; D297-E299 PolarHBondContact OD1-N 3.46Å; D297-E299 VanDerWaalsContact OD1-N 3.11Å; D297-N300 PolarHBondContact O-N 3.45Å; D297-N300 PolarHBondContact OD1-N 2.9Å; D297-N300 PolarHBondContact OD1-ND2 2.97Å; D297-N300 WeakPolarHBondContact OD2-CB 3.11Å; D297-N300 PolarHBondContact OD2-ND2 3.15Å; D297-Y301 HydrophobicContact CB-CD2 4.07Å; D297-Y301 WeakPolarHBondContact O-CB 3.3Å; D297-Y301 PolarHBondContact O-N 3.33Å | ||
| 298 | P | 94.8 | Very high | 96.1 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 44% | 0.442 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.1 | -178.5 | 29.1 | -36.9 | 0 | 0 | 0 | 113.2 | F296 H362 P386 | F296-P298 HydrophobicContact CD1-CB 4.38Å; F296-P298 HydrophobicContact CE1-CB 4.03Å; F296-P298 WeakPolarHBondContact O-CD 3.35Å; P298-H362 PolarHBondContact O-CE1 3.28Å; P298-H362 PolarHBondContact O-NE2 2.83Å; P298-P386 HydrophobicContact CB-CB 4.49Å; P298-P386 HydrophobicContact CB-CG 4.15Å |
| 299 | E | 93.9 | Very high | 96 | Very high | 143 Ų | 143 | 45.7 Ų | 45.7 | 67% | 0.668 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -33.6 | 175.8 | -60.7 | -178 | 167.7 | 0 | 0 | 111.3 | D297 H362 | D297-E299 PolarHBondContact O-N 2.87Å; D297-E299 VanDerWaalsContact O-N 3.16Å; D297-E299 WeakPolarHBondContact OD1-CB 3.36Å; D297-E299 PolarHBondContact OD1-N 3.46Å; D297-E299 VanDerWaalsContact OD1-N 3.11Å; E299-H362 PolarHBondContact O-CD2 2.76Å; E299-H362 PolarHBondContact O-NE2 2.94Å |
| 300 | N | 94.7 | Very high | 95.7 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -10.7 | -173 | -60.7 | -71.3 | 0 | 0 | 0 | 114.4 | P266 G268 D297 G361 | P266-N300 WeakPolarHBondContact CB-OD1 3.19Å; G268-N300 WeakPolarHBondContact CA-ND2 3.2Å; D297-N300 PolarHBondContact O-N 3.45Å; D297-N300 PolarHBondContact OD1-N 2.9Å; D297-N300 PolarHBondContact OD1-ND2 2.97Å; D297-N300 WeakPolarHBondContact OD2-CB 3.11Å; D297-N300 PolarHBondContact OD2-ND2 3.15Å; N300-G361 PolarHBondContact O-N 3.37Å |
| 301 | Y | 95.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.7 | 178.2 | -69.6 | -102 | 0 | 0 | 0 | 110.5 | K267 F270 M272 D297 W359 R360 H362 | K267-Y301 WeakPolarHBondContact O-CE2 3.33Å; K267-Y301 PolarHBondContact O-OH 3.09Å; K267-Y301 VanDerWaalsContact O-OH 3.1Å; F270-Y301 HydrophobicContact CB-CD2 3.81Å; F270-Y301 HydrophobicContact CB-CE2 3.71Å; F270-Y301 HydrophobicContact CB-CG 4.39Å; F270-Y301 AromaticContact CD1-CD1 3.81Å; F270-Y301 HydrophobicContact CD1-CD1 3.81Å; F270-Y301 HydrophobicContact CD1-CD2 4.25Å; F270-Y301 AromaticContact CD1-CE1 3.85Å; F270-Y301 HydrophobicContact CD1-CE1 3.85Å; F270-Y301 HydrophobicContact CD1-CE2 4.29Å; F270-Y301 HydrophobicContact CD1-CG 4.03Å; F270-Y301 PolarHBondContact O-OH 3.05Å; M272-Y301 HydrophobicContact CE-CD1 3.96Å; M272-Y301 HydrophobicContact CE-CE1 3.78Å; D297-Y301 HydrophobicContact CB-CD2 4.07Å; D297-Y301 WeakPolarHBondContact O-CB 3.3Å; D297-Y301 PolarHBondContact O-N 3.33Å; Y301-W359 WeakPolarHBondContact CA-O 3.26Å; Y301-W359 VanDerWaalsContact CD1-C 3.47Å; Y301-W359 WeakPolarHBondContact CD1-O 3.3Å; Y301-R360 HydrophobicContact CD1-CB 4.16Å; Y301-R360 HydrophobicContact CE1-CB 3.69Å; Y301-R360 HydrophobicContact CE1-CG 4.18Å; Y301-R360 HydrophobicContact CE2-CG 4.34Å; Y301-H362 PolarHBondContact O-CE1 2.82Å |
| 302 | S | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.4 | 177.6 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | W304 I358 W359 G361 | S302-W304 PolarHBondContact OG-NE1 2.73Å; S302-I358 WeakPolarHBondContact O-CA 3.44Å; S302-W359 PolarHBondContact N-O 3.07Å; S302-W359 VanDerWaalsContact N-O 3.09Å; S302-W359 PolarHBondContact O-N 3.39Å; S302-G361 WeakPolarHBondContact CB-O 3.33Å; S302-G361 PolarHBondContact OG-O 3.13Å |
| 303 | I | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.8 | 175.7 | -51.9 | 177.7 | 0 | 0 | 0 | 107.6 | F292 W293 F296 I356 W357 I358 L384 P386 T391 V395 | F292-I303 HydrophobicContact CE1-CD1 4.25Å; F292-I303 HydrophobicContact CZ-CD1 4.08Å; W293-I303 HydrophobicContact CH2-CD1 3.86Å; W293-I303 HydrophobicContact CZ3-CD1 4.28Å; F296-I303 HydrophobicContact CE1-CD1 4.01Å; F296-I303 HydrophobicContact CE1-CG1 4.05Å; F296-I303 HydrophobicContact CE2-CG1 4.11Å; F296-I303 HydrophobicContact CZ-CD1 3.99Å; F296-I303 HydrophobicContact CZ-CG1 3.55Å; I303-I356 HydrophobicContact CG2-CG2 3.9Å; I303-W357 CarbonylContact C-O 3.57Å; I303-W357 WeakPolarHBondContact CA-O 3.2Å; I303-I358 HydrophobicContact CG1-CG1 4.48Å; I303-L384 HydrophobicContact CB-CB 4.36Å; I303-L384 HydrophobicContact CG2-CB 4.36Å; I303-L384 HydrophobicContact CG2-CD1 4.11Å; I303-L384 PolarHBondContact O-N 2.77Å; I303-P386 HydrophobicContact CD1-CB 4.21Å; I303-P386 HydrophobicContact CD1-CG 4.31Å; I303-T391 HydrophobicContact CD1-CG2 4.12Å; I303-T391 HydrophobicContact CG2-CG2 4.38Å; I303-V395 HydrophobicContact CD1-CG2 4.12Å; I303-V395 HydrophobicContact CG2-CG2 4.04Å |
| 304 | W | 98.1 | Very high | 93.8 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 10% | 0.095 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.2 | -178.7 | -69.4 | 76.1 | 0 | 0 | 0 | 110.9 | S302 I356 W357 W359 L364 W381 S382 K383 | S302-W304 PolarHBondContact OG-NE1 2.73Å; W304-I356 CarbonylContact O-C 3.53Å; W304-I356 WeakPolarHBondContact O-CA 3.29Å; W304-W357 HydrophobicContact CB-CB 4.27Å; W304-W357 PolarHBondContact N-O 3.38Å; W304-W357 PolarHBondContact O-N 3.43Å; W304-W359 HydrophobicContact CB-CH2 3.53Å; W304-W359 HydrophobicContact CB-CZ2 3.97Å; W304-W359 HydrophobicContact CB-CZ3 4.11Å; W304-W359 AromaticContact CD1-CE2 3.38Å; W304-W359 AromaticContact CD1-CH2 3.57Å; W304-W359 AromaticContact CD1-CZ2 3.08Å; W304-W359 AromaticContact CD1-NE1 3.87Å; W304-W359 AromaticContact CD2-CH2 3.82Å; W304-W359 HydrophobicContact CD2-CH2 3.82Å; W304-W359 AromaticContact CD2-CZ2 3.43Å; W304-W359 HydrophobicContact CD2-CZ2 3.43Å; W304-W359 VanDerWaalsContact CD2-CZ2 3.43Å; W304-W359 AromaticContact CE2-CZ2 3.4Å; W304-W359 VanDerWaalsContact CE2-CZ2 3.4Å; W304-W359 HydrophobicContact CE3-CZ2 4.29Å; W304-W359 AromaticContact CG-CH2 3.35Å; W304-W359 HydrophobicContact CG-CH2 3.35Å; W304-W359 AromaticContact CG-CZ2 3.23Å; W304-W359 HydrophobicContact CG-CZ2 3.23Å; W304-W359 HydrophobicContact CG-CZ3 4.23Å; W304-W359 HydrophobicContact CZ2-CZ2 4.21Å; W304-W359 AromaticContact NE1-CE2 3.38Å; W304-W359 AromaticContact NE1-CZ2 3.18Å; W304-W359 AromaticContact NE1-NE1 3.46Å; W304-L364 HydrophobicContact CD2-CD1 4.33Å; W304-L364 HydrophobicContact CE3-CD1 3.87Å; W304-L364 HydrophobicContact CH2-CB 3.95Å; W304-L364 HydrophobicContact CH2-CD1 4.24Å; W304-L364 HydrophobicContact CZ2-CB 4.41Å; W304-L364 HydrophobicContact CZ3-CB 4.3Å; W304-L364 HydrophobicContact CZ3-CD1 3.83Å; W304-W381 HydrophobicContact CB-CE3 4.5Å; W304-W381 HydrophobicContact CE3-CB 4.11Å; W304-W381 HydrophobicContact CZ3-CB 4.26Å; W304-S382 WeakPolarHBondContact CA-O 3.37Å; W304-K383 HydrophobicContact CD2-CB 3.93Å; W304-K383 HydrophobicContact CD2-CG 4.26Å; W304-K383 HydrophobicContact CE3-CB 3.92Å; W304-K383 HydrophobicContact CH2-CB 3.87Å; W304-K383 HydrophobicContact CH2-CD 4.47Å; W304-K383 HydrophobicContact CH2-CG 4.49Å; W304-K383 HydrophobicContact CZ2-CB 3.86Å; W304-K383 HydrophobicContact CZ2-CD 3.9Å; W304-K383 HydrophobicContact CZ2-CG 3.99Å; W304-K383 HydrophobicContact CZ3-CB 3.89Å |
| 305 | Y | 97.6 | Very high | 93.2 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 135.6 | 168.4 | -176.8 | -107.9 | 0 | 0 | 0 | 109.8 | E307 S354 G355 I356 W381 S382 Y398 | Y305-E307 HydrophobicContact CE1-CB 3.92Å; Y305-S354 WeakPolarHBondContact OH-CB 3.34Å; Y305-S354 PolarHBondContact OH-OG 2.71Å; Y305-G355 WeakPolarHBondContact CA-O 3.43Å; Y305-G355 WeakPolarHBondContact CD2-O 3.36Å; Y305-I356 HydrophobicContact CD2-CD1 3.86Å; Y305-W381 WeakPolarHBondContact O-CA 3.3Å; Y305-S382 PolarHBondContact N-O 3.29Å; Y305-S382 PolarHBondContact O-N 3.48Å; Y305-Y398 HydrophobicContact CE2-CE2 4.35Å; Y305-Y398 AromaticContact CE2-CZ 3.92Å |
| 306 | C | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.9 | 169.9 | 72.9 | 0 | 0 | 0 | 0 | 111.5 | S354 G355 W357 Y379 T380 W381 | C306-S354 CarbonylContact O-C 3.6Å; C306-S354 WeakPolarHBondContact O-CA 3.28Å; C306-S354 WeakPolarHBondContact O-CB 3.36Å; C306-G355 PolarHBondContact N-O 3.4Å; C306-G355 PolarHBondContact O-N 2.93Å; C306-G355 PolarHBondContact SG-N 3.05Å; C306-G355 VanDerWaalsContact SG-N 3.45Å; C306-W357 PolarHBondContact SG-NE1 3.25Å; C306-Y379 HydrophobicContact CB-CD1 4.19Å; C306-T380 VanDerWaalsContact CA-O 3.24Å; C306-T380 WeakPolarHBondContact CA-O 3.2Å; C306-W381 HydrophobicContact CB-CD2 4.06Å; C306-W381 HydrophobicContact CB-CE3 3.66Å; C306-W381 HydrophobicContact CB-CH2 3.67Å; C306-W381 HydrophobicContact CB-CZ2 4.09Å; C306-W381 HydrophobicContact CB-CZ3 3.46Å; C306-W381 VanDerWaalsContact CB-CZ3 3.46Å |
| 307 | E | 95.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.3 | 170.4 | -177.2 | 164.6 | -136.8 | 0 | 0 | 110.1 | Y305 Y379 T380 K408 | Y305-E307 HydrophobicContact CE1-CB 3.92Å; E307-Y379 CarbonylContact O-C 3.59Å; E307-Y379 WeakPolarHBondContact O-CA 3.46Å; E307-T380 PolarHBondContact N-O 3.4Å; E307-T380 PolarHBondContact O-N 2.99Å; E307-T380 PolarHBondContact O-OG1 3.34Å; E307-K408 IonicContact OE1-NZ 3.9Å; E307-K408 PolarHBondContact OE1-NZ 2.96Å |
| 308 | Y | 95 | Very high | 91.9 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 7% | 0.071 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 127.7 | -176.8 | -173 | -110.5 | 0 | 0 | 0 | 111 | Y310 S311 L314 L323 I353 S378 Y379 | Y308-Y310 HydrophobicContact CE1-CD2 4.48Å; Y308-Y310 VanDerWaalsContact CE1-O 3.31Å; Y308-Y310 WeakPolarHBondContact CE1-O 3.48Å; Y308-Y310 HydrophobicContact CE2-CD2 4.42Å; Y308-Y310 PolarHBondContact O-N 3.01Å; Y308-S311 PolarHBondContact O-OG 3.29Å; Y308-L314 HydrophobicContact CD1-CD1 4.03Å; Y308-L314 HydrophobicContact CD1-CD2 4.19Å; Y308-L314 HydrophobicContact CD1-CG 4.25Å; Y308-L314 HydrophobicContact CE1-CD1 4.41Å; Y308-L314 HydrophobicContact CE1-CD2 3.76Å; Y308-L314 HydrophobicContact CE1-CG 4.13Å; Y308-L323 HydrophobicContact CE2-CD1 4.32Å; Y308-L323 HydrophobicContact CE2-CD2 4.28Å; Y308-I353 HydrophobicContact CD1-CD1 4.49Å; Y308-I353 HydrophobicContact CG-CD1 4.45Å; Y308-I353 PolarHBondContact N-O 3.19Å; Y308-S378 WeakPolarHBondContact CD2-O 3.43Å; Y308-Y379 HydrophobicContact CD2-CD1 4.12Å; Y308-Y379 HydrophobicContact CD2-CD2 4.29Å; Y308-Y379 AromaticContact CD2-CE1 3.71Å; Y308-Y379 HydrophobicContact CD2-CE1 3.71Å; Y308-Y379 AromaticContact CD2-CE2 3.9Å; Y308-Y379 HydrophobicContact CD2-CE2 3.9Å; Y308-Y379 HydrophobicContact CD2-CG 4.39Å; Y308-Y379 AromaticContact CD2-CZ 3.59Å; Y308-Y379 HydrophobicContact CE2-CE2 4.37Å; Y308-Y379 HydrophobicContact CG-CE1 4.18Å |
| 309 | K | 93.2 | Very high | 91.5 | Very high | 103 Ų | 103 | 57.9 Ų | 57.9 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -30.6 | -172.7 | -69.6 | 172.9 | 179.2 | 166.1 | 0 | 113.4 | E377 S378 Y379 T380 | K309-E377 WeakPolarHBondContact CD-O 3.22Å; K309-E377 WeakPolarHBondContact CE-O 3.47Å; K309-E377 PolarHBondContact NZ-O 2.92Å; K309-S378 WeakPolarHBondContact CB-O 3.46Å; K309-S378 WeakPolarHBondContact CG-O 3.3Å; K309-S378 PolarHBondContact N-O 3.11Å; K309-Y379 VanDerWaalsContact CE-C 3.49Å; K309-Y379 VanDerWaalsContact CE-O 3.25Å; K309-Y379 WeakPolarHBondContact CE-O 3.48Å; K309-Y379 PolarHBondContact NZ-O 3.35Å; K309-T380 HydrophobicContact CD-CG2 4.34Å; K309-T380 HydrophobicContact CG-CG2 3.91Å |
| 310 | Y | 90.5 | Very high | 91.4 | Very high | 99 Ų | 99 | 51.1 Ų | 51.1 | 39% | 0.388 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 48.7 | -168 | -48.5 | -69.9 | 0 | 0 | 0 | 112.5 | Y308 N312 E313 | Y308-Y310 HydrophobicContact CE1-CD2 4.48Å; Y308-Y310 VanDerWaalsContact CE1-O 3.31Å; Y308-Y310 WeakPolarHBondContact CE1-O 3.48Å; Y308-Y310 HydrophobicContact CE2-CD2 4.42Å; Y308-Y310 PolarHBondContact O-N 3.01Å; Y310-N312 WeakPolarHBondContact CA-OD1 3.48Å; Y310-N312 PolarHBondContact O-N 2.95Å; Y310-N312 VanDerWaalsContact O-N 3.08Å; Y310-E313 WeakPolarHBondContact O-CB 3.34Å; Y310-E313 PolarHBondContact O-N 3.09Å |
| 311 | S | 87.2 | Confident | 91.2 | Very high | 39 Ų | 39 | 50 Ų | 50 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -57 | -26.8 | -178.7 | -65.7 | 0 | 0 | 0 | 0 | 113.1 | Y308 E313 L314 | Y308-S311 PolarHBondContact O-OG 3.29Å; S311-E313 PolarHBondContact O-N 3Å; S311-L314 WeakPolarHBondContact O-CB 3.32Å; S311-L314 PolarHBondContact O-N 3.24Å |
| 312 | N | 85.6 | Confident | 90.9 | Very high | 138 Ų | 138 | 54.3 Ų | 54.3 | 74% | 0.738 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65.8 | -17 | 174 | 61.7 | -60.4 | 0 | 0 | 0 | 114.5 | Y310 | Y310-N312 WeakPolarHBondContact CA-OD1 3.48Å; Y310-N312 PolarHBondContact O-N 2.95Å; Y310-N312 VanDerWaalsContact O-N 3.08Å |
| 313 | E | 86.5 | Confident | 90.7 | Very high | 127 Ų | 127 | 56.7 Ų | 56.7 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -90.6 | -7.6 | 177.2 | -60.3 | -176.9 | -174.9 | 0 | 0 | 112.5 | Y310 S311 A315 | Y310-E313 WeakPolarHBondContact O-CB 3.34Å; Y310-E313 PolarHBondContact O-N 3.09Å; S311-E313 PolarHBondContact O-N 3Å; E313-A315 PolarHBondContact O-N 3.36Å |
| 314 | L | 87.4 | Confident | 90.4 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | trans | -83.3 | 79.2 | -176.5 | -56.8 | -177.4 | 0 | 0 | 0 | 111.5 | Y308 S311 A351 I353 | Y308-L314 HydrophobicContact CD1-CD1 4.03Å; Y308-L314 HydrophobicContact CD1-CD2 4.19Å; Y308-L314 HydrophobicContact CD1-CG 4.25Å; Y308-L314 HydrophobicContact CE1-CD1 4.41Å; Y308-L314 HydrophobicContact CE1-CD2 3.76Å; Y308-L314 HydrophobicContact CE1-CG 4.13Å; S311-L314 WeakPolarHBondContact O-CB 3.32Å; S311-L314 PolarHBondContact O-N 3.24Å; L314-A351 HydrophobicContact CB-CB 3.97Å; L314-A351 HydrophobicContact CD1-CB 4.34Å; L314-I353 HydrophobicContact CD1-CD1 3.75Å; L314-I353 HydrophobicContact CD1-CG1 3.71Å; L314-I353 HydrophobicContact CD2-CD1 4.01Å | ||
| 315 | A | 83.7 | Confident | 90.2 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | trans | -71.4 | -39.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E313 D348 N349 | E313-A315 PolarHBondContact O-N 3.36Å; A315-D348 CarbonylContact O-C 3.49Å; A315-N349 PolarHBondContact O-N 3.07Å; A315-N349 PolarHBondContact O-OD1 3.49Å | ||
| 316 | K | 86.9 | Confident | 89.8 | Confident | 78 Ų | 78 | 56.3 Ų | 56.3 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | trans | -131.7 | 133.1 | -175 | -64.2 | -62.5 | -172 | -174.8 | 0 | 110.7 | F318 M319 S320 D348 | K316-F318 VanDerWaalsContact C-N 3.28Å; K316-F318 HydrophobicContact CB-CD1 3.68Å; K316-F318 HydrophobicContact CB-CE1 3.52Å; K316-F318 HydrophobicContact CB-CZ 4.38Å; K316-F318 HydrophobicContact CG-CD1 4.41Å; K316-F318 HydrophobicContact CG-CE1 3.83Å; K316-F318 PolarHBondContact O-N 2.95Å; K316-M319 HydrophobicContact CB-CB 4.23Å; K316-M319 HydrophobicContact CB-CG 3.88Å; K316-M319 HydrophobicContact CB-SD 3.9Å; K316-M319 HydrophobicContact CG-SD 4.07Å; K316-M319 WeakPolarHBondContact O-CA 3.46Å; K316-M319 WeakPolarHBondContact O-CB 3.32Å; K316-M319 PolarHBondContact O-N 3.26Å; K316-S320 PolarHBondContact O-N 3.19Å; K316-S320 VanDerWaalsContact O-N 3.11Å; K316-S320 PolarHBondContact O-OG 2.77Å; K316-D348 WeakPolarHBondContact CA-OD1 3.24Å; K316-D348 HydrophobicContact CD-CB 4.19Å; K316-D348 VanDerWaalsContact CD-CG 3.42Å; K316-D348 WeakPolarHBondContact CD-OD2 3.15Å; K316-D348 IonicContact NZ-OD2 2.77Å; K316-D348 PolarHBondContact NZ-OD2 3.01Å | ||
| 317 | V | 86.3 | Confident | 89.6 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.2 | -42.7 | -178.6 | 172 | 0 | 0 | 0 | 0 | 111.6 | M319 S320 C321 V344 D348 N411 | V317-M319 VanDerWaalsContact C-N 3.26Å; V317-M319 PolarHBondContact O-N 3.35Å; V317-S320 WeakPolarHBondContact O-CB 3.26Å; V317-S320 PolarHBondContact O-N 3.42Å; V317-S320 VanDerWaalsContact O-N 3.15Å; V317-C321 PolarHBondContact O-N 3.26Å; V317-C321 PolarHBondContact O-SG 3.45Å; V317-V344 HydrophobicContact CG1-CG1 4.17Å; V317-D348 PolarHBondContact N-OD1 3.48Å; V317-N411 WeakPolarHBondContact CG1-OD1 3.32Å |
| 318 | F | 85 | Confident | 89.5 | Confident | 127 Ų | 127 | 54.2 Ų | 54.2 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.1 | -31.5 | 178.7 | 82.4 | -91.9 | 0 | 0 | 0 | 112.6 | K316 C321 N322 | K316-F318 VanDerWaalsContact C-N 3.28Å; K316-F318 HydrophobicContact CB-CD1 3.68Å; K316-F318 HydrophobicContact CB-CE1 3.52Å; K316-F318 HydrophobicContact CB-CZ 4.38Å; K316-F318 HydrophobicContact CG-CD1 4.41Å; K316-F318 HydrophobicContact CG-CE1 3.83Å; K316-F318 PolarHBondContact O-N 2.95Å; F318-C321 PolarHBondContact O-N 3.34Å; F318-N322 PolarHBondContact O-N 2.82Å; F318-N322 PolarHBondContact O-ND2 3.35Å |
| 319 | M | 88 | Confident | 89.3 | Confident | 103 Ų | 103 | 57.2 Ų | 57.2 | 51% | 0.507 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 175.2 | -65.5 | 177.3 | 67 | 0 | 0 | 110.8 | K316 V317 C321 N322 L323 | K316-M319 HydrophobicContact CB-CB 4.23Å; K316-M319 HydrophobicContact CB-CG 3.88Å; K316-M319 HydrophobicContact CB-SD 3.9Å; K316-M319 HydrophobicContact CG-SD 4.07Å; K316-M319 WeakPolarHBondContact O-CA 3.46Å; K316-M319 WeakPolarHBondContact O-CB 3.32Å; K316-M319 PolarHBondContact O-N 3.26Å; V317-M319 VanDerWaalsContact C-N 3.26Å; V317-M319 PolarHBondContact O-N 3.35Å; M319-C321 VanDerWaalsContact C-N 3.34Å; M319-C321 PolarHBondContact O-N 3.31Å; M319-N322 WeakPolarHBondContact O-CB 3.49Å; M319-N322 PolarHBondContact O-N 2.84Å; M319-L323 PolarHBondContact O-N 3.07Å |
| 320 | S | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 171.6 | -53 | 0 | 0 | 0 | 0 | 111.7 | K316 V317 N322 L323 I324 | K316-S320 PolarHBondContact O-N 3.19Å; K316-S320 VanDerWaalsContact O-N 3.11Å; K316-S320 PolarHBondContact O-OG 2.77Å; V317-S320 WeakPolarHBondContact O-CB 3.26Å; V317-S320 PolarHBondContact O-N 3.42Å; V317-S320 VanDerWaalsContact O-N 3.15Å; S320-N322 VanDerWaalsContact C-N 3.34Å; S320-N322 PolarHBondContact O-N 3.23Å; S320-L323 WeakPolarHBondContact O-CB 3.47Å; S320-L323 PolarHBondContact O-N 3Å; S320-I324 WeakPolarHBondContact O-CG1 3.48Å; S320-I324 PolarHBondContact O-N 2.95Å; S320-I324 VanDerWaalsContact O-N 3.12Å |
| 321 | C | 90.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.034 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 112.7 | V317 F318 M319 T325 Q412 | V317-C321 PolarHBondContact O-N 3.26Å; V317-C321 PolarHBondContact O-SG 3.45Å; F318-C321 PolarHBondContact O-N 3.34Å; M319-C321 VanDerWaalsContact C-N 3.34Å; M319-C321 PolarHBondContact O-N 3.31Å; C321-T325 WeakPolarHBondContact O-CB 3.33Å; C321-T325 PolarHBondContact O-N 3.17Å; C321-T325 PolarHBondContact O-OG1 2.9Å; C321-Q412 PolarHBondContact SG-OE1 3.29Å |
| 322 | N | 89.9 | Confident | 89.2 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 174.9 | -71.6 | -17.2 | 0 | 0 | 0 | 111.7 | F318 M319 S320 T325 G326 | F318-N322 PolarHBondContact O-N 2.82Å; F318-N322 PolarHBondContact O-ND2 3.35Å; M319-N322 WeakPolarHBondContact O-CB 3.49Å; M319-N322 PolarHBondContact O-N 2.84Å; S320-N322 VanDerWaalsContact C-N 3.34Å; S320-N322 PolarHBondContact O-N 3.23Å; N322-T325 PolarHBondContact O-N 2.82Å; N322-G326 PolarHBondContact O-N 3.46Å |
| 323 | L | 91.4 | Very high | 89.2 | Confident | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.267 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 175.5 | -175.9 | 153.8 | 0 | 0 | 0 | 111 | Y308 M319 S320 T325 G326 M327 I353 Y379 | Y308-L323 HydrophobicContact CE2-CD1 4.32Å; Y308-L323 HydrophobicContact CE2-CD2 4.28Å; M319-L323 PolarHBondContact O-N 3.07Å; S320-L323 WeakPolarHBondContact O-CB 3.47Å; S320-L323 PolarHBondContact O-N 3Å; L323-T325 PolarHBondContact O-N 3.46Å; L323-G326 PolarHBondContact O-N 2.87Å; L323-M327 PolarHBondContact O-N 2.72Å; L323-I353 HydrophobicContact CD2-CD1 4.3Å; L323-Y379 VanDerWaalsContact CD2-OH 3.28Å; L323-Y379 WeakPolarHBondContact CD2-OH 3.4Å |
| 324 | I | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.7 | -61.4 | 162 | 0 | 0 | 0 | 110.9 | S320 G326 M327 F328 V342 V344 I353 K414 | S320-I324 WeakPolarHBondContact O-CG1 3.48Å; S320-I324 PolarHBondContact O-N 2.95Å; S320-I324 VanDerWaalsContact O-N 3.12Å; I324-G326 VanDerWaalsContact C-N 3.33Å; I324-G326 PolarHBondContact O-N 3.19Å; I324-M327 PolarHBondContact O-N 2.78Å; I324-F328 HydrophobicContact CG2-CD1 4.25Å; I324-F328 HydrophobicContact CG2-CD2 4.43Å; I324-F328 HydrophobicContact CG2-CE1 3.79Å; I324-F328 HydrophobicContact CG2-CE2 3.99Å; I324-F328 HydrophobicContact CG2-CZ 3.65Å; I324-F328 PolarHBondContact O-N 3Å; I324-V342 HydrophobicContact CD1-CG1 3.81Å; I324-V342 HydrophobicContact CG1-CG1 4Å; I324-V342 HydrophobicContact CG2-CB 4.02Å; I324-V342 HydrophobicContact CG2-CG1 4.03Å; I324-V344 HydrophobicContact CD1-CG2 3.45Å; I324-V344 VanDerWaalsContact CD1-CG2 3.45Å; I324-I353 HydrophobicContact CD1-CD1 4.3Å; I324-I353 HydrophobicContact CD1-CG1 4.34Å; I324-I353 HydrophobicContact CD1-CG2 3.82Å; I324-I353 HydrophobicContact CG1-CD1 4.24Å; I324-I353 HydrophobicContact CG1-CG2 4.02Å; I324-K414 HydrophobicContact CB-CG 4.49Å; I324-K414 HydrophobicContact CG2-CB 3.82Å; I324-K414 HydrophobicContact CG2-CG 4.06Å |
| 325 | T | 92 | Very high | 89.5 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | C321 N322 L323 F328 Q329 | C321-T325 WeakPolarHBondContact O-CB 3.33Å; C321-T325 PolarHBondContact O-N 3.17Å; C321-T325 PolarHBondContact O-OG1 2.9Å; N322-T325 PolarHBondContact O-N 2.82Å; L323-T325 PolarHBondContact O-N 3.46Å; T325-F328 PolarHBondContact O-N 2.81Å; T325-Q329 WeakPolarHBondContact O-CG 3.03Å; T325-Q329 PolarHBondContact O-N 3.28Å; T325-Q329 VanDerWaalsContact O-N 3.07Å |
| 326 | G | 90.2 | Very high | 89.8 | Confident | 11 Ų | 11 | 54 Ų | 54 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N322 L323 I324 Q329 R330 | N322-G326 PolarHBondContact O-N 3.46Å; L323-G326 PolarHBondContact O-N 2.87Å; I324-G326 VanDerWaalsContact C-N 3.33Å; I324-G326 PolarHBondContact O-N 3.19Å; G326-Q329 PolarHBondContact O-N 2.97Å; G326-R330 VanDerWaalsContact C-CZ 3.42Å; G326-R330 VanDerWaalsContact O-CZ 3.23Å; G326-R330 PolarHBondContact O-N 3.03Å; G326-R330 PolarHBondContact O-NH1 2.91Å |
| 327 | M | 93 | Very high | 90 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 174.8 | -176.4 | -179.2 | 78.8 | 0 | 0 | 111.1 | L323 I324 Q329 R330 L331 W357 D375 Y379 | L323-M327 PolarHBondContact O-N 2.72Å; I324-M327 PolarHBondContact O-N 2.78Å; M327-Q329 VanDerWaalsContact C-N 3.3Å; M327-Q329 PolarHBondContact O-N 2.92Å; M327-R330 PolarHBondContact O-N 2.94Å; M327-R330 VanDerWaalsContact O-N 3.13Å; M327-L331 HydrophobicContact CE-CD1 4.34Å; M327-L331 HydrophobicContact CG-CD1 3.79Å; M327-L331 HydrophobicContact CG-CG 4.43Å; M327-L331 VanDerWaalsContact O-CG 3.29Å; M327-L331 WeakPolarHBondContact O-CG 3.49Å; M327-L331 PolarHBondContact O-N 3.32Å; M327-L331 VanDerWaalsContact O-N 3.13Å; M327-L331 HydrophobicContact SD-CD1 4.47Å; M327-W357 HydrophobicContact CE-CH2 3.8Å; M327-W357 HydrophobicContact CE-CZ2 3.37Å; M327-D375 HydrophobicContact CB-CB 4.32Å; M327-D375 HydrophobicContact CG-CB 3.8Å; M327-D375 HydrophobicContact SD-CB 3.9Å; M327-Y379 HydrophobicContact SD-CD2 4.36Å; M327-Y379 HydrophobicContact SD-CE2 3.66Å |
| 328 | F | 94.3 | Very high | 90.4 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 10% | 0.101 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -40.3 | 179 | -74.1 | 4.7 | 0 | 0 | 0 | 112.6 | I324 T325 R330 L331 D332 V342 W357 K414 I415 F416 | I324-F328 HydrophobicContact CG2-CD1 4.25Å; I324-F328 HydrophobicContact CG2-CD2 4.43Å; I324-F328 HydrophobicContact CG2-CE1 3.79Å; I324-F328 HydrophobicContact CG2-CE2 3.99Å; I324-F328 HydrophobicContact CG2-CZ 3.65Å; I324-F328 PolarHBondContact O-N 3Å; T325-F328 PolarHBondContact O-N 2.81Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.19Å; F328-L331 PolarHBondContact O-N 3.36Å; F328-L331 VanDerWaalsContact O-N 3.16Å; F328-D332 PolarHBondContact O-N 3.01Å; F328-V342 HydrophobicContact CE1-CG2 3.86Å; F328-V342 HydrophobicContact CZ-CB 4.02Å; F328-V342 HydrophobicContact CZ-CG2 3.69Å; F328-W357 HydrophobicContact CD1-CH2 4.06Å; F328-W357 HydrophobicContact CD1-CZ2 4.4Å; F328-W357 AromaticContact CE1-CH2 3.71Å; F328-W357 HydrophobicContact CE1-CH2 3.71Å; F328-W357 AromaticContact CE1-CZ2 3.69Å; F328-W357 HydrophobicContact CE1-CZ2 3.69Å; F328-K414 HydrophobicContact CE2-CB 3.68Å; F328-K414 HydrophobicContact CZ-CB 4.23Å; F328-I415 WeakPolarHBondContact CE2-O 3.47Å; F328-F416 HydrophobicContact CB-CD2 3.86Å; F328-F416 HydrophobicContact CB-CE2 4.46Å; F328-F416 HydrophobicContact CD1-CB 4.06Å; F328-F416 AromaticContact CD1-CD2 3.94Å; F328-F416 HydrophobicContact CD1-CD2 3.94Å; F328-F416 HydrophobicContact CD1-CG 4.32Å; F328-F416 HydrophobicContact CD2-CB 3.95Å; F328-F416 HydrophobicContact CD2-CD2 4.22Å; F328-F416 HydrophobicContact CE1-CB 3.85Å; F328-F416 HydrophobicContact CE2-CB 3.74Å; F328-F416 HydrophobicContact CG-CB 4.11Å; F328-F416 AromaticContact CG-CD2 3.75Å; F328-F416 HydrophobicContact CG-CD2 3.75Å; F328-F416 HydrophobicContact CG-CG 4.38Å; F328-F416 HydrophobicContact CZ-CB 3.69Å |
| 329 | Q | 89.6 | Confident | 91 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.9 | -73.2 | 169.5 | -17.7 | 0 | 0 | 112.3 | N115 T325 G326 M327 L331 D332 | N115-Q329 PolarHBondContact ND2-NE2 2.83Å; T325-Q329 WeakPolarHBondContact O-CG 3.03Å; T325-Q329 PolarHBondContact O-N 3.28Å; T325-Q329 VanDerWaalsContact O-N 3.07Å; G326-Q329 PolarHBondContact O-N 2.97Å; M327-Q329 VanDerWaalsContact C-N 3.3Å; M327-Q329 PolarHBondContact O-N 2.92Å; Q329-L331 PolarHBondContact O-N 3.28Å; Q329-D332 PolarHBondContact O-N 3.37Å |
| 330 | R | 89 | Confident | 91.4 | Very high | 95 Ų | 95 | 39.6 Ų | 39.6 | 36% | 0.358 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.2 | -25.8 | 176.2 | -70.6 | -177.1 | -73.7 | -86.7 | 8.9 | 112.8 | G326 M327 F328 D375 | G326-R330 VanDerWaalsContact C-CZ 3.42Å; G326-R330 VanDerWaalsContact O-CZ 3.23Å; G326-R330 PolarHBondContact O-N 3.03Å; G326-R330 PolarHBondContact O-NH1 2.91Å; M327-R330 PolarHBondContact O-N 2.94Å; M327-R330 VanDerWaalsContact O-N 3.13Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 3.19Å; R330-D375 IonicContact CZ-OD1 3.92Å; R330-D375 IonicContact CZ-OD2 2.67Å; R330-D375 IonicContact NE-OD1 3.54Å; R330-D375 IonicContact NE-OD2 3.86Å; R330-D375 PolarHBondContact NE-OD2 3.16Å; R330-D375 IonicContact NH2-OD1 2.76Å; R330-D375 PolarHBondContact NH2-OD1 3.04Å; R330-D375 IonicContact NH2-OD2 3.82Å; R330-D375 PolarHBondContact NH2-OD2 3.14Å |
| 331 | L | 92.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.9 | -180 | -61.7 | 169.9 | 0 | 0 | 0 | 113.9 | M327 F328 Q329 R333 M334 W357 F366 W372 F416 | M327-L331 HydrophobicContact CE-CD1 4.34Å; M327-L331 HydrophobicContact CG-CD1 3.79Å; M327-L331 HydrophobicContact CG-CG 4.43Å; M327-L331 VanDerWaalsContact O-CG 3.29Å; M327-L331 WeakPolarHBondContact O-CG 3.49Å; M327-L331 PolarHBondContact O-N 3.32Å; M327-L331 VanDerWaalsContact O-N 3.13Å; M327-L331 HydrophobicContact SD-CD1 4.47Å; F328-L331 PolarHBondContact O-N 3.36Å; F328-L331 VanDerWaalsContact O-N 3.16Å; Q329-L331 PolarHBondContact O-N 3.28Å; L331-R333 PolarHBondContact O-N 2.72Å; L331-M334 HydrophobicContact CB-CB 4.46Å; L331-M334 WeakPolarHBondContact O-CA 3.29Å; L331-M334 VanDerWaalsContact O-CB 3.26Å; L331-M334 WeakPolarHBondContact O-CB 3.37Å; L331-M334 PolarHBondContact O-N 3.27Å; L331-W357 HydrophobicContact CD1-CH2 3.69Å; L331-W357 HydrophobicContact CD1-CZ3 4.11Å; L331-F366 HydrophobicContact CD1-CE1 3.66Å; L331-F366 HydrophobicContact CD1-CZ 4.43Å; L331-F366 HydrophobicContact CD2-CD1 3.85Å; L331-F366 HydrophobicContact CD2-CE1 3.67Å; L331-F366 HydrophobicContact CG-CE1 4.32Å; L331-W372 HydrophobicContact CD2-CB 3.73Å; L331-W372 HydrophobicContact CD2-CG 3.89Å; L331-F416 HydrophobicContact CB-CE2 3.79Å; L331-F416 HydrophobicContact CB-CZ 3.88Å; L331-F416 WeakPolarHBondContact O-CZ 3.45Å |
| 332 | D | 86.9 | Confident | 92.1 | Very high | 78 Ų | 78 | 39.4 Ų | 39.4 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -52 | -33.5 | -174.6 | -166.1 | 61.5 | 0 | 0 | 0 | 113.8 | F328 Q329 M334 R335 | F328-D332 PolarHBondContact O-N 3.01Å; Q329-D332 PolarHBondContact O-N 3.37Å; D332-M334 VanDerWaalsContact C-N 3.29Å; D332-M334 PolarHBondContact O-N 3.34Å; D332-R335 VanDerWaalsContact O-CB 3.26Å; D332-R335 WeakPolarHBondContact O-CB 3.42Å; D332-R335 VanDerWaalsContact O-CD 3.31Å; D332-R335 WeakPolarHBondContact O-CD 3.32Å; D332-R335 WeakPolarHBondContact O-CG 3.45Å; D332-R335 PolarHBondContact O-N 3.37Å; D332-R335 VanDerWaalsContact O-N 3.16Å; D332-R335 VanDerWaalsContact OD1-CD 3.31Å; D332-R335 WeakPolarHBondContact OD1-CD 3.39Å; D332-R335 IonicContact OD1-CZ 3.79Å; D332-R335 IonicContact OD1-NE 2.64Å; D332-R335 IonicContact OD1-NH1 2.77Å; D332-R335 PolarHBondContact OD1-NH1 2.89Å; D332-R335 IonicContact OD2-CZ 2.9Å; D332-R335 IonicContact OD2-NH1 2.68Å; D332-R335 PolarHBondContact OD2-NH1 3.1Å; D332-R335 IonicContact OD2-NH2 2.72Å |
| 333 | R | 87.1 | Confident | 92.4 | Very high | 93 Ų | 93 | 34.6 Ų | 34.6 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -67.2 | -26.6 | 176 | -65.4 | -178.7 | 62.9 | -173.1 | 6.4 | 113.9 | L331 R335 D371 W372 | L331-R333 PolarHBondContact O-N 2.72Å; R333-R335 VanDerWaalsContact C-N 3.3Å; R333-D371 IonicContact CZ-OD2 2.82Å; R333-D371 IonicContact NH1-OD2 3.39Å; R333-D371 PolarHBondContact NH1-OD2 3.3Å; R333-W372 HydrophobicContact CB-CZ2 4.14Å |
| 334 | M | 91 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -78.5 | -18.1 | 176.6 | -169.2 | 178 | 168.5 | 0 | 0 | 111.6 | F262 L331 D332 K336 N337 A338 W359 A365 F366 W372 F416 | F262-M334 HydrophobicContact CE2-CG 3.96Å; F262-M334 HydrophobicContact CZ-CE 4.33Å; F262-M334 HydrophobicContact CZ-CG 3.95Å; L331-M334 HydrophobicContact CB-CB 4.46Å; L331-M334 WeakPolarHBondContact O-CA 3.29Å; L331-M334 VanDerWaalsContact O-CB 3.26Å; L331-M334 WeakPolarHBondContact O-CB 3.37Å; L331-M334 PolarHBondContact O-N 3.27Å; D332-M334 VanDerWaalsContact C-N 3.29Å; D332-M334 PolarHBondContact O-N 3.34Å; M334-K336 VanDerWaalsContact C-N 3.31Å; M334-K336 PolarHBondContact O-N 3.27Å; M334-K336 VanDerWaalsContact O-N 3.15Å; M334-N337 PolarHBondContact O-N 3.06Å; M334-A338 HydrophobicContact CE-CB 3.61Å; M334-A338 HydrophobicContact CG-CB 3.82Å; M334-A338 PolarHBondContact O-N 2.88Å; M334-A338 HydrophobicContact SD-CB 4.38Å; M334-W359 HydrophobicContact CE-CB 4.04Å; M334-W359 HydrophobicContact CE-CD2 3.88Å; M334-W359 HydrophobicContact CE-CE3 3.54Å; M334-W359 HydrophobicContact CE-CG 4.12Å; M334-W359 HydrophobicContact CE-CZ3 4.2Å; M334-A365 HydrophobicContact CE-CB 3.34Å; M334-A365 HydrophobicContact SD-CB 4.29Å; M334-F366 HydrophobicContact SD-CE1 4.18Å; M334-F366 HydrophobicContact SD-CZ 4.5Å; M334-W372 HydrophobicContact CB-CD2 4.31Å; M334-W372 HydrophobicContact CB-CH2 4.22Å; M334-W372 HydrophobicContact CB-CZ2 3.86Å; M334-W372 HydrophobicContact CG-CH2 4.33Å; M334-W372 HydrophobicContact CG-CZ2 4.45Å; M334-W372 HydrophobicContact CG-CZ3 4.36Å; M334-W372 HydrophobicContact SD-CE3 4.41Å; M334-F416 HydrophobicContact CB-CE1 4.5Å; M334-F416 HydrophobicContact CB-CZ 4.23Å |
| 335 | R | 89.2 | Confident | 92.6 | Very high | 88 Ų | 88 | 32.3 Ų | 32.3 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -53.6 | -43.5 | -169.9 | 83.6 | -170.5 | 175.6 | -155.5 | -9.9 | 112.6 | K276 D332 R333 N337 A338 F416 | K276-R335 PolarHBondContact NZ-O 3.49Å; D332-R335 VanDerWaalsContact O-CB 3.26Å; D332-R335 WeakPolarHBondContact O-CB 3.42Å; D332-R335 VanDerWaalsContact O-CD 3.31Å; D332-R335 WeakPolarHBondContact O-CD 3.32Å; D332-R335 WeakPolarHBondContact O-CG 3.45Å; D332-R335 PolarHBondContact O-N 3.37Å; D332-R335 VanDerWaalsContact O-N 3.16Å; D332-R335 VanDerWaalsContact OD1-CD 3.31Å; D332-R335 WeakPolarHBondContact OD1-CD 3.39Å; D332-R335 IonicContact OD1-CZ 3.79Å; D332-R335 IonicContact OD1-NE 2.64Å; D332-R335 IonicContact OD1-NH1 2.77Å; D332-R335 PolarHBondContact OD1-NH1 2.89Å; D332-R335 IonicContact OD2-CZ 2.9Å; D332-R335 IonicContact OD2-NH1 2.68Å; D332-R335 PolarHBondContact OD2-NH1 3.1Å; D332-R335 IonicContact OD2-NH2 2.72Å; R333-R335 VanDerWaalsContact C-N 3.3Å; R335-N337 PolarHBondContact O-N 3.4Å; R335-N337 VanDerWaalsContact O-N 3.09Å; R335-A338 PolarHBondContact O-N 2.92Å; R335-F416 HydrophobicContact CB-CE1 4.38Å; R335-F416 HydrophobicContact CB-CE2 4.46Å; R335-F416 HydrophobicContact CB-CZ 3.9Å |
| 336 | K | 88.8 | Confident | 92.6 | Very high | 138 Ų | 138 | 31.1 Ų | 31.1 | 60% | 0.6 | 14% | 0.142 | S | C | * | . | G | 310 helix | trans | -58.5 | -30.9 | -176.6 | -72.3 | -170.8 | 176.3 | -175.1 | 0 | 113.6 | M334 | M334-K336 VanDerWaalsContact C-N 3.31Å; M334-K336 PolarHBondContact O-N 3.27Å; M334-K336 VanDerWaalsContact O-N 3.15Å |
| 337 | N | 91.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 34.8 Ų | 34.8 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -112.6 | 9 | -172.6 | -66 | -66.8 | 0 | 0 | 0 | 113.5 | F262 M334 R335 W359 R360 | F262-N337 HydrophobicContact CB-CB 4.38Å; F262-N337 HydrophobicContact CD1-CB 4.02Å; F262-N337 HydrophobicContact CD2-CB 3.55Å; F262-N337 VanDerWaalsContact CD2-ND2 3.34Å; F262-N337 WeakPolarHBondContact CD2-ND2 3.41Å; F262-N337 HydrophobicContact CE1-CB 4.15Å; F262-N337 HydrophobicContact CE2-CB 3.67Å; F262-N337 HydrophobicContact CG-CB 3.71Å; F262-N337 HydrophobicContact CZ-CB 3.98Å; M334-N337 PolarHBondContact O-N 3.06Å; R335-N337 PolarHBondContact O-N 3.4Å; R335-N337 VanDerWaalsContact O-N 3.09Å; N337-W359 VanDerWaalsContact O-CA 3.28Å; N337-W359 WeakPolarHBondContact O-CA 3.37Å; N337-R360 HydrophobicContact CB-CB 4.5Å; N337-R360 PolarHBondContact O-N 3.26Å; N337-R360 PolarHBondContact OD1-NH1 3.41Å |
| 338 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K276 M334 R335 I358 W359 F416 | K276-A338 WeakPolarHBondContact CE-O 3.16Å; K276-A338 PolarHBondContact NZ-O 3.27Å; M334-A338 HydrophobicContact CE-CB 3.61Å; M334-A338 HydrophobicContact CG-CB 3.82Å; M334-A338 PolarHBondContact O-N 2.88Å; M334-A338 HydrophobicContact SD-CB 4.38Å; R335-A338 PolarHBondContact O-N 2.92Å; A338-I358 CarbonylContact C-O 3.54Å; A338-I358 WeakPolarHBondContact CA-O 3.27Å; A338-I358 WeakPolarHBondContact CB-O 3.33Å; A338-W359 HydrophobicContact CB-CB 3.77Å; A338-F416 HydrophobicContact CB-CD1 4.5Å; A338-F416 HydrophobicContact CB-CE1 4.02Å |
| 339 | F | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.7 | 173.6 | 178 | -92 | 0 | 0 | 0 | 109.2 | M272 F275 K276 Y279 W357 I358 F399 I415 F416 K417 | M272-F339 HydrophobicContact SD-CB 3.65Å; F275-F339 HydrophobicContact CD1-CG 4.42Å; F275-F339 HydrophobicContact CE1-CB 4.41Å; F275-F339 AromaticContact CE1-CD1 3.71Å; F275-F339 HydrophobicContact CE1-CD1 3.71Å; F275-F339 HydrophobicContact CE1-CD2 4.02Å; F275-F339 AromaticContact CE1-CE1 3.86Å; F275-F339 HydrophobicContact CE1-CE1 3.86Å; F275-F339 HydrophobicContact CE1-CE2 4.15Å; F275-F339 AromaticContact CE1-CG 3.78Å; F275-F339 HydrophobicContact CE1-CG 3.78Å; F275-F339 HydrophobicContact CE1-CZ 4.07Å; F275-F339 HydrophobicContact CZ-CD1 4.41Å; F275-F339 HydrophobicContact CZ-CE1 4.16Å; F275-F339 HydrophobicContact CZ-CZ 4.31Å; K276-F339 HydrophobicContact CG-CD2 3.86Å; K276-F339 HydrophobicContact CG-CE2 4.47Å; Y279-F339 AromaticContact CD1-CE2 3.88Å; Y279-F339 HydrophobicContact CD1-CE2 3.88Å; Y279-F339 AromaticContact CD1-CZ 3.7Å; Y279-F339 HydrophobicContact CD1-CZ 3.7Å; Y279-F339 HydrophobicContact CD2-CZ 4.02Å; Y279-F339 HydrophobicContact CE1-CE2 4.28Å; Y279-F339 AromaticContact CE1-CZ 3.78Å; Y279-F339 HydrophobicContact CE1-CZ 3.78Å; Y279-F339 HydrophobicContact CE2-CZ 4.09Å; Y279-F339 HydrophobicContact CG-CE2 4.15Å; Y279-F339 AromaticContact CG-CZ 3.84Å; Y279-F339 HydrophobicContact CG-CZ 3.84Å; Y279-F339 AromaticContact CZ-CZ 3.98Å; F339-W357 CarbonylContact O-C 3.47Å; F339-W357 WeakPolarHBondContact O-CA 3.16Å; F339-I358 PolarHBondContact N-O 3.44Å; F339-I358 PolarHBondContact O-N 3.2Å; F339-F399 HydrophobicContact CD1-CE1 4.04Å; F339-F399 HydrophobicContact CD1-CE2 4.31Å; F339-F399 AromaticContact CD1-CZ 3.64Å; F339-F399 HydrophobicContact CD1-CZ 3.64Å; F339-F399 HydrophobicContact CE1-CD1 4.15Å; F339-F399 HydrophobicContact CE1-CD2 4.41Å; F339-F399 AromaticContact CE1-CE1 3.61Å; F339-F399 HydrophobicContact CE1-CE1 3.61Å; F339-F399 AromaticContact CE1-CE2 3.91Å; F339-F399 HydrophobicContact CE1-CE2 3.91Å; F339-F399 AromaticContact CE1-CZ 3.45Å; F339-F399 HydrophobicContact CE1-CZ 3.45Å; F339-F399 VanDerWaalsContact CE1-CZ 3.45Å; F339-I415 HydrophobicContact CD2-CG2 4.34Å; F339-I415 HydrophobicContact CE2-CG2 3.51Å; F339-I415 HydrophobicContact CZ-CG2 3.76Å; F339-F416 CarbonylContact C-O 3.56Å; F339-F416 VanDerWaalsContact CA-O 3.31Å; F339-F416 WeakPolarHBondContact CA-O 3.33Å; F339-F416 WeakPolarHBondContact CD2-O 3.45Å; F339-K417 HydrophobicContact CD2-CB 3.95Å; F339-K417 HydrophobicContact CE2-CB 4.18Å |
| 340 | A | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 153.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V342 I356 W357 I415 F416 | A340-V342 HydrophobicContact CB-CG2 4.49Å; A340-I356 CarbonylContact C-O 3.15Å; A340-I356 WeakPolarHBondContact CA-O 3.44Å; A340-I356 WeakPolarHBondContact CB-O 3.41Å; A340-W357 HydrophobicContact CB-CB 4.27Å; A340-W357 HydrophobicContact CB-CD2 3.27Å; A340-W357 HydrophobicContact CB-CE3 3.47Å; A340-W357 VanDerWaalsContact CB-CE3 3.47Å; A340-W357 HydrophobicContact CB-CG 3.67Å; A340-W357 HydrophobicContact CB-CH2 4.01Å; A340-W357 HydrophobicContact CB-CZ2 3.87Å; A340-W357 HydrophobicContact CB-CZ3 3.84Å; A340-I415 CarbonylContact O-C 3.6Å; A340-I415 VanDerWaalsContact O-CA 3.32Å; A340-I415 WeakPolarHBondContact O-CA 3.43Å; A340-F416 HydrophobicContact CB-CB 3.81Å; A340-F416 PolarHBondContact N-O 3.5Å; A340-F416 PolarHBondContact O-N 3.32Å |
| 341 | S | 97.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113.6 | 164.5 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | G355 I356 Y398 W401 | S341-G355 CarbonylContact O-C 3.48Å; S341-G355 WeakPolarHBondContact O-CA 3.42Å; S341-I356 PolarHBondContact N-O 3.48Å; S341-I356 PolarHBondContact O-N 3.28Å; S341-Y398 VanDerWaalsContact CB-O 3.25Å; S341-Y398 WeakPolarHBondContact CB-O 3.35Å; S341-Y398 PolarHBondContact OG-O 2.85Å; S341-W401 PolarHBondContact OG-NE1 2.97Å |
| 342 | V | 97.2 | Very high | 92 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.2 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | I324 F328 A340 I353 W357 G413 K414 | I324-V342 HydrophobicContact CD1-CG1 3.81Å; I324-V342 HydrophobicContact CG1-CG1 4Å; I324-V342 HydrophobicContact CG2-CB 4.02Å; I324-V342 HydrophobicContact CG2-CG1 4.03Å; F328-V342 HydrophobicContact CE1-CG2 3.86Å; F328-V342 HydrophobicContact CZ-CB 4.02Å; F328-V342 HydrophobicContact CZ-CG2 3.69Å; A340-V342 HydrophobicContact CB-CG2 4.49Å; V342-I353 HydrophobicContact CG1-CG2 3.55Å; V342-W357 HydrophobicContact CG2-CZ2 3.9Å; V342-G413 CarbonylContact O-C 3.57Å; V342-G413 WeakPolarHBondContact O-CA 3.5Å; V342-K414 PolarHBondContact N-O 2.84Å; V342-K414 PolarHBondContact O-N 3.05Å |
| 343 | C | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 141.7 | -175.6 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | F345 I353 S354 Y398 W401 F410 Q412 | C343-F345 HydrophobicContact CB-CD2 4.34Å; C343-F345 HydrophobicContact CB-CE1 4.09Å; C343-F345 HydrophobicContact CB-CE2 3.49Å; C343-F345 VanDerWaalsContact CB-CE2 3.49Å; C343-F345 HydrophobicContact CB-CZ 3.36Å; C343-I353 WeakPolarHBondContact O-CA 3.48Å; C343-S354 PolarHBondContact N-O 3.07Å; C343-S354 PolarHBondContact O-N 3.19Å; C343-S354 VanDerWaalsContact O-N 3.14Å; C343-Y398 HydrophobicContact CB-CD1 4.36Å; C343-Y398 HydrophobicContact CB-CE1 4.17Å; C343-W401 VanDerWaalsContact SG-CD1 3.51Å; C343-F410 HydrophobicContact CB-CD2 4.23Å; C343-F410 HydrophobicContact CB-CE2 4.11Å; C343-Q412 CarbonylContact C-O 3.32Å; C343-Q412 WeakPolarHBondContact CA-O 3.5Å |
| 344 | V | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.9 | 163.6 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | V317 I324 A351 S352 I353 N411 Q412 | V317-V344 HydrophobicContact CG1-CG1 4.17Å; I324-V344 HydrophobicContact CD1-CG2 3.45Å; I324-V344 VanDerWaalsContact CD1-CG2 3.45Å; V344-A351 HydrophobicContact CG1-CB 4.39Å; V344-S352 WeakPolarHBondContact CA-O 3.44Å; V344-I353 HydrophobicContact CG2-CG1 4.33Å; V344-N411 WeakPolarHBondContact O-CB 3.35Å; V344-N411 PolarHBondContact O-N 3.11Å; V344-Q412 PolarHBondContact N-O 3.44Å; V344-Q412 PolarHBondContact O-N 3.44Å |
| 345 | F | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 154.2 | 177.6 | -57.5 | -85.3 | 0 | 0 | 0 | 110.3 | C343 A351 S352 S354 Y398 F405 K408 T409 F410 | C343-F345 HydrophobicContact CB-CD2 4.34Å; C343-F345 HydrophobicContact CB-CE1 4.09Å; C343-F345 HydrophobicContact CB-CE2 3.49Å; C343-F345 VanDerWaalsContact CB-CE2 3.49Å; C343-F345 HydrophobicContact CB-CZ 3.36Å; F345-A351 CarbonylContact O-C 3.58Å; F345-A351 WeakPolarHBondContact O-CA 3.35Å; F345-S352 PolarHBondContact N-O 2.88Å; F345-S352 PolarHBondContact O-N 3.2Å; F345-S354 WeakPolarHBondContact CE2-OG 3.3Å; F345-Y398 HydrophobicContact CE2-CE1 4.16Å; F345-Y398 AromaticContact CZ-CE1 3.91Å; F345-Y398 HydrophobicContact CZ-CE1 3.91Å; F345-Y398 AromaticContact CZ-CZ 3.84Å; F345-F405 HydrophobicContact CD1-CB 4.27Å; F345-F405 HydrophobicContact CD1-CG 4.37Å; F345-F405 HydrophobicContact CE1-CB 3.6Å; F345-F405 AromaticContact CE1-CD1 3.54Å; F345-F405 HydrophobicContact CE1-CD1 3.54Å; F345-F405 AromaticContact CE1-CD2 3.94Å; F345-F405 HydrophobicContact CE1-CD2 3.94Å; F345-F405 HydrophobicContact CE1-CE1 4.12Å; F345-F405 HydrophobicContact CE1-CE2 4.49Å; F345-F405 AromaticContact CE1-CG 3.43Å; F345-F405 HydrophobicContact CE1-CG 3.43Å; F345-F405 VanDerWaalsContact CE1-CG 3.43Å; F345-F405 HydrophobicContact CZ-CB 4.22Å; F345-F405 AromaticContact CZ-CD1 3.75Å; F345-F405 HydrophobicContact CZ-CD1 3.75Å; F345-F405 HydrophobicContact CZ-CE1 4.29Å; F345-F405 HydrophobicContact CZ-CG 4.08Å; F345-K408 HydrophobicContact CB-CB 3.91Å; F345-K408 HydrophobicContact CB-CD 4.48Å; F345-K408 HydrophobicContact CD1-CB 3.52Å; F345-K408 HydrophobicContact CD1-CD 4.46Å; F345-K408 HydrophobicContact CD2-CB 4.48Å; F345-K408 HydrophobicContact CD2-CD 4Å; F345-K408 HydrophobicContact CE1-CB 4.18Å; F345-K408 HydrophobicContact CE2-CD 4.39Å; F345-K408 HydrophobicContact CG-CB 3.7Å; F345-K408 HydrophobicContact CG-CD 4.04Å; F345-K408 HydrophobicContact CG-CG 4.45Å; F345-T409 CarbonylContact C-O 3.5Å; F345-T409 WeakPolarHBondContact CA-O 3.48Å; F345-T409 WeakPolarHBondContact CB-O 3.37Å; F345-F410 HydrophobicContact CD1-CB 4.46Å; F345-F410 HydrophobicContact CE1-CB 4.45Å; F345-F410 HydrophobicContact CE1-CD2 4.34Å |
| 346 | G | 92 | Very high | 93.6 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 18% | 0.175 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86 | -151.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | N350 T409 N411 | G346-N350 WeakPolarHBondContact CA-O 3.49Å; G346-T409 PolarHBondContact N-O 2.94Å; G346-N411 PolarHBondContact O-ND2 3.31Å |
| 347 | T | 89.3 | Confident | 94 | Very high | 89 Ų | 89 | 22.7 Ų | 22.7 | 55% | 0.546 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 176.3 | -174.4 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | N349 N350 A351 | T347-N349 PolarHBondContact O-N 3.39Å; T347-N350 PolarHBondContact N-O 2.86Å; T347-N350 CarbonylContact O-C 3.51Å; T347-N350 PolarHBondContact O-N 2.85Å; T347-A351 PolarHBondContact O-N 2.88Å |
| 348 | D | 87.9 | Confident | 94.3 | Very high | 67 Ų | 67 | 21.7 Ų | 21.7 | 36% | 0.358 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 133.6 | 174.3 | -79.6 | -1.1 | 0 | 0 | 0 | 111.4 | A315 K316 V317 N350 | A315-D348 CarbonylContact O-C 3.49Å; K316-D348 WeakPolarHBondContact CA-OD1 3.24Å; K316-D348 HydrophobicContact CD-CB 4.19Å; K316-D348 VanDerWaalsContact CD-CG 3.42Å; K316-D348 WeakPolarHBondContact CD-OD2 3.15Å; K316-D348 IonicContact NZ-OD2 2.77Å; K316-D348 PolarHBondContact NZ-OD2 3.01Å; V317-D348 PolarHBondContact N-OD1 3.48Å; D348-N350 PolarHBondContact O-N 3.3Å |
| 349 | N | 84.5 | Confident | 94.3 | Very high | 126 Ų | 126 | 21.7 Ų | 21.7 | 67% | 0.674 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 0.4 | -175.2 | -43.2 | -73.7 | 0 | 0 | 0 | 116.3 | A315 T347 | A315-N349 PolarHBondContact O-N 3.07Å; A315-N349 PolarHBondContact O-OD1 3.49Å; T347-N349 PolarHBondContact O-N 3.39Å |
| 350 | N | 88.5 | Confident | 94.2 | Very high | 126 Ų | 126 | 23 Ų | 23 | 67% | 0.674 | 13% | 0.131 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 60.1 | 172.9 | -172.5 | 24.6 | 0 | 0 | 0 | 109.5 | G346 T347 D348 | G346-N350 WeakPolarHBondContact CA-O 3.49Å; T347-N350 PolarHBondContact N-O 2.86Å; T347-N350 CarbonylContact O-C 3.51Å; T347-N350 PolarHBondContact O-N 2.85Å; D348-N350 PolarHBondContact O-N 3.3Å |
| 351 | A | 90 | Very high | 94 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 150.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L314 V344 F345 T347 | L314-A351 HydrophobicContact CB-CB 3.97Å; L314-A351 HydrophobicContact CD1-CB 4.34Å; V344-A351 HydrophobicContact CG1-CB 4.39Å; F345-A351 CarbonylContact O-C 3.58Å; F345-A351 WeakPolarHBondContact O-CA 3.35Å; T347-A351 PolarHBondContact O-N 2.88Å |
| 352 | S | 94.1 | Very high | 93.8 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 15% | 0.154 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 157.2 | 168.1 | 63.1 | 0 | 0 | 0 | 0 | 110.2 | V344 F345 | V344-S352 WeakPolarHBondContact CA-O 3.44Å; F345-S352 PolarHBondContact N-O 2.88Å; F345-S352 PolarHBondContact O-N 3.2Å |
| 353 | I | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129 | 179 | -58.2 | 167.5 | 0 | 0 | 0 | 108.3 | Y308 L314 L323 I324 V342 C343 V344 Y379 | Y308-I353 HydrophobicContact CD1-CD1 4.49Å; Y308-I353 HydrophobicContact CG-CD1 4.45Å; Y308-I353 PolarHBondContact N-O 3.19Å; L314-I353 HydrophobicContact CD1-CD1 3.75Å; L314-I353 HydrophobicContact CD1-CG1 3.71Å; L314-I353 HydrophobicContact CD2-CD1 4.01Å; L323-I353 HydrophobicContact CD2-CD1 4.3Å; I324-I353 HydrophobicContact CD1-CD1 4.3Å; I324-I353 HydrophobicContact CD1-CG1 4.34Å; I324-I353 HydrophobicContact CD1-CG2 3.82Å; I324-I353 HydrophobicContact CG1-CD1 4.24Å; I324-I353 HydrophobicContact CG1-CG2 4.02Å; V342-I353 HydrophobicContact CG1-CG2 3.55Å; C343-I353 WeakPolarHBondContact O-CA 3.48Å; V344-I353 HydrophobicContact CG2-CG1 4.33Å; I353-Y379 HydrophobicContact CG2-CE1 4.06Å |
| 354 | S | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 166.2 | 168.1 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | Y305 C306 C343 F345 Y398 | Y305-S354 WeakPolarHBondContact OH-CB 3.34Å; Y305-S354 PolarHBondContact OH-OG 2.71Å; C306-S354 CarbonylContact O-C 3.6Å; C306-S354 WeakPolarHBondContact O-CA 3.28Å; C306-S354 WeakPolarHBondContact O-CB 3.36Å; C343-S354 PolarHBondContact N-O 3.07Å; C343-S354 PolarHBondContact O-N 3.19Å; C343-S354 VanDerWaalsContact O-N 3.14Å; F345-S354 WeakPolarHBondContact CE2-OG 3.3Å; S354-Y398 WeakPolarHBondContact O-CE1 3.33Å; S354-Y398 PolarHBondContact OG-OH 3.03Å |
| 355 | G | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 161 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y305 C306 S341 | Y305-G355 WeakPolarHBondContact CA-O 3.43Å; Y305-G355 WeakPolarHBondContact CD2-O 3.36Å; C306-G355 PolarHBondContact N-O 3.4Å; C306-G355 PolarHBondContact O-N 2.93Å; C306-G355 PolarHBondContact SG-N 3.05Å; C306-G355 VanDerWaalsContact SG-N 3.45Å; S341-G355 CarbonylContact O-C 3.48Å; S341-G355 WeakPolarHBondContact O-CA 3.42Å |
| 356 | I | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.3 | 172.1 | -66.4 | -67.6 | 0 | 0 | 0 | 108.7 | I303 W304 Y305 A340 S341 L384 L394 V395 Y398 F399 | I303-I356 HydrophobicContact CG2-CG2 3.9Å; W304-I356 CarbonylContact O-C 3.53Å; W304-I356 WeakPolarHBondContact O-CA 3.29Å; Y305-I356 HydrophobicContact CD2-CD1 3.86Å; A340-I356 CarbonylContact C-O 3.15Å; A340-I356 WeakPolarHBondContact CA-O 3.44Å; A340-I356 WeakPolarHBondContact CB-O 3.41Å; S341-I356 PolarHBondContact N-O 3.48Å; S341-I356 PolarHBondContact O-N 3.28Å; I356-L384 HydrophobicContact CD1-CD1 3.73Å; I356-L394 HydrophobicContact CD1-CB 4.08Å; I356-V395 HydrophobicContact CG2-CG2 4.16Å; I356-Y398 HydrophobicContact CB-CG 4.4Å; I356-Y398 HydrophobicContact CG1-CD1 4.2Å; I356-Y398 HydrophobicContact CG1-CD2 3.94Å; I356-Y398 HydrophobicContact CG1-CG 3.67Å; I356-F399 HydrophobicContact CB-CE1 4.28Å; I356-F399 HydrophobicContact CG2-CE1 3.83Å; I356-F399 HydrophobicContact CG2-CZ 4.41Å |
| 357 | W | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.6 | 179.2 | -68.4 | 72.2 | 0 | 0 | 0 | 111 | I303 W304 C306 M327 F328 L331 F339 A340 V342 W359 F366 W381 F416 | I303-W357 CarbonylContact C-O 3.57Å; I303-W357 WeakPolarHBondContact CA-O 3.2Å; W304-W357 HydrophobicContact CB-CB 4.27Å; W304-W357 PolarHBondContact N-O 3.38Å; W304-W357 PolarHBondContact O-N 3.43Å; C306-W357 PolarHBondContact SG-NE1 3.25Å; M327-W357 HydrophobicContact CE-CH2 3.8Å; M327-W357 HydrophobicContact CE-CZ2 3.37Å; F328-W357 HydrophobicContact CD1-CH2 4.06Å; F328-W357 HydrophobicContact CD1-CZ2 4.4Å; F328-W357 AromaticContact CE1-CH2 3.71Å; F328-W357 HydrophobicContact CE1-CH2 3.71Å; F328-W357 AromaticContact CE1-CZ2 3.69Å; F328-W357 HydrophobicContact CE1-CZ2 3.69Å; L331-W357 HydrophobicContact CD1-CH2 3.69Å; L331-W357 HydrophobicContact CD1-CZ3 4.11Å; F339-W357 CarbonylContact O-C 3.47Å; F339-W357 WeakPolarHBondContact O-CA 3.16Å; A340-W357 HydrophobicContact CB-CB 4.27Å; A340-W357 HydrophobicContact CB-CD2 3.27Å; A340-W357 HydrophobicContact CB-CE3 3.47Å; A340-W357 VanDerWaalsContact CB-CE3 3.47Å; A340-W357 HydrophobicContact CB-CG 3.67Å; A340-W357 HydrophobicContact CB-CH2 4.01Å; A340-W357 HydrophobicContact CB-CZ2 3.87Å; A340-W357 HydrophobicContact CB-CZ3 3.84Å; V342-W357 HydrophobicContact CG2-CZ2 3.9Å; W357-W359 HydrophobicContact CB-CE3 3.71Å; W357-W359 HydrophobicContact CB-CH2 4.19Å; W357-W359 HydrophobicContact CB-CZ3 3.25Å; W357-W359 HydrophobicContact CD2-CZ3 4.07Å; W357-W359 HydrophobicContact CE3-CE3 4.22Å; W357-W359 HydrophobicContact CE3-CZ3 4Å; W357-W359 HydrophobicContact CG-CE3 4.49Å; W357-W359 AromaticContact CG-CZ3 3.81Å; W357-W359 HydrophobicContact CG-CZ3 3.81Å; W357-F366 HydrophobicContact CD2-CZ 4.46Å; W357-F366 HydrophobicContact CE3-CZ 4.13Å; W357-F366 HydrophobicContact CH2-CZ 4.33Å; W357-F366 HydrophobicContact CZ3-CZ 4.07Å; W357-W381 AromaticContact CD1-CZ3 3.63Å; W357-W381 HydrophobicContact CD2-CH2 4.24Å; W357-W381 HydrophobicContact CD2-CZ3 4.18Å; W357-W381 AromaticContact CE2-CH2 3.93Å; W357-W381 HydrophobicContact CG-CH2 4.38Å; W357-W381 AromaticContact CG-CZ3 3.87Å; W357-W381 HydrophobicContact CG-CZ3 3.87Å; W357-W381 HydrophobicContact CZ2-CH2 4.47Å; W357-W381 AromaticContact NE1-CH2 3.76Å; W357-W381 AromaticContact NE1-CZ3 3.82Å; W357-F416 HydrophobicContact CH2-CB 4.45Å; W357-F416 HydrophobicContact CH2-CD1 4.43Å; W357-F416 HydrophobicContact CH2-CG 4.31Å; W357-F416 AromaticContact CZ3-CD1 3.84Å; W357-F416 HydrophobicContact CZ3-CD1 3.84Å; W357-F416 HydrophobicContact CZ3-CE1 4.26Å; W357-F416 HydrophobicContact CZ3-CG 4.17Å |
| 358 | I | 97.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 132.4 | 177.2 | -52.8 | -174.5 | 0 | 0 | 0 | 108.1 | M272 F292 F296 S302 I303 A338 F339 F399 | M272-I358 HydrophobicContact CE-CG2 4.05Å; F292-I358 HydrophobicContact CD2-CD1 4.12Å; F292-I358 HydrophobicContact CE1-CD1 4.18Å; F292-I358 HydrophobicContact CE2-CD1 3.2Å; F292-I358 HydrophobicContact CZ-CD1 3.25Å; F296-I358 HydrophobicContact CE2-CG2 3.82Å; S302-I358 WeakPolarHBondContact O-CA 3.44Å; I303-I358 HydrophobicContact CG1-CG1 4.48Å; A338-I358 CarbonylContact C-O 3.54Å; A338-I358 WeakPolarHBondContact CA-O 3.27Å; A338-I358 WeakPolarHBondContact CB-O 3.33Å; F339-I358 PolarHBondContact N-O 3.44Å; F339-I358 PolarHBondContact O-N 3.2Å; I358-F399 HydrophobicContact CD1-CE2 4.04Å; I358-F399 HydrophobicContact CD1-CZ 3.49Å; I358-F399 VanDerWaalsContact CD1-CZ 3.49Å; I358-F399 HydrophobicContact CG1-CZ 4.23Å |
| 359 | W | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 167.1 | 173.4 | 54.8 | 74.1 | 0 | 0 | 0 | 112.5 | F262 Y301 S302 W304 M334 N337 A338 W357 E363 L364 A365 F366 W381 | F262-W359 HydrophobicContact CE1-CB 4.3Å; F262-W359 HydrophobicContact CZ-CB 4.48Å; Y301-W359 WeakPolarHBondContact CA-O 3.26Å; Y301-W359 VanDerWaalsContact CD1-C 3.47Å; Y301-W359 WeakPolarHBondContact CD1-O 3.3Å; S302-W359 PolarHBondContact N-O 3.07Å; S302-W359 VanDerWaalsContact N-O 3.09Å; S302-W359 PolarHBondContact O-N 3.39Å; W304-W359 HydrophobicContact CB-CH2 3.53Å; W304-W359 HydrophobicContact CB-CZ2 3.97Å; W304-W359 HydrophobicContact CB-CZ3 4.11Å; W304-W359 AromaticContact CD1-CE2 3.38Å; W304-W359 AromaticContact CD1-CH2 3.57Å; W304-W359 AromaticContact CD1-CZ2 3.08Å; W304-W359 AromaticContact CD1-NE1 3.87Å; W304-W359 AromaticContact CD2-CH2 3.82Å; W304-W359 HydrophobicContact CD2-CH2 3.82Å; W304-W359 AromaticContact CD2-CZ2 3.43Å; W304-W359 HydrophobicContact CD2-CZ2 3.43Å; W304-W359 VanDerWaalsContact CD2-CZ2 3.43Å; W304-W359 AromaticContact CE2-CZ2 3.4Å; W304-W359 VanDerWaalsContact CE2-CZ2 3.4Å; W304-W359 HydrophobicContact CE3-CZ2 4.29Å; W304-W359 AromaticContact CG-CH2 3.35Å; W304-W359 HydrophobicContact CG-CH2 3.35Å; W304-W359 AromaticContact CG-CZ2 3.23Å; W304-W359 HydrophobicContact CG-CZ2 3.23Å; W304-W359 HydrophobicContact CG-CZ3 4.23Å; W304-W359 HydrophobicContact CZ2-CZ2 4.21Å; W304-W359 AromaticContact NE1-CE2 3.38Å; W304-W359 AromaticContact NE1-CZ2 3.18Å; W304-W359 AromaticContact NE1-NE1 3.46Å; M334-W359 HydrophobicContact CE-CB 4.04Å; M334-W359 HydrophobicContact CE-CD2 3.88Å; M334-W359 HydrophobicContact CE-CE3 3.54Å; M334-W359 HydrophobicContact CE-CG 4.12Å; M334-W359 HydrophobicContact CE-CZ3 4.2Å; N337-W359 VanDerWaalsContact O-CA 3.28Å; N337-W359 WeakPolarHBondContact O-CA 3.37Å; A338-W359 HydrophobicContact CB-CB 3.77Å; W357-W359 HydrophobicContact CB-CE3 3.71Å; W357-W359 HydrophobicContact CB-CH2 4.19Å; W357-W359 HydrophobicContact CB-CZ3 3.25Å; W357-W359 HydrophobicContact CD2-CZ3 4.07Å; W357-W359 HydrophobicContact CE3-CE3 4.22Å; W357-W359 HydrophobicContact CE3-CZ3 4Å; W357-W359 HydrophobicContact CG-CE3 4.49Å; W357-W359 AromaticContact CG-CZ3 3.81Å; W357-W359 HydrophobicContact CG-CZ3 3.81Å; W359-E363 PolarHBondContact NE1-O 3.35Å; W359-L364 HydrophobicContact CH2-CD1 3.83Å; W359-L364 HydrophobicContact CZ2-CD1 3.81Å; W359-A365 HydrophobicContact CD2-CB 3.78Å; W359-A365 HydrophobicContact CE3-CB 4.41Å; W359-A365 HydrophobicContact CG-CB 3.8Å; W359-A365 HydrophobicContact CZ2-CB 4.31Å; W359-F366 AromaticContact CH2-CE2 3.93Å; W359-F366 HydrophobicContact CH2-CE2 3.93Å; W359-F366 AromaticContact CZ3-CE2 3.95Å; W359-F366 HydrophobicContact CZ3-CE2 3.95Å; W359-F366 HydrophobicContact CZ3-CZ 4.44Å; W359-W381 HydrophobicContact CH2-CE3 4.08Å; W359-W381 HydrophobicContact CH2-CZ3 4Å; W359-W381 HydrophobicContact CZ3-CZ3 4.15Å |
| 360 | R | 94.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 37 Ų | 37 | 11% | 0.106 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.2 | 175 | -165.7 | 170.4 | 108 | -157.2 | 9.8 | 110.8 | F262 F265 P266 Y301 N337 | F262-R360 HydrophobicContact CD1-CB 4Å; F262-R360 WeakPolarHBondContact CD1-O 3.49Å; F262-R360 HydrophobicContact CE1-CB 4.43Å; F262-R360 WeakPolarHBondContact CE1-O 3.41Å; F262-R360 PolarHBondContact O-NH2 3Å; F265-R360 HydrophobicContact CB-CG 4.11Å; F265-R360 PolarHBondContact O-NE 3.38Å; F265-R360 PolarHBondContact O-NH2 2.86Å; P266-R360 VanDerWaalsContact O-CD 3.23Å; P266-R360 WeakPolarHBondContact O-CD 3.07Å; P266-R360 PolarHBondContact O-NE 3.47Å; P266-R360 VanDerWaalsContact O-NE 3.17Å; Y301-R360 HydrophobicContact CD1-CB 4.16Å; Y301-R360 HydrophobicContact CE1-CB 3.69Å; Y301-R360 HydrophobicContact CE1-CG 4.18Å; Y301-R360 HydrophobicContact CE2-CG 4.34Å; N337-R360 HydrophobicContact CB-CB 4.5Å; N337-R360 PolarHBondContact O-N 3.26Å; N337-R360 PolarHBondContact OD1-NH1 3.41Å |
| 361 | G | 93.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 93.2 | 169.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N300 S302 | N300-G361 PolarHBondContact O-N 3.37Å; S302-G361 WeakPolarHBondContact CB-O 3.33Å; S302-G361 PolarHBondContact OG-O 3.13Å |
| 362 | H | 93.5 | Very high | 92.5 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 35% | 0.352 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -108.7 | -5.1 | -173.2 | -81 | -58.5 | 0 | 0 | 0 | 114.2 | P298 E299 Y301 K383 | P298-H362 PolarHBondContact O-CE1 3.28Å; P298-H362 PolarHBondContact O-NE2 2.83Å; E299-H362 PolarHBondContact O-CD2 2.76Å; E299-H362 PolarHBondContact O-NE2 2.94Å; Y301-H362 PolarHBondContact O-CE1 2.82Å; H362-K383 VanDerWaalsContact CG-NZ 3.31Å; H362-K383 WeakPolarHBondContact ND1-CE 3.38Å; H362-K383 PolarHBondContact ND1-NZ 2.81Å; H362-K383 PolarHBondContact O-NZ 3.46Å; H362-K383 VanDerWaalsContact O-NZ 3.12Å |
| 363 | E | 92.1 | Very high | 92.2 | Very high | 120 Ų | 120 | 37 Ų | 37 | 56% | 0.561 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -91.8 | 163.2 | 177.5 | -60.5 | -176.7 | 173.1 | 0 | 0 | 110.7 | W359 A365 | W359-E363 PolarHBondContact NE1-O 3.35Å; E363-A365 PolarHBondContact O-N 3.12Å; E363-A365 VanDerWaalsContact O-N 3.09Å |
| 364 | L | 93.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | trans | -70.4 | 105.9 | 175 | -175.1 | 64.4 | 0 | 0 | 0 | 109.4 | W304 W359 F366 K367 Y376 W381 | W304-L364 HydrophobicContact CD2-CD1 4.33Å; W304-L364 HydrophobicContact CE3-CD1 3.87Å; W304-L364 HydrophobicContact CH2-CB 3.95Å; W304-L364 HydrophobicContact CH2-CD1 4.24Å; W304-L364 HydrophobicContact CZ2-CB 4.41Å; W304-L364 HydrophobicContact CZ3-CB 4.3Å; W304-L364 HydrophobicContact CZ3-CD1 3.83Å; W359-L364 HydrophobicContact CH2-CD1 3.83Å; W359-L364 HydrophobicContact CZ2-CD1 3.81Å; L364-F366 HydrophobicContact CD1-CD2 3.83Å; L364-F366 HydrophobicContact CD1-CE2 4.28Å; L364-F366 HydrophobicContact CG-CD2 4.05Å; L364-F366 PolarHBondContact O-N 2.88Å; L364-F366 VanDerWaalsContact O-N 3.08Å; L364-K367 PolarHBondContact O-N 3.37Å; L364-Y376 HydrophobicContact CD2-CD2 4.02Å; L364-Y376 HydrophobicContact CD2-CE2 4.01Å; L364-W381 HydrophobicContact CD1-CB 3.92Å; L364-W381 HydrophobicContact CD1-CD2 3.82Å; L364-W381 HydrophobicContact CD1-CE3 3.98Å; L364-W381 HydrophobicContact CD1-CG 3.78Å; L364-W381 HydrophobicContact CD2-CB 4.38Å; L364-W381 HydrophobicContact CD2-CG 4.2Å | ||
| 365 | A | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -57.5 | -30.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F262 M334 W359 E363 K367 L368 W372 | F262-A365 HydrophobicContact CE1-CB 4.14Å; F262-A365 HydrophobicContact CZ-CB 3.94Å; M334-A365 HydrophobicContact CE-CB 3.34Å; M334-A365 HydrophobicContact SD-CB 4.29Å; W359-A365 HydrophobicContact CD2-CB 3.78Å; W359-A365 HydrophobicContact CE3-CB 4.41Å; W359-A365 HydrophobicContact CG-CB 3.8Å; W359-A365 HydrophobicContact CZ2-CB 4.31Å; E363-A365 PolarHBondContact O-N 3.12Å; E363-A365 VanDerWaalsContact O-N 3.09Å; A365-K367 PolarHBondContact O-N 3.01Å; A365-L368 HydrophobicContact CB-CD1 4.14Å; A365-L368 VanDerWaalsContact O-CB 3.24Å; A365-L368 WeakPolarHBondContact O-CB 3.42Å; A365-L368 VanDerWaalsContact O-CG 3.23Å; A365-L368 WeakPolarHBondContact O-CG 3.28Å; A365-L368 PolarHBondContact O-N 3.06Å; A365-W372 WeakPolarHBondContact O-CZ3 3.44Å |
| 366 | F | 92.2 | Very high | 91 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -58.2 | -22.6 | 177.8 | -56.5 | -77.8 | 0 | 0 | 0 | 113.9 | L331 M334 W357 W359 L364 L368 W372 Q373 Y376 W381 | L331-F366 HydrophobicContact CD1-CE1 3.66Å; L331-F366 HydrophobicContact CD1-CZ 4.43Å; L331-F366 HydrophobicContact CD2-CD1 3.85Å; L331-F366 HydrophobicContact CD2-CE1 3.67Å; L331-F366 HydrophobicContact CG-CE1 4.32Å; M334-F366 HydrophobicContact SD-CE1 4.18Å; M334-F366 HydrophobicContact SD-CZ 4.5Å; W357-F366 HydrophobicContact CD2-CZ 4.46Å; W357-F366 HydrophobicContact CE3-CZ 4.13Å; W357-F366 HydrophobicContact CH2-CZ 4.33Å; W357-F366 HydrophobicContact CZ3-CZ 4.07Å; W359-F366 AromaticContact CH2-CE2 3.93Å; W359-F366 HydrophobicContact CH2-CE2 3.93Å; W359-F366 AromaticContact CZ3-CE2 3.95Å; W359-F366 HydrophobicContact CZ3-CE2 3.95Å; W359-F366 HydrophobicContact CZ3-CZ 4.44Å; L364-F366 HydrophobicContact CD1-CD2 3.83Å; L364-F366 HydrophobicContact CD1-CE2 4.28Å; L364-F366 HydrophobicContact CG-CD2 4.05Å; L364-F366 PolarHBondContact O-N 2.88Å; L364-F366 VanDerWaalsContact O-N 3.08Å; F366-L368 VanDerWaalsContact C-N 3.31Å; F366-W372 HydrophobicContact CD1-CB 4.19Å; F366-Q373 WeakPolarHBondContact O-CG 3.44Å; F366-Y376 HydrophobicContact CB-CD1 4.2Å; F366-Y376 HydrophobicContact CB-CD2 3.66Å; F366-Y376 HydrophobicContact CB-CE2 4.32Å; F366-Y376 HydrophobicContact CB-CG 3.57Å; F366-Y376 HydrophobicContact CD2-CD2 4.31Å; F366-Y376 HydrophobicContact CD2-CG 4.44Å; F366-Y376 HydrophobicContact CG-CD2 4.14Å; F366-Y376 AromaticContact CG-CG 3.93Å; F366-Y376 HydrophobicContact CG-CG 3.93Å; F366-W381 HydrophobicContact CD2-CH2 4.14Å; F366-W381 AromaticContact CD2-CZ2 3.95Å; F366-W381 HydrophobicContact CD2-CZ2 3.95Å; F366-W381 HydrophobicContact CD2-CZ3 4.47Å; F366-W381 HydrophobicContact CE1-CH2 4.48Å; F366-W381 HydrophobicContact CE2-CD2 4.25Å; F366-W381 AromaticContact CE2-CE2 3.9Å; F366-W381 HydrophobicContact CE2-CE3 4.03Å; F366-W381 AromaticContact CE2-CH2 3.12Å; F366-W381 HydrophobicContact CE2-CH2 3.12Å; F366-W381 AromaticContact CE2-CZ2 3.36Å; F366-W381 HydrophobicContact CE2-CZ2 3.36Å; F366-W381 AromaticContact CE2-CZ3 3.46Å; F366-W381 HydrophobicContact CE2-CZ3 3.46Å; F366-W381 VanDerWaalsContact CE2-CZ3 3.46Å; F366-W381 AromaticContact CZ-CH2 3.34Å; F366-W381 HydrophobicContact CZ-CH2 3.34Å; F366-W381 AromaticContact CZ-CZ2 3.72Å; F366-W381 HydrophobicContact CZ-CZ2 3.72Å; F366-W381 HydrophobicContact CZ-CZ3 4.01Å |
| 367 | K | 88.7 | Confident | 90.6 | Very high | 137 Ų | 137 | 50.7 Ų | 50.7 | 60% | 0.596 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -80.5 | -10.3 | 177.4 | -63.5 | -174.8 | 175.7 | -177.7 | 0 | 113.7 | L364 A365 S369 Y376 | L364-K367 PolarHBondContact O-N 3.37Å; A365-K367 PolarHBondContact O-N 3.01Å; K367-S369 VanDerWaalsContact C-N 3.33Å; K367-Y376 HydrophobicContact CG-CE2 4.45Å |
| 368 | L | 87.6 | Confident | 90.4 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -77.7 | -18.2 | -177.2 | -56.9 | 171.8 | 0 | 0 | 0 | 113.3 | P261 F262 F265 A365 F366 W372 | P261-L368 HydrophobicContact CB-CB 3.84Å; F262-L368 HydrophobicContact CD1-CD1 4.11Å; F262-L368 HydrophobicContact CE1-CD1 3.89Å; F262-L368 HydrophobicContact CZ-CD1 4.25Å; F265-L368 HydrophobicContact CE2-CD1 3.6Å; F265-L368 HydrophobicContact CE2-CD2 3.81Å; F265-L368 HydrophobicContact CE2-CG 4.36Å; F265-L368 HydrophobicContact CZ-CD1 4.25Å; F265-L368 HydrophobicContact CZ-CD2 3.82Å; A365-L368 HydrophobicContact CB-CD1 4.14Å; A365-L368 VanDerWaalsContact O-CB 3.24Å; A365-L368 WeakPolarHBondContact O-CB 3.42Å; A365-L368 VanDerWaalsContact O-CG 3.23Å; A365-L368 WeakPolarHBondContact O-CG 3.28Å; A365-L368 PolarHBondContact O-N 3.06Å; F366-L368 VanDerWaalsContact C-N 3.31Å; L368-W372 HydrophobicContact CB-CE3 4.43Å; L368-W372 HydrophobicContact CB-CZ3 3.94Å; L368-W372 HydrophobicContact CD1-CZ3 4.35Å |
| 369 | S | 86.5 | Confident | 90.3 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 12% | 0.119 | 25% | 0.253 | C | S | . | . | trans | -145.7 | 132.8 | -179 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | K367 D371 W372 | K367-S369 VanDerWaalsContact C-N 3.33Å; S369-D371 PolarHBondContact O-N 3.41Å; S369-D371 PolarHBondContact OG-N 3.47Å; S369-W372 PolarHBondContact O-N 2.87Å; S369-W372 VanDerWaalsContact O-N 3.13Å | ||
| 370 | E | 84.1 | Confident | 90.2 | Very high | 170 Ų | 170 | 55.1 Ų | 55.1 | 79% | 0.794 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -58.3 | -33.1 | 175.6 | -65.9 | -176.9 | 173.2 | 0 | 0 | 111.6 | W372 Q373 | E370-W372 PolarHBondContact O-N 3.27Å; E370-W372 VanDerWaalsContact O-N 3.12Å; E370-Q373 PolarHBondContact O-N 3.29Å; E370-Q373 VanDerWaalsContact O-N 3.16Å |
| 371 | D | 82 | Confident | 90.4 | Very high | 77 Ų | 77 | 55.7 Ų | 55.7 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -61.3 | -22.5 | 178.8 | -68.3 | -15.5 | 0 | 0 | 0 | 113.9 | R333 S369 | R333-D371 IonicContact CZ-OD2 2.82Å; R333-D371 IonicContact NH1-OD2 3.39Å; R333-D371 PolarHBondContact NH1-OD2 3.3Å; S369-D371 PolarHBondContact O-N 3.41Å; S369-D371 PolarHBondContact OG-N 3.47Å |
| 372 | W | 88.9 | Confident | 90.5 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -95.1 | -3.3 | -176.3 | -57.5 | -18.7 | 0 | 0 | 0 | 112.9 | P261 F262 L331 R333 M334 A365 F366 L368 S369 E370 I374 | P261-W372 HydrophobicContact CB-CH2 3.6Å; P261-W372 HydrophobicContact CB-CZ2 4.41Å; P261-W372 HydrophobicContact CB-CZ3 3.95Å; P261-W372 HydrophobicContact CG-CH2 3.59Å; P261-W372 HydrophobicContact CG-CZ2 3.9Å; P261-W372 HydrophobicContact CG-CZ3 4.3Å; F262-W372 AromaticContact CD2-CH2 3.92Å; F262-W372 HydrophobicContact CD2-CH2 3.92Å; F262-W372 HydrophobicContact CD2-CZ3 4.49Å; F262-W372 AromaticContact CE2-CH2 3.36Å; F262-W372 HydrophobicContact CE2-CH2 3.36Å; F262-W372 HydrophobicContact CE2-CZ2 4.38Å; F262-W372 AromaticContact CE2-CZ3 3.74Å; F262-W372 HydrophobicContact CE2-CZ3 3.74Å; F262-W372 HydrophobicContact CZ-CH2 4.18Å; F262-W372 HydrophobicContact CZ-CZ3 4.09Å; L331-W372 HydrophobicContact CD2-CB 3.73Å; L331-W372 HydrophobicContact CD2-CG 3.89Å; R333-W372 HydrophobicContact CB-CZ2 4.14Å; M334-W372 HydrophobicContact CB-CD2 4.31Å; M334-W372 HydrophobicContact CB-CH2 4.22Å; M334-W372 HydrophobicContact CB-CZ2 3.86Å; M334-W372 HydrophobicContact CG-CH2 4.33Å; M334-W372 HydrophobicContact CG-CZ2 4.45Å; M334-W372 HydrophobicContact CG-CZ3 4.36Å; M334-W372 HydrophobicContact SD-CE3 4.41Å; A365-W372 WeakPolarHBondContact O-CZ3 3.44Å; F366-W372 HydrophobicContact CD1-CB 4.19Å; L368-W372 HydrophobicContact CB-CE3 4.43Å; L368-W372 HydrophobicContact CB-CZ3 3.94Å; L368-W372 HydrophobicContact CD1-CZ3 4.35Å; S369-W372 PolarHBondContact O-N 2.87Å; S369-W372 VanDerWaalsContact O-N 3.13Å; E370-W372 PolarHBondContact O-N 3.27Å; E370-W372 VanDerWaalsContact O-N 3.12Å; W372-I374 VanDerWaalsContact C-N 3.31Å; W372-I374 PolarHBondContact O-N 2.87Å |
| 373 | Q | 88.7 | Confident | 90.7 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 33% | 0.327 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 2.1 | -171.9 | -66.5 | -178.5 | 21.9 | 0 | 0 | 114.1 | F366 E370 Y376 | F366-Q373 WeakPolarHBondContact O-CG 3.44Å; E370-Q373 PolarHBondContact O-N 3.29Å; E370-Q373 VanDerWaalsContact O-N 3.16Å; Q373-Y376 VanDerWaalsContact CA-CD1 3.42Å; Q373-Y376 HydrophobicContact CB-CD1 4.02Å; Q373-Y376 HydrophobicContact CB-CE1 3.64Å; Q373-Y376 HydrophobicContact CG-CD1 4.3Å; Q373-Y376 HydrophobicContact CG-CE1 3.77Å; Q373-Y376 WeakPolarHBondContact O-CD1 3.22Å |
| 374 | I | 86.4 | Confident | 90.9 | Very high | 110 Ų | 110 | 55.1 Ų | 55.1 | 56% | 0.564 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -47.2 | -172.8 | -63.2 | 170.3 | 0 | 0 | 0 | 112.3 | W372 | W372-I374 VanDerWaalsContact C-N 3.31Å; W372-I374 PolarHBondContact O-N 2.87Å |
| 375 | D | 87.2 | Confident | 91.1 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -22.6 | -171.9 | -55.7 | -73.1 | 0 | 0 | 0 | 114 | M327 R330 E377 S378 | M327-D375 HydrophobicContact CB-CB 4.32Å; M327-D375 HydrophobicContact CG-CB 3.8Å; M327-D375 HydrophobicContact SD-CB 3.9Å; R330-D375 IonicContact CZ-OD1 3.92Å; R330-D375 IonicContact CZ-OD2 2.67Å; R330-D375 IonicContact NE-OD1 3.54Å; R330-D375 IonicContact NE-OD2 3.86Å; R330-D375 PolarHBondContact NE-OD2 3.16Å; R330-D375 IonicContact NH2-OD1 2.76Å; R330-D375 PolarHBondContact NH2-OD1 3.04Å; R330-D375 IonicContact NH2-OD2 3.82Å; R330-D375 PolarHBondContact NH2-OD2 3.14Å; D375-E377 PolarHBondContact O-N 3.33Å; D375-S378 VanDerWaalsContact O-CB 3.29Å; D375-S378 WeakPolarHBondContact O-CB 3.4Å; D375-S378 PolarHBondContact O-N 3.2Å; D375-S378 PolarHBondContact O-OG 3Å |
| 376 | Y | 90.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 60 Ų | 60 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -60.6 | -27.2 | -166.5 | 89.1 | -68 | 0 | 0 | 0 | 112.8 | L364 F366 K367 Q373 S378 Y379 W381 | L364-Y376 HydrophobicContact CD2-CD2 4.02Å; L364-Y376 HydrophobicContact CD2-CE2 4.01Å; F366-Y376 HydrophobicContact CB-CD1 4.2Å; F366-Y376 HydrophobicContact CB-CD2 3.66Å; F366-Y376 HydrophobicContact CB-CE2 4.32Å; F366-Y376 HydrophobicContact CB-CG 3.57Å; F366-Y376 HydrophobicContact CD2-CD2 4.31Å; F366-Y376 HydrophobicContact CD2-CG 4.44Å; F366-Y376 HydrophobicContact CG-CD2 4.14Å; F366-Y376 AromaticContact CG-CG 3.93Å; F366-Y376 HydrophobicContact CG-CG 3.93Å; K367-Y376 HydrophobicContact CG-CE2 4.45Å; Q373-Y376 VanDerWaalsContact CA-CD1 3.42Å; Q373-Y376 HydrophobicContact CB-CD1 4.02Å; Q373-Y376 HydrophobicContact CB-CE1 3.64Å; Q373-Y376 HydrophobicContact CG-CD1 4.3Å; Q373-Y376 HydrophobicContact CG-CE1 3.77Å; Q373-Y376 WeakPolarHBondContact O-CD1 3.22Å; Y376-S378 PolarHBondContact O-N 2.96Å; Y376-Y379 PolarHBondContact O-N 3.31Å; Y376-Y379 VanDerWaalsContact O-N 3.1Å; Y376-W381 PolarHBondContact O-NE1 2.91Å |
| 377 | E | 90.9 | Very high | 91.3 | Very high | 121 Ų | 121 | 63.4 Ų | 63.4 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -66.5 | -21.5 | 177.3 | -58.7 | -165.4 | 152.8 | 0 | 0 | 112.9 | K309 D375 Y379 | K309-E377 WeakPolarHBondContact CD-O 3.22Å; K309-E377 WeakPolarHBondContact CE-O 3.47Å; K309-E377 PolarHBondContact NZ-O 2.92Å; D375-E377 PolarHBondContact O-N 3.33Å; E377-Y379 PolarHBondContact O-N 3.32Å |
| 378 | S | 92 | Very high | 91.6 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -74.4 | -4 | 175 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | Y308 K309 D375 Y376 | Y308-S378 WeakPolarHBondContact CD2-O 3.43Å; K309-S378 WeakPolarHBondContact CB-O 3.46Å; K309-S378 WeakPolarHBondContact CG-O 3.3Å; K309-S378 PolarHBondContact N-O 3.11Å; D375-S378 VanDerWaalsContact O-CB 3.29Å; D375-S378 WeakPolarHBondContact O-CB 3.4Å; D375-S378 PolarHBondContact O-N 3.2Å; D375-S378 PolarHBondContact O-OG 3Å; Y376-S378 PolarHBondContact O-N 2.96Å |
| 379 | Y | 95 | Very high | 91.9 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.2 | 179.4 | -62.5 | -97 | 0 | 0 | 0 | 111.2 | C306 E307 Y308 K309 L323 M327 I353 Y376 E377 W381 | C306-Y379 HydrophobicContact CB-CD1 4.19Å; E307-Y379 CarbonylContact O-C 3.59Å; E307-Y379 WeakPolarHBondContact O-CA 3.46Å; Y308-Y379 HydrophobicContact CD2-CD1 4.12Å; Y308-Y379 HydrophobicContact CD2-CD2 4.29Å; Y308-Y379 AromaticContact CD2-CE1 3.71Å; Y308-Y379 HydrophobicContact CD2-CE1 3.71Å; Y308-Y379 AromaticContact CD2-CE2 3.9Å; Y308-Y379 HydrophobicContact CD2-CE2 3.9Å; Y308-Y379 HydrophobicContact CD2-CG 4.39Å; Y308-Y379 AromaticContact CD2-CZ 3.59Å; Y308-Y379 HydrophobicContact CE2-CE2 4.37Å; Y308-Y379 HydrophobicContact CG-CE1 4.18Å; K309-Y379 VanDerWaalsContact CE-C 3.49Å; K309-Y379 VanDerWaalsContact CE-O 3.25Å; K309-Y379 WeakPolarHBondContact CE-O 3.48Å; K309-Y379 PolarHBondContact NZ-O 3.35Å; L323-Y379 VanDerWaalsContact CD2-OH 3.28Å; L323-Y379 WeakPolarHBondContact CD2-OH 3.4Å; M327-Y379 HydrophobicContact SD-CD2 4.36Å; M327-Y379 HydrophobicContact SD-CE2 3.66Å; I353-Y379 HydrophobicContact CG2-CE1 4.06Å; Y376-Y379 PolarHBondContact O-N 3.31Å; Y376-Y379 VanDerWaalsContact O-N 3.1Å; E377-Y379 PolarHBondContact O-N 3.32Å; Y379-W381 HydrophobicContact CG-CZ2 4.31Å |
| 380 | T | 95.1 | Very high | 92.3 | Very high | 62 Ų | 62 | 70 Ų | 70 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 136.8 | 160.9 | 48.9 | 0 | 0 | 0 | 0 | 108.8 | C306 E307 K309 | C306-T380 VanDerWaalsContact CA-O 3.24Å; C306-T380 WeakPolarHBondContact CA-O 3.2Å; E307-T380 PolarHBondContact N-O 3.4Å; E307-T380 PolarHBondContact O-N 2.99Å; E307-T380 PolarHBondContact O-OG1 3.34Å; K309-T380 HydrophobicContact CD-CG2 4.34Å; K309-T380 HydrophobicContact CG-CG2 3.91Å |
| 381 | W | 96.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 15% | 0.148 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.5 | -175.9 | -63.2 | 90.4 | 0 | 0 | 0 | 110.5 | W304 Y305 C306 W357 W359 L364 F366 Y376 Y379 | W304-W381 HydrophobicContact CB-CE3 4.5Å; W304-W381 HydrophobicContact CE3-CB 4.11Å; W304-W381 HydrophobicContact CZ3-CB 4.26Å; Y305-W381 WeakPolarHBondContact O-CA 3.3Å; C306-W381 HydrophobicContact CB-CD2 4.06Å; C306-W381 HydrophobicContact CB-CE3 3.66Å; C306-W381 HydrophobicContact CB-CH2 3.67Å; C306-W381 HydrophobicContact CB-CZ2 4.09Å; C306-W381 HydrophobicContact CB-CZ3 3.46Å; C306-W381 VanDerWaalsContact CB-CZ3 3.46Å; W357-W381 AromaticContact CD1-CZ3 3.63Å; W357-W381 HydrophobicContact CD2-CH2 4.24Å; W357-W381 HydrophobicContact CD2-CZ3 4.18Å; W357-W381 AromaticContact CE2-CH2 3.93Å; W357-W381 HydrophobicContact CG-CH2 4.38Å; W357-W381 AromaticContact CG-CZ3 3.87Å; W357-W381 HydrophobicContact CG-CZ3 3.87Å; W357-W381 HydrophobicContact CZ2-CH2 4.47Å; W357-W381 AromaticContact NE1-CH2 3.76Å; W357-W381 AromaticContact NE1-CZ3 3.82Å; W359-W381 HydrophobicContact CH2-CE3 4.08Å; W359-W381 HydrophobicContact CH2-CZ3 4Å; W359-W381 HydrophobicContact CZ3-CZ3 4.15Å; L364-W381 HydrophobicContact CD1-CB 3.92Å; L364-W381 HydrophobicContact CD1-CD2 3.82Å; L364-W381 HydrophobicContact CD1-CE3 3.98Å; L364-W381 HydrophobicContact CD1-CG 3.78Å; L364-W381 HydrophobicContact CD2-CB 4.38Å; L364-W381 HydrophobicContact CD2-CG 4.2Å; F366-W381 HydrophobicContact CD2-CH2 4.14Å; F366-W381 AromaticContact CD2-CZ2 3.95Å; F366-W381 HydrophobicContact CD2-CZ2 3.95Å; F366-W381 HydrophobicContact CD2-CZ3 4.47Å; F366-W381 HydrophobicContact CE1-CH2 4.48Å; F366-W381 HydrophobicContact CE2-CD2 4.25Å; F366-W381 AromaticContact CE2-CE2 3.9Å; F366-W381 HydrophobicContact CE2-CE3 4.03Å; F366-W381 AromaticContact CE2-CH2 3.12Å; F366-W381 HydrophobicContact CE2-CH2 3.12Å; F366-W381 AromaticContact CE2-CZ2 3.36Å; F366-W381 HydrophobicContact CE2-CZ2 3.36Å; F366-W381 AromaticContact CE2-CZ3 3.46Å; F366-W381 HydrophobicContact CE2-CZ3 3.46Å; F366-W381 VanDerWaalsContact CE2-CZ3 3.46Å; F366-W381 AromaticContact CZ-CH2 3.34Å; F366-W381 HydrophobicContact CZ-CH2 3.34Å; F366-W381 AromaticContact CZ-CZ2 3.72Å; F366-W381 HydrophobicContact CZ-CZ2 3.72Å; F366-W381 HydrophobicContact CZ-CZ3 4.01Å; Y376-W381 PolarHBondContact O-NE1 2.91Å; Y379-W381 HydrophobicContact CG-CZ2 4.31Å |
| 382 | S | 96.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 119.6 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | W304 Y305 L384 | W304-S382 WeakPolarHBondContact CA-O 3.37Å; Y305-S382 PolarHBondContact N-O 3.29Å; Y305-S382 PolarHBondContact O-N 3.48Å; S382-L384 PolarHBondContact O-N 2.89Å |
| 383 | K | 97.4 | Very high | 93.8 | Very high | 95 Ų | 95 | 67.9 Ų | 67.9 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.6 | 171.3 | -170.5 | 178.2 | 179.4 | 179.1 | 0 | 109.1 | W304 H362 | W304-K383 HydrophobicContact CD2-CB 3.93Å; W304-K383 HydrophobicContact CD2-CG 4.26Å; W304-K383 HydrophobicContact CE3-CB 3.92Å; W304-K383 HydrophobicContact CH2-CB 3.87Å; W304-K383 HydrophobicContact CH2-CD 4.47Å; W304-K383 HydrophobicContact CH2-CG 4.49Å; W304-K383 HydrophobicContact CZ2-CB 3.86Å; W304-K383 HydrophobicContact CZ2-CD 3.9Å; W304-K383 HydrophobicContact CZ2-CG 3.99Å; W304-K383 HydrophobicContact CZ3-CB 3.89Å; H362-K383 VanDerWaalsContact CG-NZ 3.31Å; H362-K383 WeakPolarHBondContact ND1-CE 3.38Å; H362-K383 PolarHBondContact ND1-NZ 2.81Å; H362-K383 PolarHBondContact O-NZ 3.46Å; H362-K383 VanDerWaalsContact O-NZ 3.12Å |
| 384 | L | 97.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 148.3 | -178.9 | -57.7 | -174 | 0 | 0 | 0 | 110.8 | I303 I356 S382 P386 T391 L394 | I303-L384 HydrophobicContact CB-CB 4.36Å; I303-L384 HydrophobicContact CG2-CB 4.36Å; I303-L384 HydrophobicContact CG2-CD1 4.11Å; I303-L384 PolarHBondContact O-N 2.77Å; I356-L384 HydrophobicContact CD1-CD1 3.73Å; S382-L384 PolarHBondContact O-N 2.89Å; L384-P386 WeakPolarHBondContact O-CD 3.06Å; L384-T391 HydrophobicContact CB-CG2 3.71Å; L384-T391 HydrophobicContact CD1-CG2 3.95Å; L384-L394 HydrophobicContact CD1-CD1 4.24Å |
| 385 | D | 95.9 | Very high | 94.7 | Very high | 96 Ų | 96 | 60 Ų | 60 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 116.1 | 170.8 | 175.6 | 9.8 | 0 | 0 | 0 | 109.6 | A387 A388 T391 | D385-A387 PolarHBondContact O-N 3.22Å; D385-A387 WeakPolarHBondContact OD1-CB 3.47Å; D385-A387 PolarHBondContact OD1-N 3.23Å; D385-A388 HydrophobicContact CB-CB 4.16Å; D385-A388 WeakPolarHBondContact O-CB 3.21Å; D385-A388 PolarHBondContact O-N 3.12Å; D385-A388 VanDerWaalsContact O-N 3.14Å; D385-T391 WeakPolarHBondContact O-CB 3.36Å; D385-T391 WeakPolarHBondContact O-CG2 3.37Å; D385-T391 PolarHBondContact O-OG1 2.88Å |
| 386 | P | 94.8 | Very high | 95.1 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.9 | 179.3 | -21.6 | 33.8 | 0 | 0 | 0 | 114.2 | W293 F296 P298 I303 L384 | W293-P386 HydrophobicContact CZ3-CB 4.25Å; F296-P386 HydrophobicContact CD1-CB 4.31Å; F296-P386 HydrophobicContact CE1-CB 3.84Å; F296-P386 HydrophobicContact CE1-CG 3.68Å; F296-P386 HydrophobicContact CZ-CG 4.44Å; P298-P386 HydrophobicContact CB-CB 4.49Å; P298-P386 HydrophobicContact CB-CG 4.15Å; I303-P386 HydrophobicContact CD1-CB 4.21Å; I303-P386 HydrophobicContact CD1-CG 4.31Å; L384-P386 WeakPolarHBondContact O-CD 3.06Å |
| 387 | A | 94.4 | Very high | 95.4 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D385 | D385-A387 PolarHBondContact O-N 3.22Å; D385-A387 WeakPolarHBondContact OD1-CB 3.47Å; D385-A387 PolarHBondContact OD1-N 3.23Å |
| 388 | A | 95.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 57 Ų | 57 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -70.8 | 133.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | D385 K390 T391 K392 | D385-A388 HydrophobicContact CB-CB 4.16Å; D385-A388 WeakPolarHBondContact O-CB 3.21Å; D385-A388 PolarHBondContact O-N 3.12Å; D385-A388 VanDerWaalsContact O-N 3.14Å; A388-K390 PolarHBondContact O-N 3.42Å; A388-T391 WeakPolarHBondContact O-CA 3.37Å; A388-T391 WeakPolarHBondContact O-CB 3.37Å; A388-T391 PolarHBondContact O-N 2.81Å; A388-K392 PolarHBondContact O-N 3.11Å; A388-K392 VanDerWaalsContact O-N 3.12Å |
| 389 | E | 94.6 | Very high | 95.9 | Very high | 167 Ų | 167 | 55.6 Ų | 55.6 | 78% | 0.78 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.6 | -37.1 | 178.2 | -171.9 | 176.1 | -169.2 | 0 | 0 | 112.1 | T391 K392 K393 | E389-T391 VanDerWaalsContact C-N 3.29Å; E389-T391 PolarHBondContact O-N 2.89Å; E389-K392 PolarHBondContact O-N 3.07Å; E389-K393 PolarHBondContact O-N 3.06Å |
| 390 | K | 94.4 | Very high | 95.9 | Very high | 139 Ų | 139 | 56.3 Ų | 56.3 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.8 | -39.6 | 173.7 | -171.8 | 178 | -178.5 | 179 | 0 | 112.1 | A388 L394 | A388-K390 PolarHBondContact O-N 3.42Å; K390-L394 HydrophobicContact CG-CD1 4.32Å; K390-L394 WeakPolarHBondContact O-CG 3.44Å; K390-L394 PolarHBondContact O-N 3.18Å |
| 391 | T | 96 | Very high | 95.9 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | I303 L384 D385 A388 E389 K393 L394 V395 | I303-T391 HydrophobicContact CD1-CG2 4.12Å; I303-T391 HydrophobicContact CG2-CG2 4.38Å; L384-T391 HydrophobicContact CB-CG2 3.71Å; L384-T391 HydrophobicContact CD1-CG2 3.95Å; D385-T391 WeakPolarHBondContact O-CB 3.36Å; D385-T391 WeakPolarHBondContact O-CG2 3.37Å; D385-T391 PolarHBondContact O-OG1 2.88Å; A388-T391 WeakPolarHBondContact O-CA 3.37Å; A388-T391 WeakPolarHBondContact O-CB 3.37Å; A388-T391 PolarHBondContact O-N 2.81Å; E389-T391 VanDerWaalsContact C-N 3.29Å; E389-T391 PolarHBondContact O-N 2.89Å; T391-K393 VanDerWaalsContact C-N 3.33Å; T391-K393 PolarHBondContact O-N 3.22Å; T391-L394 PolarHBondContact O-N 2.93Å; T391-V395 HydrophobicContact CG2-CG2 4.28Å; T391-V395 VanDerWaalsContact O-CG2 3.28Å; T391-V395 WeakPolarHBondContact O-CG2 3.21Å; T391-V395 PolarHBondContact O-N 3.12Å |
| 392 | K | 95.5 | Very high | 95.7 | Very high | 102 Ų | 102 | 61.6 Ų | 61.6 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 176.8 | -66.3 | -176.9 | 179.9 | -178.7 | 0 | 111.6 | W293 A388 E389 V395 E396 | W293-K392 HydrophobicContact CH2-CG 3.91Å; W293-K392 HydrophobicContact CZ2-CB 4.2Å; W293-K392 HydrophobicContact CZ2-CG 3.85Å; W293-K392 HydrophobicContact CZ3-CG 4.43Å; A388-K392 PolarHBondContact O-N 3.11Å; A388-K392 VanDerWaalsContact O-N 3.12Å; E389-K392 PolarHBondContact O-N 3.07Å; K392-V395 PolarHBondContact O-N 3.19Å; K392-E396 WeakPolarHBondContact O-CB 3.18Å; K392-E396 PolarHBondContact O-N 3.2Å |
| 393 | K | 95.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 61.1 Ų | 61.1 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 175.5 | -173.7 | -179.1 | 173.9 | -168.3 | 0 | 111.8 | E389 T391 V395 E396 E397 S404 | E389-K393 PolarHBondContact O-N 3.06Å; T391-K393 VanDerWaalsContact C-N 3.33Å; T391-K393 PolarHBondContact O-N 3.22Å; K393-V395 PolarHBondContact O-N 2.83Å; K393-E396 PolarHBondContact O-N 2.73Å; K393-E397 WeakPolarHBondContact CE-OE1 3.07Å; K393-E397 HydrophobicContact CG-CG 4.32Å; K393-E397 IonicContact NZ-OE1 2.76Å; K393-E397 WeakPolarHBondContact O-CG 3.36Å; K393-E397 PolarHBondContact O-N 3.45Å; K393-S404 WeakPolarHBondContact CE-OG 3.34Å; K393-S404 PolarHBondContact NZ-OG 3.19Å |
| 394 | L | 95.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 178.9 | -75.5 | 171.3 | 0 | 0 | 0 | 112.4 | I356 L384 K390 T391 E396 E397 Y398 | I356-L394 HydrophobicContact CD1-CB 4.08Å; L384-L394 HydrophobicContact CD1-CD1 4.24Å; K390-L394 HydrophobicContact CG-CD1 4.32Å; K390-L394 WeakPolarHBondContact O-CG 3.44Å; K390-L394 PolarHBondContact O-N 3.18Å; T391-L394 PolarHBondContact O-N 2.93Å; L394-E396 VanDerWaalsContact C-N 3.35Å; L394-E397 PolarHBondContact O-N 2.84Å; L394-Y398 HydrophobicContact CD2-CD2 4.42Å; L394-Y398 HydrophobicContact CD2-CE2 3.92Å; L394-Y398 WeakPolarHBondContact O-CB 3.42Å; L394-Y398 WeakPolarHBondContact O-CD2 3.44Å; L394-Y398 PolarHBondContact O-N 3.39Å |
| 395 | V | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | L289 F292 W293 I303 I356 T391 K392 K393 F399 | L289-V395 HydrophobicContact CD2-CG1 4.03Å; F292-V395 HydrophobicContact CD1-CG1 4.06Å; F292-V395 HydrophobicContact CE1-CG1 3.92Å; W293-V395 HydrophobicContact CH2-CG2 4.28Å; W293-V395 HydrophobicContact CZ2-CB 3.82Å; W293-V395 HydrophobicContact CZ2-CG1 3.93Å; W293-V395 HydrophobicContact CZ2-CG2 3.91Å; I303-V395 HydrophobicContact CD1-CG2 4.12Å; I303-V395 HydrophobicContact CG2-CG2 4.04Å; I356-V395 HydrophobicContact CG2-CG2 4.16Å; T391-V395 HydrophobicContact CG2-CG2 4.28Å; T391-V395 VanDerWaalsContact O-CG2 3.28Å; T391-V395 WeakPolarHBondContact O-CG2 3.21Å; T391-V395 PolarHBondContact O-N 3.12Å; K392-V395 PolarHBondContact O-N 3.19Å; K393-V395 PolarHBondContact O-N 2.83Å; V395-F399 HydrophobicContact CG1-CD1 4.42Å; V395-F399 HydrophobicContact CG1-CD2 3.83Å; V395-F399 HydrophobicContact CG1-CE1 4.43Å; V395-F399 HydrophobicContact CG1-CE2 3.82Å; V395-F399 HydrophobicContact CG1-CG 4.15Å; V395-F399 HydrophobicContact CG1-CZ 4.15Å; V395-F399 WeakPolarHBondContact O-CB 3.38Å; V395-F399 WeakPolarHBondContact O-CD1 3.22Å; V395-F399 VanDerWaalsContact O-CG 3.28Å; V395-F399 WeakPolarHBondContact O-CG 3.37Å; V395-F399 PolarHBondContact O-N 3.15Å |
| 396 | E | 96.3 | Very high | 94.2 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.5 | -53.9 | 176.9 | 175.8 | 172.2 | 175.3 | 0 | 0 | 111.8 | L289 K392 K393 L394 Y398 F399 A400 | L289-E396 HydrophobicContact CD1-CB 4.07Å; L289-E396 HydrophobicContact CD1-CG 3.8Å; K392-E396 WeakPolarHBondContact O-CB 3.18Å; K392-E396 PolarHBondContact O-N 3.2Å; K393-E396 PolarHBondContact O-N 2.73Å; L394-E396 VanDerWaalsContact C-N 3.35Å; E396-Y398 PolarHBondContact O-N 2.81Å; E396-F399 PolarHBondContact O-N 3.23Å; E396-A400 VanDerWaalsContact O-CB 3.27Å; E396-A400 WeakPolarHBondContact O-CB 3.4Å; E396-A400 PolarHBondContact O-N 3.42Å |
| 397 | E | 96.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | -177.4 | -66.2 | -174.2 | 155.2 | 0 | 0 | 112 | K393 L394 W401 E402 S404 F405 | K393-E397 WeakPolarHBondContact CE-OE1 3.07Å; K393-E397 HydrophobicContact CG-CG 4.32Å; K393-E397 IonicContact NZ-OE1 2.76Å; K393-E397 WeakPolarHBondContact O-CG 3.36Å; K393-E397 PolarHBondContact O-N 3.45Å; L394-E397 PolarHBondContact O-N 2.84Å; E397-W401 VanDerWaalsContact O-CA 3.27Å; E397-W401 WeakPolarHBondContact O-CA 3.43Å; E397-W401 PolarHBondContact O-N 3.19Å; E397-E402 VanDerWaalsContact CA-O 3.27Å; E397-E402 WeakPolarHBondContact CA-O 3.26Å; E397-E402 PolarHBondContact O-N 3.29Å; E397-S404 PolarHBondContact OE1-N 2.79Å; E397-S404 PolarHBondContact OE1-OG 3.4Å; E397-F405 HydrophobicContact CB-CD1 4.05Å; E397-F405 HydrophobicContact CB-CE1 3.76Å; E397-F405 HydrophobicContact CB-CZ 4.29Å; E397-F405 VanDerWaalsContact O-CE1 3.31Å; E397-F405 WeakPolarHBondContact O-CE1 3.5Å; E397-F405 WeakPolarHBondContact O-CZ 3.11Å; E397-F405 PolarHBondContact OE1-N 3.41Å; E397-F405 WeakPolarHBondContact OE2-CA 3.49Å; E397-F405 PolarHBondContact OE2-N 3.26Å |
| 398 | Y | 97.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75 | -31.3 | -179.1 | -81.1 | -103.9 | 0 | 0 | 0 | 112.7 | Y305 S341 C343 F345 S354 I356 L394 E396 W401 F405 | Y305-Y398 HydrophobicContact CE2-CE2 4.35Å; Y305-Y398 AromaticContact CE2-CZ 3.92Å; S341-Y398 VanDerWaalsContact CB-O 3.25Å; S341-Y398 WeakPolarHBondContact CB-O 3.35Å; S341-Y398 PolarHBondContact OG-O 2.85Å; C343-Y398 HydrophobicContact CB-CD1 4.36Å; C343-Y398 HydrophobicContact CB-CE1 4.17Å; F345-Y398 HydrophobicContact CE2-CE1 4.16Å; F345-Y398 AromaticContact CZ-CE1 3.91Å; F345-Y398 HydrophobicContact CZ-CE1 3.91Å; F345-Y398 AromaticContact CZ-CZ 3.84Å; S354-Y398 WeakPolarHBondContact O-CE1 3.33Å; S354-Y398 PolarHBondContact OG-OH 3.03Å; I356-Y398 HydrophobicContact CB-CG 4.4Å; I356-Y398 HydrophobicContact CG1-CD1 4.2Å; I356-Y398 HydrophobicContact CG1-CD2 3.94Å; I356-Y398 HydrophobicContact CG1-CG 3.67Å; L394-Y398 HydrophobicContact CD2-CD2 4.42Å; L394-Y398 HydrophobicContact CD2-CE2 3.92Å; L394-Y398 WeakPolarHBondContact O-CB 3.42Å; L394-Y398 WeakPolarHBondContact O-CD2 3.44Å; L394-Y398 PolarHBondContact O-N 3.39Å; E396-Y398 PolarHBondContact O-N 2.81Å; Y398-W401 PolarHBondContact O-NE1 2.91Å; Y398-F405 HydrophobicContact CD2-CD1 4.2Å; Y398-F405 HydrophobicContact CD2-CE1 4.25Å; Y398-F405 AromaticContact CE2-CD1 3.94Å; Y398-F405 HydrophobicContact CE2-CD1 3.94Å; Y398-F405 HydrophobicContact CE2-CE1 4.42Å |
| 399 | F | 96.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -77.3 | -39.7 | 179 | -78.4 | 16.8 | 0 | 0 | 0 | 110.5 | F275 Y279 T284 L289 F292 F339 I356 I358 V395 E396 | F275-F399 HydrophobicContact CE1-CE2 4.15Å; F275-F399 HydrophobicContact CZ-CD2 4.04Å; F275-F399 AromaticContact CZ-CE2 3.56Å; F275-F399 HydrophobicContact CZ-CE2 3.56Å; F275-F399 HydrophobicContact CZ-CZ 4.41Å; Y279-F399 HydrophobicContact CE2-CB 3.97Å; Y279-F399 HydrophobicContact CE2-CD2 4.44Å; Y279-F399 HydrophobicContact CE2-CG 4.29Å; Y279-F399 PolarHBondContact OH-O 3.33Å; T284-F399 HydrophobicContact CG2-CB 4.33Å; T284-F399 WeakPolarHBondContact CG2-O 3.38Å; L289-F399 HydrophobicContact CD2-CB 3.99Å; L289-F399 HydrophobicContact CD2-CD2 3.89Å; L289-F399 HydrophobicContact CD2-CG 4.31Å; L289-F399 HydrophobicContact CG-CB 4.44Å; F292-F399 HydrophobicContact CD1-CE2 4.48Å; F292-F399 HydrophobicContact CG-CE2 4.37Å; F339-F399 HydrophobicContact CD1-CE1 4.04Å; F339-F399 HydrophobicContact CD1-CE2 4.31Å; F339-F399 AromaticContact CD1-CZ 3.64Å; F339-F399 HydrophobicContact CD1-CZ 3.64Å; F339-F399 HydrophobicContact CE1-CD1 4.15Å; F339-F399 HydrophobicContact CE1-CD2 4.41Å; F339-F399 AromaticContact CE1-CE1 3.61Å; F339-F399 HydrophobicContact CE1-CE1 3.61Å; F339-F399 AromaticContact CE1-CE2 3.91Å; F339-F399 HydrophobicContact CE1-CE2 3.91Å; F339-F399 AromaticContact CE1-CZ 3.45Å; F339-F399 HydrophobicContact CE1-CZ 3.45Å; F339-F399 VanDerWaalsContact CE1-CZ 3.45Å; I356-F399 HydrophobicContact CB-CE1 4.28Å; I356-F399 HydrophobicContact CG2-CE1 3.83Å; I356-F399 HydrophobicContact CG2-CZ 4.41Å; I358-F399 HydrophobicContact CD1-CE2 4.04Å; I358-F399 HydrophobicContact CD1-CZ 3.49Å; I358-F399 VanDerWaalsContact CD1-CZ 3.49Å; I358-F399 HydrophobicContact CG1-CZ 4.23Å; V395-F399 HydrophobicContact CG1-CD1 4.42Å; V395-F399 HydrophobicContact CG1-CD2 3.83Å; V395-F399 HydrophobicContact CG1-CE1 4.43Å; V395-F399 HydrophobicContact CG1-CE2 3.82Å; V395-F399 HydrophobicContact CG1-CG 4.15Å; V395-F399 HydrophobicContact CG1-CZ 4.15Å; V395-F399 WeakPolarHBondContact O-CB 3.38Å; V395-F399 WeakPolarHBondContact O-CD1 3.22Å; V395-F399 VanDerWaalsContact O-CG 3.28Å; V395-F399 WeakPolarHBondContact O-CG 3.37Å; V395-F399 PolarHBondContact O-N 3.15Å; E396-F399 PolarHBondContact O-N 3.23Å |
| 400 | A | 95.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.9 | -20.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | T284 I285 E396 E402 | T284-A400 HydrophobicContact CG2-CB 4.37Å; I285-A400 HydrophobicContact CD1-CB 4.32Å; I285-A400 HydrophobicContact CG1-CB 3.96Å; E396-A400 VanDerWaalsContact O-CB 3.27Å; E396-A400 WeakPolarHBondContact O-CB 3.4Å; E396-A400 PolarHBondContact O-N 3.42Å; A400-E402 HydrophobicContact CB-CB 4.21Å; A400-E402 PolarHBondContact O-N 3.43Å |
| 401 | W | 95.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 25.2 | -166.4 | -61.7 | -19.3 | 0 | 0 | 0 | 113.5 | S341 C343 E397 Y398 F410 G413 I415 | S341-W401 PolarHBondContact OG-NE1 2.97Å; C343-W401 VanDerWaalsContact SG-CD1 3.51Å; E397-W401 VanDerWaalsContact O-CA 3.27Å; E397-W401 WeakPolarHBondContact O-CA 3.43Å; E397-W401 PolarHBondContact O-N 3.19Å; Y398-W401 PolarHBondContact O-NE1 2.91Å; W401-F410 HydrophobicContact CB-CD2 4.46Å; W401-F410 HydrophobicContact CB-CE1 4.16Å; W401-F410 HydrophobicContact CB-CE2 3.71Å; W401-F410 HydrophobicContact CB-CZ 3.53Å; W401-F410 HydrophobicContact CD2-CE2 4.39Å; W401-F410 HydrophobicContact CD2-CZ 4.02Å; W401-F410 HydrophobicContact CE3-CZ 4.22Å; W401-F410 AromaticContact CG-CE2 3.8Å; W401-F410 HydrophobicContact CG-CE2 3.8Å; W401-F410 AromaticContact CG-CZ 3.73Å; W401-F410 HydrophobicContact CG-CZ 3.73Å; W401-G413 VanDerWaalsContact CE2-CA 3.44Å; W401-G413 VanDerWaalsContact CH2-C 3.46Å; W401-G413 VanDerWaalsContact CH2-O 3.26Å; W401-G413 WeakPolarHBondContact CH2-O 3.48Å; W401-G413 VanDerWaalsContact CZ2-CA 3.43Å; W401-G413 WeakPolarHBondContact CZ2-O 3.37Å; W401-I415 HydrophobicContact CH2-CG1 4.19Å; W401-I415 HydrophobicContact CZ2-CD1 3.56Å; W401-I415 HydrophobicContact CZ2-CG1 3.62Å |
| 402 | E | 92.2 | Very high | 93.1 | Very high | 128 Ų | 128 | 58.5 Ų | 58.5 | 60% | 0.598 | 32% | 0.32 | S | S | * | . | trans | -132.2 | 129.5 | -178.3 | -66.7 | -179.1 | -175.1 | 0 | 0 | 109.1 | E397 A400 | E397-E402 VanDerWaalsContact CA-O 3.27Å; E397-E402 WeakPolarHBondContact CA-O 3.26Å; E397-E402 PolarHBondContact O-N 3.29Å; A400-E402 HydrophobicContact CB-CB 4.21Å; A400-E402 PolarHBondContact O-N 3.43Å | ||
| 403 | G | 89.8 | Confident | 93 | Very high | 52 Ų | 52 | 53.8 Ų | 53.8 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 155.4 | -171.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | F405 | G403-F405 WeakPolarHBondContact O-CD2 3.44Š|
| 404 | S | 88 | Confident | 93 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | trans | -85.7 | -26.5 | 179.7 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | K393 E397 D406 G407 | K393-S404 WeakPolarHBondContact CE-OG 3.34Å; K393-S404 PolarHBondContact NZ-OG 3.19Å; E397-S404 PolarHBondContact OE1-N 2.79Å; E397-S404 PolarHBondContact OE1-OG 3.4Å; S404-D406 PolarHBondContact O-N 3.25Å; S404-D406 VanDerWaalsContact O-N 3.1Å; S404-G407 WeakPolarHBondContact O-CA 3.48Å; S404-G407 PolarHBondContact O-N 3.25Å | ||
| 405 | F | 90.4 | Very high | 93 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | 48.1 | 38.2 | 177.9 | -55 | -76.8 | 0 | 0 | 0 | 114.1 | F345 E397 Y398 G403 G407 K408 F410 | F345-F405 HydrophobicContact CD1-CB 4.27Å; F345-F405 HydrophobicContact CD1-CG 4.37Å; F345-F405 HydrophobicContact CE1-CB 3.6Å; F345-F405 AromaticContact CE1-CD1 3.54Å; F345-F405 HydrophobicContact CE1-CD1 3.54Å; F345-F405 AromaticContact CE1-CD2 3.94Å; F345-F405 HydrophobicContact CE1-CD2 3.94Å; F345-F405 HydrophobicContact CE1-CE1 4.12Å; F345-F405 HydrophobicContact CE1-CE2 4.49Å; F345-F405 AromaticContact CE1-CG 3.43Å; F345-F405 HydrophobicContact CE1-CG 3.43Å; F345-F405 VanDerWaalsContact CE1-CG 3.43Å; F345-F405 HydrophobicContact CZ-CB 4.22Å; F345-F405 AromaticContact CZ-CD1 3.75Å; F345-F405 HydrophobicContact CZ-CD1 3.75Å; F345-F405 HydrophobicContact CZ-CE1 4.29Å; F345-F405 HydrophobicContact CZ-CG 4.08Å; E397-F405 HydrophobicContact CB-CD1 4.05Å; E397-F405 HydrophobicContact CB-CE1 3.76Å; E397-F405 HydrophobicContact CB-CZ 4.29Å; E397-F405 VanDerWaalsContact O-CE1 3.31Å; E397-F405 WeakPolarHBondContact O-CE1 3.5Å; E397-F405 WeakPolarHBondContact O-CZ 3.11Å; E397-F405 PolarHBondContact OE1-N 3.41Å; E397-F405 WeakPolarHBondContact OE2-CA 3.49Å; E397-F405 PolarHBondContact OE2-N 3.26Å; Y398-F405 HydrophobicContact CD2-CD1 4.2Å; Y398-F405 HydrophobicContact CD2-CE1 4.25Å; Y398-F405 AromaticContact CE2-CD1 3.94Å; Y398-F405 HydrophobicContact CE2-CD1 3.94Å; Y398-F405 HydrophobicContact CE2-CE1 4.42Å; G403-F405 WeakPolarHBondContact O-CD2 3.44Å; F405-G407 PolarHBondContact O-N 3Å; F405-K408 HydrophobicContact CB-CB 4.08Å; F405-K408 WeakPolarHBondContact O-CB 3.44Å; F405-K408 WeakPolarHBondContact O-CG 3.4Å; F405-K408 PolarHBondContact O-N 3.5Å; F405-K408 VanDerWaalsContact O-N 3.08Å; F405-F410 HydrophobicContact CD2-CB 4.07Å; F405-F410 HydrophobicContact CE2-CB 3.68Å; F405-F410 HydrophobicContact CE2-CD2 4.3Å; F405-F410 HydrophobicContact CE2-CG 4.23Å; F405-F410 HydrophobicContact CZ-CB 4.36Å; F405-F410 HydrophobicContact CZ-CD2 4.13Å; F405-F410 HydrophobicContact CZ-CG 4.47Å |
| 406 | D | 87.3 | Confident | 92.9 | Very high | 110 Ų | 110 | 53.8 Ų | 53.8 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | 51 | 36.8 | -173.6 | -67.5 | -22.1 | 0 | 0 | 0 | 113.4 | S404 | S404-D406 PolarHBondContact O-N 3.25Å; S404-D406 VanDerWaalsContact O-N 3.1Å |
| 407 | G | 87.2 | Confident | 92.7 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | 90.2 | -0.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | S404 F405 | S404-G407 WeakPolarHBondContact O-CA 3.48Å; S404-G407 PolarHBondContact O-N 3.25Å; F405-G407 PolarHBondContact O-N 3Å |
| 408 | K | 90.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 22% | 0.222 | 32% | 0.315 | C | S | . | . | trans | -77.2 | 131.8 | 176.8 | -62.8 | 177.7 | 179.8 | 178.8 | 0 | 110.6 | E307 F345 F405 F410 | E307-K408 IonicContact OE1-NZ 3.9Å; E307-K408 PolarHBondContact OE1-NZ 2.96Å; F345-K408 HydrophobicContact CB-CB 3.91Å; F345-K408 HydrophobicContact CB-CD 4.48Å; F345-K408 HydrophobicContact CD1-CB 3.52Å; F345-K408 HydrophobicContact CD1-CD 4.46Å; F345-K408 HydrophobicContact CD2-CB 4.48Å; F345-K408 HydrophobicContact CD2-CD 4Å; F345-K408 HydrophobicContact CE1-CB 4.18Å; F345-K408 HydrophobicContact CE2-CD 4.39Å; F345-K408 HydrophobicContact CG-CB 3.7Å; F345-K408 HydrophobicContact CG-CD 4.04Å; F345-K408 HydrophobicContact CG-CG 4.45Å; F405-K408 HydrophobicContact CB-CB 4.08Å; F405-K408 WeakPolarHBondContact O-CB 3.44Å; F405-K408 WeakPolarHBondContact O-CG 3.4Å; F405-K408 PolarHBondContact O-N 3.5Å; F405-K408 VanDerWaalsContact O-N 3.08Å; K408-F410 PolarHBondContact O-N 3.4Å | ||
| 409 | T | 91.4 | Very high | 92.2 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 64% | 0.644 | 33% | 0.331 | S | S | * | . | trans | -76 | 113.7 | 174.8 | -50.2 | 0 | 0 | 0 | 0 | 110.1 | F345 G346 | F345-T409 CarbonylContact C-O 3.5Å; F345-T409 WeakPolarHBondContact CA-O 3.48Å; F345-T409 WeakPolarHBondContact CB-O 3.37Å; G346-T409 PolarHBondContact N-O 2.94Å | ||
| 410 | F | 94 | Very high | 92 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 29% | 0.285 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 138.9 | 175.6 | 176.9 | -98.2 | 0 | 0 | 0 | 111.4 | C343 F345 W401 F405 K408 Q412 | C343-F410 HydrophobicContact CB-CD2 4.23Å; C343-F410 HydrophobicContact CB-CE2 4.11Å; F345-F410 HydrophobicContact CD1-CB 4.46Å; F345-F410 HydrophobicContact CE1-CB 4.45Å; F345-F410 HydrophobicContact CE1-CD2 4.34Å; W401-F410 HydrophobicContact CB-CD2 4.46Å; W401-F410 HydrophobicContact CB-CE1 4.16Å; W401-F410 HydrophobicContact CB-CE2 3.71Å; W401-F410 HydrophobicContact CB-CZ 3.53Å; W401-F410 HydrophobicContact CD2-CE2 4.39Å; W401-F410 HydrophobicContact CD2-CZ 4.02Å; W401-F410 HydrophobicContact CE3-CZ 4.22Å; W401-F410 AromaticContact CG-CE2 3.8Å; W401-F410 HydrophobicContact CG-CE2 3.8Å; W401-F410 AromaticContact CG-CZ 3.73Å; W401-F410 HydrophobicContact CG-CZ 3.73Å; F405-F410 HydrophobicContact CD2-CB 4.07Å; F405-F410 HydrophobicContact CE2-CB 3.68Å; F405-F410 HydrophobicContact CE2-CD2 4.3Å; F405-F410 HydrophobicContact CE2-CG 4.23Å; F405-F410 HydrophobicContact CZ-CB 4.36Å; F405-F410 HydrophobicContact CZ-CD2 4.13Å; F405-F410 HydrophobicContact CZ-CG 4.47Å; K408-F410 PolarHBondContact O-N 3.4Å; F410-Q412 VanDerWaalsContact CZ-C 3.45Å |
| 411 | N | 92.1 | Very high | 91.8 | Very high | 69 Ų | 69 | 65.1 Ų | 65.1 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -59.9 | 174.3 | -169.9 | -62.5 | 0 | 0 | 0 | 111.1 | V317 V344 G346 | V317-N411 WeakPolarHBondContact CG1-OD1 3.32Å; V344-N411 WeakPolarHBondContact O-CB 3.35Å; V344-N411 PolarHBondContact O-N 3.11Å; G346-N411 PolarHBondContact O-ND2 3.31Å |
| 412 | Q | 91.9 | Very high | 91.6 | Very high | 84 Ų | 84 | 64 Ų | 64 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 149 | -179 | -171.4 | 166.5 | 44 | 0 | 0 | 111 | C321 C343 V344 F410 | C321-Q412 PolarHBondContact SG-OE1 3.29Å; C343-Q412 CarbonylContact C-O 3.32Å; C343-Q412 WeakPolarHBondContact CA-O 3.5Å; V344-Q412 PolarHBondContact N-O 3.44Å; V344-Q412 PolarHBondContact O-N 3.44Å; F410-Q412 VanDerWaalsContact CZ-C 3.45Å |
| 413 | G | 93.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 160.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V342 W401 | V342-G413 CarbonylContact O-C 3.57Å; V342-G413 WeakPolarHBondContact O-CA 3.5Å; W401-G413 VanDerWaalsContact CE2-CA 3.44Å; W401-G413 VanDerWaalsContact CH2-C 3.46Å; W401-G413 VanDerWaalsContact CH2-O 3.26Å; W401-G413 WeakPolarHBondContact CH2-O 3.48Å; W401-G413 VanDerWaalsContact CZ2-CA 3.43Å; W401-G413 WeakPolarHBondContact CZ2-O 3.37Å |
| 414 | K | 95 | Very high | 91.7 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 134.1 | 175.2 | -65.7 | -67.6 | -176.4 | 178.2 | 0 | 109.2 | I324 F328 V342 | I324-K414 HydrophobicContact CB-CG 4.49Å; I324-K414 HydrophobicContact CG2-CB 3.82Å; I324-K414 HydrophobicContact CG2-CG 4.06Å; F328-K414 HydrophobicContact CE2-CB 3.68Å; F328-K414 HydrophobicContact CZ-CB 4.23Å; V342-K414 PolarHBondContact N-O 2.84Å; V342-K414 PolarHBondContact O-N 3.05Å |
| 415 | I | 96 | Very high | 92 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 21% | 0.205 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.7 | 178.6 | -56 | -58.3 | 0 | 0 | 0 | 110.2 | Y279 F328 F339 A340 W401 K417 | Y279-I415 HydrophobicContact CE1-CD1 3.91Å; Y279-I415 HydrophobicContact CE1-CG1 3.91Å; Y279-I415 HydrophobicContact CE1-CG2 4.16Å; Y279-I415 VanDerWaalsContact OH-CD1 3.26Å; Y279-I415 WeakPolarHBondContact OH-CD1 3.47Å; F328-I415 WeakPolarHBondContact CE2-O 3.47Å; F339-I415 HydrophobicContact CD2-CG2 4.34Å; F339-I415 HydrophobicContact CE2-CG2 3.51Å; F339-I415 HydrophobicContact CZ-CG2 3.76Å; A340-I415 CarbonylContact O-C 3.6Å; A340-I415 VanDerWaalsContact O-CA 3.32Å; A340-I415 WeakPolarHBondContact O-CA 3.43Å; W401-I415 HydrophobicContact CH2-CG1 4.19Å; W401-I415 HydrophobicContact CZ2-CD1 3.56Å; W401-I415 HydrophobicContact CZ2-CG1 3.62Å; I415-K417 HydrophobicContact CG2-CB 4.18Å; I415-K417 HydrophobicContact CG2-CD 3.88Å; I415-K417 HydrophobicContact CG2-CG 4.01Å |
| 416 | F | 95.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.8 | 167.6 | -178.8 | -104.4 | 0 | 0 | 0 | 108.3 | F328 L331 M334 R335 A338 F339 A340 W357 | F328-F416 HydrophobicContact CB-CD2 3.86Å; F328-F416 HydrophobicContact CB-CE2 4.46Å; F328-F416 HydrophobicContact CD1-CB 4.06Å; F328-F416 AromaticContact CD1-CD2 3.94Å; F328-F416 HydrophobicContact CD1-CD2 3.94Å; F328-F416 HydrophobicContact CD1-CG 4.32Å; F328-F416 HydrophobicContact CD2-CB 3.95Å; F328-F416 HydrophobicContact CD2-CD2 4.22Å; F328-F416 HydrophobicContact CE1-CB 3.85Å; F328-F416 HydrophobicContact CE2-CB 3.74Å; F328-F416 HydrophobicContact CG-CB 4.11Å; F328-F416 AromaticContact CG-CD2 3.75Å; F328-F416 HydrophobicContact CG-CD2 3.75Å; F328-F416 HydrophobicContact CG-CG 4.38Å; F328-F416 HydrophobicContact CZ-CB 3.69Å; L331-F416 HydrophobicContact CB-CE2 3.79Å; L331-F416 HydrophobicContact CB-CZ 3.88Å; L331-F416 WeakPolarHBondContact O-CZ 3.45Å; M334-F416 HydrophobicContact CB-CE1 4.5Å; M334-F416 HydrophobicContact CB-CZ 4.23Å; R335-F416 HydrophobicContact CB-CE1 4.38Å; R335-F416 HydrophobicContact CB-CE2 4.46Å; R335-F416 HydrophobicContact CB-CZ 3.9Å; A338-F416 HydrophobicContact CB-CD1 4.5Å; A338-F416 HydrophobicContact CB-CE1 4.02Å; F339-F416 CarbonylContact C-O 3.56Å; F339-F416 VanDerWaalsContact CA-O 3.31Å; F339-F416 WeakPolarHBondContact CA-O 3.33Å; F339-F416 WeakPolarHBondContact CD2-O 3.45Å; A340-F416 HydrophobicContact CB-CB 3.81Å; A340-F416 PolarHBondContact N-O 3.5Å; A340-F416 PolarHBondContact O-N 3.32Å; W357-F416 HydrophobicContact CH2-CB 4.45Å; W357-F416 HydrophobicContact CH2-CD1 4.43Å; W357-F416 HydrophobicContact CH2-CG 4.31Å; W357-F416 AromaticContact CZ3-CD1 3.84Å; W357-F416 HydrophobicContact CZ3-CD1 3.84Å; W357-F416 HydrophobicContact CZ3-CE1 4.26Å; W357-F416 HydrophobicContact CZ3-CG 4.17Å |
| 417 | K | 90.6 | Very high | 92.5 | Very high | 113 Ų | 113 | 61 Ų | 61 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | trans | -152.1 | 0 | -179.8 | 60.5 | -177.9 | 176 | -173.6 | 0 | 112 | K276 S280 F339 I415 | K276-K417 HydrophobicContact CD-CB 3.91Å; K276-K417 WeakPolarHBondContact CD-OXT 3.28Å; K276-K417 WeakPolarHBondContact CE-OXT 3.37Å; K276-K417 HydrophobicContact CG-CB 3.95Å; K276-K417 PolarHBondContact NZ-OXT 3.3Å; S280-K417 PolarHBondContact OG-NZ 2.85Å; F339-K417 HydrophobicContact CD2-CB 3.95Å; F339-K417 HydrophobicContact CE2-CB 4.18Å; I415-K417 HydrophobicContact CG2-CB 4.18Å; I415-K417 HydrophobicContact CG2-CD 3.88Å; I415-K417 HydrophobicContact CG2-CG 4.01Å |
Retrieved 417 of 417 residues in 590.8 ms
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