| 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 | 84.4 | Confident | 94.5 | Very high | 108 Ų | 108 | 30.9 Ų | 30.9 | 53% | 0.532 | 15% | 0.148 | S | C | . | . | 0 | 134.8 | 0 | 163.1 | 179.1 | 145.2 | 0 | 0 | 106.8 | K3 T40 L391 | M1-K3 HydrophobicContact CE-CB 4.25Å; M1-K3 HydrophobicContact CE-CD 4.33Å; M1-T40 HydrophobicContact CE-CG2 3.62Å; M1-T40 HydrophobicContact CG-CG2 4.44Å; M1-T40 HydrophobicContact SD-CG2 4.2Å; M1-L391 PolarHBondContact N-O 3.07Å; M1-L391 PolarHBondContact O-N 2.89Å | |||
| 2 | K | 90.7 | Very high | 94.5 | Very high | 98 Ų | 98 | 28.3 Ų | 28.3 | 43% | 0.426 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.1 | 176.9 | -62.1 | -177.5 | -178.8 | -179.2 | 0 | 109.4 | I41 F390 | K2-I41 HydrophobicContact CB-CB 4.23Å; K2-I41 PolarHBondContact N-O 2.9Å; K2-I41 PolarHBondContact O-N 2.86Å; K2-F390 HydrophobicContact CB-CD1 3.86Å; K2-F390 HydrophobicContact CB-CE1 4.1Å; K2-F390 HydrophobicContact CD-CD1 4.41Å; K2-F390 HydrophobicContact CD-CE1 4.42Å; K2-F390 HydrophobicContact CG-CD1 3.89Å; K2-F390 HydrophobicContact CG-CE1 4.3Å |
| 3 | K | 93.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 26.8 Ų | 26.8 | 35% | 0.352 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133 | 171.7 | -172.6 | 173.4 | -178 | 173.2 | 0 | 109.5 | M1 V39 H389 | M1-K3 HydrophobicContact CE-CB 4.25Å; M1-K3 HydrophobicContact CE-CD 4.33Å; K3-V39 VanDerWaalsContact CA-O 3.29Å; K3-V39 WeakPolarHBondContact CA-O 3.47Å; K3-H389 PolarHBondContact N-O 2.86Å; K3-H389 CarbonylContact O-C 3.44Å; K3-H389 PolarHBondContact O-N 3.49Å; K3-H389 VanDerWaalsContact O-O 3.07Å |
| 4 | F | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.6 | 171.8 | 69.5 | -91.5 | 0 | 0 | 0 | 110.9 | V6 V39 I41 T165 L168 L169 L175 Y386 S387 A388 | F4-V6 HydrophobicContact CD2-CG2 4.01Å; F4-V6 HydrophobicContact CE2-CG2 3.92Å; F4-V39 HydrophobicContact CD1-CB 3.89Å; F4-V39 HydrophobicContact CD1-CG1 4.16Å; F4-V39 HydrophobicContact CD2-CB 4.19Å; F4-V39 HydrophobicContact CD2-CG2 4.33Å; F4-V39 HydrophobicContact CE1-CB 3.49Å; F4-V39 VanDerWaalsContact CE1-CB 3.49Å; F4-V39 HydrophobicContact CE1-CG1 3.43Å; F4-V39 VanDerWaalsContact CE1-CG1 3.43Å; F4-V39 HydrophobicContact CE1-CG2 4.12Å; F4-V39 HydrophobicContact CE2-CB 3.8Å; F4-V39 HydrophobicContact CE2-CG1 4.46Å; F4-V39 HydrophobicContact CE2-CG2 3.63Å; F4-V39 HydrophobicContact CG-CB 4.25Å; F4-V39 HydrophobicContact CZ-CB 3.45Å; F4-V39 VanDerWaalsContact CZ-CB 3.45Å; F4-V39 HydrophobicContact CZ-CG1 3.62Å; F4-V39 HydrophobicContact CZ-CG2 3.52Å; F4-V39 PolarHBondContact N-O 3.01Å; F4-V39 PolarHBondContact O-N 3.28Å; F4-I41 HydrophobicContact CE1-CD1 4.21Å; F4-T165 HydrophobicContact CE2-CG2 4.27Å; F4-T165 HydrophobicContact CZ-CG2 4.41Å; F4-L168 HydrophobicContact CD2-CD1 4.25Å; F4-L168 HydrophobicContact CE2-CB 4.44Å; F4-L168 HydrophobicContact CE2-CD1 3.85Å; F4-L168 HydrophobicContact CZ-CB 4.28Å; F4-L168 HydrophobicContact CZ-CD1 4.48Å; F4-L169 HydrophobicContact CE1-CD2 4.39Å; F4-L169 HydrophobicContact CZ-CD2 4.27Å; F4-L169 HydrophobicContact CZ-CG 4.33Å; F4-L175 HydrophobicContact CD1-CD2 3.47Å; F4-L175 VanDerWaalsContact CD1-CD2 3.47Å; F4-L175 HydrophobicContact CE1-CD1 4.41Å; F4-L175 HydrophobicContact CE1-CD2 3.7Å; F4-L175 HydrophobicContact CG-CD2 4.09Å; F4-L175 HydrophobicContact CZ-CD2 4.49Å; F4-Y386 HydrophobicContact CB-CD2 4.37Å; F4-Y386 HydrophobicContact CB-CE2 3.61Å; F4-Y386 AromaticContact CD2-CD2 3.93Å; F4-Y386 HydrophobicContact CD2-CD2 3.93Å; F4-Y386 AromaticContact CD2-CE2 3.6Å; F4-Y386 HydrophobicContact CD2-CE2 3.6Å; F4-Y386 HydrophobicContact CE2-CE2 4.4Å; F4-Y386 HydrophobicContact CG-CD2 4.46Å; F4-Y386 AromaticContact CG-CE2 3.73Å; F4-Y386 HydrophobicContact CG-CE2 3.73Å; F4-S387 CarbonylContact C-O 3.51Å; F4-S387 VanDerWaalsContact CA-O 3.25Å; F4-S387 WeakPolarHBondContact CA-O 3.48Å; F4-S387 WeakPolarHBondContact CB-O 3.33Å; F4-A388 HydrophobicContact CB-CB 3.85Å |
| 5 | V | 95.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 20% | 0.2 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.3 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | Y36 F37 T38 Y386 S387 | V5-Y36 HydrophobicContact CG1-CD1 4.12Å; V5-F37 WeakPolarHBondContact CA-O 3.26Å; V5-T38 HydrophobicContact CG2-CG2 4.25Å; V5-Y386 WeakPolarHBondContact O-CA 3.41Å; V5-S387 PolarHBondContact N-O 3.39Å; V5-S387 PolarHBondContact O-N 3.27Å |
| 6 | V | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.8 | 165.1 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | F4 Y36 F37 A161 A164 T165 L168 V384 K385 Y386 | F4-V6 HydrophobicContact CD2-CG2 4.01Å; F4-V6 HydrophobicContact CE2-CG2 3.92Å; V6-Y36 WeakPolarHBondContact O-CA 3.32Å; V6-F37 HydrophobicContact CB-CB 4.34Å; V6-F37 PolarHBondContact N-O 3.06Å; V6-F37 PolarHBondContact O-N 2.86Å; V6-A161 HydrophobicContact CG1-CB 4.19Å; V6-A164 HydrophobicContact CG1-CB 3.8Å; V6-T165 WeakPolarHBondContact CB-OG1 3.24Å; V6-L168 HydrophobicContact CG2-CD1 3.67Å; V6-V384 HydrophobicContact CG1-CG2 3.99Å; V6-K385 CarbonylContact C-O 3.54Å; V6-K385 VanDerWaalsContact CA-O 3.31Å; V6-K385 WeakPolarHBondContact CA-O 3.43Å; V6-Y386 HydrophobicContact CG2-CD2 4.02Å |
| 7 | S | 97.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 8% | 0.077 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.6 | 171.6 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | R34 C35 V384 K385 | S7-R34 VanDerWaalsContact C-NH2 3.34Å; S7-R34 PolarHBondContact O-NH2 3.38Å; S7-R34 PolarHBondContact OG-NE 2.79Å; S7-R34 PolarHBondContact OG-NH2 2.93Å; S7-C35 CarbonylContact C-O 3.6Å; S7-C35 WeakPolarHBondContact CA-O 3.43Å; S7-C35 WeakPolarHBondContact CB-O 3.22Å; S7-V384 CarbonylContact O-C 3.54Å; S7-V384 WeakPolarHBondContact O-CA 3.29Å; S7-K385 PolarHBondContact N-O 3.33Å; S7-K385 PolarHBondContact O-N 3.39Å |
| 8 | A | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R34 C35 A157 V160 A161 C212 | A8-R34 CarbonylContact O-C 3.37Å; A8-R34 VanDerWaalsContact O-CA 3.22Å; A8-R34 WeakPolarHBondContact O-CA 3.36Å; A8-R34 WeakPolarHBondContact O-CB 3.47Å; A8-C35 PolarHBondContact N-O 2.8Å; A8-C35 PolarHBondContact O-N 2.92Å; A8-A157 HydrophobicContact CB-CB 4.28Å; A8-A157 WeakPolarHBondContact CB-O 3.36Å; A8-V160 HydrophobicContact CB-CB 3.96Å; A8-V160 HydrophobicContact CB-CG1 3.75Å; A8-A161 HydrophobicContact CB-CB 4.09Å; A8-C212 HydrophobicContact CB-CB 4.45Å |
| 9 | P | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 160.4 | 178.7 | 34.8 | -37.2 | 0 | 0 | 0 | 111.3 | A30 I31 L33 A157 C212 A381 T382 | P9-A30 HydrophobicContact CB-CB 4.17Å; P9-A30 HydrophobicContact CG-CB 3.89Å; P9-I31 WeakPolarHBondContact CB-O 3.46Å; P9-L33 CarbonylContact C-O 3.52Å; P9-L33 WeakPolarHBondContact CA-O 3.4Å; P9-A157 WeakPolarHBondContact O-CB 3.45Å; P9-C212 WeakPolarHBondContact CD-O 3.38Å; P9-C212 PolarHBondContact O-SG 2.89Å; P9-A381 HydrophobicContact CB-CB 4.05Å; P9-T382 VanDerWaalsContact CG-O 3.31Å; P9-T382 WeakPolarHBondContact CG-O 3.34Å |
| 10 | A | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 178.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A30 I31 L33 I146 L152 | A10-A30 WeakPolarHBondContact O-CA 3.33Å; A10-I31 HydrophobicContact CB-CD1 3.93Å; A10-I31 HydrophobicContact CB-CG1 3.58Å; A10-I31 PolarHBondContact O-N 2.93Å; A10-L33 HydrophobicContact CB-CB 4.04Å; A10-L33 WeakPolarHBondContact CB-O 3.29Å; A10-L33 PolarHBondContact N-O 2.74Å; A10-I146 HydrophobicContact CB-CB 4.47Å; A10-I146 HydrophobicContact CB-CD1 3.7Å; A10-I146 HydrophobicContact CB-CG1 3.82Å; A10-I146 HydrophobicContact CB-CG2 3.84Å; A10-L152 WeakPolarHBondContact CA-O 3.13Å; A10-L152 HydrophobicContact CB-CB 4.34Å; A10-L152 VanDerWaalsContact CB-O 3.28Å; A10-L152 WeakPolarHBondContact CB-O 3.27Å |
| 11 | K | 95.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 155.2 | 174.4 | 65 | 93.2 | -162.9 | -148.7 | 0 | 112.5 | I13 T29 G151 L152 D208 I211 | K11-I13 HydrophobicContact CD-CG1 4.27Å; K11-T29 CarbonylContact C-O 3.54Å; K11-T29 VanDerWaalsContact CA-O 3.24Å; K11-T29 WeakPolarHBondContact CA-O 3.5Å; K11-G151 WeakPolarHBondContact CE-O 3.49Å; K11-L152 PolarHBondContact N-O 2.93Å; K11-L152 CarbonylContact O-C 3.58Å; K11-L152 VanDerWaalsContact O-CA 3.23Å; K11-L152 WeakPolarHBondContact O-CA 3.46Å; K11-D208 VanDerWaalsContact CE-CG 3.48Å; K11-D208 WeakPolarHBondContact CE-OD1 3.1Å; K11-D208 WeakPolarHBondContact CE-OD2 2.83Å; K11-D208 IonicContact NZ-OD1 3.82Å; K11-D208 PolarHBondContact NZ-OD1 3.45Å; K11-D208 IonicContact NZ-OD2 3.94Å; K11-D208 PolarHBondContact NZ-OD2 3.28Å; K11-I211 HydrophobicContact CB-CB 4.35Å; K11-I211 HydrophobicContact CB-CG1 4.02Å; K11-I211 HydrophobicContact CB-CG2 3.37Å; K11-I211 HydrophobicContact CG-CG2 3.71Å |
| 12 | A | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | L14 A28 T29 I31 L241 V347 | A12-L14 HydrophobicContact CB-CD2 4.44Å; A12-A28 CarbonylContact O-C 3.57Å; A12-A28 VanDerWaalsContact O-CA 3.29Å; A12-A28 WeakPolarHBondContact O-CA 3.41Å; A12-T29 HydrophobicContact CB-CG2 4.4Å; A12-T29 PolarHBondContact N-O 3.41Å; A12-T29 PolarHBondContact O-N 2.63Å; A12-I31 HydrophobicContact CB-CG2 4.05Å; A12-L241 HydrophobicContact CB-CD1 3.89Å; A12-V347 HydrophobicContact CB-CG2 4.27Å |
| 13 | I | 95.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 5% | 0.046 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 118 | 165.6 | -52.9 | -177.4 | 0 | 0 | 0 | 106.4 | K11 F15 E17 L207 T338 | K11-I13 HydrophobicContact CD-CG1 4.27Å; I13-F15 WeakPolarHBondContact CG2-O 3.41Å; I13-E17 HydrophobicContact CB-CG 4.45Å; I13-E17 HydrophobicContact CG2-CG 4.1Å; I13-E17 VanDerWaalsContact CG2-OE1 3.3Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.47Å; I13-L207 HydrophobicContact CD1-CD2 3.94Å; I13-L207 HydrophobicContact CG1-CD2 4.12Å; I13-T338 PolarHBondContact N-OG1 2.98Å; I13-T338 VanDerWaalsContact N-OG1 3.13Å; I13-T338 PolarHBondContact O-OG1 3.11Å |
| 14 | L | 94.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -49 | 176.4 | -54.8 | -170.9 | 0 | 0 | 0 | 109 | A12 V27 T29 L241 K336 F349 | A12-L14 HydrophobicContact CB-CD2 4.44Å; L14-V27 HydrophobicContact CB-CG1 4.25Å; L14-V27 HydrophobicContact CD1-CG1 4.04Å; L14-V27 HydrophobicContact CG-CG1 4.4Å; L14-V27 PolarHBondContact N-O 3.29Å; L14-T29 HydrophobicContact CD1-CG2 4.24Å; L14-T29 HydrophobicContact CD2-CG2 3.81Å; L14-T29 HydrophobicContact CG-CG2 4.15Å; L14-L241 HydrophobicContact CD2-CD1 3.97Å; L14-L241 HydrophobicContact CD2-CD2 4.44Å; L14-K336 WeakPolarHBondContact O-CD 3.38Å; L14-K336 VanDerWaalsContact O-CE 3.29Å; L14-K336 WeakPolarHBondContact O-CE 3.44Å; L14-K336 PolarHBondContact O-NZ 3.02Å; L14-F349 HydrophobicContact CB-CE1 4.48Å; L14-F349 HydrophobicContact CB-CZ 4.41Å; L14-F349 HydrophobicContact CD2-CE1 3.85Å; L14-F349 HydrophobicContact CD2-CZ 4.08Å |
| 15 | F | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 154.4 | -179.6 | -58.9 | -95 | 0 | 0 | 0 | 111.6 | I13 A26 V27 I280 V281 V284 L300 H303 I304 N307 | I13-F15 WeakPolarHBondContact CG2-O 3.41Å; F15-A26 CarbonylContact O-C 3.49Å; F15-A26 VanDerWaalsContact O-CA 3.27Å; F15-A26 WeakPolarHBondContact O-CA 3.34Å; F15-A26 WeakPolarHBondContact O-CB 3.47Å; F15-V27 PolarHBondContact N-O 3.37Å; F15-V27 PolarHBondContact O-N 3.32Å; F15-I280 HydrophobicContact CD1-CG2 3.7Å; F15-I280 HydrophobicContact CE1-CG2 3.96Å; F15-V281 HydrophobicContact CB-CG2 3.66Å; F15-V284 HydrophobicContact CD1-CG2 4.21Å; F15-V284 HydrophobicContact CD2-CB 4.3Å; F15-V284 HydrophobicContact CD2-CG1 3.72Å; F15-V284 HydrophobicContact CD2-CG2 4.1Å; F15-V284 HydrophobicContact CE1-CG2 3.95Å; F15-V284 HydrophobicContact CE2-CB 4.34Å; F15-V284 HydrophobicContact CE2-CG1 3.68Å; F15-V284 HydrophobicContact CE2-CG2 3.84Å; F15-V284 HydrophobicContact CG-CG2 4.3Å; F15-V284 HydrophobicContact CZ-CG1 4.42Å; F15-V284 HydrophobicContact CZ-CG2 3.74Å; F15-L300 HydrophobicContact CE2-CD1 3.89Å; F15-L300 HydrophobicContact CZ-CD1 3.82Å; F15-H303 HydrophobicContact CE1-CB 4.05Å; F15-H303 HydrophobicContact CZ-CB 4.35Å; F15-I304 HydrophobicContact CE1-CG1 4.3Å; F15-I304 HydrophobicContact CZ-CG1 3.7Å; F15-N307 HydrophobicContact CD1-CB 4.09Å; F15-N307 WeakPolarHBondContact CD1-ND2 3.38Å; F15-N307 HydrophobicContact CE1-CB 4.25Å |
| 16 | G | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | 92.6 | 20.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H18 V20 | G16-H18 PolarHBondContact O-N 3.34Å; G16-V20 WeakPolarHBondContact O-CB 3.36Å; G16-V20 PolarHBondContact O-N 2.93Å; G16-V20 VanDerWaalsContact O-N 3.08Å | ||
| 17 | E | 91.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 14.1 Ų | 14.1 | 5% | 0.051 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | -71.3 | -172.3 | -70.9 | 63.9 | -148.9 | 0 | 0 | 114.3 | I13 V20 N307 L311 K336 | I13-E17 HydrophobicContact CB-CG 4.45Å; I13-E17 HydrophobicContact CG2-CG 4.1Å; I13-E17 VanDerWaalsContact CG2-OE1 3.3Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.47Å; E17-V20 WeakPolarHBondContact O-CG1 3.37Å; E17-N307 PolarHBondContact OE2-ND2 3.11Å; E17-L311 HydrophobicContact CB-CD2 4.28Å; E17-L311 HydrophobicContact CG-CD1 4.48Å; E17-K336 VanDerWaalsContact CD-NZ 3.34Å; E17-K336 WeakPolarHBondContact OE1-CE 3.21Å; E17-K336 IonicContact OE1-NZ 2.59Å; E17-K336 PolarHBondContact OE1-NZ 3.19Å; E17-K336 IonicContact OE2-NZ 3.83Å |
| 18 | H | 90.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -27.8 | -179.9 | -75.6 | -85 | 0 | 0 | 0 | 111.4 | G16 V20 V21 Y22 F274 L314 A340 | G16-H18 PolarHBondContact O-N 3.34Å; H18-V20 PolarHBondContact O-N 3.41Å; H18-V21 WeakPolarHBondContact O-CB 3.5Å; H18-V21 PolarHBondContact O-N 2.89Å; H18-Y22 WeakPolarHBondContact O-CD2 3.23Å; H18-F274 HydrophobicContact CB-CE1 4.04Å; H18-L314 HydrophobicContact CB-CD2 3.86Å; H18-A340 PolarHBondContact CE1-O 3.28Å; H18-A340 PolarHBondContact NE2-O 3.16Å |
| 19 | A | 93 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -59.3 | -31.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V21 Y22 G23 Y24 F274 I277 | A19-V21 PolarHBondContact O-N 3.17Å; A19-Y22 CarbonylContact O-C 3.53Å; A19-Y22 WeakPolarHBondContact O-CA 3.31Å; A19-Y22 PolarHBondContact O-N 3.46Å; A19-G23 PolarHBondContact O-N 3.2Å; A19-Y24 HydrophobicContact CB-CD2 4.22Å; A19-Y24 HydrophobicContact CB-CG 4.31Å; A19-Y24 PolarHBondContact O-N 3.48Å; A19-F274 HydrophobicContact CB-CB 4.42Å; A19-F274 HydrophobicContact CB-CD1 4.05Å; A19-I277 HydrophobicContact CB-CB 4.04Å; A19-I277 HydrophobicContact CB-CG2 3.64Å |
| 20 | V | 89.7 | Confident | 93.4 | Very high | 10 Ų | 10 | 13.6 Ų | 13.6 | 6% | 0.061 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -61.5 | -27.3 | 176.7 | 74.9 | 0 | 0 | 0 | 0 | 114.4 | G16 E17 H18 Y22 Y24 A26 F220 K222 | G16-V20 WeakPolarHBondContact O-CB 3.36Å; G16-V20 PolarHBondContact O-N 2.93Å; G16-V20 VanDerWaalsContact O-N 3.08Å; E17-V20 WeakPolarHBondContact O-CG1 3.37Å; H18-V20 PolarHBondContact O-N 3.41Å; V20-Y22 PolarHBondContact O-N 3.17Å; V20-Y24 VanDerWaalsContact CA-O 3.26Å; V20-Y24 WeakPolarHBondContact CA-O 3.4Å; V20-A26 HydrophobicContact CB-CB 3.92Å; V20-A26 HydrophobicContact CG1-CB 4.47Å; V20-A26 HydrophobicContact CG2-CB 3.95Å; V20-F220 HydrophobicContact CG2-CD1 3.76Å; V20-F220 HydrophobicContact CG2-CE1 4.25Å; V20-K222 HydrophobicContact CG2-CB 4.26Å; V20-K222 WeakPolarHBondContact O-CB 3.15Å |
| 21 | V | 86.1 | Confident | 93.3 | Very high | 57 Ų | 57 | 13.6 Ų | 13.6 | 35% | 0.345 | 8% | 0.076 | S | C | . | . | G | 310 helix | trans | -67.6 | -25.4 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 111 | H18 A19 K222 | H18-V21 WeakPolarHBondContact O-CB 3.5Å; H18-V21 PolarHBondContact O-N 2.89Å; A19-V21 PolarHBondContact O-N 3.17Å; V21-K222 PolarHBondContact O-NZ 2.94Å |
| 22 | Y | 88 | Confident | 93.3 | Very high | 60 Ų | 60 | 16.5 Ų | 16.5 | 24% | 0.235 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -107.8 | 21.5 | -174.1 | -62.2 | -94.2 | 0 | 0 | 0 | 113.3 | H18 A19 V20 V259 W263 F274 | H18-Y22 WeakPolarHBondContact O-CD2 3.23Å; A19-Y22 CarbonylContact O-C 3.53Å; A19-Y22 WeakPolarHBondContact O-CA 3.31Å; A19-Y22 PolarHBondContact O-N 3.46Å; V20-Y22 PolarHBondContact O-N 3.17Å; Y22-V259 HydrophobicContact CE2-CG1 4.3Å; Y22-W263 HydrophobicContact CE1-CD2 4.26Å; Y22-W263 HydrophobicContact CE1-CG 4.06Å; Y22-F274 HydrophobicContact CD1-CD2 4.15Å; Y22-F274 AromaticContact CD1-CE2 3.73Å; Y22-F274 HydrophobicContact CD1-CE2 3.73Å; Y22-F274 AromaticContact CD2-CD2 3.86Å; Y22-F274 HydrophobicContact CD2-CD2 3.86Å; Y22-F274 HydrophobicContact CD2-CE1 4.14Å; Y22-F274 AromaticContact CD2-CE2 3.26Å; Y22-F274 HydrophobicContact CD2-CE2 3.26Å; Y22-F274 AromaticContact CD2-CZ 3.44Å; Y22-F274 HydrophobicContact CD2-CZ 3.44Å; Y22-F274 VanDerWaalsContact CD2-CZ 3.44Å; Y22-F274 AromaticContact CE1-CE2 3.8Å; Y22-F274 HydrophobicContact CE1-CE2 3.8Å; Y22-F274 HydrophobicContact CE2-CD2 4.4Å; Y22-F274 HydrophobicContact CE2-CE1 4.28Å; Y22-F274 AromaticContact CE2-CE2 3.37Å; Y22-F274 HydrophobicContact CE2-CE2 3.37Å; Y22-F274 AromaticContact CE2-CZ 3.31Å; Y22-F274 HydrophobicContact CE2-CZ 3.31Å; Y22-F274 AromaticContact CG-CD2 3.73Å; Y22-F274 HydrophobicContact CG-CD2 3.73Å; Y22-F274 AromaticContact CG-CE2 3.45Å; Y22-F274 HydrophobicContact CG-CE2 3.45Å; Y22-F274 VanDerWaalsContact CG-CE2 3.45Å; Y22-F274 HydrophobicContact CG-CZ 4.13Å; Y22-F274 AromaticContact CZ-CE2 3.63Å; Y22-F274 AromaticContact CZ-CZ 3.88Å |
| 23 | G | 89.5 | Confident | 93.3 | Very high | 45 Ų | 45 | 16.5 Ų | 16.5 | 46% | 0.464 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 3.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A19 | A19-G23 PolarHBondContact O-N 3.2Š|
| 24 | Y | 93.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 16.2 Ų | 16.2 | 27% | 0.267 | 9% | 0.088 | S | C | . | . | trans | -85.6 | 159 | 172 | -65.4 | -81.4 | 0 | 0 | 0 | 111.3 | A19 V20 F274 K275 | A19-Y24 HydrophobicContact CB-CD2 4.22Å; A19-Y24 HydrophobicContact CB-CG 4.31Å; A19-Y24 PolarHBondContact O-N 3.48Å; V20-Y24 VanDerWaalsContact CA-O 3.26Å; V20-Y24 WeakPolarHBondContact CA-O 3.4Å; Y24-F274 HydrophobicContact CD2-CB 3.88Å; Y24-F274 HydrophobicContact CE2-CB 3.58Å; Y24-K275 WeakPolarHBondContact OH-CA 3.32Å | ||
| 25 | P | 93.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 159.5 | 172.6 | 25.7 | -30.8 | 0 | 0 | 0 | 112.4 | V219 F220 R221 V281 | P25-V219 HydrophobicContact CB-CG1 3.89Å; P25-F220 WeakPolarHBondContact CA-O 3.44Å; P25-R221 HydrophobicContact CB-CG 4.09Å; P25-V281 HydrophobicContact CB-CG1 3.75Å; P25-V281 HydrophobicContact CG-CB 4.08Å; P25-V281 HydrophobicContact CG-CG1 3.56Å |
| 26 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.1 | 163 | 0 | 0 | 0 | 0 | 0 | 110.7 | F15 V20 V219 F220 | F15-A26 CarbonylContact O-C 3.49Å; F15-A26 VanDerWaalsContact O-CA 3.27Å; F15-A26 WeakPolarHBondContact O-CA 3.34Å; F15-A26 WeakPolarHBondContact O-CB 3.47Å; V20-A26 HydrophobicContact CB-CB 3.92Å; V20-A26 HydrophobicContact CG1-CB 4.47Å; V20-A26 HydrophobicContact CG2-CB 3.95Å; A26-V219 CarbonylContact O-C 3.55Å; A26-V219 WeakPolarHBondContact O-CA 3.49Å; A26-F220 PolarHBondContact N-O 2.9Å; A26-F220 PolarHBondContact O-N 2.93Å |
| 27 | V | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.9 | 169.5 | 177.1 | 0 | 0 | 0 | 0 | 108 | L14 F15 T217 I218 V219 V281 I285 L288 | L14-V27 HydrophobicContact CB-CG1 4.25Å; L14-V27 HydrophobicContact CD1-CG1 4.04Å; L14-V27 HydrophobicContact CG-CG1 4.4Å; L14-V27 PolarHBondContact N-O 3.29Å; F15-V27 PolarHBondContact N-O 3.37Å; F15-V27 PolarHBondContact O-N 3.32Å; V27-T217 HydrophobicContact CG1-CG2 3.8Å; V27-I218 WeakPolarHBondContact CA-O 3.38Å; V27-V219 HydrophobicContact CG2-CG2 4.46Å; V27-V281 HydrophobicContact CG2-CG1 3.95Å; V27-I285 HydrophobicContact CG2-CD1 4.18Å; V27-I285 HydrophobicContact CG2-CG1 3.65Å; V27-L288 HydrophobicContact CG1-CD1 4.1Å |
| 28 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A12 L207 T217 I218 | A12-A28 CarbonylContact O-C 3.57Å; A12-A28 VanDerWaalsContact O-CA 3.29Å; A12-A28 WeakPolarHBondContact O-CA 3.41Å; A28-L207 HydrophobicContact CB-CD1 3.86Å; A28-L207 HydrophobicContact CB-CD2 4.38Å; A28-L207 HydrophobicContact CB-CG 4.45Å; A28-T217 WeakPolarHBondContact O-CA 3.28Å; A28-I218 PolarHBondContact N-O 3.37Å; A28-I218 PolarHBondContact O-N 2.99Å |
| 29 | T | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.3 | 178.6 | -164.6 | 0 | 0 | 0 | 0 | 110.4 | K11 A12 L14 I31 G216 T217 L241 I379 E380 | K11-T29 CarbonylContact C-O 3.54Å; K11-T29 VanDerWaalsContact CA-O 3.24Å; K11-T29 WeakPolarHBondContact CA-O 3.5Å; A12-T29 HydrophobicContact CB-CG2 4.4Å; A12-T29 PolarHBondContact N-O 3.41Å; A12-T29 PolarHBondContact O-N 2.63Å; L14-T29 HydrophobicContact CD1-CG2 4.24Å; L14-T29 HydrophobicContact CD2-CG2 3.81Å; L14-T29 HydrophobicContact CG-CG2 4.15Å; T29-I31 HydrophobicContact CG2-CG2 4.1Å; T29-G216 CarbonylContact C-O 3.5Å; T29-G216 WeakPolarHBondContact CA-O 3.13Å; T29-G216 PolarHBondContact OG1-O 3.09Å; T29-T217 WeakPolarHBondContact CB-OG1 3.44Å; T29-T217 PolarHBondContact OG1-OG1 3.31Å; T29-L241 HydrophobicContact CG2-CD1 4.14Å; T29-I379 HydrophobicContact CG2-CB 3.99Å; T29-I379 HydrophobicContact CG2-CG2 3.83Å; T29-E380 PolarHBondContact OG1-N 3.19Å; T29-E380 VanDerWaalsContact OG1-N 3.09Å |
| 30 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P9 A10 I211 G216 I379 E380 A381 | P9-A30 HydrophobicContact CB-CB 4.17Å; P9-A30 HydrophobicContact CG-CB 3.89Å; A10-A30 WeakPolarHBondContact O-CA 3.33Å; A30-I211 HydrophobicContact CB-CD1 4.21Å; A30-I211 HydrophobicContact CB-CG1 4.09Å; A30-G216 PolarHBondContact N-O 3.29Å; A30-I379 CarbonylContact O-C 3.52Å; A30-E380 PolarHBondContact O-N 3.28Å; A30-E380 VanDerWaalsContact O-N 3.07Å; A30-A381 HydrophobicContact CB-CB 3.95Å; A30-A381 VanDerWaalsContact CB-O 3.23Å; A30-A381 WeakPolarHBondContact CB-O 3.45Å; A30-A381 PolarHBondContact O-N 3.49Å |
| 31 | I | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.5 | -179 | 63.9 | 177.9 | 0 | 0 | 0 | 110.7 | P9 A10 A12 T29 L33 L152 L241 I243 T377 A381 | P9-I31 WeakPolarHBondContact CB-O 3.46Å; A10-I31 HydrophobicContact CB-CD1 3.93Å; A10-I31 HydrophobicContact CB-CG1 3.58Å; A10-I31 PolarHBondContact O-N 2.93Å; A12-I31 HydrophobicContact CB-CG2 4.05Å; T29-I31 HydrophobicContact CG2-CG2 4.1Å; I31-L33 HydrophobicContact CD1-CD1 4.05Å; I31-L33 PolarHBondContact O-N 3.28Å; I31-L152 HydrophobicContact CD1-CD2 4.03Å; I31-L241 HydrophobicContact CG2-CD1 4.01Å; I31-I243 HydrophobicContact CD1-CD1 4.27Å; I31-I243 HydrophobicContact CD1-CG1 4.31Å; I31-T377 HydrophobicContact CB-CG2 3.83Å; I31-T377 HydrophobicContact CD1-CG2 4.36Å; I31-T377 HydrophobicContact CG2-CG2 4.01Å; I31-A381 VanDerWaalsContact C-CB 3.41Å |
| 32 | E | 93.9 | Very high | 95.1 | Very high | 69 Ų | 69 | 21.8 Ų | 21.8 | 32% | 0.322 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 57.1 | -173.5 | -157.7 | 63.3 | -150.9 | 0 | 0 | 112.3 | R34 T377 A381 | E32-R34 WeakPolarHBondContact OE1-CD 3.42Å; E32-T377 PolarHBondContact N-OG1 3.16Å; E32-A381 HydrophobicContact CB-CB 4.44Å; E32-A381 VanDerWaalsContact OE2-CB 3.23Å; E32-A381 WeakPolarHBondContact OE2-CB 3.4Å |
| 33 | L | 94.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.7 | 161.4 | -58.8 | 171 | 0 | 0 | 0 | 105.4 | P9 A10 I31 D145 I146 L152 W373 K375 | P9-L33 CarbonylContact C-O 3.52Å; P9-L33 WeakPolarHBondContact CA-O 3.4Å; A10-L33 HydrophobicContact CB-CB 4.04Å; A10-L33 WeakPolarHBondContact CB-O 3.29Å; A10-L33 PolarHBondContact N-O 2.74Å; I31-L33 HydrophobicContact CD1-CD1 4.05Å; I31-L33 PolarHBondContact O-N 3.28Å; L33-D145 HydrophobicContact CD2-CB 4.46Å; L33-I146 HydrophobicContact CB-CG1 3.97Å; L33-L152 HydrophobicContact CD1-CD1 4.2Å; L33-W373 HydrophobicContact CD1-CH2 3.77Å; L33-W373 HydrophobicContact CD1-CZ3 4.48Å; L33-W373 HydrophobicContact CD2-CH2 4.26Å; L33-K375 HydrophobicContact CD2-CD 3.75Å |
| 34 | R | 96.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.011 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152.8 | -169.7 | -48.3 | -176.6 | 69.9 | 80.7 | 3.1 | 112.4 | S7 A8 E32 Y36 D145 T382 G383 | S7-R34 VanDerWaalsContact C-NH2 3.34Å; S7-R34 PolarHBondContact O-NH2 3.38Å; S7-R34 PolarHBondContact OG-NE 2.79Å; S7-R34 PolarHBondContact OG-NH2 2.93Å; A8-R34 CarbonylContact O-C 3.37Å; A8-R34 VanDerWaalsContact O-CA 3.22Å; A8-R34 WeakPolarHBondContact O-CA 3.36Å; A8-R34 WeakPolarHBondContact O-CB 3.47Å; E32-R34 WeakPolarHBondContact OE1-CD 3.42Å; R34-Y36 HydrophobicContact CB-CD2 4.3Å; R34-Y36 HydrophobicContact CB-CE1 4.21Å; R34-Y36 HydrophobicContact CB-CE2 3.67Å; R34-Y36 WeakPolarHBondContact O-CD2 3.33Å; R34-Y36 WeakPolarHBondContact O-CE2 3.43Å; R34-D145 PolarHBondContact O-N 3.04Å; R34-T382 PolarHBondContact NH1-O 2.82Å; R34-G383 PolarHBondContact NH2-O 2.93Å |
| 35 | C | 97.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130.6 | 162.2 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | S7 A8 I146 A157 | S7-C35 CarbonylContact C-O 3.6Å; S7-C35 WeakPolarHBondContact CA-O 3.43Å; S7-C35 WeakPolarHBondContact CB-O 3.22Å; A8-C35 PolarHBondContact N-O 2.8Å; A8-C35 PolarHBondContact O-N 2.92Å; C35-I146 HydrophobicContact CB-CD1 4.22Å; C35-A157 HydrophobicContact CB-CB 3.96Å |
| 36 | Y | 97.7 | Very high | 95.3 | Very high | 66 Ų | 66 | 30.9 Ų | 30.9 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.6 | -173.6 | -61.8 | -90.5 | 0 | 0 | 0 | 110.6 | V5 V6 R34 I142 Q143 D145 | V5-Y36 HydrophobicContact CG1-CD1 4.12Å; V6-Y36 WeakPolarHBondContact O-CA 3.32Å; R34-Y36 HydrophobicContact CB-CD2 4.3Å; R34-Y36 HydrophobicContact CB-CE1 4.21Å; R34-Y36 HydrophobicContact CB-CE2 3.67Å; R34-Y36 WeakPolarHBondContact O-CD2 3.33Å; R34-Y36 WeakPolarHBondContact O-CE2 3.43Å; Y36-I142 WeakPolarHBondContact O-CA 3.39Å; Y36-Q143 PolarHBondContact N-O 3.15Å; Y36-Q143 PolarHBondContact O-N 2.97Å; Y36-D145 WeakPolarHBondContact CE2-OD2 3.37Å |
| 37 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 102.8 | 171.9 | -80.9 | -118.1 | 0 | 0 | 0 | 107.3 | V5 V6 M109 V140 E141 I142 F158 A161 A162 T165 | V5-F37 WeakPolarHBondContact CA-O 3.26Å; V6-F37 HydrophobicContact CB-CB 4.34Å; V6-F37 PolarHBondContact N-O 3.06Å; V6-F37 PolarHBondContact O-N 2.86Å; F37-M109 HydrophobicContact CE1-CE 3.98Å; F37-M109 HydrophobicContact CE1-SD 3.79Å; F37-M109 HydrophobicContact CZ-SD 4.38Å; F37-V140 HydrophobicContact CD1-CG1 3.71Å; F37-V140 HydrophobicContact CE1-CG1 4.38Å; F37-E141 CarbonylContact C-O 3.31Å; F37-E141 WeakPolarHBondContact CA-O 3.4Å; F37-I142 HydrophobicContact CD1-CD1 4.05Å; F37-I142 HydrophobicContact CD1-CG1 3.8Å; F37-I142 HydrophobicContact CD2-CG1 4.45Å; F37-I142 HydrophobicContact CD2-CG2 4.24Å; F37-I142 HydrophobicContact CE1-CD1 3.43Å; F37-I142 VanDerWaalsContact CE1-CD1 3.43Å; F37-I142 HydrophobicContact CE1-CG1 3.65Å; F37-I142 HydrophobicContact CE2-CG1 4.32Å; F37-I142 HydrophobicContact CE2-CG2 3.77Å; F37-I142 HydrophobicContact CG-CG1 4.2Å; F37-I142 HydrophobicContact CZ-CD1 3.73Å; F37-I142 HydrophobicContact CZ-CG1 3.93Å; F37-I142 HydrophobicContact CZ-CG2 3.93Å; F37-F158 HydrophobicContact CE1-CE2 4.47Å; F37-F158 AromaticContact CE2-CD2 3.92Å; F37-F158 HydrophobicContact CE2-CD2 3.92Å; F37-F158 HydrophobicContact CE2-CE2 4.22Å; F37-F158 AromaticContact CZ-CD2 3.66Å; F37-F158 HydrophobicContact CZ-CD2 3.66Å; F37-F158 AromaticContact CZ-CE2 3.52Å; F37-F158 HydrophobicContact CZ-CE2 3.52Å; F37-F158 HydrophobicContact CZ-CG 4.49Å; F37-F158 HydrophobicContact CZ-CZ 4.24Å; F37-A161 HydrophobicContact CD2-CB 3.43Å; F37-A161 VanDerWaalsContact CD2-CB 3.43Å; F37-A161 HydrophobicContact CE2-CB 3.63Å; F37-A161 HydrophobicContact CG-CB 4.29Å; F37-A162 HydrophobicContact CE1-CB 3.82Å; F37-A162 HydrophobicContact CZ-CB 3.65Å; F37-T165 HydrophobicContact CB-CG2 4.47Å; F37-T165 WeakPolarHBondContact CB-OG1 3.37Å; F37-T165 HydrophobicContact CD1-CG2 4.24Å |
| 38 | T | 97.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 17% | 0.172 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 116.3 | 176 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | V5 E141 | V5-T38 HydrophobicContact CG2-CG2 4.25Å; T38-E141 PolarHBondContact N-O 3.36Å; T38-E141 PolarHBondContact O-N 3.19Å |
| 39 | V | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.9 | -178.1 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | K3 F4 I41 I138 C139 V140 T165 L169 | K3-V39 VanDerWaalsContact CA-O 3.29Å; K3-V39 WeakPolarHBondContact CA-O 3.47Å; F4-V39 HydrophobicContact CD1-CB 3.89Å; F4-V39 HydrophobicContact CD1-CG1 4.16Å; F4-V39 HydrophobicContact CD2-CB 4.19Å; F4-V39 HydrophobicContact CD2-CG2 4.33Å; F4-V39 HydrophobicContact CE1-CB 3.49Å; F4-V39 VanDerWaalsContact CE1-CB 3.49Å; F4-V39 HydrophobicContact CE1-CG1 3.43Å; F4-V39 VanDerWaalsContact CE1-CG1 3.43Å; F4-V39 HydrophobicContact CE1-CG2 4.12Å; F4-V39 HydrophobicContact CE2-CB 3.8Å; F4-V39 HydrophobicContact CE2-CG1 4.46Å; F4-V39 HydrophobicContact CE2-CG2 3.63Å; F4-V39 HydrophobicContact CG-CB 4.25Å; F4-V39 HydrophobicContact CZ-CB 3.45Å; F4-V39 VanDerWaalsContact CZ-CB 3.45Å; F4-V39 HydrophobicContact CZ-CG1 3.62Å; F4-V39 HydrophobicContact CZ-CG2 3.52Å; F4-V39 PolarHBondContact N-O 3.01Å; F4-V39 PolarHBondContact O-N 3.28Å; V39-I41 HydrophobicContact CG1-CD1 4.49Å; V39-I41 HydrophobicContact CG1-CG1 4.04Å; V39-I138 HydrophobicContact CG1-CG2 4.22Å; V39-C139 CarbonylContact C-O 3.59Å; V39-C139 VanDerWaalsContact CA-O 3.32Å; V39-C139 WeakPolarHBondContact CA-O 3.46Å; V39-V140 HydrophobicContact CG2-CG1 4.2Å; V39-V140 HydrophobicContact CG2-CG2 4.11Å; V39-T165 HydrophobicContact CG2-CG2 3.53Å; V39-L169 HydrophobicContact CG1-CD2 4Å |
| 40 | T | 96.3 | Very high | 95.2 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 13% | 0.129 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127 | 173 | -64.3 | 0 | 0 | 0 | 0 | 109.7 | M1 K42 I138 C139 | M1-T40 HydrophobicContact CE-CG2 3.62Å; M1-T40 HydrophobicContact CG-CG2 4.44Å; M1-T40 HydrophobicContact SD-CG2 4.2Å; T40-K42 HydrophobicContact CG2-CG 4.11Å; T40-I138 WeakPolarHBondContact O-CA 3.17Å; T40-C139 PolarHBondContact N-O 3.44Å; T40-C139 PolarHBondContact O-N 2.98Å |
| 41 | I | 95 | Very high | 95.3 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.2 | 177.2 | -48.6 | 176.8 | 0 | 0 | 0 | 108.7 | K2 F4 V39 L131 N136 T137 I138 L169 | K2-I41 HydrophobicContact CB-CB 4.23Å; K2-I41 PolarHBondContact N-O 2.9Å; K2-I41 PolarHBondContact O-N 2.86Å; F4-I41 HydrophobicContact CE1-CD1 4.21Å; V39-I41 HydrophobicContact CG1-CD1 4.49Å; V39-I41 HydrophobicContact CG1-CG1 4.04Å; I41-L131 HydrophobicContact CD1-CD1 3.85Å; I41-L131 HydrophobicContact CD1-CD2 4.09Å; I41-L131 HydrophobicContact CD1-CG 4.49Å; I41-L131 HydrophobicContact CG2-CD2 4.37Å; I41-N136 HydrophobicContact CG2-CB 3.87Å; I41-T137 WeakPolarHBondContact CA-O 3.48Å; I41-I138 HydrophobicContact CG1-CG1 4.38Å; I41-I138 HydrophobicContact CG2-CG1 4.28Å; I41-L169 HydrophobicContact CD1-CD2 4.13Å |
| 42 | K | 94.4 | Very high | 95.3 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.7 | 175.9 | -58.8 | 179.4 | -176.5 | 176.5 | 0 | 110 | T40 E44 N136 T137 | T40-K42 HydrophobicContact CG2-CG 4.11Å; K42-E44 HydrophobicContact CB-CB 4.33Å; K42-E44 HydrophobicContact CB-CG 4.23Å; K42-E44 WeakPolarHBondContact CD-OE2 3.43Å; K42-E44 PolarHBondContact O-N 2.96Å; K42-N136 CarbonylContact O-C 3.55Å; K42-N136 WeakPolarHBondContact O-CA 3.49Å; K42-T137 PolarHBondContact N-O 3.14Å; K42-T137 PolarHBondContact O-N 3.01Å |
| 43 | N | 92 | Very high | 95.4 | Very high | 147 Ų | 147 | 38.4 Ų | 38.4 | 79% | 0.786 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -81.6 | 62.7 | 174.5 | -166.9 | 20.3 | 0 | 0 | 0 | 109.7 | ||
| 44 | E | 91.9 | Very high | 95.4 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -132.8 | 126.7 | -178.1 | -73.4 | 170.5 | -174.1 | 0 | 0 | 106.3 | K42 C46 N135 N136 T137 | K42-E44 HydrophobicContact CB-CB 4.33Å; K42-E44 HydrophobicContact CB-CG 4.23Å; K42-E44 WeakPolarHBondContact CD-OE2 3.43Å; K42-E44 PolarHBondContact O-N 2.96Å; E44-C46 PolarHBondContact O-N 3.17Å; E44-N135 CarbonylContact C-O 3.46Å; E44-N136 CarbonylContact O-C 3.6Å; E44-N136 WeakPolarHBondContact O-CA 3.24Å; E44-T137 WeakPolarHBondContact CB-OG1 3.35Å; E44-T137 PolarHBondContact O-N 2.93Å; E44-T137 PolarHBondContact O-OG1 3.07Å |
| 45 | A | 92.7 | Very high | 95 | Very high | 87 Ų | 87 | 46.9 Ų | 46.9 | 72% | 0.719 | 25% | 0.245 | S | C | * | . | trans | -65.5 | 127.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G134 | A45-G134 CarbonylContact C-O 3.5Å; A45-G134 VanDerWaalsContact CA-O 3.23Å; A45-G134 WeakPolarHBondContact CA-O 3.47Å | ||
| 46 | C | 93.3 | Very high | 94.5 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | trans | -153.7 | 126.3 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | E44 D48 G134 T137 | E44-C46 PolarHBondContact O-N 3.17Å; C46-D48 PolarHBondContact O-N 3.1Å; C46-D48 PolarHBondContact SG-N 3.5Å; C46-D48 PolarHBondContact SG-O 3.42Å; C46-G134 PolarHBondContact N-O 3.23Å; C46-G134 CarbonylContact O-C 3.58Å; C46-G134 WeakPolarHBondContact O-CA 3.41Å; C46-T137 HydrophobicContact CB-CG2 4.28Å; C46-T137 VanDerWaalsContact CB-OG1 3.29Å; C46-T137 WeakPolarHBondContact CB-OG1 3.36Å | ||
| 47 | E | 92.8 | Very high | 94 | Very high | 127 Ų | 127 | 47.8 Ų | 47.8 | 59% | 0.593 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -82 | -3.3 | 179.2 | -63.8 | -167.9 | 170.3 | 0 | 0 | 113 | I65 | E47-I65 WeakPolarHBondContact O-CB 3.19Å; E47-I65 VanDerWaalsContact O-CG1 3.29Å; E47-I65 WeakPolarHBondContact O-CG1 3.33Å; E47-I65 PolarHBondContact O-N 3.39Å |
| 48 | D | 94.6 | Very high | 93.4 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 148.4 | -176.9 | -58.1 | -19.6 | 0 | 0 | 0 | 112 | C46 H62 I63 P64 | C46-D48 PolarHBondContact O-N 3.1Å; C46-D48 PolarHBondContact SG-N 3.5Å; C46-D48 PolarHBondContact SG-O 3.42Å; D48-H62 HydrophobicContact CB-CB 4.2Å; D48-H62 IonicContact OD2-CG 2.78Å; D48-H62 IonicContact OD2-ND1 3.21Å; D48-H62 PolarHBondContact OD2-ND1 3.37Å; D48-I63 WeakPolarHBondContact CA-O 3.42Å; D48-P64 VanDerWaalsContact OD1-CA 3.27Å; D48-P64 WeakPolarHBondContact OD1-CA 3.45Å |
| 49 | I | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121 | 161.5 | -51.7 | 175.9 | 0 | 0 | 0 | 107.1 | I51 I63 I65 F68 F113 L132 I138 V140 | I49-I51 HydrophobicContact CG2-CG1 4.31Å; I49-I63 PolarHBondContact N-O 2.95Å; I49-I63 PolarHBondContact O-N 3.47Å; I49-I65 HydrophobicContact CD1-CG1 4.44Å; I49-I65 HydrophobicContact CG1-CG1 3.91Å; I49-F68 HydrophobicContact CD1-CE2 4.17Å; I49-F113 HydrophobicContact CD1-CD1 4.41Å; I49-F113 HydrophobicContact CD1-CE1 3.71Å; I49-F113 HydrophobicContact CD1-CE2 3.97Å; I49-F113 HydrophobicContact CD1-CZ 3.46Å; I49-F113 VanDerWaalsContact CD1-CZ 3.46Å; I49-F113 HydrophobicContact CG2-CZ 4.44Å; I49-L132 HydrophobicContact CD1-CD2 3.83Å; I49-L132 HydrophobicContact CG1-CD2 4.31Å; I49-I138 HydrophobicContact CG2-CB 4.48Å; I49-I138 HydrophobicContact CG2-CG2 4.12Å; I49-V140 HydrophobicContact CG2-CG2 4.28Å |
| 50 | I | 97.1 | Very high | 92.9 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 16% | 0.159 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.5 | -179 | -52.5 | 173.6 | 0 | 0 | 0 | 108.4 | T137 I138 C139 V140 | I50-T137 HydrophobicContact CD1-CG2 4.25Å; I50-I138 PolarHBondContact N-O 3.4Å; I50-C139 HydrophobicContact CB-CB 4.43Å; I50-C139 CarbonylContact O-C 3.36Å; I50-C139 WeakPolarHBondContact O-CA 3.44Å; I50-V140 PolarHBondContact O-N 3.36Å |
| 51 | I | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.1 | -178.9 | -54.7 | -176.7 | 0 | 0 | 0 | 110.1 | I49 F53 S60 I61 I63 M109 V140 I142 | I49-I51 HydrophobicContact CG2-CG1 4.31Å; I51-F53 HydrophobicContact CB-CE2 4.44Å; I51-F53 HydrophobicContact CG2-CD2 4.02Å; I51-F53 HydrophobicContact CG2-CE1 4.27Å; I51-F53 HydrophobicContact CG2-CE2 3.59Å; I51-F53 HydrophobicContact CG2-CZ 3.73Å; I51-S60 WeakPolarHBondContact O-CA 3.32Å; I51-I61 HydrophobicContact CB-CB 4.48Å; I51-I61 PolarHBondContact N-O 2.85Å; I51-I61 PolarHBondContact O-N 3.29Å; I51-I63 HydrophobicContact CD1-CD1 3.45Å; I51-I63 VanDerWaalsContact CD1-CD1 3.45Å; I51-I63 HydrophobicContact CD1-CG1 4.19Å; I51-I63 HydrophobicContact CG1-CD1 4.46Å; I51-M109 HydrophobicContact CD1-CB 4.22Å; I51-M109 HydrophobicContact CD1-CE 3.89Å; I51-M109 HydrophobicContact CD1-CG 4.22Å; I51-V140 WeakPolarHBondContact CA-O 3.49Å; I51-V140 HydrophobicContact CG1-CB 4.47Å; I51-I142 HydrophobicContact CG2-CD1 3.63Å; I51-I142 HydrophobicContact CG2-CG1 4.5Å |
| 52 | D | 96.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 67.7 Ų | 67.7 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 105.2 | 178 | -76.8 | 0.9 | 0 | 0 | 0 | 110.3 | K54 S60 V140 E141 I142 | D52-K54 HydrophobicContact CB-CD 4.16Å; D52-K54 PolarHBondContact O-N 2.88Å; D52-K54 IonicContact OD2-NZ 3.99Å; D52-K54 PolarHBondContact OD2-NZ 3.2Å; D52-S60 WeakPolarHBondContact OD1-CA 3.15Å; D52-S60 WeakPolarHBondContact OD1-CB 3.42Å; D52-S60 PolarHBondContact OD1-OG 2.94Å; D52-V140 PolarHBondContact N-O 3.49Å; D52-E141 HydrophobicContact CB-CB 4.49Å; D52-E141 HydrophobicContact CB-CG 4.23Å; D52-I142 PolarHBondContact O-N 2.96Å |
| 53 | F | 95.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 81.6 | 170.5 | -62.4 | -82.3 | 0 | 0 | 0 | 110.3 | I51 D55 L56 S57 I61 I102 M109 I142 F158 | I51-F53 HydrophobicContact CB-CE2 4.44Å; I51-F53 HydrophobicContact CG2-CD2 4.02Å; I51-F53 HydrophobicContact CG2-CE1 4.27Å; I51-F53 HydrophobicContact CG2-CE2 3.59Å; I51-F53 HydrophobicContact CG2-CZ 3.73Å; F53-D55 PolarHBondContact O-N 3.42Å; F53-L56 HydrophobicContact CB-CB 3.81Å; F53-L56 HydrophobicContact CB-CD1 4.19Å; F53-L56 HydrophobicContact CB-CG 4.36Å; F53-L56 HydrophobicContact CD1-CD1 4.31Å; F53-L56 HydrophobicContact CG-CD1 4.36Å; F53-L56 PolarHBondContact O-N 3.23Å; F53-S57 PolarHBondContact O-N 3.42Å; F53-I61 HydrophobicContact CD2-CG1 4.32Å; F53-I61 HydrophobicContact CE2-CG1 4.23Å; F53-I102 HydrophobicContact CD2-CD1 4.32Å; F53-I102 HydrophobicContact CD2-CG1 4.03Å; F53-I102 HydrophobicContact CE2-CG1 4.38Å; F53-M109 HydrophobicContact CZ-CG 4.34Å; F53-I142 HydrophobicContact CD1-CB 4.26Å; F53-I142 HydrophobicContact CD1-CD1 3.72Å; F53-I142 HydrophobicContact CD1-CG2 4.43Å; F53-I142 HydrophobicContact CE1-CD1 3.44Å; F53-I142 VanDerWaalsContact CE1-CD1 3.44Å; F53-I142 HydrophobicContact CZ-CD1 4.1Å; F53-F158 HydrophobicContact CD1-CE2 4.47Å; F53-F158 AromaticContact CE1-CE2 3.83Å; F53-F158 HydrophobicContact CE1-CE2 3.83Å; F53-F158 AromaticContact CE1-CZ 3.99Å; F53-F158 HydrophobicContact CE1-CZ 3.99Å |
| 54 | K | 94 | Very high | 92.9 | Very high | 98 Ų | 98 | 57.8 Ų | 57.8 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.7 | -171.2 | -60.2 | -61.6 | -171.1 | -167.8 | 0 | 113.8 | D52 E141 I142 | D52-K54 HydrophobicContact CB-CD 4.16Å; D52-K54 PolarHBondContact O-N 2.88Å; D52-K54 IonicContact OD2-NZ 3.99Å; D52-K54 PolarHBondContact OD2-NZ 3.2Å; K54-E141 WeakPolarHBondContact CE-OE1 3.27Å; K54-E141 IonicContact NZ-OE1 2.77Å; K54-E141 PolarHBondContact NZ-OE1 3.02Å; K54-I142 PolarHBondContact N-O 2.87Å |
| 55 | D | 87.9 | Confident | 92.9 | Very high | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -1.7 | 179.7 | -56.2 | -39.8 | 0 | 0 | 0 | 114.2 | F53 S144 | F53-D55 PolarHBondContact O-N 3.42Å; D55-S144 PolarHBondContact OD2-N 2.91Å |
| 56 | L | 87 | Confident | 92.6 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -33.1 | -173.7 | -72.3 | -179 | 0 | 0 | 0 | 114.6 | F53 P101 I102 R148 | F53-L56 HydrophobicContact CB-CB 3.81Å; F53-L56 HydrophobicContact CB-CD1 4.19Å; F53-L56 HydrophobicContact CB-CG 4.36Å; F53-L56 HydrophobicContact CD1-CD1 4.31Å; F53-L56 HydrophobicContact CG-CD1 4.36Å; F53-L56 PolarHBondContact O-N 3.23Å; L56-P101 HydrophobicContact CD1-CB 4.29Å; L56-P101 HydrophobicContact CD2-CB 3.98Å; L56-I102 HydrophobicContact CD1-CB 4.35Å; L56-R148 VanDerWaalsContact CG-NH1 3.27Å |
| 57 | S | 86.3 | Confident | 92.3 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | trans | -154.3 | 143.2 | -173.7 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | F53 N59 I102 | F53-S57 PolarHBondContact O-N 3.42Å; S57-N59 VanDerWaalsContact C-N 3.3Å; S57-N59 PolarHBondContact OG-N 3.22Å; S57-N59 PolarHBondContact OG-O 3.04Å; S57-I102 VanDerWaalsContact CB-CD1 3.45Å | ||
| 58 | E | 85.8 | Confident | 91.8 | Very high | 200 Ų | 200 | 51.2 Ų | 51.2 | 94% | 0.935 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -75.6 | -23.4 | 169.1 | -63.2 | -174.7 | 171.5 | 0 | 0 | 111.9 | ||
| 59 | N | 90.2 | Very high | 90.9 | Very high | 124 Ų | 124 | 56 Ų | 56 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -89.9 | 137.5 | 179.3 | -64 | -35 | 0 | 0 | 0 | 111.7 | S57 | S57-N59 VanDerWaalsContact C-N 3.3Å; S57-N59 PolarHBondContact OG-N 3.22Å; S57-N59 PolarHBondContact OG-O 3.04Å |
| 60 | S | 94.7 | Very high | 89.6 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 145.1 | 169.6 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | I51 D52 | I51-S60 WeakPolarHBondContact O-CA 3.32Å; D52-S60 WeakPolarHBondContact OD1-CA 3.15Å; D52-S60 WeakPolarHBondContact OD1-CB 3.42Å; D52-S60 PolarHBondContact OD1-OG 2.94Å |
| 61 | I | 95.5 | Very high | 88.3 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.6 | 168.3 | -58 | -58.5 | 0 | 0 | 0 | 108.6 | I51 F53 I63 L88 F89 I102 T106 | I51-I61 HydrophobicContact CB-CB 4.48Å; I51-I61 PolarHBondContact N-O 2.85Å; I51-I61 PolarHBondContact O-N 3.29Å; F53-I61 HydrophobicContact CD2-CG1 4.32Å; F53-I61 HydrophobicContact CE2-CG1 4.23Å; I61-I63 HydrophobicContact CG2-CG1 4.1Å; I61-L88 HydrophobicContact CG2-CD2 3.62Å; I61-L88 HydrophobicContact CG2-CG 4.49Å; I61-F89 HydrophobicContact CD1-CE1 3.97Å; I61-F89 HydrophobicContact CD1-CZ 3.65Å; I61-F89 HydrophobicContact CG1-CZ 4.37Å; I61-I102 HydrophobicContact CD1-CD1 4.07Å; I61-I102 HydrophobicContact CG1-CD1 4.18Å; I61-I102 HydrophobicContact CG1-CG1 4.45Å; I61-T106 HydrophobicContact CG2-CG2 4.01Å |
| 62 | H | 95.3 | Very high | 86.9 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 38% | 0.384 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.1 | 178.8 | -74.2 | -119.6 | 0 | 0 | 0 | 109.2 | D48 P64 L88 | D48-H62 HydrophobicContact CB-CB 4.2Å; D48-H62 IonicContact OD2-CG 2.78Å; D48-H62 IonicContact OD2-ND1 3.21Å; D48-H62 PolarHBondContact OD2-ND1 3.37Å; H62-P64 VanDerWaalsContact O-CD 3.23Å; H62-P64 WeakPolarHBondContact O-CD 3.5Å; H62-L88 WeakPolarHBondContact O-CD1 3.45Å |
| 63 | I | 94.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 105.1 | 178.6 | -55.1 | -174.7 | 0 | 0 | 0 | 109.2 | D48 I49 I51 I61 I65 M67 F68 L88 T106 V110 | D48-I63 WeakPolarHBondContact CA-O 3.42Å; I49-I63 PolarHBondContact N-O 2.95Å; I49-I63 PolarHBondContact O-N 3.47Å; I51-I63 HydrophobicContact CD1-CD1 3.45Å; I51-I63 VanDerWaalsContact CD1-CD1 3.45Å; I51-I63 HydrophobicContact CD1-CG1 4.19Å; I51-I63 HydrophobicContact CG1-CD1 4.46Å; I61-I63 HydrophobicContact CG2-CG1 4.1Å; I63-I65 PolarHBondContact O-N 3.07Å; I63-M67 HydrophobicContact CG2-SD 4.24Å; I63-F68 HydrophobicContact CG2-CE2 4.03Å; I63-F68 HydrophobicContact CG2-CZ 3.67Å; I63-L88 HydrophobicContact CG1-CD2 4.09Å; I63-T106 HydrophobicContact CD1-CG2 4.17Å; I63-V110 HydrophobicContact CD1-CG2 3.93Å |
| 64 | P | 92.6 | Very high | 84.6 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 16% | 0.156 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 125.9 | 176.6 | -18.5 | 18.1 | 0 | 0 | 0 | 112.6 | D48 H62 R66 M67 | D48-P64 VanDerWaalsContact OD1-CA 3.27Å; D48-P64 WeakPolarHBondContact OD1-CA 3.45Å; H62-P64 VanDerWaalsContact O-CD 3.23Å; H62-P64 WeakPolarHBondContact O-CD 3.5Å; P64-R66 HydrophobicContact CB-CG 3.92Å; P64-R66 PolarHBondContact O-N 3.38Å; P64-R66 VanDerWaalsContact O-N 3.17Å; P64-M67 HydrophobicContact CB-CG 4Å; P64-M67 HydrophobicContact CB-SD 4.12Å; P64-M67 WeakPolarHBondContact CD-SD 3.32Å; P64-M67 HydrophobicContact CG-CG 4.19Å; P64-M67 HydrophobicContact CG-SD 3.76Å; P64-M67 VanDerWaalsContact O-CB 3.24Å; P64-M67 WeakPolarHBondContact O-CB 3.26Å; P64-M67 WeakPolarHBondContact O-CG 3.33Å; P64-M67 PolarHBondContact O-N 2.98Å |
| 65 | I | 90.2 | Very high | 83.7 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -56.6 | -36.9 | 179.3 | -66.1 | 166.5 | 0 | 0 | 0 | 110.7 | E47 I49 I63 M67 F68 L132 | E47-I65 WeakPolarHBondContact O-CB 3.19Å; E47-I65 VanDerWaalsContact O-CG1 3.29Å; E47-I65 WeakPolarHBondContact O-CG1 3.33Å; E47-I65 PolarHBondContact O-N 3.39Å; I49-I65 HydrophobicContact CD1-CG1 4.44Å; I49-I65 HydrophobicContact CG1-CG1 3.91Å; I63-I65 PolarHBondContact O-N 3.07Å; I65-M67 PolarHBondContact O-N 3.24Å; I65-M67 VanDerWaalsContact O-N 3.12Å; I65-F68 VanDerWaalsContact O-CD2 3.31Å; I65-F68 WeakPolarHBondContact O-CD2 3.04Å; I65-F68 PolarHBondContact O-N 3.34Å; I65-F68 VanDerWaalsContact O-N 3.15Å; I65-L132 HydrophobicContact CG2-CB 4.05Å; I65-L132 WeakPolarHBondContact CG2-O 3.4Å |
| 66 | R | 87.4 | Confident | 83.8 | Confident | 167 Ų | 167 | 75.7 Ų | 75.7 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -59.2 | -22.8 | 178.2 | 68.1 | -176.6 | -176.9 | -169.6 | 0.6 | 114.2 | P64 F68 H69 | P64-R66 HydrophobicContact CB-CG 3.92Å; P64-R66 PolarHBondContact O-N 3.38Å; P64-R66 VanDerWaalsContact O-N 3.17Å; R66-F68 PolarHBondContact O-N 3.01Å; R66-H69 WeakPolarHBondContact O-CB 3.09Å; R66-H69 PolarHBondContact O-N 3.29Å; R66-H69 VanDerWaalsContact O-N 3.11Å |
| 67 | M | 87.2 | Confident | 84.1 | Confident | 25 Ų | 25 | 74 Ų | 74 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -60 | -27.3 | 178 | -71.7 | 173.2 | 70.6 | 0 | 0 | 112.2 | I63 P64 I65 S70 L84 | I63-M67 HydrophobicContact CG2-SD 4.24Å; P64-M67 HydrophobicContact CB-CG 4Å; P64-M67 HydrophobicContact CB-SD 4.12Å; P64-M67 WeakPolarHBondContact CD-SD 3.32Å; P64-M67 HydrophobicContact CG-CG 4.19Å; P64-M67 HydrophobicContact CG-SD 3.76Å; P64-M67 VanDerWaalsContact O-CB 3.24Å; P64-M67 WeakPolarHBondContact O-CB 3.26Å; P64-M67 WeakPolarHBondContact O-CG 3.33Å; P64-M67 PolarHBondContact O-N 2.98Å; I65-M67 PolarHBondContact O-N 3.24Å; I65-M67 VanDerWaalsContact O-N 3.12Å; M67-S70 PolarHBondContact O-OG 3.24Å; M67-S70 VanDerWaalsContact O-OG 3.05Å; M67-L84 HydrophobicContact CB-CD1 4.46Å; M67-L84 HydrophobicContact CB-CD2 4.24Å; M67-L84 HydrophobicContact CE-CB 3.54Å; M67-L84 HydrophobicContact CE-CD1 4.36Å; M67-L84 HydrophobicContact CE-CD2 3.65Å; M67-L84 HydrophobicContact CE-CG 4.01Å; M67-L84 WeakPolarHBondContact CE-O 3.25Å; M67-L84 HydrophobicContact CG-CD2 4.47Å |
| 68 | F | 81.8 | Confident | 84.4 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -84.8 | -16.4 | -179.2 | -51 | -64.9 | 0 | 0 | 0 | 113.3 | I49 I63 I65 R66 S70 V110 F113 I114 M117 | I49-F68 HydrophobicContact CD1-CE2 4.17Å; I63-F68 HydrophobicContact CG2-CE2 4.03Å; I63-F68 HydrophobicContact CG2-CZ 3.67Å; I65-F68 VanDerWaalsContact O-CD2 3.31Å; I65-F68 WeakPolarHBondContact O-CD2 3.04Å; I65-F68 PolarHBondContact O-N 3.34Å; I65-F68 VanDerWaalsContact O-N 3.15Å; R66-F68 PolarHBondContact O-N 3.01Å; F68-S70 VanDerWaalsContact C-N 3.29Å; F68-S70 PolarHBondContact O-N 2.93Å; F68-V110 HydrophobicContact CE1-CG1 4.24Å; F68-F113 HydrophobicContact CD1-CB 4Å; F68-F113 HydrophobicContact CE1-CB 3.38Å; F68-F113 HydrophobicContact CE1-CD2 4.45Å; F68-F113 HydrophobicContact CE1-CG 4.11Å; F68-F113 HydrophobicContact CE2-CB 4.22Å; F68-F113 HydrophobicContact CE2-CD2 4.48Å; F68-F113 HydrophobicContact CE2-CG 4.18Å; F68-F113 HydrophobicContact CZ-CB 3.51Å; F68-F113 HydrophobicContact CZ-CD1 4.44Å; F68-F113 AromaticContact CZ-CD2 3.82Å; F68-F113 HydrophobicContact CZ-CD2 3.82Å; F68-F113 AromaticContact CZ-CG 3.69Å; F68-F113 HydrophobicContact CZ-CG 3.69Å; F68-I114 HydrophobicContact CD1-CG1 4.03Å; F68-I114 HydrophobicContact CE1-CG1 4.42Å; F68-M117 HydrophobicContact CB-CE 3.65Å; F68-M117 HydrophobicContact CB-SD 3.34Å; F68-M117 WeakPolarHBondContact CB-SD 3.39Å; F68-M117 HydrophobicContact CD2-CE 4.02Å; F68-M117 HydrophobicContact CG-CE 4.06Å; F68-M117 HydrophobicContact CG-SD 4.13Å |
| 69 | H | 75.9 | Confident | 84.6 | Confident | 141 Ų | 141 | 70.6 Ų | 70.6 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.5 | 178.1 | -61.6 | 166.3 | 0 | 0 | 0 | 113 | R66 | R66-H69 WeakPolarHBondContact O-CB 3.09Å; R66-H69 PolarHBondContact O-N 3.29Å; R66-H69 VanDerWaalsContact O-N 3.11Å |
| 70 | S | 67.8 | Low | 84.6 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.1 | -177.5 | 46.8 | 0 | 0 | 0 | 0 | 114.3 | M67 F68 S72 | M67-S70 PolarHBondContact O-OG 3.24Å; M67-S70 VanDerWaalsContact O-OG 3.05Å; F68-S70 VanDerWaalsContact C-N 3.29Å; F68-S70 PolarHBondContact O-N 2.93Å; S70-S72 PolarHBondContact O-N 2.73Å |
| 71 | V | 70.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | trans | -82.4 | 112.3 | -170.9 | -174 | 0 | 0 | 0 | 0 | 110.9 | C80 L84 I114 | V71-C80 HydrophobicContact CG1-CB 4.43Å; V71-L84 HydrophobicContact CG2-CD1 4.37Å; V71-I114 HydrophobicContact CB-CG2 4.38Å; V71-I114 HydrophobicContact CG1-CD1 4.39Å; V71-I114 HydrophobicContact CG1-CG1 4.47Å; V71-I114 HydrophobicContact CG1-CG2 3.6Å; V71-I114 HydrophobicContact CG2-CD1 4.16Å; V71-I114 HydrophobicContact CG2-CG1 4.1Å | ||
| 72 | S | 67.8 | Low | 84.5 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | trans | -77.1 | 136.8 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | S70 K74 E75 | S70-S72 PolarHBondContact O-N 2.73Å; S72-K74 PolarHBondContact O-N 3.34Å; S72-K74 PolarHBondContact OG-N 3.48Å; S72-E75 PolarHBondContact O-N 3.08Å | ||
| 73 | N | 72.7 | Confident | 84.2 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -7.3 | 173.3 | -76 | -9.9 | 0 | 0 | 0 | 114.2 | Q118 | N73-Q118 PolarHBondContact OD1-NE2 3.21Š|
| 74 | K | 71.4 | Confident | 84.1 | Confident | 202 Ų | 202 | 65.6 Ų | 65.6 | 88% | 0.878 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -16 | -179.6 | -65.2 | -174.8 | 178.9 | 179.9 | 0 | 113.9 | S72 | S72-K74 PolarHBondContact O-N 3.34Å; S72-K74 PolarHBondContact OG-N 3.48Å |
| 75 | E | 76.1 | Confident | 84.1 | Confident | 110 Ų | 110 | 64.5 Ų | 64.5 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -92.8 | 153.3 | -177.4 | -67.3 | -176.7 | 167.9 | 0 | 0 | 111.2 | S72 V77 C80 | S72-E75 PolarHBondContact O-N 3.08Å; E75-V77 PolarHBondContact O-N 3.4Å; E75-C80 WeakPolarHBondContact CB-SG 3.35Å; E75-C80 PolarHBondContact OE2-SG 3.29Å |
| 76 | S | 89.7 | Confident | 84.2 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | trans | -60.9 | 120.5 | 168.4 | 168 | 0 | 0 | 0 | 0 | 109 | L78 D79 C80 | S76-L78 PolarHBondContact O-N 2.94Å; S76-D79 WeakPolarHBondContact CB-OD2 3.3Å; S76-D79 PolarHBondContact O-N 3.22Å; S76-D79 PolarHBondContact OG-N 2.88Å; S76-D79 PolarHBondContact OG-OD2 3.43Å; S76-C80 PolarHBondContact O-N 2.95Å; S76-C80 PolarHBondContact O-SG 3.4Å; S76-C80 VanDerWaalsContact O-SG 3.35Å | ||
| 77 | V | 92 | Very high | 84.3 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -33.4 | 179.3 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | E75 A81 Y111 I114 R115 Q118 | E75-V77 PolarHBondContact O-N 3.4Å; V77-A81 WeakPolarHBondContact O-CB 3.42Å; V77-A81 PolarHBondContact O-N 2.55Å; V77-Y111 HydrophobicContact CB-CD2 4.34Å; V77-Y111 HydrophobicContact CB-CE2 4.04Å; V77-Y111 HydrophobicContact CG1-CD2 3.63Å; V77-Y111 HydrophobicContact CG1-CE2 3.72Å; V77-Y111 HydrophobicContact CG1-CG 4.36Å; V77-I114 HydrophobicContact CB-CG2 4.34Å; V77-I114 HydrophobicContact CG1-CB 3.75Å; V77-I114 HydrophobicContact CG1-CD1 4.3Å; V77-I114 HydrophobicContact CG1-CG2 3.48Å; V77-I114 VanDerWaalsContact CG1-CG2 3.48Å; V77-I114 HydrophobicContact CG2-CG2 4.09Å; V77-R115 HydrophobicContact CG1-CG 3.96Å; V77-Q118 VanDerWaalsContact CG2-OE1 3.29Å |
| 78 | L | 92.6 | Very high | 84.5 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 176.9 | -178.1 | 57.5 | 0 | 0 | 0 | 111.6 | S76 A81 W82 Y111 I199 | S76-L78 PolarHBondContact O-N 2.94Å; L78-A81 PolarHBondContact O-N 2.8Å; L78-W82 PolarHBondContact O-N 3.29Å; L78-Y111 HydrophobicContact CB-CD2 4.48Å; L78-Y111 HydrophobicContact CB-CE2 4.31Å; L78-Y111 HydrophobicContact CD1-CD2 4.41Å; L78-I199 HydrophobicContact CD1-CB 4.43Å; L78-I199 HydrophobicContact CD1-CD1 3.84Å; L78-I199 HydrophobicContact CD1-CG1 3.72Å; L78-I199 HydrophobicContact CD1-CG2 4.04Å |
| 79 | D | 90.5 | Very high | 84.9 | Confident | 104 Ų | 104 | 65 Ų | 65 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.4 | -40 | -179.6 | -59 | -17.5 | 0 | 0 | 0 | 110.4 | S76 A81 W82 K83 | S76-D79 WeakPolarHBondContact CB-OD2 3.3Å; S76-D79 PolarHBondContact O-N 3.22Å; S76-D79 PolarHBondContact OG-N 2.88Å; S76-D79 PolarHBondContact OG-OD2 3.43Å; D79-A81 VanDerWaalsContact C-N 3.35Å; D79-A81 PolarHBondContact O-N 2.82Å; D79-W82 PolarHBondContact O-N 2.94Å; D79-K83 WeakPolarHBondContact O-CB 3.49Å; D79-K83 PolarHBondContact O-N 3.15Å |
| 80 | C | 91.2 | Very high | 85.6 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 171.6 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | V71 E75 S76 W82 K83 L84 I114 | V71-C80 HydrophobicContact CG1-CB 4.43Å; E75-C80 WeakPolarHBondContact CB-SG 3.35Å; E75-C80 PolarHBondContact OE2-SG 3.29Å; S76-C80 PolarHBondContact O-N 2.95Å; S76-C80 PolarHBondContact O-SG 3.4Å; S76-C80 VanDerWaalsContact O-SG 3.35Å; C80-W82 PolarHBondContact O-N 2.84Å; C80-K83 PolarHBondContact O-N 3.26Å; C80-L84 WeakPolarHBondContact O-CB 3.48Å; C80-L84 VanDerWaalsContact O-CG 3.27Å; C80-L84 WeakPolarHBondContact O-CG 3.44Å; C80-L84 PolarHBondContact O-N 3.17Å; C80-I114 HydrophobicContact CB-CD1 4.13Å |
| 81 | A | 93.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V77 L78 D79 K83 L84 V85 V110 Y111 I114 | V77-A81 WeakPolarHBondContact O-CB 3.42Å; V77-A81 PolarHBondContact O-N 2.55Å; L78-A81 PolarHBondContact O-N 2.8Å; D79-A81 VanDerWaalsContact C-N 3.35Å; D79-A81 PolarHBondContact O-N 2.82Å; A81-K83 PolarHBondContact O-N 3.49Å; A81-L84 PolarHBondContact O-N 3.39Å; A81-V85 WeakPolarHBondContact O-CB 3.31Å; A81-V85 WeakPolarHBondContact O-CG2 3.37Å; A81-V85 PolarHBondContact O-N 2.85Å; A81-V110 HydrophobicContact CB-CB 4.46Å; A81-V110 HydrophobicContact CB-CG1 4.04Å; A81-Y111 HydrophobicContact CB-CD2 4.48Å; A81-I114 HydrophobicContact CB-CD1 4.4Å |
| 82 | W | 92.9 | Very high | 86.9 | Confident | 10 Ų | 10 | 66 Ų | 66 | 4% | 0.038 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.7 | -82.9 | 121.5 | 0 | 0 | 0 | 113.2 | L78 D79 C80 V85 S86 Y93 L97 H98 I103 V104 C107 I199 | L78-W82 PolarHBondContact O-N 3.29Å; D79-W82 PolarHBondContact O-N 2.94Å; C80-W82 PolarHBondContact O-N 2.84Å; W82-V85 PolarHBondContact O-N 2.89Å; W82-S86 VanDerWaalsContact O-CB 3.3Å; W82-S86 WeakPolarHBondContact O-CB 3.2Å; W82-S86 PolarHBondContact O-N 3.06Å; W82-S86 PolarHBondContact O-OG 2.75Å; W82-Y93 HydrophobicContact CB-CD2 3.88Å; W82-Y93 HydrophobicContact CB-CE2 3.93Å; W82-Y93 HydrophobicContact CD2-CD2 4.14Å; W82-Y93 AromaticContact CD2-CE2 3.63Å; W82-Y93 HydrophobicContact CD2-CE2 3.63Å; W82-Y93 HydrophobicContact CE3-CD2 4.08Å; W82-Y93 AromaticContact CE3-CE2 3.87Å; W82-Y93 HydrophobicContact CE3-CE2 3.87Å; W82-Y93 HydrophobicContact CG-CD2 4.08Å; W82-Y93 AromaticContact CG-CE2 3.65Å; W82-Y93 HydrophobicContact CG-CE2 3.65Å; W82-L97 HydrophobicContact CZ3-CB 4.08Å; W82-H98 AromaticContact CE2-CE1 3.9Å; W82-H98 AromaticContact CE2-NE2 3.86Å; W82-H98 AromaticContact CZ2-CE1 3.3Å; W82-H98 WeakPolarHBondContact CZ2-CE1 3.47Å; W82-H98 AromaticContact CZ2-ND1 3.79Å; W82-H98 AromaticContact CZ2-NE2 3.52Å; W82-I103 HydrophobicContact CZ3-CG2 3.97Å; W82-V104 HydrophobicContact CH2-CG2 4.18Å; W82-C107 HydrophobicContact CD2-CB 4.38Å; W82-C107 HydrophobicContact CE3-CB 4.15Å; W82-C107 HydrophobicContact CH2-CB 3.97Å; W82-C107 HydrophobicContact CZ2-CB 4.19Å; W82-C107 HydrophobicContact CZ3-CB 3.96Å; W82-I199 HydrophobicContact CZ2-CG2 3.98Å |
| 83 | K | 90.4 | Very high | 87.5 | Confident | 128 Ų | 128 | 69.1 Ų | 69.1 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.6 | -51.5 | 175.7 | -178.9 | -178.4 | 175.5 | -175.5 | 0 | 111.3 | D79 C80 A81 V85 S86 D87 | D79-K83 WeakPolarHBondContact O-CB 3.49Å; D79-K83 PolarHBondContact O-N 3.15Å; C80-K83 PolarHBondContact O-N 3.26Å; A81-K83 PolarHBondContact O-N 3.49Å; K83-V85 VanDerWaalsContact C-N 3.3Å; K83-V85 PolarHBondContact O-N 2.97Å; K83-S86 WeakPolarHBondContact O-CB 3.46Å; K83-S86 PolarHBondContact O-N 3.4Å; K83-S86 VanDerWaalsContact O-N 3.13Å; K83-D87 PolarHBondContact O-N 2.9Å |
| 84 | L | 91.5 | Very high | 88 | Confident | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 179.6 | -75.4 | -179.6 | 0 | 0 | 0 | 112.6 | M67 V71 C80 A81 L88 V110 I114 | M67-L84 HydrophobicContact CB-CD1 4.46Å; M67-L84 HydrophobicContact CB-CD2 4.24Å; M67-L84 HydrophobicContact CE-CB 3.54Å; M67-L84 HydrophobicContact CE-CD1 4.36Å; M67-L84 HydrophobicContact CE-CD2 3.65Å; M67-L84 HydrophobicContact CE-CG 4.01Å; M67-L84 WeakPolarHBondContact CE-O 3.25Å; M67-L84 HydrophobicContact CG-CD2 4.47Å; V71-L84 HydrophobicContact CG2-CD1 4.37Å; C80-L84 WeakPolarHBondContact O-CB 3.48Å; C80-L84 VanDerWaalsContact O-CG 3.27Å; C80-L84 WeakPolarHBondContact O-CG 3.44Å; C80-L84 PolarHBondContact O-N 3.17Å; A81-L84 PolarHBondContact O-N 3.39Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.47Å; L84-V110 HydrophobicContact CB-CG1 4.1Å; L84-V110 HydrophobicContact CD1-CG1 3.9Å; L84-I114 HydrophobicContact CD1-CD1 4.14Å |
| 85 | V | 93.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 175.1 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | A81 W82 K83 D87 L88 F89 I103 T106 C107 V110 | A81-V85 WeakPolarHBondContact O-CB 3.31Å; A81-V85 WeakPolarHBondContact O-CG2 3.37Å; A81-V85 PolarHBondContact O-N 2.85Å; W82-V85 PolarHBondContact O-N 2.89Å; K83-V85 VanDerWaalsContact C-N 3.3Å; K83-V85 PolarHBondContact O-N 2.97Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.48Å; V85-L88 WeakPolarHBondContact O-CB 3.27Å; V85-L88 PolarHBondContact O-N 3.4Å; V85-L88 VanDerWaalsContact O-N 3.16Å; V85-F89 HydrophobicContact CG1-CD2 3.76Å; V85-F89 HydrophobicContact CG1-CE2 3.97Å; V85-F89 WeakPolarHBondContact O-CD2 3.01Å; V85-F89 PolarHBondContact O-N 2.99Å; V85-I103 HydrophobicContact CG1-CG2 3.64Å; V85-T106 HydrophobicContact CG2-CG2 4.04Å; V85-C107 HydrophobicContact CG2-CB 4.07Å; V85-V110 HydrophobicContact CG2-CB 4.21Å; V85-V110 HydrophobicContact CG2-CG2 3.8Å |
| 86 | S | 91.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | W82 K83 L88 F89 D90 C91 | W82-S86 VanDerWaalsContact O-CB 3.3Å; W82-S86 WeakPolarHBondContact O-CB 3.2Å; W82-S86 PolarHBondContact O-N 3.06Å; W82-S86 PolarHBondContact O-OG 2.75Å; K83-S86 WeakPolarHBondContact O-CB 3.46Å; K83-S86 PolarHBondContact O-N 3.4Å; K83-S86 VanDerWaalsContact O-N 3.13Å; S86-L88 VanDerWaalsContact C-N 3.35Å; S86-L88 PolarHBondContact O-N 2.96Å; S86-F89 PolarHBondContact O-N 3.08Å; S86-D90 PolarHBondContact O-N 3.35Å; S86-D90 VanDerWaalsContact O-N 3.14Å; S86-C91 CarbonylContact C-O 3.39Å; S86-C91 VanDerWaalsContact CB-O 3.24Å; S86-C91 WeakPolarHBondContact CB-O 3.11Å; S86-C91 PolarHBondContact O-N 2.83Å; S86-C91 VanDerWaalsContact O-O 3.06Å |
| 87 | D | 89.5 | Confident | 88.3 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 174.5 | -64.6 | -21 | 0 | 0 | 0 | 111.7 | K83 V85 F89 D90 | K83-D87 PolarHBondContact O-N 2.9Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.48Å; D87-F89 VanDerWaalsContact C-N 3.33Å; D87-F89 PolarHBondContact O-N 2.7Å; D87-D90 PolarHBondContact O-N 2.79Å |
| 88 | L | 91.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.277 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 179.6 | -179.5 | 61.1 | 0 | 0 | 0 | 113.2 | I61 H62 I63 L84 V85 S86 T106 | I61-L88 HydrophobicContact CG2-CD2 3.62Å; I61-L88 HydrophobicContact CG2-CG 4.49Å; H62-L88 WeakPolarHBondContact O-CD1 3.45Å; I63-L88 HydrophobicContact CG1-CD2 4.09Å; L84-L88 WeakPolarHBondContact O-CB 3.28Å; L84-L88 PolarHBondContact O-N 3.47Å; V85-L88 WeakPolarHBondContact O-CB 3.27Å; V85-L88 PolarHBondContact O-N 3.4Å; V85-L88 VanDerWaalsContact O-N 3.16Å; S86-L88 VanDerWaalsContact C-N 3.35Å; S86-L88 PolarHBondContact O-N 2.96Å; L88-T106 HydrophobicContact CD2-CG2 4Å |
| 89 | F | 90.8 | Very high | 87.4 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 26% | 0.263 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9.4 | 178.8 | -77.6 | -91.1 | 0 | 0 | 0 | 113.2 | I61 V85 S86 D87 C91 I102 I103 T106 | I61-F89 HydrophobicContact CD1-CE1 3.97Å; I61-F89 HydrophobicContact CD1-CZ 3.65Å; I61-F89 HydrophobicContact CG1-CZ 4.37Å; V85-F89 HydrophobicContact CG1-CD2 3.76Å; V85-F89 HydrophobicContact CG1-CE2 3.97Å; V85-F89 WeakPolarHBondContact O-CD2 3.01Å; V85-F89 PolarHBondContact O-N 2.99Å; S86-F89 PolarHBondContact O-N 3.08Å; D87-F89 VanDerWaalsContact C-N 3.33Å; D87-F89 PolarHBondContact O-N 2.7Å; F89-C91 PolarHBondContact O-N 2.9Å; F89-I102 HydrophobicContact CZ-CG1 4.41Å; F89-I103 HydrophobicContact CD1-CD1 4.38Å; F89-I103 HydrophobicContact CD1-CG1 4.11Å; F89-I103 HydrophobicContact CD2-CG1 4.32Å; F89-I103 HydrophobicContact CE1-CG1 3.99Å; F89-I103 HydrophobicContact CE2-CG1 4.2Å; F89-I103 HydrophobicContact CG-CD1 4.49Å; F89-I103 HydrophobicContact CG-CG1 4.27Å; F89-I103 HydrophobicContact CZ-CG1 4.04Å; F89-T106 HydrophobicContact CE2-CG2 4.05Å |
| 90 | D | 89.7 | Confident | 87.4 | Confident | 157 Ų | 157 | 64 Ų | 64 | 84% | 0.84 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 44.3 | -177 | -163.7 | 28.1 | 0 | 0 | 0 | 112.8 | S86 D87 | S86-D90 PolarHBondContact O-N 3.35Å; S86-D90 VanDerWaalsContact O-N 3.14Å; D87-D90 PolarHBondContact O-N 2.79Å |
| 91 | C | 84.7 | Confident | 87.3 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 28% | 0.284 | 35% | 0.352 | S | S | . | . | trans | -133.3 | 152.8 | 179.9 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | S86 F89 | S86-C91 CarbonylContact C-O 3.39Å; S86-C91 VanDerWaalsContact CB-O 3.24Å; S86-C91 WeakPolarHBondContact CB-O 3.11Å; S86-C91 PolarHBondContact O-N 2.83Å; S86-C91 VanDerWaalsContact O-O 3.06Å; F89-C91 PolarHBondContact O-N 2.9Å | ||
| 92 | A | 81.2 | Confident | 87.3 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 67% | 0.669 | 36% | 0.359 | S | S | * | . | trans | -75.4 | 143.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | H94 | A92-H94 PolarHBondContact O-N 3.38Å; A92-H94 PolarHBondContact O-ND1 3.27Å | ||
| 93 | Y | 81.8 | Confident | 87.3 | Confident | 116 Ų | 116 | 68.2 Ų | 68.2 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | trans | -59.3 | 131.6 | 172.3 | 177.8 | -96.4 | 0 | 0 | 0 | 110.8 | W82 L97 | W82-Y93 HydrophobicContact CB-CD2 3.88Å; W82-Y93 HydrophobicContact CB-CE2 3.93Å; W82-Y93 HydrophobicContact CD2-CD2 4.14Å; W82-Y93 AromaticContact CD2-CE2 3.63Å; W82-Y93 HydrophobicContact CD2-CE2 3.63Å; W82-Y93 HydrophobicContact CE3-CD2 4.08Å; W82-Y93 AromaticContact CE3-CE2 3.87Å; W82-Y93 HydrophobicContact CE3-CE2 3.87Å; W82-Y93 HydrophobicContact CG-CD2 4.08Å; W82-Y93 AromaticContact CG-CE2 3.65Å; W82-Y93 HydrophobicContact CG-CE2 3.65Å; Y93-L97 HydrophobicContact CD2-CD1 4Å | ||
| 94 | H | 82.4 | Confident | 87.5 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 40% | 0.403 | 34% | 0.337 | S | S | . | . | trans | -155.7 | 153.7 | 174.1 | 60.2 | -62.5 | 0 | 0 | 0 | 109.7 | A92 S96 L97 | A92-H94 PolarHBondContact O-N 3.38Å; A92-H94 PolarHBondContact O-ND1 3.27Å; H94-S96 VanDerWaalsContact C-N 3.26Å; H94-S96 PolarHBondContact CD2-OG 3.14Å; H94-S96 PolarHBondContact NE2-OG 3.18Å; H94-S96 PolarHBondContact O-N 3.2Å; H94-S96 VanDerWaalsContact O-N 3.16Å; H94-L97 WeakPolarHBondContact CE1-CD2 3.31Å; H94-L97 WeakPolarHBondContact ND1-CG 3.27Å; H94-L97 VanDerWaalsContact O-CB 3.32Å; H94-L97 WeakPolarHBondContact O-CB 3.13Å; H94-L97 VanDerWaalsContact O-CG 3.31Å; H94-L97 WeakPolarHBondContact O-CG 3.5Å; H94-L97 PolarHBondContact O-N 3.39Å | ||
| 95 | E | 79.8 | Confident | 87.6 | Confident | 164 Ų | 164 | 62 Ų | 62 | 77% | 0.766 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -59.9 | -30.9 | -170.4 | -71.5 | -176 | 168.5 | 0 | 0 | 113.9 | L97 H98 | E95-L97 PolarHBondContact O-N 2.9Å; E95-L97 VanDerWaalsContact O-N 3.16Å; E95-H98 WeakPolarHBondContact O-CB 3.5Å; E95-H98 PolarHBondContact O-CD2 3.43Å; E95-H98 VanDerWaalsContact O-CD2 3.28Å; E95-H98 PolarHBondContact O-N 2.78Å; E95-H98 VanDerWaalsContact O-N 3.12Å |
| 96 | S | 81.4 | Confident | 87.8 | Confident | 60 Ų | 60 | 62 Ų | 62 | 42% | 0.42 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -71.1 | -6 | 178.1 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | H94 H98 D99 | H94-S96 VanDerWaalsContact C-N 3.26Å; H94-S96 PolarHBondContact CD2-OG 3.14Å; H94-S96 PolarHBondContact NE2-OG 3.18Å; H94-S96 PolarHBondContact O-N 3.2Å; H94-S96 VanDerWaalsContact O-N 3.16Å; S96-H98 PolarHBondContact O-N 3.36Å; S96-D99 WeakPolarHBondContact O-CB 3.42Å; S96-D99 PolarHBondContact O-N 2.87Å |
| 97 | L | 82.3 | Confident | 88 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -58.8 | -27.7 | 166.8 | -68.9 | -179.7 | 0 | 0 | 0 | 111.8 | W82 Y93 H94 E95 D99 S100 I103 | W82-L97 HydrophobicContact CZ3-CB 4.08Å; Y93-L97 HydrophobicContact CD2-CD1 4Å; H94-L97 WeakPolarHBondContact CE1-CD2 3.31Å; H94-L97 WeakPolarHBondContact ND1-CG 3.27Å; H94-L97 VanDerWaalsContact O-CB 3.32Å; H94-L97 WeakPolarHBondContact O-CB 3.13Å; H94-L97 VanDerWaalsContact O-CG 3.31Å; H94-L97 WeakPolarHBondContact O-CG 3.5Å; H94-L97 PolarHBondContact O-N 3.39Å; E95-L97 PolarHBondContact O-N 2.9Å; E95-L97 VanDerWaalsContact O-N 3.16Å; L97-D99 PolarHBondContact O-N 3.35Å; L97-S100 PolarHBondContact O-N 3.44Å; L97-I103 HydrophobicContact CB-CG2 4.23Å; L97-I103 HydrophobicContact CD2-CD1 3.68Å; L97-I103 HydrophobicContact CD2-CG2 4.31Å |
| 98 | H | 83.1 | Confident | 88.3 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -64.6 | -19.1 | 174.2 | -73.1 | -96.3 | 0 | 0 | 0 | 113.5 | W82 E95 S96 S100 V104 | W82-H98 AromaticContact CE2-CE1 3.9Å; W82-H98 AromaticContact CE2-NE2 3.86Å; W82-H98 AromaticContact CZ2-CE1 3.3Å; W82-H98 WeakPolarHBondContact CZ2-CE1 3.47Å; W82-H98 AromaticContact CZ2-ND1 3.79Å; W82-H98 AromaticContact CZ2-NE2 3.52Å; E95-H98 WeakPolarHBondContact O-CB 3.5Å; E95-H98 PolarHBondContact O-CD2 3.43Å; E95-H98 VanDerWaalsContact O-CD2 3.28Å; E95-H98 PolarHBondContact O-N 2.78Å; E95-H98 VanDerWaalsContact O-N 3.12Å; S96-H98 PolarHBondContact O-N 3.36Å; H98-S100 VanDerWaalsContact C-N 3.33Å; H98-V104 WeakPolarHBondContact O-CG2 3.32Å |
| 99 | D | 83.3 | Confident | 88.6 | Confident | 132 Ų | 132 | 54.2 Ų | 54.2 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -81.7 | -16.7 | 178 | -60 | -39.9 | 0 | 0 | 0 | 112.2 | S96 L97 P101 | S96-D99 WeakPolarHBondContact O-CB 3.42Å; S96-D99 PolarHBondContact O-N 2.87Å; L97-D99 PolarHBondContact O-N 3.35Å; D99-P101 VanDerWaalsContact O-CD 3.29Å; D99-P101 WeakPolarHBondContact O-CD 3.47Å |
| 100 | S | 89.7 | Confident | 88.8 | Confident | 34 Ų | 34 | 51.4 Ų | 51.4 | 24% | 0.238 | 28% | 0.281 | C | S | . | . | trans | -89.6 | 109.9 | 179.7 | 178 | 0 | 0 | 0 | 0 | 110.9 | L97 H98 I102 I103 V104 | L97-S100 PolarHBondContact O-N 3.44Å; H98-S100 VanDerWaalsContact C-N 3.33Å; S100-I102 VanDerWaalsContact C-N 3.28Å; S100-I102 PolarHBondContact O-N 3.49Å; S100-I102 WeakPolarHBondContact OG-CG2 3.37Å; S100-I103 PolarHBondContact O-N 2.61Å; S100-I103 WeakPolarHBondContact OG-CG1 3.13Å; S100-V104 WeakPolarHBondContact O-CG2 3.34Å; S100-V104 PolarHBondContact O-N 3.38Å | ||
| 101 | P | 89.7 | Confident | 89.1 | Confident | 60 Ų | 60 | 44.9 Ų | 44.9 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -30.2 | -173.5 | -17.4 | 30.1 | 0 | 0 | 0 | 113.4 | L56 D99 S105 | L56-P101 HydrophobicContact CD1-CB 4.29Å; L56-P101 HydrophobicContact CD2-CB 3.98Å; D99-P101 VanDerWaalsContact O-CD 3.29Å; D99-P101 WeakPolarHBondContact O-CD 3.47Å; P101-S105 WeakPolarHBondContact O-CB 3.49Å; P101-S105 PolarHBondContact O-N 3.33Å; P101-S105 PolarHBondContact O-OG 2.98Å; P101-S105 VanDerWaalsContact O-OG 3.07Å |
| 102 | I | 92.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 43 Ų | 43 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70 | -40.8 | 176.1 | -172.4 | 165.6 | 0 | 0 | 0 | 111.7 | F53 L56 S57 I61 F89 S100 S105 T106 | F53-I102 HydrophobicContact CD2-CD1 4.32Å; F53-I102 HydrophobicContact CD2-CG1 4.03Å; F53-I102 HydrophobicContact CE2-CG1 4.38Å; L56-I102 HydrophobicContact CD1-CB 4.35Å; S57-I102 VanDerWaalsContact CB-CD1 3.45Å; I61-I102 HydrophobicContact CD1-CD1 4.07Å; I61-I102 HydrophobicContact CG1-CD1 4.18Å; I61-I102 HydrophobicContact CG1-CG1 4.45Å; F89-I102 HydrophobicContact CZ-CG1 4.41Å; S100-I102 VanDerWaalsContact C-N 3.28Å; S100-I102 PolarHBondContact O-N 3.49Å; S100-I102 WeakPolarHBondContact OG-CG2 3.37Å; I102-S105 PolarHBondContact O-N 3.33Å; I102-T106 WeakPolarHBondContact O-CB 3.46Å; I102-T106 PolarHBondContact O-N 2.83Å; I102-T106 PolarHBondContact O-OG1 3.46Å |
| 103 | I | 93.8 | Very high | 90.3 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -46 | 179.5 | -62.9 | 179.6 | 0 | 0 | 0 | 109.5 | W82 V85 F89 L97 S100 S105 T106 C107 | W82-I103 HydrophobicContact CZ3-CG2 3.97Å; V85-I103 HydrophobicContact CG1-CG2 3.64Å; F89-I103 HydrophobicContact CD1-CD1 4.38Å; F89-I103 HydrophobicContact CD1-CG1 4.11Å; F89-I103 HydrophobicContact CD2-CG1 4.32Å; F89-I103 HydrophobicContact CE1-CG1 3.99Å; F89-I103 HydrophobicContact CE2-CG1 4.2Å; F89-I103 HydrophobicContact CG-CD1 4.49Å; F89-I103 HydrophobicContact CG-CG1 4.27Å; F89-I103 HydrophobicContact CZ-CG1 4.04Å; L97-I103 HydrophobicContact CB-CG2 4.23Å; L97-I103 HydrophobicContact CD2-CD1 3.68Å; L97-I103 HydrophobicContact CD2-CG2 4.31Å; S100-I103 PolarHBondContact O-N 2.61Å; S100-I103 WeakPolarHBondContact OG-CG1 3.13Å; I103-S105 PolarHBondContact O-N 3.36Å; I103-T106 PolarHBondContact O-N 3.45Å; I103-C107 WeakPolarHBondContact O-CB 3.5Å; I103-C107 PolarHBondContact O-N 3.23Å |
| 104 | V | 93.6 | Very high | 90.8 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -47.4 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | W82 H98 S100 T106 C107 V108 I200 | W82-V104 HydrophobicContact CH2-CG2 4.18Å; H98-V104 WeakPolarHBondContact O-CG2 3.32Å; S100-V104 WeakPolarHBondContact O-CG2 3.34Å; S100-V104 PolarHBondContact O-N 3.38Å; V104-T106 VanDerWaalsContact C-N 3.29Å; V104-T106 PolarHBondContact O-N 2.96Å; V104-C107 WeakPolarHBondContact O-CB 3.07Å; V104-C107 PolarHBondContact O-N 2.87Å; V104-V108 WeakPolarHBondContact O-CG2 3.21Å; V104-V108 PolarHBondContact O-N 2.92Å; V104-I200 HydrophobicContact CG1-CB 4.24Å; V104-I200 HydrophobicContact CG1-CG1 3.88Å; V104-I200 HydrophobicContact CG1-CG2 4.28Å |
| 105 | S | 95.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 177 | -75.1 | 0 | 0 | 0 | 0 | 112.1 | P101 I102 I103 V108 M109 | P101-S105 WeakPolarHBondContact O-CB 3.49Å; P101-S105 PolarHBondContact O-N 3.33Å; P101-S105 PolarHBondContact O-OG 2.98Å; P101-S105 VanDerWaalsContact O-OG 3.07Å; I102-S105 PolarHBondContact O-N 3.33Å; I103-S105 PolarHBondContact O-N 3.36Å; S105-V108 PolarHBondContact O-N 2.82Å; S105-M109 WeakPolarHBondContact O-CG 3.45Å; S105-M109 PolarHBondContact O-N 2.88Å; S105-M109 VanDerWaalsContact O-N 3.07Å |
| 106 | T | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 174.7 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | I61 I63 V85 L88 F89 I102 I103 V104 V108 M109 V110 | I61-T106 HydrophobicContact CG2-CG2 4.01Å; I63-T106 HydrophobicContact CD1-CG2 4.17Å; V85-T106 HydrophobicContact CG2-CG2 4.04Å; L88-T106 HydrophobicContact CD2-CG2 4Å; F89-T106 HydrophobicContact CE2-CG2 4.05Å; I102-T106 WeakPolarHBondContact O-CB 3.46Å; I102-T106 PolarHBondContact O-N 2.83Å; I102-T106 PolarHBondContact O-OG1 3.46Å; I103-T106 PolarHBondContact O-N 3.45Å; V104-T106 VanDerWaalsContact C-N 3.29Å; V104-T106 PolarHBondContact O-N 2.96Å; T106-V108 VanDerWaalsContact C-N 3.35Å; T106-V108 PolarHBondContact O-N 2.67Å; T106-M109 WeakPolarHBondContact O-CB 3.3Å; T106-M109 PolarHBondContact O-N 3.11Å; T106-M109 VanDerWaalsContact O-N 3.15Å; T106-V110 HydrophobicContact CG2-CG2 4.46Å; T106-V110 WeakPolarHBondContact O-CG2 3.45Å; T106-V110 PolarHBondContact O-N 3.36Å |
| 107 | C | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 112 | W82 V85 I103 V104 M109 V110 Y111 | W82-C107 HydrophobicContact CD2-CB 4.38Å; W82-C107 HydrophobicContact CE3-CB 4.15Å; W82-C107 HydrophobicContact CH2-CB 3.97Å; W82-C107 HydrophobicContact CZ2-CB 4.19Å; W82-C107 HydrophobicContact CZ3-CB 3.96Å; V85-C107 HydrophobicContact CG2-CB 4.07Å; I103-C107 WeakPolarHBondContact O-CB 3.5Å; I103-C107 PolarHBondContact O-N 3.23Å; V104-C107 WeakPolarHBondContact O-CB 3.07Å; V104-C107 PolarHBondContact O-N 2.87Å; C107-M109 VanDerWaalsContact C-N 3.35Å; C107-M109 PolarHBondContact O-N 2.87Å; C107-V110 PolarHBondContact O-N 3.18Å; C107-Y111 WeakPolarHBondContact O-CB 3.38Å; C107-Y111 PolarHBondContact O-N 2.82Å |
| 108 | V | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 172.4 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | V104 S105 T106 Y111 L112 F158 A196 I199 I200 | V104-V108 WeakPolarHBondContact O-CG2 3.21Å; V104-V108 PolarHBondContact O-N 2.92Å; S105-V108 PolarHBondContact O-N 2.82Å; T106-V108 VanDerWaalsContact C-N 3.35Å; T106-V108 PolarHBondContact O-N 2.67Å; V108-Y111 PolarHBondContact O-N 3.47Å; V108-L112 HydrophobicContact CG1-CD1 3.74Å; V108-L112 HydrophobicContact CG1-CG 4.35Å; V108-L112 WeakPolarHBondContact O-CB 3.23Å; V108-L112 VanDerWaalsContact O-CG 3.24Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 2.86Å; V108-F158 HydrophobicContact CB-CE1 4Å; V108-F158 HydrophobicContact CG1-CD1 4.35Å; V108-F158 HydrophobicContact CG1-CE1 3.68Å; V108-A196 HydrophobicContact CG1-CB 3.73Å; V108-I199 HydrophobicContact CG2-CB 4.1Å; V108-I199 HydrophobicContact CG2-CD1 4.44Å; V108-I199 HydrophobicContact CG2-CG2 4.25Å; V108-I200 HydrophobicContact CG2-CD1 4.09Å; V108-I200 HydrophobicContact CG2-CG1 3.73Å |
| 109 | M | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -50 | 177.6 | -68.3 | -63.6 | -73.5 | 0 | 0 | 111.5 | F37 I51 F53 S105 T106 C107 Y111 L112 F113 F158 A162 I166 | F37-M109 HydrophobicContact CE1-CE 3.98Å; F37-M109 HydrophobicContact CE1-SD 3.79Å; F37-M109 HydrophobicContact CZ-SD 4.38Å; I51-M109 HydrophobicContact CD1-CB 4.22Å; I51-M109 HydrophobicContact CD1-CE 3.89Å; I51-M109 HydrophobicContact CD1-CG 4.22Å; F53-M109 HydrophobicContact CZ-CG 4.34Å; S105-M109 WeakPolarHBondContact O-CG 3.45Å; S105-M109 PolarHBondContact O-N 2.88Å; S105-M109 VanDerWaalsContact O-N 3.07Å; T106-M109 WeakPolarHBondContact O-CB 3.3Å; T106-M109 PolarHBondContact O-N 3.11Å; T106-M109 VanDerWaalsContact O-N 3.15Å; C107-M109 VanDerWaalsContact C-N 3.35Å; C107-M109 PolarHBondContact O-N 2.87Å; M109-Y111 PolarHBondContact O-N 2.84Å; M109-L112 PolarHBondContact O-N 2.82Å; M109-F113 HydrophobicContact CE-CE2 4.3Å; M109-F113 WeakPolarHBondContact O-CD2 3.35Å; M109-F113 PolarHBondContact O-N 3.5Å; M109-F158 HydrophobicContact CG-CZ 4.33Å; M109-F158 HydrophobicContact SD-CZ 4.35Å; M109-A162 HydrophobicContact SD-CB 3.65Å; M109-I166 HydrophobicContact CE-CD1 3.97Å; M109-I166 HydrophobicContact CE-CG1 4.29Å; M109-I166 HydrophobicContact SD-CD1 4Å |
| 110 | V | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 178.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I63 F68 A81 L84 V85 T106 C107 L112 F113 I114 | I63-V110 HydrophobicContact CD1-CG2 3.93Å; F68-V110 HydrophobicContact CE1-CG1 4.24Å; A81-V110 HydrophobicContact CB-CB 4.46Å; A81-V110 HydrophobicContact CB-CG1 4.04Å; L84-V110 HydrophobicContact CB-CG1 4.1Å; L84-V110 HydrophobicContact CD1-CG1 3.9Å; V85-V110 HydrophobicContact CG2-CB 4.21Å; V85-V110 HydrophobicContact CG2-CG2 3.8Å; T106-V110 HydrophobicContact CG2-CG2 4.46Å; T106-V110 WeakPolarHBondContact O-CG2 3.45Å; T106-V110 PolarHBondContact O-N 3.36Å; C107-V110 PolarHBondContact O-N 3.18Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.14Å; V110-F113 PolarHBondContact O-N 2.82Å; V110-I114 HydrophobicContact CG1-CD1 4.04Å; V110-I114 WeakPolarHBondContact O-CG1 3.3Å; V110-I114 PolarHBondContact O-N 3.45Å |
| 111 | Y | 95.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.1 | -49.2 | 176.7 | 175.1 | -91 | 0 | 0 | 0 | 111.7 | V77 L78 A81 C107 V108 M109 F113 I114 R115 D195 I199 | V77-Y111 HydrophobicContact CB-CD2 4.34Å; V77-Y111 HydrophobicContact CB-CE2 4.04Å; V77-Y111 HydrophobicContact CG1-CD2 3.63Å; V77-Y111 HydrophobicContact CG1-CE2 3.72Å; V77-Y111 HydrophobicContact CG1-CG 4.36Å; L78-Y111 HydrophobicContact CB-CD2 4.48Å; L78-Y111 HydrophobicContact CB-CE2 4.31Å; L78-Y111 HydrophobicContact CD1-CD2 4.41Å; A81-Y111 HydrophobicContact CB-CD2 4.48Å; C107-Y111 WeakPolarHBondContact O-CB 3.38Å; C107-Y111 PolarHBondContact O-N 2.82Å; V108-Y111 PolarHBondContact O-N 3.47Å; M109-Y111 PolarHBondContact O-N 2.84Å; Y111-F113 PolarHBondContact O-N 3.01Å; Y111-I114 PolarHBondContact O-N 3.48Å; Y111-R115 HydrophobicContact CD1-CG 4.05Å; Y111-R115 HydrophobicContact CE1-CG 3.61Å; Y111-R115 HydrophobicContact CE2-CG 4.31Å; Y111-R115 WeakPolarHBondContact O-CG 3.43Å; Y111-R115 PolarHBondContact O-N 3.18Å; Y111-R115 PolarHBondContact OH-NH1 2.85Å; Y111-D195 HydrophobicContact CE1-CB 4.08Å; Y111-I199 HydrophobicContact CD1-CD1 3.63Å; Y111-I199 HydrophobicContact CD2-CD1 3.62Å; Y111-I199 HydrophobicContact CE1-CD1 4.18Å; Y111-I199 HydrophobicContact CE2-CD1 4.17Å; Y111-I199 HydrophobicContact CG-CD1 3.33Å |
| 112 | L | 96.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | -179.2 | -73.3 | 172.2 | 0 | 0 | 0 | 111.8 | V108 M109 V110 R115 A116 A162 T163 I166 L192 A196 | V108-L112 HydrophobicContact CG1-CD1 3.74Å; V108-L112 HydrophobicContact CG1-CG 4.35Å; V108-L112 WeakPolarHBondContact O-CB 3.23Å; V108-L112 VanDerWaalsContact O-CG 3.24Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 2.86Å; M109-L112 PolarHBondContact O-N 2.82Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.14Å; L112-R115 PolarHBondContact O-N 3.46Å; L112-A116 VanDerWaalsContact O-CB 3.22Å; L112-A116 WeakPolarHBondContact O-CB 3.29Å; L112-A116 PolarHBondContact O-N 3.09Å; L112-A162 HydrophobicContact CD1-CB 3.67Å; L112-T163 WeakPolarHBondContact CD2-OG1 3.21Å; L112-I166 HydrophobicContact CB-CD1 3.38Å; L112-I166 HydrophobicContact CB-CG2 4.49Å; L112-I166 HydrophobicContact CD1-CD1 4.15Å; L112-I166 HydrophobicContact CG-CD1 4.43Å; L112-L192 HydrophobicContact CD2-CB 4.02Å; L112-A196 HydrophobicContact CD1-CB 4.26Å; L112-A196 HydrophobicContact CD2-CB 4.18Å; L112-A196 HydrophobicContact CG-CB 4.29Å |
| 113 | F | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 172.8 | -87.8 | -67.2 | 0 | 0 | 0 | 111.4 | I49 F68 M109 V110 Y111 R115 A116 M117 L132 I166 L169 T170 | I49-F113 HydrophobicContact CD1-CD1 4.41Å; I49-F113 HydrophobicContact CD1-CE1 3.71Å; I49-F113 HydrophobicContact CD1-CE2 3.97Å; I49-F113 HydrophobicContact CD1-CZ 3.46Å; I49-F113 VanDerWaalsContact CD1-CZ 3.46Å; I49-F113 HydrophobicContact CG2-CZ 4.44Å; F68-F113 HydrophobicContact CD1-CB 4Å; F68-F113 HydrophobicContact CE1-CB 3.38Å; F68-F113 HydrophobicContact CE1-CD2 4.45Å; F68-F113 HydrophobicContact CE1-CG 4.11Å; F68-F113 HydrophobicContact CE2-CB 4.22Å; F68-F113 HydrophobicContact CE2-CD2 4.48Å; F68-F113 HydrophobicContact CE2-CG 4.18Å; F68-F113 HydrophobicContact CZ-CB 3.51Å; F68-F113 HydrophobicContact CZ-CD1 4.44Å; F68-F113 AromaticContact CZ-CD2 3.82Å; F68-F113 HydrophobicContact CZ-CD2 3.82Å; F68-F113 AromaticContact CZ-CG 3.69Å; F68-F113 HydrophobicContact CZ-CG 3.69Å; M109-F113 HydrophobicContact CE-CE2 4.3Å; M109-F113 WeakPolarHBondContact O-CD2 3.35Å; M109-F113 PolarHBondContact O-N 3.5Å; V110-F113 PolarHBondContact O-N 2.82Å; Y111-F113 PolarHBondContact O-N 3.01Å; F113-R115 PolarHBondContact O-N 3.38Å; F113-A116 PolarHBondContact O-N 2.87Å; F113-M117 VanDerWaalsContact O-CG 3.32Å; F113-M117 WeakPolarHBondContact O-CG 3.3Å; F113-M117 PolarHBondContact O-N 3.19Å; F113-L132 HydrophobicContact CD1-CD1 4.34Å; F113-L132 HydrophobicContact CE1-CD1 4.15Å; F113-I166 HydrophobicContact CD1-CG1 4.33Å; F113-I166 HydrophobicContact CD1-CG2 3.73Å; F113-I166 HydrophobicContact CD2-CD1 3.9Å; F113-I166 HydrophobicContact CD2-CG1 4.18Å; F113-I166 HydrophobicContact CE1-CG1 4.07Å; F113-I166 HydrophobicContact CE1-CG2 4.05Å; F113-I166 HydrophobicContact CE2-CD1 3.97Å; F113-I166 HydrophobicContact CE2-CG1 3.91Å; F113-I166 HydrophobicContact CG-CD1 4.27Å; F113-I166 HydrophobicContact CG-CG1 4.37Å; F113-I166 HydrophobicContact CG-CG2 4.07Å; F113-I166 HydrophobicContact CZ-CD1 4.41Å; F113-I166 HydrophobicContact CZ-CG1 3.84Å; F113-L169 HydrophobicContact CE1-CB 4.47Å; F113-L169 HydrophobicContact CE1-CD1 4.38Å; F113-L169 HydrophobicContact CZ-CD1 4.06Å; F113-T170 HydrophobicContact CD1-CG2 4.04Å; F113-T170 HydrophobicContact CE1-CG2 4.37Å |
| 114 | I | 92.5 | Very high | 84.6 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -50.4 | 177.8 | -63.2 | 169.2 | 0 | 0 | 0 | 110.6 | F68 V71 V77 C80 A81 L84 V110 Y111 A116 M117 Q118 | F68-I114 HydrophobicContact CD1-CG1 4.03Å; F68-I114 HydrophobicContact CE1-CG1 4.42Å; V71-I114 HydrophobicContact CB-CG2 4.38Å; V71-I114 HydrophobicContact CG1-CD1 4.39Å; V71-I114 HydrophobicContact CG1-CG1 4.47Å; V71-I114 HydrophobicContact CG1-CG2 3.6Å; V71-I114 HydrophobicContact CG2-CD1 4.16Å; V71-I114 HydrophobicContact CG2-CG1 4.1Å; V77-I114 HydrophobicContact CB-CG2 4.34Å; V77-I114 HydrophobicContact CG1-CB 3.75Å; V77-I114 HydrophobicContact CG1-CD1 4.3Å; V77-I114 HydrophobicContact CG1-CG2 3.48Å; V77-I114 VanDerWaalsContact CG1-CG2 3.48Å; V77-I114 HydrophobicContact CG2-CG2 4.09Å; C80-I114 HydrophobicContact CB-CD1 4.13Å; A81-I114 HydrophobicContact CB-CD1 4.4Å; L84-I114 HydrophobicContact CD1-CD1 4.14Å; V110-I114 HydrophobicContact CG1-CD1 4.04Å; V110-I114 WeakPolarHBondContact O-CG1 3.3Å; V110-I114 PolarHBondContact O-N 3.45Å; Y111-I114 PolarHBondContact O-N 3.48Å; I114-A116 VanDerWaalsContact C-N 3.32Å; I114-A116 PolarHBondContact O-N 3.34Å; I114-M117 PolarHBondContact O-N 2.91Å; I114-Q118 HydrophobicContact CG2-CG 4.49Å; I114-Q118 WeakPolarHBondContact O-CG 3.38Å; I114-Q118 PolarHBondContact O-N 2.59Å |
| 115 | R | 92.8 | Very high | 82.5 | Confident | 64 Ų | 64 | 41.7 Ų | 41.7 | 24% | 0.242 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 179.3 | -69.1 | -59.4 | -63.3 | -84.5 | 0.6 | 111.5 | V77 Y111 L112 F113 M117 Q118 L119 L192 D195 | V77-R115 HydrophobicContact CG1-CG 3.96Å; Y111-R115 HydrophobicContact CD1-CG 4.05Å; Y111-R115 HydrophobicContact CE1-CG 3.61Å; Y111-R115 HydrophobicContact CE2-CG 4.31Å; Y111-R115 WeakPolarHBondContact O-CG 3.43Å; Y111-R115 PolarHBondContact O-N 3.18Å; Y111-R115 PolarHBondContact OH-NH1 2.85Å; L112-R115 PolarHBondContact O-N 3.46Å; F113-R115 PolarHBondContact O-N 3.38Å; R115-M117 VanDerWaalsContact C-N 3.32Å; R115-M117 PolarHBondContact O-N 3Å; R115-Q118 PolarHBondContact O-N 3.48Å; R115-L119 WeakPolarHBondContact O-CG 3.34Å; R115-L119 PolarHBondContact O-N 2.94Å; R115-L192 HydrophobicContact CB-CD2 3.93Å; R115-L192 HydrophobicContact CG-CD2 4.29Å; R115-D195 IonicContact CZ-OD2 3.84Å; R115-D195 IonicContact NH1-OD2 2.93Å; R115-D195 PolarHBondContact NH1-OD2 3.36Å; R115-D195 IonicContact NH2-OD2 3.85Å |
| 116 | A | 91.8 | Very high | 80.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -35.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L112 F113 I114 L119 I166 L167 T170 N172 | L112-A116 VanDerWaalsContact O-CB 3.22Å; L112-A116 WeakPolarHBondContact O-CB 3.29Å; L112-A116 PolarHBondContact O-N 3.09Å; F113-A116 PolarHBondContact O-N 2.87Å; I114-A116 VanDerWaalsContact C-N 3.32Å; I114-A116 PolarHBondContact O-N 3.34Å; A116-L119 PolarHBondContact O-N 3.06Å; A116-I166 HydrophobicContact CB-CG2 3.64Å; A116-L167 HydrophobicContact CB-CD2 4.1Å; A116-T170 HydrophobicContact CB-CG2 3.94Å; A116-N172 PolarHBondContact O-ND2 2.98Å |
| 117 | M | 86.9 | Confident | 78.1 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 173.9 | -69.8 | -157.7 | 166 | 0 | 0 | 112.5 | F68 F113 I114 R115 L119 R120 F129 L132 | F68-M117 HydrophobicContact CB-CE 3.65Å; F68-M117 HydrophobicContact CB-SD 3.34Å; F68-M117 WeakPolarHBondContact CB-SD 3.39Å; F68-M117 HydrophobicContact CD2-CE 4.02Å; F68-M117 HydrophobicContact CG-CE 4.06Å; F68-M117 HydrophobicContact CG-SD 4.13Å; F113-M117 VanDerWaalsContact O-CG 3.32Å; F113-M117 WeakPolarHBondContact O-CG 3.3Å; F113-M117 PolarHBondContact O-N 3.19Å; I114-M117 PolarHBondContact O-N 2.91Å; R115-M117 VanDerWaalsContact C-N 3.32Å; R115-M117 PolarHBondContact O-N 3Å; M117-L119 VanDerWaalsContact C-N 3.28Å; M117-L119 PolarHBondContact O-N 2.7Å; M117-R120 PolarHBondContact O-N 3.18Å; M117-F129 HydrophobicContact CB-CE2 4.22Å; M117-F129 HydrophobicContact CB-CZ 3.69Å; M117-F129 HydrophobicContact CE-CD2 3.58Å; M117-F129 HydrophobicContact CE-CE2 3.54Å; M117-F129 HydrophobicContact CE-CG 4.22Å; M117-F129 HydrophobicContact CE-CZ 4.13Å; M117-F129 HydrophobicContact CG-CE1 4.02Å; M117-F129 HydrophobicContact CG-CE2 3.69Å; M117-F129 HydrophobicContact CG-CZ 3.39Å; M117-F129 HydrophobicContact SD-CD2 4.21Å; M117-F129 HydrophobicContact SD-CE2 3.52Å; M117-F129 VanDerWaalsContact SD-CE2 3.52Å; M117-F129 HydrophobicContact SD-CZ 3.9Å; M117-L132 HydrophobicContact CE-CD1 3.85Å |
| 118 | Q | 86.8 | Confident | 76.6 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -29.9 | 177.8 | -73.6 | 178.4 | -28 | 0 | 0 | 113.2 | N73 V77 I114 R115 R120 S121 | N73-Q118 PolarHBondContact OD1-NE2 3.21Å; V77-Q118 VanDerWaalsContact CG2-OE1 3.29Å; I114-Q118 HydrophobicContact CG2-CG 4.49Å; I114-Q118 WeakPolarHBondContact O-CG 3.38Å; I114-Q118 PolarHBondContact O-N 2.59Å; R115-Q118 PolarHBondContact O-N 3.48Å; Q118-R120 PolarHBondContact O-N 3.42Å; Q118-S121 PolarHBondContact O-N 3.42Å; Q118-S121 PolarHBondContact O-OG 2.93Å |
| 119 | L | 86.9 | Confident | 75.7 | Confident | 80 Ų | 80 | 63.2 Ų | 63.2 | 42% | 0.419 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.1 | 178.1 | -71 | 172.9 | 0 | 0 | 0 | 114.1 | R115 A116 M117 L167 L188 L192 | R115-L119 WeakPolarHBondContact O-CG 3.34Å; R115-L119 PolarHBondContact O-N 2.94Å; A116-L119 PolarHBondContact O-N 3.06Å; M117-L119 VanDerWaalsContact C-N 3.28Å; M117-L119 PolarHBondContact O-N 2.7Å; L119-L167 HydrophobicContact CD1-CD2 4.06Å; L119-L188 HydrophobicContact CD1-CD1 4.07Å; L119-L188 HydrophobicContact CD1-CD2 3.87Å; L119-L188 HydrophobicContact CD1-CG 4.48Å; L119-L192 HydrophobicContact CD1-CD1 4.18Å |
| 120 | R | 73.5 | Confident | 74.9 | Confident | 41 Ų | 41 | 66.1 Ų | 66.1 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -4.6 | -178.5 | -90.1 | -174.2 | 152.9 | -113.2 | -8.7 | 114.5 | M117 Q118 D122 N171 | M117-R120 PolarHBondContact O-N 3.18Å; Q118-R120 PolarHBondContact O-N 3.42Å; R120-D122 PolarHBondContact O-N 2.69Å; R120-D122 VanDerWaalsContact O-N 3.07Å; R120-N171 PolarHBondContact NE-O 3.3Å; R120-N171 VanDerWaalsContact NE-O 3.14Å; R120-N171 PolarHBondContact NH2-ND2 3.44Å; R120-N171 PolarHBondContact NH2-O 3.11Å |
| 121 | S | 59.7 | Low | 74.5 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.7 | -164.1 | 61.6 | 0 | 0 | 0 | 0 | 115.9 | Q118 | Q118-S121 PolarHBondContact O-N 3.42Å; Q118-S121 PolarHBondContact O-OG 2.93Å |
| 122 | D | 52.6 | Low | 74.1 | Confident | 147 Ų | 147 | 66.1 Ų | 66.1 | 79% | 0.786 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -19.3 | -164.8 | -65.1 | -4 | 0 | 0 | 0 | 115 | R120 | R120-D122 PolarHBondContact O-N 2.69Å; R120-D122 VanDerWaalsContact O-N 3.07Å |
| 123 | E | 46.1 | Very low | 73.6 | Confident | 170 Ų | 170 | 68.4 Ų | 68.4 | 79% | 0.794 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | -14 | -179.9 | -76.1 | -174.4 | 159.2 | 0 | 0 | 115.2 | ||
| 124 | Y | 50.6 | Low | 73.3 | Confident | 119 Ų | 119 | 69.1 Ų | 69.1 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | trans | -134.3 | 23.6 | -173.4 | -69.8 | -84.9 | 0 | 0 | 0 | 114.2 | N126 Q127 | Y124-N126 PolarHBondContact O-N 2.69Å; Y124-Q127 HydrophobicContact CD1-CG 4.38Å; Y124-Q127 PolarHBondContact O-N 3.3Å | ||
| 125 | S | 49.8 | Very low | 73.2 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -21.9 | -174.3 | 60.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 126 | N | 45.2 | Very low | 73.2 | Confident | 159 Ų | 159 | 71.5 Ų | 71.5 | 85% | 0.85 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8.1 | 177.1 | -72.6 | -22.1 | 0 | 0 | 0 | 115.2 | Y124 Q128 | Y124-N126 PolarHBondContact O-N 2.69Å; N126-Q128 PolarHBondContact O-N 2.82Å |
| 127 | Q | 53.7 | Low | 73.3 | Confident | 116 Ų | 116 | 72.6 Ų | 72.6 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -89.8 | 107.8 | 175.5 | -74.8 | -172.6 | -5.2 | 0 | 0 | 109.8 | Y124 | Y124-Q127 HydrophobicContact CD1-CG 4.38Å; Y124-Q127 PolarHBondContact O-N 3.3Å |
| 128 | Q | 62.2 | Low | 73.8 | Confident | 152 Ų | 152 | 71.4 Ų | 71.4 | 71% | 0.71 | 37% | 0.372 | S | S | * | . | trans | -47.1 | 142.1 | 167.8 | -81.6 | -178.5 | -11.6 | 0 | 0 | 110.5 | N126 P130 | N126-Q128 PolarHBondContact O-N 2.82Å; Q128-P130 VanDerWaalsContact O-CD 3.23Å; Q128-P130 WeakPolarHBondContact O-CD 3.23Å | ||
| 129 | F | 78.2 | Confident | 74.3 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | trans | -56.9 | 110.3 | 169.5 | -67 | -78.3 | 0 | 0 | 0 | 108.5 | M117 L131 L132 T170 | M117-F129 HydrophobicContact CB-CE2 4.22Å; M117-F129 HydrophobicContact CB-CZ 3.69Å; M117-F129 HydrophobicContact CE-CD2 3.58Å; M117-F129 HydrophobicContact CE-CE2 3.54Å; M117-F129 HydrophobicContact CE-CG 4.22Å; M117-F129 HydrophobicContact CE-CZ 4.13Å; M117-F129 HydrophobicContact CG-CE1 4.02Å; M117-F129 HydrophobicContact CG-CE2 3.69Å; M117-F129 HydrophobicContact CG-CZ 3.39Å; M117-F129 HydrophobicContact SD-CD2 4.21Å; M117-F129 HydrophobicContact SD-CE2 3.52Å; M117-F129 VanDerWaalsContact SD-CE2 3.52Å; M117-F129 HydrophobicContact SD-CZ 3.9Å; F129-L131 PolarHBondContact O-N 3.42Å; F129-L132 HydrophobicContact CB-CB 3.69Å; F129-L132 HydrophobicContact CB-CD1 4.32Å; F129-L132 HydrophobicContact CB-CG 4.11Å; F129-L132 HydrophobicContact CG-CB 4.48Å; F129-L132 HydrophobicContact CG-CD1 4.42Å; F129-L132 CarbonylContact O-C 3.38Å; F129-L132 PolarHBondContact O-N 3.22Å; F129-T170 HydrophobicContact CD1-CG2 4.44Å; F129-T170 WeakPolarHBondContact CD1-O 3.45Å; F129-T170 HydrophobicContact CE1-CG2 4.39Å | ||
| 130 | P | 80.2 | Confident | 74.8 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 40% | 0.403 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -64.2 | -23.2 | -164.4 | 22.5 | -33 | 0 | 0 | 0 | 113.1 | Q128 N133 N171 | Q128-P130 VanDerWaalsContact O-CD 3.23Å; Q128-P130 WeakPolarHBondContact O-CD 3.23Å; P130-N133 PolarHBondContact O-ND2 3.48Å; P130-N171 HydrophobicContact CG-CB 4.08Å |
| 131 | L | 87.4 | Confident | 76 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -94.1 | -36.3 | 175.3 | -59.6 | 174.2 | 0 | 0 | 0 | 112.1 | I41 F129 N133 N136 I138 L169 L175 | I41-L131 HydrophobicContact CD1-CD1 3.85Å; I41-L131 HydrophobicContact CD1-CD2 4.09Å; I41-L131 HydrophobicContact CD1-CG 4.49Å; I41-L131 HydrophobicContact CG2-CD2 4.37Å; F129-L131 PolarHBondContact O-N 3.42Å; L131-N133 VanDerWaalsContact C-N 3.31Å; L131-N133 PolarHBondContact O-N 3.06Å; L131-N136 PolarHBondContact O-ND2 2.74Å; L131-I138 HydrophobicContact CB-CD1 4.21Å; L131-L169 HydrophobicContact CD1-CD2 4.39Å; L131-L175 HydrophobicContact CD1-CD1 3.4Å |
| 132 | L | 87.7 | Confident | 77.8 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -93.2 | 57.6 | -177 | -45.4 | 179 | 0 | 0 | 0 | 110.8 | I49 I65 F113 M117 F129 I138 T170 | I49-L132 HydrophobicContact CD1-CD2 3.83Å; I49-L132 HydrophobicContact CG1-CD2 4.31Å; I65-L132 HydrophobicContact CG2-CB 4.05Å; I65-L132 WeakPolarHBondContact CG2-O 3.4Å; F113-L132 HydrophobicContact CD1-CD1 4.34Å; F113-L132 HydrophobicContact CE1-CD1 4.15Å; M117-L132 HydrophobicContact CE-CD1 3.85Å; F129-L132 HydrophobicContact CB-CB 3.69Å; F129-L132 HydrophobicContact CB-CD1 4.32Å; F129-L132 HydrophobicContact CB-CG 4.11Å; F129-L132 HydrophobicContact CG-CB 4.48Å; F129-L132 HydrophobicContact CG-CD1 4.42Å; F129-L132 CarbonylContact O-C 3.38Å; F129-L132 PolarHBondContact O-N 3.22Å; L132-I138 HydrophobicContact CD2-CD1 3.43Å; L132-I138 VanDerWaalsContact CD2-CD1 3.43Å; L132-T170 HydrophobicContact CD1-CG2 3.91Å |
| 133 | N | 87 | Confident | 79.8 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -121.1 | 7.6 | -177.3 | 63.8 | 11.3 | 0 | 0 | 0 | 113.9 | P130 L131 N135 N136 | P130-N133 PolarHBondContact O-ND2 3.48Å; L131-N133 VanDerWaalsContact C-N 3.31Å; L131-N133 PolarHBondContact O-N 3.06Å; N133-N135 PolarHBondContact O-N 2.86Å; N133-N135 WeakPolarHBondContact OD1-CB 3.34Å; N133-N135 PolarHBondContact OD1-N 2.83Å; N133-N136 PolarHBondContact OD1-ND2 3.17Å |
| 134 | G | 86.9 | Confident | 82.1 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 80.9 | -10.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | A45 C46 | A45-G134 CarbonylContact C-O 3.5Å; A45-G134 VanDerWaalsContact CA-O 3.23Å; A45-G134 WeakPolarHBondContact CA-O 3.47Å; C46-G134 PolarHBondContact N-O 3.23Å; C46-G134 CarbonylContact O-C 3.58Å; C46-G134 WeakPolarHBondContact O-CA 3.41Å |
| 135 | N | 91.3 | Very high | 84.1 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -88.4 | -7.5 | 179.5 | -59.7 | -44.4 | 0 | 0 | 0 | 113.1 | E44 N133 | E44-N135 CarbonylContact C-O 3.46Å; N133-N135 PolarHBondContact O-N 2.86Å; N133-N135 WeakPolarHBondContact OD1-CB 3.34Å; N133-N135 PolarHBondContact OD1-N 2.83Å |
| 136 | N | 92 | Very high | 86.1 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -120.6 | 139.3 | 179.4 | -57.5 | -80.2 | 0 | 0 | 0 | 110.7 | I41 K42 E44 L131 N133 I138 | I41-N136 HydrophobicContact CG2-CB 3.87Å; K42-N136 CarbonylContact O-C 3.55Å; K42-N136 WeakPolarHBondContact O-CA 3.49Å; E44-N136 CarbonylContact O-C 3.6Å; E44-N136 WeakPolarHBondContact O-CA 3.24Å; L131-N136 PolarHBondContact O-ND2 2.74Å; N133-N136 PolarHBondContact OD1-ND2 3.17Å; N136-I138 HydrophobicContact CB-CG1 4.39Å |
| 137 | T | 94.8 | Very high | 88 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.2 | 168.2 | -62.6 | 0 | 0 | 0 | 0 | 107.2 | I41 K42 E44 C46 I50 | I41-T137 WeakPolarHBondContact CA-O 3.48Å; K42-T137 PolarHBondContact N-O 3.14Å; K42-T137 PolarHBondContact O-N 3.01Å; E44-T137 WeakPolarHBondContact CB-OG1 3.35Å; E44-T137 PolarHBondContact O-N 2.93Å; E44-T137 PolarHBondContact O-OG1 3.07Å; C46-T137 HydrophobicContact CB-CG2 4.28Å; C46-T137 VanDerWaalsContact CB-OG1 3.29Å; C46-T137 WeakPolarHBondContact CB-OG1 3.36Å; I50-T137 HydrophobicContact CD1-CG2 4.25Å |
| 138 | I | 96.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.7 | -179.7 | -59.7 | 170.2 | 0 | 0 | 0 | 107.7 | V39 T40 I41 I49 I50 L131 L132 N136 V140 L169 | V39-I138 HydrophobicContact CG1-CG2 4.22Å; T40-I138 WeakPolarHBondContact O-CA 3.17Å; I41-I138 HydrophobicContact CG1-CG1 4.38Å; I41-I138 HydrophobicContact CG2-CG1 4.28Å; I49-I138 HydrophobicContact CG2-CB 4.48Å; I49-I138 HydrophobicContact CG2-CG2 4.12Å; I50-I138 PolarHBondContact N-O 3.4Å; L131-I138 HydrophobicContact CB-CD1 4.21Å; L132-I138 HydrophobicContact CD2-CD1 3.43Å; L132-I138 VanDerWaalsContact CD2-CD1 3.43Å; N136-I138 HydrophobicContact CB-CG1 4.39Å; I138-V140 HydrophobicContact CG2-CG2 4.26Å; I138-L169 HydrophobicContact CD1-CD2 4.37Å; I138-L169 HydrophobicContact CG2-CD1 4.23Å; I138-L169 HydrophobicContact CG2-CD2 3.92Å |
| 139 | C | 97.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | V39 T40 I50 | V39-C139 CarbonylContact C-O 3.59Å; V39-C139 VanDerWaalsContact CA-O 3.32Å; V39-C139 WeakPolarHBondContact CA-O 3.46Å; T40-C139 PolarHBondContact N-O 3.44Å; T40-C139 PolarHBondContact O-N 2.98Å; I50-C139 HydrophobicContact CB-CB 4.43Å; I50-C139 CarbonylContact O-C 3.36Å; I50-C139 WeakPolarHBondContact O-CA 3.44Å |
| 140 | V | 98 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 106 | 178.8 | -175 | 0 | 0 | 0 | 0 | 108.6 | F37 V39 I49 I50 I51 D52 I138 I142 L169 | F37-V140 HydrophobicContact CD1-CG1 3.71Å; F37-V140 HydrophobicContact CE1-CG1 4.38Å; V39-V140 HydrophobicContact CG2-CG1 4.2Å; V39-V140 HydrophobicContact CG2-CG2 4.11Å; I49-V140 HydrophobicContact CG2-CG2 4.28Å; I50-V140 PolarHBondContact O-N 3.36Å; I51-V140 WeakPolarHBondContact CA-O 3.49Å; I51-V140 HydrophobicContact CG1-CB 4.47Å; D52-V140 PolarHBondContact N-O 3.49Å; I138-V140 HydrophobicContact CG2-CG2 4.26Å; V140-I142 HydrophobicContact CG1-CD1 4.38Å; V140-I142 HydrophobicContact CG1-CG1 4.06Å; V140-L169 HydrophobicContact CG2-CD1 4.24Å |
| 141 | E | 97.9 | Very high | 90.3 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.4 | 175.4 | -57.4 | -177.3 | 116.6 | 0 | 0 | 110.2 | F37 T38 D52 K54 | F37-E141 CarbonylContact C-O 3.31Å; F37-E141 WeakPolarHBondContact CA-O 3.4Å; T38-E141 PolarHBondContact N-O 3.36Å; T38-E141 PolarHBondContact O-N 3.19Å; D52-E141 HydrophobicContact CB-CB 4.49Å; D52-E141 HydrophobicContact CB-CG 4.23Å; K54-E141 WeakPolarHBondContact CE-OE1 3.27Å; K54-E141 IonicContact NZ-OE1 2.77Å; K54-E141 PolarHBondContact NZ-OE1 3.02Å |
| 142 | I | 97.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.8 | -174.4 | -54.5 | 170.2 | 0 | 0 | 0 | 109.1 | Y36 F37 I51 D52 F53 K54 V140 F158 | Y36-I142 WeakPolarHBondContact O-CA 3.39Å; F37-I142 HydrophobicContact CD1-CD1 4.05Å; F37-I142 HydrophobicContact CD1-CG1 3.8Å; F37-I142 HydrophobicContact CD2-CG1 4.45Å; F37-I142 HydrophobicContact CD2-CG2 4.24Å; F37-I142 HydrophobicContact CE1-CD1 3.43Å; F37-I142 VanDerWaalsContact CE1-CD1 3.43Å; F37-I142 HydrophobicContact CE1-CG1 3.65Å; F37-I142 HydrophobicContact CE2-CG1 4.32Å; F37-I142 HydrophobicContact CE2-CG2 3.77Å; F37-I142 HydrophobicContact CG-CG1 4.2Å; F37-I142 HydrophobicContact CZ-CD1 3.73Å; F37-I142 HydrophobicContact CZ-CG1 3.93Å; F37-I142 HydrophobicContact CZ-CG2 3.93Å; I51-I142 HydrophobicContact CG2-CD1 3.63Å; I51-I142 HydrophobicContact CG2-CG1 4.5Å; D52-I142 PolarHBondContact O-N 2.96Å; F53-I142 HydrophobicContact CD1-CB 4.26Å; F53-I142 HydrophobicContact CD1-CD1 3.72Å; F53-I142 HydrophobicContact CD1-CG2 4.43Å; F53-I142 HydrophobicContact CE1-CD1 3.44Å; F53-I142 VanDerWaalsContact CE1-CD1 3.44Å; F53-I142 HydrophobicContact CZ-CD1 4.1Å; K54-I142 PolarHBondContact N-O 2.87Å; V140-I142 HydrophobicContact CG1-CD1 4.38Å; V140-I142 HydrophobicContact CG1-CG1 4.06Å; I142-F158 HydrophobicContact CD1-CE2 4.19Å; I142-F158 HydrophobicContact CG2-CD2 4.21Å; I142-F158 HydrophobicContact CG2-CE2 4.12Å |
| 143 | Q | 96 | Very high | 90.4 | Very high | 100 Ų | 100 | 33.7 Ų | 33.7 | 47% | 0.467 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.5 | 179.1 | 173.2 | -177.9 | -33.4 | 0 | 0 | 109.8 | Y36 | Y36-Q143 PolarHBondContact N-O 3.15Å; Y36-Q143 PolarHBondContact O-N 2.97Å |
| 144 | S | 94.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 128.4 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 113 | D55 I146 | D55-S144 PolarHBondContact OD2-N 2.91Å; S144-I146 PolarHBondContact O-N 2.95Å; S144-I146 VanDerWaalsContact OG-CB 3.3Å; S144-I146 WeakPolarHBondContact OG-CB 3.45Å; S144-I146 PolarHBondContact OG-N 2.97Å; S144-I146 PolarHBondContact OG-O 3.09Å |
| 145 | D | 92.3 | Very high | 91 | Very high | 59 Ų | 59 | 32.8 Ų | 32.8 | 32% | 0.316 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -77.4 | -6.7 | 167.9 | -63.5 | -20.1 | 0 | 0 | 0 | 112.4 | L33 R34 Y36 P147 | L33-D145 HydrophobicContact CD2-CB 4.46Å; R34-D145 PolarHBondContact O-N 3.04Å; Y36-D145 WeakPolarHBondContact CE2-OD2 3.37Å; D145-P147 WeakPolarHBondContact O-CD 3.3Å |
| 146 | I | 91.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -88.7 | 119.2 | -174.8 | -43.3 | 169.5 | 0 | 0 | 0 | 108.7 | A10 L33 C35 S144 R148 L152 A157 | A10-I146 HydrophobicContact CB-CB 4.47Å; A10-I146 HydrophobicContact CB-CD1 3.7Å; A10-I146 HydrophobicContact CB-CG1 3.82Å; A10-I146 HydrophobicContact CB-CG2 3.84Å; L33-I146 HydrophobicContact CB-CG1 3.97Å; C35-I146 HydrophobicContact CB-CD1 4.22Å; S144-I146 PolarHBondContact O-N 2.95Å; S144-I146 VanDerWaalsContact OG-CB 3.3Å; S144-I146 WeakPolarHBondContact OG-CB 3.45Å; S144-I146 PolarHBondContact OG-N 2.97Å; S144-I146 PolarHBondContact OG-O 3.09Å; I146-R148 PolarHBondContact O-N 2.88Å; I146-L152 HydrophobicContact CG2-CB 3.9Å; I146-A157 HydrophobicContact CD1-CB 3.41Å; I146-A157 VanDerWaalsContact CD1-CB 3.41Å |
| 147 | P | 85.6 | Confident | 91.4 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 135.2 | 174.4 | -21 | 29.7 | 0 | 0 | 0 | 111.2 | D145 C150 W373 | D145-P147 WeakPolarHBondContact O-CD 3.3Å; P147-C150 HydrophobicContact CB-CB 4.28Å; P147-C150 PolarHBondContact O-SG 2.72Å; P147-W373 HydrophobicContact CG-CD2 3.88Å; P147-W373 HydrophobicContact CG-CE3 3.72Å; P147-W373 HydrophobicContact CG-CH2 3.92Å; P147-W373 HydrophobicContact CG-CZ2 4.07Å; P147-W373 HydrophobicContact CG-CZ3 3.76Å |
| 148 | R | 82.3 | Confident | 91.5 | Very high | 122 Ų | 122 | 26.9 Ų | 26.9 | 46% | 0.46 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 143.7 | -177.1 | -61.8 | 178.9 | 69.2 | 105.6 | 6.3 | 111.3 | L56 I146 C150 | L56-R148 VanDerWaalsContact CG-NH1 3.27Å; I146-R148 PolarHBondContact O-N 2.88Å; R148-C150 PolarHBondContact O-N 3.07Å |
| 149 | G | 76.5 | Confident | 91.5 | Very high | 41 Ų | 41 | 26.8 Ų | 26.8 | 42% | 0.423 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 10.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R250 | G149-R250 PolarHBondContact O-NH1 3.41Å; G149-R250 VanDerWaalsContact O-NH1 3.11Å |
| 150 | C | 80.2 | Confident | 91.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -94.3 | -4.9 | -174.1 | 72.7 | 0 | 0 | 0 | 0 | 113.8 | P147 R148 L152 N245 R250 C345 | P147-C150 HydrophobicContact CB-CB 4.28Å; P147-C150 PolarHBondContact O-SG 2.72Å; R148-C150 PolarHBondContact O-N 3.07Å; C150-L152 WeakPolarHBondContact SG-CD1 2.97Å; C150-L152 WeakPolarHBondContact SG-CG 3.36Å; C150-N245 HydrophobicContact CB-CB 4.46Å; C150-R250 PolarHBondContact O-NH1 2.65Å; C150-R250 PolarHBondContact O-NH2 2.91Å; C150-C345 WeakPolarHBondContact CB-SG 3.22Å; C150-C345 PolarHBondContact O-N 2.95Å; C150-C345 PolarHBondContact O-SG 2.77Å |
| 151 | G | 81.7 | Confident | 91.5 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 93.1 | 9.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K11 G153 | K11-G151 WeakPolarHBondContact CE-O 3.49Å; G151-G153 VanDerWaalsContact C-N 3.27Å; G151-G153 PolarHBondContact O-N 3Å |
| 152 | L | 89.4 | Confident | 91.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -86.7 | 14.5 | 176.7 | -60.7 | 173.9 | 0 | 0 | 0 | 113.9 | A10 K11 I31 L33 I146 C150 I243 T338 C345 | A10-L152 WeakPolarHBondContact CA-O 3.13Å; A10-L152 HydrophobicContact CB-CB 4.34Å; A10-L152 VanDerWaalsContact CB-O 3.28Å; A10-L152 WeakPolarHBondContact CB-O 3.27Å; K11-L152 PolarHBondContact N-O 2.93Å; K11-L152 CarbonylContact O-C 3.58Å; K11-L152 VanDerWaalsContact O-CA 3.23Å; K11-L152 WeakPolarHBondContact O-CA 3.46Å; I31-L152 HydrophobicContact CD1-CD2 4.03Å; L33-L152 HydrophobicContact CD1-CD1 4.2Å; I146-L152 HydrophobicContact CG2-CB 3.9Å; C150-L152 WeakPolarHBondContact SG-CD1 2.97Å; C150-L152 WeakPolarHBondContact SG-CG 3.36Å; L152-I243 HydrophobicContact CD1-CG2 3.7Å; L152-I243 HydrophobicContact CD2-CG2 3.88Å; L152-I243 HydrophobicContact CG-CG2 4.35Å; L152-T338 HydrophobicContact CD2-CG2 4.5Å; L152-C345 HydrophobicContact CD2-CB 4.26Å |
| 153 | G | 89.8 | Confident | 91.6 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | trans | 70.4 | 32.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G151 S155 G156 A157 D208 | G151-G153 VanDerWaalsContact C-N 3.27Å; G151-G153 PolarHBondContact O-N 3Å; G153-S155 PolarHBondContact O-N 2.79Å; G153-G156 PolarHBondContact O-N 3.04Å; G153-G156 VanDerWaalsContact O-N 3.1Å; G153-A157 PolarHBondContact O-N 3.22Å; G153-D208 WeakPolarHBondContact CA-OD2 3.24Å | ||
| 154 | S | 92.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 17.4 Ų | 17.4 | 19% | 0.189 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.6 | -37.4 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | F158 | S154-F158 WeakPolarHBondContact O-CB 2.96Å; S154-F158 PolarHBondContact O-N 2.83Å |
| 155 | S | 92.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 16.1 Ų | 16.1 | 13% | 0.133 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.9 | -35.4 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | G153 F158 S159 E197 H201 | G153-S155 PolarHBondContact O-N 2.79Å; S155-F158 PolarHBondContact O-N 2.87Å; S155-S159 VanDerWaalsContact O-CB 3.31Å; S155-S159 WeakPolarHBondContact O-CB 3.23Å; S155-S159 PolarHBondContact O-N 3.43Å; S155-S159 PolarHBondContact O-OG 2.89Å; S155-E197 WeakPolarHBondContact CA-OE1 3.43Å; S155-E197 WeakPolarHBondContact CB-OE1 3.39Å; S155-E197 PolarHBondContact OG-OE1 3.38Å; S155-H201 PolarHBondContact OG-NE2 3.39Å |
| 156 | G | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G153 F158 S159 V160 E197 | G153-G156 PolarHBondContact O-N 3.04Å; G153-G156 VanDerWaalsContact O-N 3.1Å; G156-F158 PolarHBondContact O-N 3.45Å; G156-S159 PolarHBondContact O-N 3.03Å; G156-V160 WeakPolarHBondContact O-CB 3.35Å; G156-V160 WeakPolarHBondContact O-CG2 3.33Å; G156-V160 PolarHBondContact O-N 3.13Å; G156-E197 PolarHBondContact N-OE1 2.94Å; G156-E197 VanDerWaalsContact N-OE1 3.07Å |
| 157 | A | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A8 P9 C35 I146 G153 V160 A161 C212 | A8-A157 HydrophobicContact CB-CB 4.28Å; A8-A157 WeakPolarHBondContact CB-O 3.36Å; P9-A157 WeakPolarHBondContact O-CB 3.45Å; C35-A157 HydrophobicContact CB-CB 3.96Å; I146-A157 HydrophobicContact CD1-CB 3.41Å; I146-A157 VanDerWaalsContact CD1-CB 3.41Å; G153-A157 PolarHBondContact O-N 3.22Å; A157-V160 PolarHBondContact O-N 3.24Å; A157-A161 WeakPolarHBondContact O-CB 3.31Å; A157-A161 PolarHBondContact O-N 3.03Å; A157-C212 PolarHBondContact N-SG 2.77Å |
| 158 | F | 97.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 12.1 Ų | 12.1 | 7% | 0.07 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 174 | 173 | -94.8 | 0 | 0 | 0 | 111.7 | F37 F53 V108 M109 I142 S154 S155 G156 V160 A161 A162 I200 | F37-F158 HydrophobicContact CE1-CE2 4.47Å; F37-F158 AromaticContact CE2-CD2 3.92Å; F37-F158 HydrophobicContact CE2-CD2 3.92Å; F37-F158 HydrophobicContact CE2-CE2 4.22Å; F37-F158 AromaticContact CZ-CD2 3.66Å; F37-F158 HydrophobicContact CZ-CD2 3.66Å; F37-F158 AromaticContact CZ-CE2 3.52Å; F37-F158 HydrophobicContact CZ-CE2 3.52Å; F37-F158 HydrophobicContact CZ-CG 4.49Å; F37-F158 HydrophobicContact CZ-CZ 4.24Å; F53-F158 HydrophobicContact CD1-CE2 4.47Å; F53-F158 AromaticContact CE1-CE2 3.83Å; F53-F158 HydrophobicContact CE1-CE2 3.83Å; F53-F158 AromaticContact CE1-CZ 3.99Å; F53-F158 HydrophobicContact CE1-CZ 3.99Å; V108-F158 HydrophobicContact CB-CE1 4Å; V108-F158 HydrophobicContact CG1-CD1 4.35Å; V108-F158 HydrophobicContact CG1-CE1 3.68Å; M109-F158 HydrophobicContact CG-CZ 4.33Å; M109-F158 HydrophobicContact SD-CZ 4.35Å; I142-F158 HydrophobicContact CD1-CE2 4.19Å; I142-F158 HydrophobicContact CG2-CD2 4.21Å; I142-F158 HydrophobicContact CG2-CE2 4.12Å; S154-F158 WeakPolarHBondContact O-CB 2.96Å; S154-F158 PolarHBondContact O-N 2.83Å; S155-F158 PolarHBondContact O-N 2.87Å; G156-F158 PolarHBondContact O-N 3.45Å; F158-V160 VanDerWaalsContact C-N 3.33Å; F158-V160 PolarHBondContact O-N 2.98Å; F158-A161 PolarHBondContact O-N 3.03Å; F158-A162 WeakPolarHBondContact O-CB 3.4Å; F158-A162 PolarHBondContact O-N 3.06Å; F158-I200 HydrophobicContact CD1-CD1 4.49Å |
| 159 | S | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | -177.3 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | S155 G156 T163 | S155-S159 VanDerWaalsContact O-CB 3.31Å; S155-S159 WeakPolarHBondContact O-CB 3.23Å; S155-S159 PolarHBondContact O-N 3.43Å; S155-S159 PolarHBondContact O-OG 2.89Å; G156-S159 PolarHBondContact O-N 3.03Å; S159-T163 VanDerWaalsContact O-CB 3.23Å; S159-T163 WeakPolarHBondContact O-CB 3.4Å; S159-T163 PolarHBondContact O-N 3.24Å; S159-T163 PolarHBondContact O-OG1 3.3Å |
| 160 | V | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67.7 | -49.3 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | A8 G156 A157 F158 A162 T163 A164 V189 A193 S209 C212 T213 V384 | A8-V160 HydrophobicContact CB-CB 3.96Å; A8-V160 HydrophobicContact CB-CG1 3.75Å; G156-V160 WeakPolarHBondContact O-CB 3.35Å; G156-V160 WeakPolarHBondContact O-CG2 3.33Å; G156-V160 PolarHBondContact O-N 3.13Å; A157-V160 PolarHBondContact O-N 3.24Å; F158-V160 VanDerWaalsContact C-N 3.33Å; F158-V160 PolarHBondContact O-N 2.98Å; V160-A162 PolarHBondContact O-N 3.28Å; V160-T163 PolarHBondContact O-N 3.38Å; V160-A164 WeakPolarHBondContact O-CB 3.44Å; V160-A164 PolarHBondContact O-N 3.19Å; V160-V189 HydrophobicContact CG1-CG1 3.89Å; V160-A193 HydrophobicContact CB-CB 4.32Å; V160-A193 HydrophobicContact CG2-CB 3.55Å; V160-S209 WeakPolarHBondContact CG2-O 3.31Å; V160-C212 HydrophobicContact CB-CB 4.17Å; V160-C212 HydrophobicContact CG2-CB 3.77Å; V160-T213 VanDerWaalsContact CG2-OG1 3.27Å; V160-T213 WeakPolarHBondContact CG2-OG1 3.09Å; V160-V384 HydrophobicContact CG1-CB 3.74Å; V160-V384 HydrophobicContact CG1-CG2 3.91Å |
| 161 | A | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V6 A8 F37 A157 F158 T165 | V6-A161 HydrophobicContact CG1-CB 4.19Å; A8-A161 HydrophobicContact CB-CB 4.09Å; F37-A161 HydrophobicContact CD2-CB 3.43Å; F37-A161 VanDerWaalsContact CD2-CB 3.43Å; F37-A161 HydrophobicContact CE2-CB 3.63Å; F37-A161 HydrophobicContact CG-CB 4.29Å; A157-A161 WeakPolarHBondContact O-CB 3.31Å; A157-A161 PolarHBondContact O-N 3.03Å; F158-A161 PolarHBondContact O-N 3.03Å; A161-T165 VanDerWaalsContact O-CB 3.27Å; A161-T165 WeakPolarHBondContact O-CB 3.37Å; A161-T165 PolarHBondContact O-N 3.35Å; A161-T165 PolarHBondContact O-OG1 3.4Å |
| 162 | A | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F37 M109 L112 F158 V160 A164 T165 I166 | F37-A162 HydrophobicContact CE1-CB 3.82Å; F37-A162 HydrophobicContact CZ-CB 3.65Å; M109-A162 HydrophobicContact SD-CB 3.65Å; L112-A162 HydrophobicContact CD1-CB 3.67Å; F158-A162 WeakPolarHBondContact O-CB 3.4Å; F158-A162 PolarHBondContact O-N 3.06Å; V160-A162 PolarHBondContact O-N 3.28Å; A162-A164 PolarHBondContact O-N 2.98Å; A162-T165 PolarHBondContact O-N 3.49Å; A162-I166 WeakPolarHBondContact O-CB 3.13Å; A162-I166 VanDerWaalsContact O-CG1 3.29Å; A162-I166 WeakPolarHBondContact O-CG1 3.49Å; A162-I166 PolarHBondContact O-N 3.5Å |
| 163 | T | 98 | Very high | 94.5 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.012 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.1 | -51.9 | -179.9 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | L112 S159 V160 T165 I166 L167 V189 L192 A193 | L112-T163 WeakPolarHBondContact CD2-OG1 3.21Å; S159-T163 VanDerWaalsContact O-CB 3.23Å; S159-T163 WeakPolarHBondContact O-CB 3.4Å; S159-T163 PolarHBondContact O-N 3.24Å; S159-T163 PolarHBondContact O-OG1 3.3Å; V160-T163 PolarHBondContact O-N 3.38Å; T163-T165 VanDerWaalsContact C-N 3.35Å; T163-T165 PolarHBondContact O-N 3.48Å; T163-I166 PolarHBondContact O-N 2.92Å; T163-L167 HydrophobicContact CG2-CD1 3.79Å; T163-L167 HydrophobicContact CG2-CG 4.41Å; T163-L167 WeakPolarHBondContact O-CB 3.22Å; T163-L167 VanDerWaalsContact O-CG 3.27Å; T163-L167 WeakPolarHBondContact O-CG 3.36Å; T163-L167 PolarHBondContact O-N 3.32Å; T163-V189 HydrophobicContact CG2-CB 4.33Å; T163-V189 HydrophobicContact CG2-CG1 4.18Å; T163-V189 HydrophobicContact CG2-CG2 4.41Å; T163-L192 HydrophobicContact CG2-CB 3.62Å; T163-L192 HydrophobicContact CG2-CD1 4.05Å; T163-L192 HydrophobicContact CG2-CG 4.48Å; T163-A193 PolarHBondContact OG1-N 3.01Å |
| 164 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | V6 V160 A162 I166 L167 L168 W179 V189 V384 | V6-A164 HydrophobicContact CG1-CB 3.8Å; V160-A164 WeakPolarHBondContact O-CB 3.44Å; V160-A164 PolarHBondContact O-N 3.19Å; A162-A164 PolarHBondContact O-N 2.98Å; A164-I166 PolarHBondContact O-N 3.48Å; A164-L167 PolarHBondContact O-N 3.42Å; A164-L168 WeakPolarHBondContact O-CD1 3.26Å; A164-L168 WeakPolarHBondContact O-CG 3.41Å; A164-L168 PolarHBondContact O-N 2.91Å; A164-L168 VanDerWaalsContact O-N 3.11Å; A164-W179 HydrophobicContact CB-CH2 4.13Å; A164-W179 HydrophobicContact CB-CZ3 4.08Å; A164-V189 HydrophobicContact CB-CG1 4.49Å; A164-V189 HydrophobicContact CB-CG2 4.43Å; A164-V384 HydrophobicContact CB-CG2 3.77Å |
| 165 | T | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 175.7 | -60.7 | 0 | 0 | 0 | 0 | 112 | F4 V6 F37 V39 A161 A162 T163 L168 L169 | F4-T165 HydrophobicContact CE2-CG2 4.27Å; F4-T165 HydrophobicContact CZ-CG2 4.41Å; V6-T165 WeakPolarHBondContact CB-OG1 3.24Å; F37-T165 HydrophobicContact CB-CG2 4.47Å; F37-T165 WeakPolarHBondContact CB-OG1 3.37Å; F37-T165 HydrophobicContact CD1-CG2 4.24Å; V39-T165 HydrophobicContact CG2-CG2 3.53Å; A161-T165 VanDerWaalsContact O-CB 3.27Å; A161-T165 WeakPolarHBondContact O-CB 3.37Å; A161-T165 PolarHBondContact O-N 3.35Å; A161-T165 PolarHBondContact O-OG1 3.4Å; A162-T165 PolarHBondContact O-N 3.49Å; T163-T165 VanDerWaalsContact C-N 3.35Å; T163-T165 PolarHBondContact O-N 3.48Å; T165-L168 WeakPolarHBondContact O-CB 3.36Å; T165-L168 PolarHBondContact O-N 3.18Å; T165-L169 HydrophobicContact CG2-CD1 4.1Å; T165-L169 HydrophobicContact CG2-CG 4.49Å; T165-L169 WeakPolarHBondContact O-CG 3.41Å; T165-L169 PolarHBondContact O-N 2.98Å |
| 166 | I | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.2 | -39.4 | -177.8 | -72 | 169 | 0 | 0 | 0 | 110.9 | M109 L112 F113 A116 A162 T163 A164 L168 L169 T170 | M109-I166 HydrophobicContact CE-CD1 3.97Å; M109-I166 HydrophobicContact CE-CG1 4.29Å; M109-I166 HydrophobicContact SD-CD1 4Å; L112-I166 HydrophobicContact CB-CD1 3.38Å; L112-I166 HydrophobicContact CB-CG2 4.49Å; L112-I166 HydrophobicContact CD1-CD1 4.15Å; L112-I166 HydrophobicContact CG-CD1 4.43Å; F113-I166 HydrophobicContact CD1-CG1 4.33Å; F113-I166 HydrophobicContact CD1-CG2 3.73Å; F113-I166 HydrophobicContact CD2-CD1 3.9Å; F113-I166 HydrophobicContact CD2-CG1 4.18Å; F113-I166 HydrophobicContact CE1-CG1 4.07Å; F113-I166 HydrophobicContact CE1-CG2 4.05Å; F113-I166 HydrophobicContact CE2-CD1 3.97Å; F113-I166 HydrophobicContact CE2-CG1 3.91Å; F113-I166 HydrophobicContact CG-CD1 4.27Å; F113-I166 HydrophobicContact CG-CG1 4.37Å; F113-I166 HydrophobicContact CG-CG2 4.07Å; F113-I166 HydrophobicContact CZ-CD1 4.41Å; F113-I166 HydrophobicContact CZ-CG1 3.84Å; A116-I166 HydrophobicContact CB-CG2 3.64Å; A162-I166 WeakPolarHBondContact O-CB 3.13Å; A162-I166 VanDerWaalsContact O-CG1 3.29Å; A162-I166 WeakPolarHBondContact O-CG1 3.49Å; A162-I166 PolarHBondContact O-N 3.5Å; T163-I166 PolarHBondContact O-N 2.92Å; A164-I166 PolarHBondContact O-N 3.48Å; I166-L168 VanDerWaalsContact C-N 3.26Å; I166-L168 PolarHBondContact O-N 3.39Å; I166-L169 PolarHBondContact O-N 2.84Å; I166-T170 HydrophobicContact CG2-CG2 4.15Å; I166-T170 WeakPolarHBondContact O-CB 3.28Å; I166-T170 WeakPolarHBondContact O-CG2 3.29Å; I166-T170 PolarHBondContact O-N 3.38Å; I166-T170 PolarHBondContact O-OG1 3.01Å |
| 167 | L | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 175.4 | -69.6 | 169.7 | 0 | 0 | 0 | 112.1 | A116 L119 T163 A164 T170 N171 N172 Y173 L188 V189 L192 | A116-L167 HydrophobicContact CB-CD2 4.1Å; L119-L167 HydrophobicContact CD1-CD2 4.06Å; T163-L167 HydrophobicContact CG2-CD1 3.79Å; T163-L167 HydrophobicContact CG2-CG 4.41Å; T163-L167 WeakPolarHBondContact O-CB 3.22Å; T163-L167 VanDerWaalsContact O-CG 3.27Å; T163-L167 WeakPolarHBondContact O-CG 3.36Å; T163-L167 PolarHBondContact O-N 3.32Å; A164-L167 PolarHBondContact O-N 3.42Å; L167-T170 PolarHBondContact O-OG1 2.87Å; L167-N171 PolarHBondContact O-N 3.29Å; L167-N172 HydrophobicContact CB-CB 4.2Å; L167-N172 HydrophobicContact CD2-CB 3.65Å; L167-N172 WeakPolarHBondContact O-CB 3.39Å; L167-N172 PolarHBondContact O-N 3.24Å; L167-Y173 HydrophobicContact CB-CD2 3.58Å; L167-Y173 HydrophobicContact CB-CE2 3.84Å; L167-Y173 HydrophobicContact CB-CG 4.22Å; L167-Y173 HydrophobicContact CD1-CD2 4.06Å; L167-Y173 HydrophobicContact CD1-CE2 3.39Å; L167-Y173 HydrophobicContact CG-CD2 4.44Å; L167-Y173 HydrophobicContact CG-CE2 4.2Å; L167-Y173 PolarHBondContact O-N 3.28Å; L167-L188 HydrophobicContact CD1-CD2 4.39Å; L167-L188 HydrophobicContact CD1-CG 4.38Å; L167-L188 HydrophobicContact CD2-CD2 4.36Å; L167-V189 HydrophobicContact CD1-CG2 3.9Å; L167-L192 HydrophobicContact CD1-CD1 4.34Å; L167-L192 HydrophobicContact CD2-CD1 4.19Å |
| 168 | L | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.4 | -48.1 | 171.6 | -69.2 | 161.7 | 0 | 0 | 0 | 111.9 | F4 V6 A164 T165 I166 T170 N171 P174 L175 W179 Y386 | F4-L168 HydrophobicContact CD2-CD1 4.25Å; F4-L168 HydrophobicContact CE2-CB 4.44Å; F4-L168 HydrophobicContact CE2-CD1 3.85Å; F4-L168 HydrophobicContact CZ-CB 4.28Å; F4-L168 HydrophobicContact CZ-CD1 4.48Å; V6-L168 HydrophobicContact CG2-CD1 3.67Å; A164-L168 WeakPolarHBondContact O-CD1 3.26Å; A164-L168 WeakPolarHBondContact O-CG 3.41Å; A164-L168 PolarHBondContact O-N 2.91Å; A164-L168 VanDerWaalsContact O-N 3.11Å; T165-L168 WeakPolarHBondContact O-CB 3.36Å; T165-L168 PolarHBondContact O-N 3.18Å; I166-L168 VanDerWaalsContact C-N 3.26Å; I166-L168 PolarHBondContact O-N 3.39Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.35Å; L168-N171 PolarHBondContact O-N 3.39Å; L168-N171 VanDerWaalsContact O-N 3.09Å; L168-P174 WeakPolarHBondContact CD2-O 3.19Å; L168-L175 HydrophobicContact CB-CG 4.49Å; L168-L175 HydrophobicContact CD2-CG 4.47Å; L168-W179 HydrophobicContact CD1-CE3 3.93Å; L168-W179 HydrophobicContact CD1-CZ3 3.79Å; L168-W179 HydrophobicContact CD2-CD2 4.37Å; L168-W179 HydrophobicContact CD2-CE3 4Å; L168-W179 HydrophobicContact CD2-CZ3 4.25Å; L168-W179 HydrophobicContact CG-CE3 4.27Å; L168-W179 HydrophobicContact CG-CZ3 4.08Å; L168-Y386 HydrophobicContact CD1-CD2 3.47Å; L168-Y386 VanDerWaalsContact CD1-CD2 3.47Å; L168-Y386 HydrophobicContact CD1-CE2 3.66Å; L168-Y386 HydrophobicContact CD2-CE2 4.27Å |
| 169 | L | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.7 | -35.4 | -179.8 | -77.3 | 177.5 | 0 | 0 | 0 | 113.2 | F4 V39 I41 F113 L131 I138 V140 T165 I166 N171 | F4-L169 HydrophobicContact CE1-CD2 4.39Å; F4-L169 HydrophobicContact CZ-CD2 4.27Å; F4-L169 HydrophobicContact CZ-CG 4.33Å; V39-L169 HydrophobicContact CG1-CD2 4Å; I41-L169 HydrophobicContact CD1-CD2 4.13Å; F113-L169 HydrophobicContact CE1-CB 4.47Å; F113-L169 HydrophobicContact CE1-CD1 4.38Å; F113-L169 HydrophobicContact CZ-CD1 4.06Å; L131-L169 HydrophobicContact CD1-CD2 4.39Å; I138-L169 HydrophobicContact CD1-CD2 4.37Å; I138-L169 HydrophobicContact CG2-CD1 4.23Å; I138-L169 HydrophobicContact CG2-CD2 3.92Å; V140-L169 HydrophobicContact CG2-CD1 4.24Å; T165-L169 HydrophobicContact CG2-CD1 4.1Å; T165-L169 HydrophobicContact CG2-CG 4.49Å; T165-L169 WeakPolarHBondContact O-CG 3.41Å; T165-L169 PolarHBondContact O-N 2.98Å; I166-L169 PolarHBondContact O-N 2.84Å; L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.14Å |
| 170 | T | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.8 | 177.9 | 55.8 | 0 | 0 | 0 | 0 | 113 | F113 A116 F129 L132 I166 L167 L168 N172 | F113-T170 HydrophobicContact CD1-CG2 4.04Å; F113-T170 HydrophobicContact CE1-CG2 4.37Å; A116-T170 HydrophobicContact CB-CG2 3.94Å; F129-T170 HydrophobicContact CD1-CG2 4.44Å; F129-T170 WeakPolarHBondContact CD1-O 3.45Å; F129-T170 HydrophobicContact CE1-CG2 4.39Å; L132-T170 HydrophobicContact CD1-CG2 3.91Å; I166-T170 HydrophobicContact CG2-CG2 4.15Å; I166-T170 WeakPolarHBondContact O-CB 3.28Å; I166-T170 WeakPolarHBondContact O-CG2 3.29Å; I166-T170 PolarHBondContact O-N 3.38Å; I166-T170 PolarHBondContact O-OG1 3.01Å; L167-T170 PolarHBondContact O-OG1 2.87Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.35Å; T170-N172 PolarHBondContact O-N 3.22Å; T170-N172 VanDerWaalsContact O-N 3.16Å; T170-N172 PolarHBondContact OG1-ND2 2.97Å |
| 171 | N | 89.5 | Confident | 88.8 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 30.3 | 179.8 | -161 | 48.1 | 0 | 0 | 0 | 113 | R120 P130 L167 L168 L169 Y173 | R120-N171 PolarHBondContact NE-O 3.3Å; R120-N171 VanDerWaalsContact NE-O 3.14Å; R120-N171 PolarHBondContact NH2-ND2 3.44Å; R120-N171 PolarHBondContact NH2-O 3.11Å; P130-N171 HydrophobicContact CG-CB 4.08Å; L167-N171 PolarHBondContact O-N 3.29Å; L168-N171 PolarHBondContact O-N 3.39Å; L168-N171 VanDerWaalsContact O-N 3.09Å; L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.14Å; N171-Y173 VanDerWaalsContact C-N 3.35Å |
| 172 | N | 89.1 | Confident | 88.3 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -74.9 | -32.9 | 164.1 | -80.4 | -78.5 | 0 | 0 | 0 | 110.1 | A116 L167 T170 | A116-N172 PolarHBondContact O-ND2 2.98Å; L167-N172 HydrophobicContact CB-CB 4.2Å; L167-N172 HydrophobicContact CD2-CB 3.65Å; L167-N172 WeakPolarHBondContact O-CB 3.39Å; L167-N172 PolarHBondContact O-N 3.24Å; T170-N172 PolarHBondContact O-N 3.22Å; T170-N172 VanDerWaalsContact O-N 3.16Å; T170-N172 PolarHBondContact OG1-ND2 2.97Å |
| 173 | Y | 90.4 | Very high | 87.8 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -118.3 | 148.4 | 167.4 | -61.5 | -29.4 | 0 | 0 | 0 | 111.3 | L167 N171 W179 Q185 L188 V189 | L167-Y173 HydrophobicContact CB-CD2 3.58Å; L167-Y173 HydrophobicContact CB-CE2 3.84Å; L167-Y173 HydrophobicContact CB-CG 4.22Å; L167-Y173 HydrophobicContact CD1-CD2 4.06Å; L167-Y173 HydrophobicContact CD1-CE2 3.39Å; L167-Y173 HydrophobicContact CG-CD2 4.44Å; L167-Y173 HydrophobicContact CG-CE2 4.2Å; L167-Y173 PolarHBondContact O-N 3.28Å; N171-Y173 VanDerWaalsContact C-N 3.35Å; Y173-W179 AromaticContact CD2-CH2 3.41Å; Y173-W179 HydrophobicContact CD2-CH2 3.41Å; Y173-W179 VanDerWaalsContact CD2-CH2 3.41Å; Y173-W179 AromaticContact CD2-CZ2 3.19Å; Y173-W179 HydrophobicContact CD2-CZ2 3.19Å; Y173-W179 AromaticContact CE2-CH2 3.84Å; Y173-W179 HydrophobicContact CE2-CH2 3.84Å; Y173-W179 AromaticContact CE2-CZ2 3.63Å; Y173-W179 HydrophobicContact CE2-CZ2 3.63Å; Y173-W179 HydrophobicContact CG-CH2 4.38Å; Y173-W179 AromaticContact CG-CZ2 3.84Å; Y173-W179 HydrophobicContact CG-CZ2 3.84Å; Y173-Q185 HydrophobicContact CD1-CG 4.14Å; Y173-Q185 HydrophobicContact CE1-CB 4.04Å; Y173-Q185 HydrophobicContact CE1-CG 3.64Å; Y173-Q185 HydrophobicContact CE2-CB 4.21Å; Y173-Q185 VanDerWaalsContact OH-CA 3.23Å; Y173-Q185 WeakPolarHBondContact OH-CA 3.36Å; Y173-Q185 PolarHBondContact OH-O 3.45Å; Y173-L188 HydrophobicContact CE1-CD2 4.44Å; Y173-L188 WeakPolarHBondContact OH-CB 3.4Å; Y173-L188 WeakPolarHBondContact OH-CD2 3.41Å; Y173-V189 HydrophobicContact CE2-CG2 3.84Å |
| 174 | P | 86 | Confident | 87.4 | Confident | 64 Ų | 64 | 51 Ų | 51 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | trans | -75.3 | 138.9 | -175.9 | 32.1 | -36.1 | 0 | 0 | 0 | 111.7 | L168 V176 | L168-P174 WeakPolarHBondContact CD2-O 3.19Å; P174-V176 HydrophobicContact CB-CG1 4.15Å; P174-V176 HydrophobicContact CG-CG1 4.38Å; P174-V176 PolarHBondContact O-N 3.06Å; P174-V176 VanDerWaalsContact O-N 3.16Å | ||
| 175 | L | 85.1 | Confident | 87.1 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | trans | -81.1 | 88.1 | 170.3 | -100.5 | 146.6 | 0 | 0 | 0 | 110.5 | F4 L131 L168 Y386 F390 | F4-L175 HydrophobicContact CD1-CD2 3.47Å; F4-L175 VanDerWaalsContact CD1-CD2 3.47Å; F4-L175 HydrophobicContact CE1-CD1 4.41Å; F4-L175 HydrophobicContact CE1-CD2 3.7Å; F4-L175 HydrophobicContact CG-CD2 4.09Å; F4-L175 HydrophobicContact CZ-CD2 4.49Å; L131-L175 HydrophobicContact CD1-CD1 3.4Å; L168-L175 HydrophobicContact CB-CG 4.49Å; L168-L175 HydrophobicContact CD2-CG 4.47Å; L175-Y386 HydrophobicContact CD2-CE2 4.43Å; L175-F390 HydrophobicContact CB-CZ 4.49Å; L175-F390 HydrophobicContact CD2-CE1 4.03Å; L175-F390 HydrophobicContact CD2-CZ 3.94Å | ||
| 176 | V | 83.6 | Confident | 87 | Confident | 57 Ų | 57 | 53 Ų | 53 | 35% | 0.345 | 28% | 0.277 | S | S | . | . | trans | -106.3 | 168.8 | 179 | -70.3 | 0 | 0 | 0 | 0 | 111.5 | P174 V178 W179 Y386 F390 | P174-V176 HydrophobicContact CB-CG1 4.15Å; P174-V176 HydrophobicContact CG-CG1 4.38Å; P174-V176 PolarHBondContact O-N 3.06Å; P174-V176 VanDerWaalsContact O-N 3.16Å; V176-V178 WeakPolarHBondContact CG2-O 3.47Å; V176-W179 HydrophobicContact CG2-CB 3.91Å; V176-Y386 WeakPolarHBondContact O-CE1 3.47Å; V176-Y386 VanDerWaalsContact O-CZ 3.22Å; V176-Y386 PolarHBondContact O-OH 2.91Å; V176-F390 WeakPolarHBondContact O-CE2 3.48Å | ||
| 177 | Q | 74.8 | Confident | 86.8 | Confident | 136 Ų | 136 | 60 Ų | 60 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -69.4 | -40.5 | 178 | -84.5 | -175.6 | -11.7 | 0 | 0 | 112.4 | F390 | Q177-F390 HydrophobicContact CG-CD2 3.73Å; Q177-F390 HydrophobicContact CG-CE2 4.06Å |
| 178 | V | 73.6 | Confident | 86.8 | Confident | 122 Ų | 122 | 62.4 Ų | 62.4 | 74% | 0.739 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -123.1 | 119.1 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 106.9 | V176 | V176-V178 WeakPolarHBondContact CG2-O 3.47Š|
| 179 | W | 73.6 | Confident | 87 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | trans | -109.8 | 104.6 | 173.4 | -178.9 | 31.5 | 0 | 0 | 0 | 107.8 | A164 L168 Y173 V176 I181 Y386 | A164-W179 HydrophobicContact CB-CH2 4.13Å; A164-W179 HydrophobicContact CB-CZ3 4.08Å; L168-W179 HydrophobicContact CD1-CE3 3.93Å; L168-W179 HydrophobicContact CD1-CZ3 3.79Å; L168-W179 HydrophobicContact CD2-CD2 4.37Å; L168-W179 HydrophobicContact CD2-CE3 4Å; L168-W179 HydrophobicContact CD2-CZ3 4.25Å; L168-W179 HydrophobicContact CG-CE3 4.27Å; L168-W179 HydrophobicContact CG-CZ3 4.08Å; Y173-W179 AromaticContact CD2-CH2 3.41Å; Y173-W179 HydrophobicContact CD2-CH2 3.41Å; Y173-W179 VanDerWaalsContact CD2-CH2 3.41Å; Y173-W179 AromaticContact CD2-CZ2 3.19Å; Y173-W179 HydrophobicContact CD2-CZ2 3.19Å; Y173-W179 AromaticContact CE2-CH2 3.84Å; Y173-W179 HydrophobicContact CE2-CH2 3.84Å; Y173-W179 AromaticContact CE2-CZ2 3.63Å; Y173-W179 HydrophobicContact CE2-CZ2 3.63Å; Y173-W179 HydrophobicContact CG-CH2 4.38Å; Y173-W179 AromaticContact CG-CZ2 3.84Å; Y173-W179 HydrophobicContact CG-CZ2 3.84Å; V176-W179 HydrophobicContact CG2-CB 3.91Å; W179-I181 HydrophobicContact CH2-CD1 3.75Å; W179-I181 HydrophobicContact CH2-CG1 4.19Å; W179-I181 HydrophobicContact CZ2-CB 4.01Å; W179-I181 HydrophobicContact CZ2-CD1 3.64Å; W179-I181 HydrophobicContact CZ2-CG1 3.59Å; W179-Y386 HydrophobicContact CB-CD1 3.31Å; W179-Y386 HydrophobicContact CB-CE1 3.79Å; W179-Y386 HydrophobicContact CB-CG 3.82Å; W179-Y386 HydrophobicContact CE3-CD1 4.49Å; W179-Y386 HydrophobicContact CE3-CD2 4.08Å; W179-Y386 AromaticContact CE3-CG 3.8Å; W179-Y386 HydrophobicContact CE3-CG 3.8Å; W179-Y386 HydrophobicContact CG-CD1 4.47Å | ||
| 180 | D | 78.6 | Confident | 87.2 | Confident | 145 Ų | 145 | 63 Ų | 63 | 78% | 0.775 | 32% | 0.324 | S | S | * | . | trans | -90 | 103.2 | 168 | -166.7 | 11 | 0 | 0 | 0 | 107.2 | D182 | D180-D182 PolarHBondContact O-N 2.85Š| ||
| 181 | I | 84.1 | Confident | 87.3 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.138 | 34% | 0.34 | C | S | . | . | trans | -70.2 | 116.7 | -174.1 | -169.3 | 175 | 0 | 0 | 0 | 109.5 | W179 Q185 V189 V384 | W179-I181 HydrophobicContact CH2-CD1 3.75Å; W179-I181 HydrophobicContact CH2-CG1 4.19Å; W179-I181 HydrophobicContact CZ2-CB 4.01Å; W179-I181 HydrophobicContact CZ2-CD1 3.64Å; W179-I181 HydrophobicContact CZ2-CG1 3.59Å; I181-Q185 HydrophobicContact CD1-CB 4.14Å; I181-Q185 HydrophobicContact CG1-CB 3.51Å; I181-V189 HydrophobicContact CD1-CB 4.45Å; I181-V189 HydrophobicContact CD1-CG2 3.8Å; I181-V384 HydrophobicContact CD1-CG1 3.62Å; I181-V384 HydrophobicContact CG2-CG1 3.92Å | ||
| 182 | D | 87.9 | Confident | 87.7 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 43% | 0.428 | 33% | 0.327 | S | S | . | . | trans | -74.2 | 172.8 | 179.4 | 72.5 | 42.9 | 0 | 0 | 0 | 112.1 | D180 V184 Q185 S186 | D180-D182 PolarHBondContact O-N 2.85Å; D182-V184 VanDerWaalsContact C-N 3.29Å; D182-V184 PolarHBondContact O-N 3.13Å; D182-V184 VanDerWaalsContact OD1-CA 3.31Å; D182-V184 WeakPolarHBondContact OD1-CA 2.92Å; D182-V184 VanDerWaalsContact OD1-CB 3.3Å; D182-V184 WeakPolarHBondContact OD1-CB 3.36Å; D182-V184 PolarHBondContact OD1-N 3.44Å; D182-Q185 PolarHBondContact O-N 2.92Å; D182-Q185 WeakPolarHBondContact OD1-CG 3.06Å; D182-Q185 PolarHBondContact OD1-N 2.97Å; D182-S186 VanDerWaalsContact O-CB 3.28Å; D182-S186 WeakPolarHBondContact O-CB 3.42Å; D182-S186 PolarHBondContact O-N 2.86Å; D182-S186 PolarHBondContact O-OG 3.41Å | ||
| 183 | R | 87.1 | Confident | 88.1 | Confident | 158 Ų | 158 | 61 Ų | 61 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.8 | -30.3 | 179.8 | -80.1 | -164.6 | -178.7 | -103.9 | -4.8 | 113.5 | K187 E230 | R183-K187 WeakPolarHBondContact O-CB 3.48Å; R183-K187 PolarHBondContact O-N 3.23Å; R183-E230 IonicContact CZ-OE1 2.82Å; R183-E230 IonicContact NH1-OE1 3.98Å; R183-E230 PolarHBondContact NH1-OE1 3.25Å; R183-E230 VanDerWaalsContact NH2-CD 3.29Å; R183-E230 IonicContact NH2-OE1 3.49Å; R183-E230 PolarHBondContact NH2-OE1 2.96Å; R183-E230 IonicContact NH2-OE2 2.81Å; R183-E230 PolarHBondContact NH2-OE2 3.04Å |
| 184 | V | 88.9 | Confident | 88.3 | Confident | 114 Ų | 114 | 64.4 Ų | 64.4 | 69% | 0.691 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -72.6 | -47 | 179.2 | 178 | 0 | 0 | 0 | 0 | 109.6 | D182 K187 L188 | D182-V184 VanDerWaalsContact C-N 3.29Å; D182-V184 PolarHBondContact O-N 3.13Å; D182-V184 VanDerWaalsContact OD1-CA 3.31Å; D182-V184 WeakPolarHBondContact OD1-CA 2.92Å; D182-V184 VanDerWaalsContact OD1-CB 3.3Å; D182-V184 WeakPolarHBondContact OD1-CB 3.36Å; D182-V184 PolarHBondContact OD1-N 3.44Å; V184-K187 WeakPolarHBondContact O-CB 3.42Å; V184-K187 PolarHBondContact O-N 3.33Å; V184-L188 PolarHBondContact O-N 3Å |
| 185 | Q | 92.1 | Very high | 88.7 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 175 | -65.5 | -178.2 | -34.4 | 0 | 0 | 110.8 | Y173 I181 D182 K187 L188 V189 | Y173-Q185 HydrophobicContact CD1-CG 4.14Å; Y173-Q185 HydrophobicContact CE1-CB 4.04Å; Y173-Q185 HydrophobicContact CE1-CG 3.64Å; Y173-Q185 HydrophobicContact CE2-CB 4.21Å; Y173-Q185 VanDerWaalsContact OH-CA 3.23Å; Y173-Q185 WeakPolarHBondContact OH-CA 3.36Å; Y173-Q185 PolarHBondContact OH-O 3.45Å; I181-Q185 HydrophobicContact CD1-CB 4.14Å; I181-Q185 HydrophobicContact CG1-CB 3.51Å; D182-Q185 PolarHBondContact O-N 2.92Å; D182-Q185 WeakPolarHBondContact OD1-CG 3.06Å; D182-Q185 PolarHBondContact OD1-N 2.97Å; Q185-K187 VanDerWaalsContact C-N 3.25Å; Q185-K187 PolarHBondContact O-N 2.94Å; Q185-L188 PolarHBondContact O-N 3.1Å; Q185-L188 VanDerWaalsContact O-N 3.13Å; Q185-V189 WeakPolarHBondContact O-CG2 3.29Å; Q185-V189 PolarHBondContact O-N 2.77Å |
| 186 | S | 93.4 | Very high | 89.2 | Confident | 8 Ų | 8 | 61 Ų | 61 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.2 | -38.1 | 175.2 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | D182 L188 V189 S190 T213 | D182-S186 VanDerWaalsContact O-CB 3.28Å; D182-S186 WeakPolarHBondContact O-CB 3.42Å; D182-S186 PolarHBondContact O-N 2.86Å; D182-S186 PolarHBondContact O-OG 3.41Å; S186-L188 PolarHBondContact O-N 3.4Å; S186-V189 PolarHBondContact O-N 2.96Å; S186-S190 WeakPolarHBondContact O-CB 3.4Å; S186-S190 PolarHBondContact O-N 3.14Å; S186-T213 WeakPolarHBondContact O-CG2 3.34Å |
| 187 | K | 93.7 | Very high | 89.7 | Confident | 149 Ų | 149 | 58.7 Ų | 58.7 | 65% | 0.648 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.9 | -41.2 | 178 | -170.6 | 177.1 | -179.3 | -178.9 | 0 | 112.2 | R183 V184 Q185 S191 Y214 | R183-K187 WeakPolarHBondContact O-CB 3.48Å; R183-K187 PolarHBondContact O-N 3.23Å; V184-K187 WeakPolarHBondContact O-CB 3.42Å; V184-K187 PolarHBondContact O-N 3.33Å; Q185-K187 VanDerWaalsContact C-N 3.25Å; Q185-K187 PolarHBondContact O-N 2.94Å; K187-S191 VanDerWaalsContact O-CB 3.3Å; K187-S191 WeakPolarHBondContact O-CB 3.27Å; K187-S191 PolarHBondContact O-N 3.15Å; K187-Y214 VanDerWaalsContact CA-OH 3.32Å; K187-Y214 WeakPolarHBondContact CA-OH 3.39Å; K187-Y214 PolarHBondContact N-OH 3.31Å |
| 188 | L | 95 | Very high | 90.5 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 176 | 175.8 | 61.7 | 0 | 0 | 0 | 111.2 | L119 L167 Y173 V184 Q185 S186 S191 L192 | L119-L188 HydrophobicContact CD1-CD1 4.07Å; L119-L188 HydrophobicContact CD1-CD2 3.87Å; L119-L188 HydrophobicContact CD1-CG 4.48Å; L167-L188 HydrophobicContact CD1-CD2 4.39Å; L167-L188 HydrophobicContact CD1-CG 4.38Å; L167-L188 HydrophobicContact CD2-CD2 4.36Å; Y173-L188 HydrophobicContact CE1-CD2 4.44Å; Y173-L188 WeakPolarHBondContact OH-CB 3.4Å; Y173-L188 WeakPolarHBondContact OH-CD2 3.41Å; V184-L188 PolarHBondContact O-N 3Å; Q185-L188 PolarHBondContact O-N 3.1Å; Q185-L188 VanDerWaalsContact O-N 3.13Å; S186-L188 PolarHBondContact O-N 3.4Å; L188-S191 PolarHBondContact O-N 2.71Å; L188-L192 HydrophobicContact CD1-CD1 3.93Å; L188-L192 HydrophobicContact CD1-CG 4.02Å; L188-L192 HydrophobicContact CG-CD1 4.22Å; L188-L192 PolarHBondContact O-N 3.26Å |
| 189 | V | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -52.5 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V160 T163 A164 L167 Y173 I181 Q185 S186 S191 L192 A193 T213 | V160-V189 HydrophobicContact CG1-CG1 3.89Å; T163-V189 HydrophobicContact CG2-CB 4.33Å; T163-V189 HydrophobicContact CG2-CG1 4.18Å; T163-V189 HydrophobicContact CG2-CG2 4.41Å; A164-V189 HydrophobicContact CB-CG1 4.49Å; A164-V189 HydrophobicContact CB-CG2 4.43Å; L167-V189 HydrophobicContact CD1-CG2 3.9Å; Y173-V189 HydrophobicContact CE2-CG2 3.84Å; I181-V189 HydrophobicContact CD1-CB 4.45Å; I181-V189 HydrophobicContact CD1-CG2 3.8Å; Q185-V189 WeakPolarHBondContact O-CG2 3.29Å; Q185-V189 PolarHBondContact O-N 2.77Å; S186-V189 PolarHBondContact O-N 2.96Å; V189-S191 VanDerWaalsContact C-N 3.29Å; V189-S191 PolarHBondContact O-N 3.08Å; V189-L192 PolarHBondContact O-N 3.08Å; V189-A193 WeakPolarHBondContact O-CB 3.46Å; V189-A193 PolarHBondContact O-N 2.97Å; V189-T213 HydrophobicContact CB-CG2 4.07Å; V189-T213 HydrophobicContact CG1-CG2 3.92Å |
| 190 | S | 95.6 | Very high | 92 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 112 | S186 R194 T213 | S186-S190 WeakPolarHBondContact O-CB 3.4Å; S186-S190 PolarHBondContact O-N 3.14Å; S190-R194 VanDerWaalsContact O-CB 3.29Å; S190-R194 WeakPolarHBondContact O-CB 3.37Å; S190-R194 PolarHBondContact O-N 3.14Å; S190-T213 WeakPolarHBondContact CA-OG1 3.36Å |
| 191 | S | 94.7 | Very high | 92.2 | Very high | 47 Ų | 47 | 47 Ų | 47 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.6 | -49.2 | 179.1 | -174.3 | 0 | 0 | 0 | 0 | 112.8 | K187 L188 V189 R194 D195 | K187-S191 VanDerWaalsContact O-CB 3.3Å; K187-S191 WeakPolarHBondContact O-CB 3.27Å; K187-S191 PolarHBondContact O-N 3.15Å; L188-S191 PolarHBondContact O-N 2.71Å; V189-S191 VanDerWaalsContact C-N 3.29Å; V189-S191 PolarHBondContact O-N 3.08Å; S191-R194 WeakPolarHBondContact O-CB 3.36Å; S191-R194 PolarHBondContact O-N 3.32Å; S191-D195 PolarHBondContact O-N 3.28Å; S191-D195 VanDerWaalsContact O-N 3.11Å |
| 192 | L | 96.7 | Very high | 92 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 178.6 | -71.8 | 176.7 | 0 | 0 | 0 | 111.4 | L112 R115 L119 T163 L167 L188 V189 R194 D195 A196 | L112-L192 HydrophobicContact CD2-CB 4.02Å; R115-L192 HydrophobicContact CB-CD2 3.93Å; R115-L192 HydrophobicContact CG-CD2 4.29Å; L119-L192 HydrophobicContact CD1-CD1 4.18Å; T163-L192 HydrophobicContact CG2-CB 3.62Å; T163-L192 HydrophobicContact CG2-CD1 4.05Å; T163-L192 HydrophobicContact CG2-CG 4.48Å; L167-L192 HydrophobicContact CD1-CD1 4.34Å; L167-L192 HydrophobicContact CD2-CD1 4.19Å; L188-L192 HydrophobicContact CD1-CD1 3.93Å; L188-L192 HydrophobicContact CD1-CG 4.02Å; L188-L192 HydrophobicContact CG-CD1 4.22Å; L188-L192 PolarHBondContact O-N 3.26Å; V189-L192 PolarHBondContact O-N 3.08Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 3.35Å; L192-D195 PolarHBondContact O-N 3.29Å; L192-A196 PolarHBondContact O-N 3.18Å |
| 193 | A | 97.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V160 T163 V189 A196 E197 | V160-A193 HydrophobicContact CB-CB 4.32Å; V160-A193 HydrophobicContact CG2-CB 3.55Å; T163-A193 PolarHBondContact OG1-N 3.01Å; V189-A193 WeakPolarHBondContact O-CB 3.46Å; V189-A193 PolarHBondContact O-N 2.97Å; A193-A196 PolarHBondContact O-N 3.07Å; A193-E197 WeakPolarHBondContact O-CB 3.37Å; A193-E197 WeakPolarHBondContact O-CG 3.42Å; A193-E197 PolarHBondContact O-N 3.09Å |
| 194 | R | 95 | Very high | 91.3 | Very high | 88 Ų | 88 | 46.1 Ų | 46.1 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 172.6 | -175 | -174.5 | 53.9 | 54.3 | 13.5 | 111.5 | S190 S191 L192 E197 C198 S209 | S190-R194 VanDerWaalsContact O-CB 3.29Å; S190-R194 WeakPolarHBondContact O-CB 3.37Å; S190-R194 PolarHBondContact O-N 3.14Å; S191-R194 WeakPolarHBondContact O-CB 3.36Å; S191-R194 PolarHBondContact O-N 3.32Å; L192-R194 VanDerWaalsContact C-N 3.31Å; L192-R194 PolarHBondContact O-N 3.35Å; R194-E197 WeakPolarHBondContact O-CB 3.33Å; R194-E197 PolarHBondContact O-N 2.78Å; R194-C198 PolarHBondContact O-N 2.7Å; R194-C198 PolarHBondContact O-SG 3.12Å; R194-S209 WeakPolarHBondContact CB-OG 3.21Å |
| 195 | D | 94.9 | Very high | 91 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 176.4 | -68.5 | -7.3 | 0 | 0 | 0 | 110.7 | Y111 R115 S191 L192 E197 C198 | Y111-D195 HydrophobicContact CE1-CB 4.08Å; R115-D195 IonicContact CZ-OD2 3.84Å; R115-D195 IonicContact NH1-OD2 2.93Å; R115-D195 PolarHBondContact NH1-OD2 3.36Å; R115-D195 IonicContact NH2-OD2 3.85Å; S191-D195 PolarHBondContact O-N 3.28Å; S191-D195 VanDerWaalsContact O-N 3.11Å; L192-D195 PolarHBondContact O-N 3.29Å; D195-E197 PolarHBondContact O-N 2.84Å; D195-C198 WeakPolarHBondContact O-CB 3.26Å; D195-C198 PolarHBondContact O-N 2.85Å; D195-C198 VanDerWaalsContact O-N 3.14Å |
| 196 | A | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | V108 L112 L192 A193 C198 I199 I200 | V108-A196 HydrophobicContact CG1-CB 3.73Å; L112-A196 HydrophobicContact CD1-CB 4.26Å; L112-A196 HydrophobicContact CD2-CB 4.18Å; L112-A196 HydrophobicContact CG-CB 4.29Å; L192-A196 PolarHBondContact O-N 3.18Å; A193-A196 PolarHBondContact O-N 3.07Å; A196-C198 PolarHBondContact O-N 2.97Å; A196-I199 VanDerWaalsContact O-CB 3.26Å; A196-I199 WeakPolarHBondContact O-CB 3.45Å; A196-I199 PolarHBondContact O-N 3.48Å; A196-I200 PolarHBondContact O-N 2.86Å |
| 197 | E | 93.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -32.5 | 173.9 | -86.7 | -84.7 | 104.7 | 0 | 0 | 112.7 | S155 G156 A193 R194 D195 I199 I200 H201 | S155-E197 WeakPolarHBondContact CA-OE1 3.43Å; S155-E197 WeakPolarHBondContact CB-OE1 3.39Å; S155-E197 PolarHBondContact OG-OE1 3.38Å; G156-E197 PolarHBondContact N-OE1 2.94Å; G156-E197 VanDerWaalsContact N-OE1 3.07Å; A193-E197 WeakPolarHBondContact O-CB 3.37Å; A193-E197 WeakPolarHBondContact O-CG 3.42Å; A193-E197 PolarHBondContact O-N 3.09Å; R194-E197 WeakPolarHBondContact O-CB 3.33Å; R194-E197 PolarHBondContact O-N 2.78Å; D195-E197 PolarHBondContact O-N 2.84Å; E197-I199 PolarHBondContact O-N 3.06Å; E197-I200 PolarHBondContact O-N 2.87Å; E197-H201 PolarHBondContact O-N 2.76Å; E197-H201 IonicContact OE1-CD2 3Å; E197-H201 IonicContact OE1-NE2 3.28Å; E197-H201 IonicContact OE2-CD2 2.96Å |
| 198 | C | 91.7 | Very high | 90.7 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 28% | 0.277 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.8 | -24 | 173.8 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | R194 D195 A196 G202 S204 | R194-C198 PolarHBondContact O-N 2.7Å; R194-C198 PolarHBondContact O-SG 3.12Å; D195-C198 WeakPolarHBondContact O-CB 3.26Å; D195-C198 PolarHBondContact O-N 2.85Å; D195-C198 VanDerWaalsContact O-N 3.14Å; A196-C198 PolarHBondContact O-N 2.97Å; C198-G202 CarbonylContact O-C 3.53Å; C198-G202 WeakPolarHBondContact O-CA 3.35Å; C198-G202 PolarHBondContact O-N 2.82Å; C198-S204 PolarHBondContact SG-N 3.43Å; C198-S204 VanDerWaalsContact SG-N 3.42Å |
| 199 | I | 91.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.2 | -38.7 | 174.1 | -51.9 | 178.9 | 0 | 0 | 0 | 110.1 | L78 W82 V108 Y111 A196 E197 | L78-I199 HydrophobicContact CD1-CB 4.43Å; L78-I199 HydrophobicContact CD1-CD1 3.84Å; L78-I199 HydrophobicContact CD1-CG1 3.72Å; L78-I199 HydrophobicContact CD1-CG2 4.04Å; W82-I199 HydrophobicContact CZ2-CG2 3.98Å; V108-I199 HydrophobicContact CG2-CB 4.1Å; V108-I199 HydrophobicContact CG2-CD1 4.44Å; V108-I199 HydrophobicContact CG2-CG2 4.25Å; Y111-I199 HydrophobicContact CD1-CD1 3.63Å; Y111-I199 HydrophobicContact CD2-CD1 3.62Å; Y111-I199 HydrophobicContact CE1-CD1 4.18Å; Y111-I199 HydrophobicContact CE2-CD1 4.17Å; Y111-I199 HydrophobicContact CG-CD1 3.33Å; A196-I199 VanDerWaalsContact O-CB 3.26Å; A196-I199 WeakPolarHBondContact O-CB 3.45Å; A196-I199 PolarHBondContact O-N 3.48Å; E197-I199 PolarHBondContact O-N 3.06Å |
| 200 | I | 88.2 | Confident | 90.5 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -74.1 | -46.4 | -178.1 | -54.4 | 174.8 | 0 | 0 | 0 | 110.9 | V104 V108 F158 A196 E197 | V104-I200 HydrophobicContact CG1-CB 4.24Å; V104-I200 HydrophobicContact CG1-CG1 3.88Å; V104-I200 HydrophobicContact CG1-CG2 4.28Å; V108-I200 HydrophobicContact CG2-CD1 4.09Å; V108-I200 HydrophobicContact CG2-CG1 3.73Å; F158-I200 HydrophobicContact CD1-CD1 4.49Å; A196-I200 PolarHBondContact O-N 2.86Å; E197-I200 PolarHBondContact O-N 2.87Å |
| 201 | H | 81.7 | Confident | 90.5 | Very high | 91 Ų | 91 | 33.5 Ų | 33.5 | 42% | 0.421 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -116.3 | 2.2 | -169.3 | -61.2 | -66.5 | 0 | 0 | 0 | 114.5 | S155 E197 K203 | S155-H201 PolarHBondContact OG-NE2 3.39Å; E197-H201 PolarHBondContact O-N 2.76Å; E197-H201 IonicContact OE1-CD2 3Å; E197-H201 IonicContact OE1-NE2 3.28Å; E197-H201 IonicContact OE2-CD2 2.96Å; H201-K203 PolarHBondContact O-N 3.27Å |
| 202 | G | 80.6 | Confident | 90.6 | Very high | 61 Ų | 61 | 31.3 Ų | 31.3 | 63% | 0.629 | 17% | 0.173 | S | C | * | . | S | Bend | trans | 77 | -48.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | C198 | C198-G202 CarbonylContact O-C 3.53Å; C198-G202 WeakPolarHBondContact O-CA 3.35Å; C198-G202 PolarHBondContact O-N 2.82Å |
| 203 | K | 79.3 | Confident | 90.6 | Very high | 165 Ų | 165 | 31.2 Ų | 31.2 | 72% | 0.717 | 17% | 0.173 | S | C | * | . | trans | -134.3 | 123.1 | 178 | -170.9 | 172.5 | -176.7 | 171.2 | 0 | 111.3 | H201 | H201-K203 PolarHBondContact O-N 3.27Š| ||
| 204 | S | 81.4 | Confident | 90.5 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | trans | -99.5 | 140.2 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | C198 G206 | C198-S204 PolarHBondContact SG-N 3.43Å; C198-S204 VanDerWaalsContact SG-N 3.42Å; S204-G206 PolarHBondContact OG-N 2.87Å; S204-G206 VanDerWaalsContact OG-N 3.12Å | ||
| 205 | S | 82.1 | Confident | 90.5 | Very high | 60 Ų | 60 | 29.6 Ų | 29.6 | 42% | 0.42 | 17% | 0.168 | S | C | . | . | trans | -73.6 | -19.7 | 167.2 | 62 | 0 | 0 | 0 | 0 | 112.1 | L207 F220 | S205-L207 VanDerWaalsContact C-N 3.26Å; S205-L207 WeakPolarHBondContact OG-CB 3.31Å; S205-L207 PolarHBondContact OG-N 3.28Å; S205-F220 WeakPolarHBondContact O-CZ 3.34Å | ||
| 206 | G | 87.7 | Confident | 90.5 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 81.3 | -4.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S204 S209 T210 | S204-G206 PolarHBondContact OG-N 2.87Å; S204-G206 VanDerWaalsContact OG-N 3.12Å; G206-S209 PolarHBondContact O-OG 3.12Å; G206-T210 WeakPolarHBondContact O-CB 3.23Å; G206-T210 PolarHBondContact O-N 2.84Å; G206-T210 VanDerWaalsContact O-N 3.09Å; G206-T210 PolarHBondContact O-OG1 3.21Å |
| 207 | L | 91.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -54.5 | 176 | 175.1 | 65.9 | 0 | 0 | 0 | 110.8 | I13 A28 S205 T210 I211 I218 F220 | I13-L207 HydrophobicContact CD1-CD2 3.94Å; I13-L207 HydrophobicContact CG1-CD2 4.12Å; A28-L207 HydrophobicContact CB-CD1 3.86Å; A28-L207 HydrophobicContact CB-CD2 4.38Å; A28-L207 HydrophobicContact CB-CG 4.45Å; S205-L207 VanDerWaalsContact C-N 3.26Å; S205-L207 WeakPolarHBondContact OG-CB 3.31Å; S205-L207 PolarHBondContact OG-N 3.28Å; L207-T210 PolarHBondContact O-N 3.5Å; L207-I211 WeakPolarHBondContact O-CG2 3.5Å; L207-I211 PolarHBondContact O-N 3.02Å; L207-I218 HydrophobicContact CD1-CD1 4.11Å; L207-F220 HydrophobicContact CB-CD1 4.37Å; L207-F220 HydrophobicContact CB-CD2 4.39Å; L207-F220 HydrophobicContact CB-CE1 4.49Å; L207-F220 HydrophobicContact CB-CG 4.32Å; L207-F220 HydrophobicContact CD1-CB 3.48Å; L207-F220 VanDerWaalsContact CD1-CB 3.48Å; L207-F220 HydrophobicContact CD1-CD1 4.27Å; L207-F220 HydrophobicContact CD1-CD2 3.98Å; L207-F220 HydrophobicContact CD1-CG 3.65Å |
| 208 | D | 92.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 29 Ų | 29 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -44.9 | -172.3 | -71.7 | 14.5 | 0 | 0 | 0 | 111.1 | K11 G153 T210 I211 C212 | K11-D208 VanDerWaalsContact CE-CG 3.48Å; K11-D208 WeakPolarHBondContact CE-OD1 3.1Å; K11-D208 WeakPolarHBondContact CE-OD2 2.83Å; K11-D208 IonicContact NZ-OD1 3.82Å; K11-D208 PolarHBondContact NZ-OD1 3.45Å; K11-D208 IonicContact NZ-OD2 3.94Å; K11-D208 PolarHBondContact NZ-OD2 3.28Å; G153-D208 WeakPolarHBondContact CA-OD2 3.24Å; D208-T210 VanDerWaalsContact C-N 3.31Å; D208-T210 PolarHBondContact O-N 2.98Å; D208-I211 WeakPolarHBondContact O-CG2 3.37Å; D208-C212 VanDerWaalsContact O-CB 3.23Å; D208-C212 WeakPolarHBondContact O-CB 3.41Å; D208-C212 PolarHBondContact O-N 2.89Å; D208-C212 PolarHBondContact O-SG 2.94Å |
| 209 | S | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 175.2 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | V160 R194 G206 T213 | V160-S209 WeakPolarHBondContact CG2-O 3.31Å; R194-S209 WeakPolarHBondContact CB-OG 3.21Å; G206-S209 PolarHBondContact O-OG 3.12Å; S209-T213 VanDerWaalsContact O-CB 3.28Å; S209-T213 WeakPolarHBondContact O-CB 3.47Å; S209-T213 PolarHBondContact O-N 3Å; S209-T213 PolarHBondContact O-OG1 3.25Å |
| 210 | T | 94.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 27 Ų | 27 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -55.9 | 178.8 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | G206 L207 D208 C212 T213 Y214 I218 F228 | G206-T210 WeakPolarHBondContact O-CB 3.23Å; G206-T210 PolarHBondContact O-N 2.84Å; G206-T210 VanDerWaalsContact O-N 3.09Å; G206-T210 PolarHBondContact O-OG1 3.21Å; L207-T210 PolarHBondContact O-N 3.5Å; D208-T210 VanDerWaalsContact C-N 3.31Å; D208-T210 PolarHBondContact O-N 2.98Å; T210-C212 VanDerWaalsContact C-N 3.31Å; T210-C212 PolarHBondContact O-N 3.1Å; T210-T213 PolarHBondContact O-N 2.86Å; T210-Y214 HydrophobicContact CG2-CD2 3.72Å; T210-Y214 HydrophobicContact CG2-CE2 4.07Å; T210-Y214 VanDerWaalsContact O-CD2 3.24Å; T210-Y214 WeakPolarHBondContact O-CD2 3.41Å; T210-Y214 PolarHBondContact O-N 2.92Å; T210-I218 HydrophobicContact CG2-CD1 3.85Å; T210-F228 HydrophobicContact CG2-CB 4.3Å; T210-F228 HydrophobicContact CG2-CD1 3.46Å; T210-F228 VanDerWaalsContact CG2-CD1 3.46Å; T210-F228 HydrophobicContact CG2-CD2 4.11Å; T210-F228 HydrophobicContact CG2-CE1 3.67Å; T210-F228 HydrophobicContact CG2-CE2 4.28Å; T210-F228 HydrophobicContact CG2-CG 3.69Å; T210-F228 HydrophobicContact CG2-CZ 4.08Å |
| 211 | I | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -37.3 | -177.8 | -167.8 | 60 | 0 | 0 | 0 | 112.1 | K11 A30 L207 D208 T213 G215 G216 I218 | K11-I211 HydrophobicContact CB-CB 4.35Å; K11-I211 HydrophobicContact CB-CG1 4.02Å; K11-I211 HydrophobicContact CB-CG2 3.37Å; K11-I211 HydrophobicContact CG-CG2 3.71Å; A30-I211 HydrophobicContact CB-CD1 4.21Å; A30-I211 HydrophobicContact CB-CG1 4.09Å; L207-I211 WeakPolarHBondContact O-CG2 3.5Å; L207-I211 PolarHBondContact O-N 3.02Å; D208-I211 WeakPolarHBondContact O-CG2 3.37Å; I211-T213 VanDerWaalsContact C-N 3.27Å; I211-T213 PolarHBondContact O-N 2.99Å; I211-G215 VanDerWaalsContact O-CA 3.28Å; I211-G215 WeakPolarHBondContact O-CA 3.33Å; I211-G215 PolarHBondContact O-N 2.88Å; I211-G216 WeakPolarHBondContact CD1-O 3.37Å; I211-I218 HydrophobicContact CB-CD1 4.01Å; I211-I218 HydrophobicContact CD1-CD1 4.03Å; I211-I218 HydrophobicContact CD1-CG1 3.96Å; I211-I218 HydrophobicContact CD1-CG2 4.04Å |
| 212 | C | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.5 | -27.3 | 176.8 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | A8 P9 A157 V160 D208 T210 G383 V384 | A8-C212 HydrophobicContact CB-CB 4.45Å; P9-C212 WeakPolarHBondContact CD-O 3.38Å; P9-C212 PolarHBondContact O-SG 2.89Å; A157-C212 PolarHBondContact N-SG 2.77Å; V160-C212 HydrophobicContact CB-CB 4.17Å; V160-C212 HydrophobicContact CG2-CB 3.77Å; D208-C212 VanDerWaalsContact O-CB 3.23Å; D208-C212 WeakPolarHBondContact O-CB 3.41Å; D208-C212 PolarHBondContact O-N 2.89Å; D208-C212 PolarHBondContact O-SG 2.94Å; T210-C212 VanDerWaalsContact C-N 3.31Å; T210-C212 PolarHBondContact O-N 3.1Å; C212-G383 CarbonylContact O-C 3.47Å; C212-V384 PolarHBondContact O-N 3.27Å |
| 213 | T | 96.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -80.5 | -51.8 | 177.5 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | V160 S186 V189 S190 S209 T210 I211 G383 V384 | V160-T213 VanDerWaalsContact CG2-OG1 3.27Å; V160-T213 WeakPolarHBondContact CG2-OG1 3.09Å; S186-T213 WeakPolarHBondContact O-CG2 3.34Å; V189-T213 HydrophobicContact CB-CG2 4.07Å; V189-T213 HydrophobicContact CG1-CG2 3.92Å; S190-T213 WeakPolarHBondContact CA-OG1 3.36Å; S209-T213 VanDerWaalsContact O-CB 3.28Å; S209-T213 WeakPolarHBondContact O-CB 3.47Å; S209-T213 PolarHBondContact O-N 3Å; S209-T213 PolarHBondContact O-OG1 3.25Å; T210-T213 PolarHBondContact O-N 2.86Å; I211-T213 VanDerWaalsContact C-N 3.27Å; I211-T213 PolarHBondContact O-N 2.99Å; T213-G383 CarbonylContact O-C 3.09Å; T213-G383 WeakPolarHBondContact O-CA 3.32Å; T213-V384 HydrophobicContact CG2-CG1 4.35Å; T213-V384 PolarHBondContact O-N 3.43Å |
| 214 | Y | 95 | Very high | 91.3 | Very high | 53 Ų | 53 | 26.9 Ų | 26.9 | 21% | 0.208 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -88.1 | -28 | -171.9 | -65.2 | -79.9 | 0 | 0 | 0 | 113.1 | K187 T210 F228 | K187-Y214 VanDerWaalsContact CA-OH 3.32Å; K187-Y214 WeakPolarHBondContact CA-OH 3.39Å; K187-Y214 PolarHBondContact N-OH 3.31Å; T210-Y214 HydrophobicContact CG2-CD2 3.72Å; T210-Y214 HydrophobicContact CG2-CE2 4.07Å; T210-Y214 VanDerWaalsContact O-CD2 3.24Å; T210-Y214 WeakPolarHBondContact O-CD2 3.41Å; T210-Y214 PolarHBondContact O-N 2.92Å; Y214-F228 HydrophobicContact CD1-CZ 4.2Å; Y214-F228 HydrophobicContact CD2-CE1 4.13Å; Y214-F228 HydrophobicContact CD2-CE2 4.2Å; Y214-F228 AromaticContact CD2-CZ 3.61Å; Y214-F228 HydrophobicContact CD2-CZ 3.61Å; Y214-F228 HydrophobicContact CE1-CZ 4.17Å; Y214-F228 AromaticContact CE2-CE1 3.8Å; Y214-F228 HydrophobicContact CE2-CE1 3.8Å; Y214-F228 AromaticContact CE2-CZ 3.59Å; Y214-F228 HydrophobicContact CE2-CZ 3.59Å; Y214-F228 HydrophobicContact CG-CE2 4.29Å; Y214-F228 AromaticContact CG-CZ 3.95Å; Y214-F228 HydrophobicContact CG-CZ 3.95Å; Y214-F228 AromaticContact CZ-CZ 3.88Å |
| 215 | G | 95.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | 72.2 | -161.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I211 A381 G383 | I211-G215 VanDerWaalsContact O-CA 3.28Å; I211-G215 WeakPolarHBondContact O-CA 3.33Å; I211-G215 PolarHBondContact O-N 2.88Å; G215-A381 CarbonylContact C-O 3.56Å; G215-A381 WeakPolarHBondContact CA-O 3.31Å; G215-G383 VanDerWaalsContact CA-N 3.33Å; G215-G383 VanDerWaalsContact N-CA 3.31Å |
| 216 | G | 94.9 | Very high | 91.7 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 67.3 | -155.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T29 A30 I211 A381 | T29-G216 CarbonylContact C-O 3.5Å; T29-G216 WeakPolarHBondContact CA-O 3.13Å; T29-G216 PolarHBondContact OG1-O 3.09Å; A30-G216 PolarHBondContact N-O 3.29Å; I211-G216 WeakPolarHBondContact CD1-O 3.37Å; G216-A381 PolarHBondContact N-O 3.14Å |
| 217 | T | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.5 | 170.2 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | V27 A28 T29 I231 I233 E380 | V27-T217 HydrophobicContact CG1-CG2 3.8Å; A28-T217 WeakPolarHBondContact O-CA 3.28Å; T29-T217 WeakPolarHBondContact CB-OG1 3.44Å; T29-T217 PolarHBondContact OG1-OG1 3.31Å; T217-I231 PolarHBondContact O-N 3.47Å; T217-I233 HydrophobicContact CG2-CD1 4Å; T217-I233 WeakPolarHBondContact OG1-CD1 3.33Å; T217-E380 WeakPolarHBondContact OG1-CG 3.41Å |
| 218 | I | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145.6 | 179.7 | 72.3 | -177.7 | 0 | 0 | 0 | 111.6 | V27 A28 L207 T210 I211 F228 Q229 E230 | V27-I218 WeakPolarHBondContact CA-O 3.38Å; A28-I218 PolarHBondContact N-O 3.37Å; A28-I218 PolarHBondContact O-N 2.99Å; L207-I218 HydrophobicContact CD1-CD1 4.11Å; T210-I218 HydrophobicContact CG2-CD1 3.85Å; I211-I218 HydrophobicContact CB-CD1 4.01Å; I211-I218 HydrophobicContact CD1-CD1 4.03Å; I211-I218 HydrophobicContact CD1-CG1 3.96Å; I211-I218 HydrophobicContact CD1-CG2 4.04Å; I218-F228 HydrophobicContact CB-CB 4.4Å; I218-F228 HydrophobicContact CB-CD2 4.17Å; I218-F228 HydrophobicContact CD1-CB 4.23Å; I218-F228 HydrophobicContact CG2-CD2 3.83Å; I218-F228 HydrophobicContact CG2-CE2 4.38Å; I218-Q229 CarbonylContact C-O 3.59Å; I218-Q229 VanDerWaalsContact CA-O 3.24Å; I218-Q229 WeakPolarHBondContact CA-O 3.33Å; I218-E230 HydrophobicContact CG2-CG 4.38Å |
| 219 | V | 95.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.7 | 154.1 | -172.1 | 0 | 0 | 0 | 0 | 107.4 | P25 A26 V27 R221 F228 Q229 I231 I285 | P25-V219 HydrophobicContact CB-CG1 3.89Å; A26-V219 CarbonylContact O-C 3.55Å; A26-V219 WeakPolarHBondContact O-CA 3.49Å; V27-V219 HydrophobicContact CG2-CG2 4.46Å; V219-R221 HydrophobicContact CG1-CG 4.34Å; V219-F228 CarbonylContact O-C 3.59Å; V219-F228 WeakPolarHBondContact O-CA 3.1Å; V219-F228 WeakPolarHBondContact O-CB 3.5Å; V219-Q229 PolarHBondContact N-O 2.99Å; V219-Q229 PolarHBondContact O-N 3.22Å; V219-I231 HydrophobicContact CG2-CD1 3.2Å; V219-I231 HydrophobicContact CG2-CG1 3.71Å; V219-I285 HydrophobicContact CB-CD1 4.32Å; V219-I285 HydrophobicContact CG1-CD1 3.67Å; V219-I285 HydrophobicContact CG2-CD1 3.62Å; V219-I285 HydrophobicContact CG2-CG1 3.72Å; V219-I285 HydrophobicContact CG2-CG2 4.31Å |
| 220 | F | 94 | Very high | 91.7 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.3 | 174.2 | -175.3 | -91.2 | 0 | 0 | 0 | 110 | V20 P25 A26 S205 L207 K222 L227 F228 | V20-F220 HydrophobicContact CG2-CD1 3.76Å; V20-F220 HydrophobicContact CG2-CE1 4.25Å; P25-F220 WeakPolarHBondContact CA-O 3.44Å; A26-F220 PolarHBondContact N-O 2.9Å; A26-F220 PolarHBondContact O-N 2.93Å; S205-F220 WeakPolarHBondContact O-CZ 3.34Å; L207-F220 HydrophobicContact CB-CD1 4.37Å; L207-F220 HydrophobicContact CB-CD2 4.39Å; L207-F220 HydrophobicContact CB-CE1 4.49Å; L207-F220 HydrophobicContact CB-CG 4.32Å; L207-F220 HydrophobicContact CD1-CB 3.48Å; L207-F220 VanDerWaalsContact CD1-CB 3.48Å; L207-F220 HydrophobicContact CD1-CD1 4.27Å; L207-F220 HydrophobicContact CD1-CD2 3.98Å; L207-F220 HydrophobicContact CD1-CG 3.65Å; F220-K222 HydrophobicContact CE1-CB 3.99Å; F220-L227 WeakPolarHBondContact CD2-O 3.46Å; F220-L227 HydrophobicContact CE2-CB 4.49Å; F220-F228 HydrophobicContact CD2-CB 4.32Å |
| 221 | R | 92 | Very high | 91.4 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 110.2 | 176.5 | -66.1 | -178.9 | -179.5 | -83 | -2.9 | 108.3 | P25 V219 Q224 L227 D282 | P25-R221 HydrophobicContact CB-CG 4.09Å; V219-R221 HydrophobicContact CG1-CG 4.34Å; R221-Q224 HydrophobicContact CB-CB 3.99Å; R221-L227 PolarHBondContact N-O 3.39Å; R221-D282 IonicContact NH2-OD1 3.21Å; R221-D282 PolarHBondContact NH2-OD1 3.26Å |
| 222 | K | 83.6 | Confident | 90.8 | Very high | 44 Ų | 44 | 55.9 Ų | 55.9 | 19% | 0.191 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 137 | 179.9 | -168.8 | -172.4 | 161.7 | -161.1 | 0 | 109.7 | V20 V21 F220 Q224 | V20-K222 HydrophobicContact CG2-CB 4.26Å; V20-K222 WeakPolarHBondContact O-CB 3.15Å; V21-K222 PolarHBondContact O-NZ 2.94Å; F220-K222 HydrophobicContact CE1-CB 3.99Å; K222-Q224 PolarHBondContact O-N 2.58Å; K222-Q224 VanDerWaalsContact O-N 3.11Å |
| 223 | D | 81.5 | Confident | 90.1 | Very high | 139 Ų | 139 | 56.2 Ų | 56.2 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19 | 175.8 | -50.7 | -39.8 | 0 | 0 | 0 | 114.7 | ||
| 224 | Q | 84 | Confident | 89.1 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -120.9 | 147 | 174.2 | -66.8 | -173.9 | -23.4 | 0 | 0 | 110.4 | R221 K222 P226 L227 | R221-Q224 HydrophobicContact CB-CB 3.99Å; K222-Q224 PolarHBondContact O-N 2.58Å; K222-Q224 VanDerWaalsContact O-N 3.11Å; Q224-P226 CarbonylContact O-C 3.21Å; Q224-L227 WeakPolarHBondContact O-CA 3.35Å; Q224-L227 PolarHBondContact O-N 2.89Å; Q224-L227 VanDerWaalsContact O-N 3.16Å |
| 225 | L | 84.8 | Confident | 88 | Confident | 162 Ų | 162 | 58.9 Ų | 58.9 | 85% | 0.848 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -107.4 | 131.9 | 174.1 | -70.8 | 175.7 | 0 | 0 | 0 | 110.1 | L227 | L225-L227 HydrophobicContact CD2-CG 4.33Š|
| 226 | P | 86.5 | Confident | 87.2 | Confident | 100 Ų | 100 | 60 Ų | 60 | 65% | 0.649 | 32% | 0.316 | S | S | * | . | S | Bend | cis | -67 | 146.1 | -6.3 | 31.2 | -35.5 | 0 | 0 | 0 | 111.9 | Q224 F228 | Q224-P226 CarbonylContact O-C 3.21Å; P226-F228 PolarHBondContact O-N 2.75Å |
| 227 | L | 85.8 | Confident | 86.5 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -61.6 | -28.7 | -179.8 | -80.9 | 162.9 | 0 | 0 | 0 | 112.6 | F220 R221 Q224 L225 | F220-L227 WeakPolarHBondContact CD2-O 3.46Å; F220-L227 HydrophobicContact CE2-CB 4.49Å; R221-L227 PolarHBondContact N-O 3.39Å; Q224-L227 WeakPolarHBondContact O-CA 3.35Å; Q224-L227 PolarHBondContact O-N 2.89Å; Q224-L227 VanDerWaalsContact O-N 3.16Å; L225-L227 HydrophobicContact CD2-CG 4.33Å |
| 228 | F | 93.1 | Very high | 85.9 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160.3 | 176.4 | 75.7 | -80.6 | 0 | 0 | 0 | 111.9 | T210 Y214 I218 V219 F220 P226 E230 | T210-F228 HydrophobicContact CG2-CB 4.3Å; T210-F228 HydrophobicContact CG2-CD1 3.46Å; T210-F228 VanDerWaalsContact CG2-CD1 3.46Å; T210-F228 HydrophobicContact CG2-CD2 4.11Å; T210-F228 HydrophobicContact CG2-CE1 3.67Å; T210-F228 HydrophobicContact CG2-CE2 4.28Å; T210-F228 HydrophobicContact CG2-CG 3.69Å; T210-F228 HydrophobicContact CG2-CZ 4.08Å; Y214-F228 HydrophobicContact CD1-CZ 4.2Å; Y214-F228 HydrophobicContact CD2-CE1 4.13Å; Y214-F228 HydrophobicContact CD2-CE2 4.2Å; Y214-F228 AromaticContact CD2-CZ 3.61Å; Y214-F228 HydrophobicContact CD2-CZ 3.61Å; Y214-F228 HydrophobicContact CE1-CZ 4.17Å; Y214-F228 AromaticContact CE2-CE1 3.8Å; Y214-F228 HydrophobicContact CE2-CE1 3.8Å; Y214-F228 AromaticContact CE2-CZ 3.59Å; Y214-F228 HydrophobicContact CE2-CZ 3.59Å; Y214-F228 HydrophobicContact CG-CE2 4.29Å; Y214-F228 AromaticContact CG-CZ 3.95Å; Y214-F228 HydrophobicContact CG-CZ 3.95Å; Y214-F228 AromaticContact CZ-CZ 3.88Å; I218-F228 HydrophobicContact CB-CB 4.4Å; I218-F228 HydrophobicContact CB-CD2 4.17Å; I218-F228 HydrophobicContact CD1-CB 4.23Å; I218-F228 HydrophobicContact CG2-CD2 3.83Å; I218-F228 HydrophobicContact CG2-CE2 4.38Å; V219-F228 CarbonylContact O-C 3.59Å; V219-F228 WeakPolarHBondContact O-CA 3.1Å; V219-F228 WeakPolarHBondContact O-CB 3.5Å; F220-F228 HydrophobicContact CD2-CB 4.32Å; P226-F228 PolarHBondContact O-N 2.75Å; F228-E230 HydrophobicContact CE2-CG 4.11Å |
| 229 | Q | 93.7 | Very high | 85.5 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.4 | 171 | 178.8 | 178.4 | 2.3 | 0 | 0 | 108.6 | I218 V219 | I218-Q229 CarbonylContact C-O 3.59Å; I218-Q229 VanDerWaalsContact CA-O 3.24Å; I218-Q229 WeakPolarHBondContact CA-O 3.33Å; V219-Q229 PolarHBondContact N-O 2.99Å; V219-Q229 PolarHBondContact O-N 3.22Å |
| 230 | E | 92.8 | Very high | 85.3 | Confident | 90 Ų | 90 | 73.9 Ų | 73.9 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.5 | 172.3 | -70.4 | 155.5 | -132.7 | 0 | 0 | 109.9 | R183 I218 F228 | R183-E230 IonicContact CZ-OE1 2.82Å; R183-E230 IonicContact NH1-OE1 3.98Å; R183-E230 PolarHBondContact NH1-OE1 3.25Å; R183-E230 VanDerWaalsContact NH2-CD 3.29Å; R183-E230 IonicContact NH2-OE1 3.49Å; R183-E230 PolarHBondContact NH2-OE1 2.96Å; R183-E230 IonicContact NH2-OE2 2.81Å; R183-E230 PolarHBondContact NH2-OE2 3.04Å; I218-E230 HydrophobicContact CG2-CG 4.38Å; F228-E230 HydrophobicContact CE2-CG 4.11Å |
| 231 | I | 89.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.7 | 168.1 | -59 | 165.5 | 0 | 0 | 0 | 107 | T217 V219 I233 I285 L288 | T217-I231 PolarHBondContact O-N 3.47Å; V219-I231 HydrophobicContact CG2-CD1 3.2Å; V219-I231 HydrophobicContact CG2-CG1 3.71Å; I231-I233 HydrophobicContact CG2-CG1 4.27Å; I231-I285 HydrophobicContact CD1-CG1 4.24Å; I231-I285 HydrophobicContact CD1-CG2 4.39Å; I231-L288 HydrophobicContact CG2-CB 4.18Å |
| 232 | N | 82.1 | Confident | 85.5 | Confident | 131 Ų | 131 | 70.1 Ų | 70.1 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | trans | -101.6 | 104.4 | 174 | -162.4 | -22.4 | 0 | 0 | 0 | 108.3 | S234 | N232-S234 PolarHBondContact O-N 3.23Š| ||
| 233 | I | 82 | Confident | 86 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | trans | -78.5 | 114.2 | -176.1 | -61 | 171.7 | 0 | 0 | 0 | 108.4 | T217 I231 N235 S236 I239 L288 I379 E380 | T217-I233 HydrophobicContact CG2-CD1 4Å; T217-I233 WeakPolarHBondContact OG1-CD1 3.33Å; I231-I233 HydrophobicContact CG2-CG1 4.27Å; I233-N235 PolarHBondContact O-N 3.18Å; I233-S236 PolarHBondContact O-N 3.08Å; I233-I239 HydrophobicContact CG2-CD1 4.06Å; I233-L288 HydrophobicContact CD1-CD1 4.31Å; I233-L288 HydrophobicContact CD1-CD2 4.07Å; I233-L288 HydrophobicContact CG1-CB 4.34Å; I233-L288 HydrophobicContact CG1-CD2 4.19Å; I233-L288 HydrophobicContact CG2-CD2 4.25Å; I233-I379 HydrophobicContact CD1-CD1 3.68Å; I233-E380 WeakPolarHBondContact CB-OE1 3.23Å; I233-E380 HydrophobicContact CD1-CG 4.47Å; I233-E380 WeakPolarHBondContact CG1-OE1 3.33Å; I233-E380 PolarHBondContact N-OE1 3.36Å | ||
| 234 | S | 75.6 | Confident | 86.7 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 127.8 | 173.7 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | N232 | N232-S234 PolarHBondContact O-N 3.23Š|
| 235 | N | 72.6 | Confident | 87.2 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 42.1 | -178.1 | -50.5 | -58 | 0 | 0 | 0 | 113.7 | I233 D237 T238 N293 | I233-N235 PolarHBondContact O-N 3.18Å; N235-D237 PolarHBondContact O-N 3.46Å; N235-D237 VanDerWaalsContact O-N 3.07Å; N235-T238 HydrophobicContact CB-CG2 3.96Å; N235-T238 WeakPolarHBondContact O-CB 3.34Å; N235-T238 PolarHBondContact O-N 2.93Å; N235-T238 PolarHBondContact O-OG1 2.99Å; N235-N293 WeakPolarHBondContact CB-OD1 3.34Å; N235-N293 PolarHBondContact ND2-ND2 2.65Å; N235-N293 PolarHBondContact ND2-OD1 3.04Å |
| 236 | S | 78.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -54.1 | -26.3 | 176.2 | 52 | 0 | 0 | 0 | 0 | 114.2 | I233 T238 I239 E380 | I233-S236 PolarHBondContact O-N 3.08Å; S236-T238 PolarHBondContact O-N 3.17Å; S236-T238 VanDerWaalsContact O-N 3.09Å; S236-I239 PolarHBondContact O-N 3.06Å; S236-I239 VanDerWaalsContact O-O 3.13Å; S236-E380 WeakPolarHBondContact CB-OE2 3.06Å; S236-E380 PolarHBondContact OG-OE2 3.28Å |
| 237 | D | 79.9 | Confident | 87.6 | Confident | 143 Ų | 143 | 49.2 Ų | 49.2 | 77% | 0.765 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -57.4 | -22.7 | 171.8 | -64.6 | -35.6 | 0 | 0 | 0 | 113.9 | N235 I239 | N235-D237 PolarHBondContact O-N 3.46Å; N235-D237 VanDerWaalsContact O-N 3.07Å; D237-I239 VanDerWaalsContact C-N 3.34Å |
| 238 | T | 81.1 | Confident | 87.6 | Confident | 59 Ų | 59 | 47.6 Ų | 47.6 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -85.1 | -7 | 178.1 | 68.8 | 0 | 0 | 0 | 0 | 113.5 | N235 S236 G352 | N235-T238 HydrophobicContact CB-CG2 3.96Å; N235-T238 WeakPolarHBondContact O-CB 3.34Å; N235-T238 PolarHBondContact O-N 2.93Å; N235-T238 PolarHBondContact O-OG1 2.99Å; S236-T238 PolarHBondContact O-N 3.17Å; S236-T238 VanDerWaalsContact O-N 3.09Å; T238-G352 PolarHBondContact O-N 3.26Å |
| 239 | I | 87.4 | Confident | 86.8 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 111.5 | 178.4 | -57.1 | 179 | 0 | 0 | 0 | 108.4 | I233 S236 D237 L351 I379 | I233-I239 HydrophobicContact CG2-CD1 4.06Å; S236-I239 PolarHBondContact O-N 3.06Å; S236-I239 VanDerWaalsContact O-O 3.13Å; D237-I239 VanDerWaalsContact C-N 3.34Å; I239-L351 HydrophobicContact CB-CD2 4.46Å; I239-L351 HydrophobicContact CD1-CD2 4.5Å; I239-L351 HydrophobicContact CG1-CD2 4.05Å; I239-L351 HydrophobicContact CG2-CD2 3.94Å; I239-I379 HydrophobicContact CB-CD1 3.78Å; I239-I379 HydrophobicContact CB-CG1 4.46Å; I239-I379 HydrophobicContact CD1-CD1 4.38Å; I239-I379 HydrophobicContact CG2-CD1 3.85Å; I239-I379 HydrophobicContact CG2-CG2 4.35Å |
| 240 | K | 91.7 | Very high | 86 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 46% | 0.457 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 150.2 | 171 | -63.1 | 178.2 | -176.8 | 174.7 | 0 | 109.9 | I350 V376 | K240-I350 HydrophobicContact CB-CB 4.12Å; K240-I350 HydrophobicContact CB-CD1 4.45Å; K240-I350 PolarHBondContact N-O 2.95Å; K240-I350 PolarHBondContact O-N 3.25Å; K240-V376 HydrophobicContact CB-CG1 4.09Å; K240-V376 HydrophobicContact CD-CG1 4.22Å |
| 241 | L | 94.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.3 | 174.1 | -58.1 | -178.5 | 0 | 0 | 0 | 109.8 | A12 L14 T29 I31 I243 V347 G348 F349 V376 T377 I379 | A12-L241 HydrophobicContact CB-CD1 3.89Å; L14-L241 HydrophobicContact CD2-CD1 3.97Å; L14-L241 HydrophobicContact CD2-CD2 4.44Å; T29-L241 HydrophobicContact CG2-CD1 4.14Å; I31-L241 HydrophobicContact CG2-CD1 4.01Å; L241-I243 HydrophobicContact CB-CD1 3.87Å; L241-I243 HydrophobicContact CD1-CD1 4.43Å; L241-V347 HydrophobicContact CB-CG2 4.49Å; L241-V347 HydrophobicContact CD1-CG2 4.28Å; L241-V347 HydrophobicContact CD2-CG1 4.46Å; L241-G348 CarbonylContact C-O 3.55Å; L241-G348 WeakPolarHBondContact CA-O 3.45Å; L241-F349 HydrophobicContact CD2-CD1 3.55Å; L241-F349 HydrophobicContact CD2-CE1 3.82Å; L241-F349 HydrophobicContact CD2-CG 4.02Å; L241-F349 HydrophobicContact CD2-CZ 4.48Å; L241-V376 CarbonylContact O-C 3.59Å; L241-V376 VanDerWaalsContact O-CA 3.32Å; L241-V376 WeakPolarHBondContact O-CA 3.36Å; L241-T377 HydrophobicContact CB-CG2 3.95Å; L241-T377 PolarHBondContact N-O 3.24Å; L241-T377 PolarHBondContact O-N 3.14Å; L241-I379 HydrophobicContact CD1-CG2 3.66Å; L241-I379 HydrophobicContact CD2-CG2 4.21Å; L241-I379 HydrophobicContact CG-CG2 3.57Å |
| 242 | L | 95 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 106.1 | 164.5 | 174.2 | 53.2 | 0 | 0 | 0 | 107.9 | V244 L328 G348 I350 L360 I364 W367 A374 V376 | L242-V244 HydrophobicContact CD1-CG2 4.47Å; L242-V244 HydrophobicContact CG-CG2 4.12Å; L242-L328 HydrophobicContact CD2-CD2 3.71Å; L242-G348 PolarHBondContact N-O 3.12Å; L242-G348 PolarHBondContact O-N 3.49Å; L242-I350 HydrophobicContact CB-CD1 4.31Å; L242-L360 HydrophobicContact CD2-CD1 3.66Å; L242-I364 HydrophobicContact CD1-CD1 4.11Å; L242-I364 HydrophobicContact CD1-CG1 4.21Å; L242-W367 HydrophobicContact CD1-CZ3 4.44Å; L242-W367 HydrophobicContact CD2-CH2 4.16Å; L242-W367 HydrophobicContact CD2-CZ3 3.87Å; L242-W367 HydrophobicContact CG-CZ3 4.28Å; L242-A374 HydrophobicContact CD1-CB 4.34Å; L242-V376 HydrophobicContact CD1-CG2 4.06Å |
| 243 | I | 95.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.8 | 177.4 | -46.9 | -57.7 | 0 | 0 | 0 | 108.4 | I31 L152 L241 C345 V347 W373 A374 K375 T377 | I31-I243 HydrophobicContact CD1-CD1 4.27Å; I31-I243 HydrophobicContact CD1-CG1 4.31Å; L152-I243 HydrophobicContact CD1-CG2 3.7Å; L152-I243 HydrophobicContact CD2-CG2 3.88Å; L152-I243 HydrophobicContact CG-CG2 4.35Å; L241-I243 HydrophobicContact CB-CD1 3.87Å; L241-I243 HydrophobicContact CD1-CD1 4.43Å; I243-C345 HydrophobicContact CG2-CB 4.21Å; I243-V347 HydrophobicContact CD1-CG2 3.25Å; I243-W373 HydrophobicContact CB-CZ3 4.21Å; I243-W373 HydrophobicContact CG2-CZ3 4.1Å; I243-A374 CarbonylContact O-C 3.57Å; I243-A374 WeakPolarHBondContact O-CA 3.36Å; I243-K375 PolarHBondContact N-O 2.9Å; I243-K375 PolarHBondContact O-N 3.08Å; I243-T377 HydrophobicContact CD1-CG2 4.08Å; I243-T377 HydrophobicContact CG1-CG2 3.76Å |
| 244 | V | 95.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 109.4 | 175.9 | -168.6 | 0 | 0 | 0 | 0 | 108.9 | L242 I324 C345 V346 W367 W373 A374 | L242-V244 HydrophobicContact CD1-CG2 4.47Å; L242-V244 HydrophobicContact CG-CG2 4.12Å; V244-I324 HydrophobicContact CB-CG2 4.01Å; V244-I324 HydrophobicContact CG1-CD1 3.81Å; V244-I324 HydrophobicContact CG1-CG1 4.31Å; V244-I324 HydrophobicContact CG1-CG2 3.97Å; V244-I324 HydrophobicContact CG2-CG2 4.05Å; V244-C345 CarbonylContact O-C 3.34Å; V244-C345 VanDerWaalsContact O-CA 3.24Å; V244-C345 WeakPolarHBondContact O-CA 3.34Å; V244-V346 HydrophobicContact CB-CB 4.46Å; V244-V346 PolarHBondContact N-O 3.01Å; V244-V346 PolarHBondContact O-N 3.16Å; V244-W367 HydrophobicContact CB-CZ3 4.4Å; V244-W367 HydrophobicContact CG1-CD2 4.21Å; V244-W367 HydrophobicContact CG1-CE3 4.02Å; V244-W367 HydrophobicContact CG1-CZ3 4.21Å; V244-W367 HydrophobicContact CG2-CE3 3.9Å; V244-W367 HydrophobicContact CG2-CH2 3.6Å; V244-W367 HydrophobicContact CG2-CZ2 4.49Å; V244-W367 HydrophobicContact CG2-CZ3 3.28Å; V244-W373 CarbonylContact C-O 3.58Å; V244-W373 WeakPolarHBondContact CA-O 3.35Å; V244-A374 HydrophobicContact CG1-CB 4.33Å; V244-A374 HydrophobicContact CG2-CB 4.23Å |
| 245 | N | 93.6 | Very high | 85 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.1 | 174 | -178.7 | 14.6 | 0 | 0 | 0 | 109.8 | C150 N247 W373 | C150-N245 HydrophobicContact CB-CB 4.46Å; N245-N247 PolarHBondContact ND2-OD1 2.72Å; N245-N247 PolarHBondContact O-N 2.82Å; N245-N247 VanDerWaalsContact O-N 3.17Å; N245-N247 PolarHBondContact OD1-N 3.3Å; N245-W373 HydrophobicContact CB-CB 4.23Å; N245-W373 HydrophobicContact CB-CE3 4.06Å; N245-W373 PolarHBondContact N-O 2.99Å; N245-W373 PolarHBondContact O-N 3.23Å; N245-W373 VanDerWaalsContact O-N 3.15Å |
| 246 | T | 92.3 | Very high | 85.6 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | trans | -64.2 | -12.7 | 175.4 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | I248 I320 I324 G344 L372 | T246-I248 PolarHBondContact O-N 3.28Å; T246-I248 VanDerWaalsContact O-N 3.08Å; T246-I248 PolarHBondContact OG1-N 2.81Å; T246-I320 HydrophobicContact CG2-CG2 3.96Å; T246-I324 HydrophobicContact CG2-CD1 3.71Å; T246-G344 VanDerWaalsContact CB-O 3.27Å; T246-G344 WeakPolarHBondContact CB-O 3.21Å; T246-G344 WeakPolarHBondContact CG2-O 3.31Å; T246-G344 PolarHBondContact N-O 3.16Å; T246-G344 WeakPolarHBondContact OG1-CA 3.45Å; T246-G344 PolarHBondContact OG1-N 3.47Å; T246-G344 PolarHBondContact OG1-O 2.73Å; T246-L372 WeakPolarHBondContact O-CD2 3.46Å | ||
| 247 | N | 88.1 | Confident | 86.1 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | trans | 58 | 12.9 | -170.2 | -76.4 | -23.7 | 0 | 0 | 0 | 114.5 | N245 T249 S371 | N245-N247 PolarHBondContact ND2-OD1 2.72Å; N245-N247 PolarHBondContact O-N 2.82Å; N245-N247 VanDerWaalsContact O-N 3.17Å; N245-N247 PolarHBondContact OD1-N 3.3Å; N247-T249 PolarHBondContact O-N 2.84Å; N247-S371 PolarHBondContact ND2-O 3.05Å | ||
| 248 | I | 86 | Confident | 86.7 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | trans | -85.6 | 105.3 | 170.3 | -55.4 | 173.6 | 0 | 0 | 0 | 107.4 | T246 H318 I320 G344 | T246-I248 PolarHBondContact O-N 3.28Å; T246-I248 VanDerWaalsContact O-N 3.08Å; T246-I248 PolarHBondContact OG1-N 2.81Å; I248-H318 WeakPolarHBondContact CD1-CE1 3.4Å; I248-H318 WeakPolarHBondContact CD1-ND1 3.29Å; I248-I320 HydrophobicContact CD1-CB 4.15Å; I248-I320 HydrophobicContact CD1-CD1 3.68Å; I248-I320 HydrophobicContact CD1-CG1 4.33Å; I248-I320 HydrophobicContact CG1-CD1 4.43Å; I248-G344 PolarHBondContact O-N 2.87Å | ||
| 249 | T | 77.3 | Confident | 87.2 | Confident | 121 Ų | 121 | 48 Ų | 48 | 74% | 0.742 | 25% | 0.252 | S | S | * | . | trans | -66.3 | 137.6 | 173.4 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | N247 | N247-T249 PolarHBondContact O-N 2.84Š| ||
| 250 | R | 76.5 | Confident | 87.5 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | trans | -139.6 | 152.5 | 175.5 | 67.6 | -131.8 | -163.1 | -87.8 | 14.2 | 110.6 | G149 C150 T338 G341 G343 | G149-R250 PolarHBondContact O-NH1 3.41Å; G149-R250 VanDerWaalsContact O-NH1 3.11Å; C150-R250 PolarHBondContact O-NH1 2.65Å; C150-R250 PolarHBondContact O-NH2 2.91Å; R250-T338 PolarHBondContact NH2-O 3Å; R250-G341 WeakPolarHBondContact CD-O 3.4Å; R250-G341 PolarHBondContact NE-O 2.87Å; R250-G343 PolarHBondContact NE-O 3.41Å | ||
| 251 | S | 76.3 | Confident | 87.7 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | trans | -88.4 | 121.5 | 167.1 | 169.1 | 0 | 0 | 0 | 0 | 109.5 | S253 I254 A255 | S251-S253 PolarHBondContact O-N 3.2Å; S251-S253 PolarHBondContact OG-N 2.85Å; S251-S253 PolarHBondContact OG-OG 2.8Å; S251-I254 PolarHBondContact O-N 2.82Å; S251-I254 PolarHBondContact OG-N 3.03Å; S251-A255 PolarHBondContact O-N 2.81Å | ||
| 252 | T | 76.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 52 Ų | 52 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.7 | -39.6 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | A255 V256 A340 | T252-A255 PolarHBondContact O-N 3.41Å; T252-V256 HydrophobicContact CG2-CG2 4.48Å; T252-V256 WeakPolarHBondContact O-CG2 3.39Å; T252-V256 PolarHBondContact O-N 2.86Å; T252-A340 HydrophobicContact CG2-CB 4.19Å |
| 253 | S | 77.8 | Confident | 87.7 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 56% | 0.559 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.4 | -39.3 | 179.7 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | S251 R257 | S251-S253 PolarHBondContact O-N 3.2Å; S251-S253 PolarHBondContact OG-N 2.85Å; S251-S253 PolarHBondContact OG-OG 2.8Å; S253-R257 VanDerWaalsContact O-CB 3.3Å; S253-R257 WeakPolarHBondContact O-CB 3.48Å; S253-R257 PolarHBondContact O-N 2.8Å |
| 254 | I | 83 | Confident | 87.7 | Confident | 97 Ų | 97 | 59.5 Ų | 59.5 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.6 | -63 | 178.9 | 0 | 0 | 0 | 110.8 | S251 R257 K258 | S251-I254 PolarHBondContact O-N 2.82Å; S251-I254 PolarHBondContact OG-N 3.03Å; I254-R257 PolarHBondContact O-N 2.81Å; I254-K258 HydrophobicContact CG2-CD 4.38Å; I254-K258 HydrophobicContact CG2-CG 4.49Å; I254-K258 WeakPolarHBondContact O-CG 3.46Å; I254-K258 PolarHBondContact O-N 2.93Å |
| 255 | A | 85.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | S251 T252 R257 K258 V259 A340 F342 | S251-A255 PolarHBondContact O-N 2.81Å; T252-A255 PolarHBondContact O-N 3.41Å; A255-R257 VanDerWaalsContact C-N 3.26Å; A255-R257 PolarHBondContact O-N 2.83Å; A255-K258 PolarHBondContact O-N 2.86Å; A255-V259 PolarHBondContact O-N 2.51Å; A255-V259 VanDerWaalsContact O-N 3.14Å; A255-A340 HydrophobicContact CB-CB 3.8Å; A255-F342 HydrophobicContact CB-CD2 3.56Å; A255-F342 HydrophobicContact CB-CE2 3.86Å |
| 256 | V | 85.6 | Confident | 87.9 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | T252 V259 Y260 | T252-V256 HydrophobicContact CG2-CG2 4.48Å; T252-V256 WeakPolarHBondContact O-CG2 3.39Å; T252-V256 PolarHBondContact O-N 2.86Å; V256-V259 PolarHBondContact O-N 2.91Å; V256-Y260 WeakPolarHBondContact O-CB 3.36Å; V256-Y260 PolarHBondContact O-N 3.01Å |
| 257 | R | 89.4 | Confident | 88.1 | Confident | 126 Ų | 126 | 75.7 Ų | 75.7 | 48% | 0.475 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.7 | -177.8 | 64.9 | -155.7 | -153.9 | -1.3 | 112.4 | S253 I254 A255 V259 Y260 D261 | S253-R257 VanDerWaalsContact O-CB 3.3Å; S253-R257 WeakPolarHBondContact O-CB 3.48Å; S253-R257 PolarHBondContact O-N 2.8Å; I254-R257 PolarHBondContact O-N 2.81Å; A255-R257 VanDerWaalsContact C-N 3.26Å; A255-R257 PolarHBondContact O-N 2.83Å; R257-V259 VanDerWaalsContact C-N 3.34Å; R257-V259 PolarHBondContact O-N 3.33Å; R257-Y260 CarbonylContact O-C 3.42Å; R257-Y260 WeakPolarHBondContact O-CB 3.46Å; R257-Y260 PolarHBondContact O-N 3.39Å; R257-Y260 VanDerWaalsContact O-N 3.13Å; R257-D261 IonicContact CZ-OD1 3.87Å; R257-D261 IonicContact CZ-OD2 2.75Å; R257-D261 IonicContact NE-OD1 3.1Å; R257-D261 PolarHBondContact NE-OD1 3.47Å; R257-D261 IonicContact NE-OD2 3.39Å; R257-D261 PolarHBondContact NE-OD2 3.4Å; R257-D261 VanDerWaalsContact NE-OD2 3.1Å; R257-D261 IonicContact NH2-OD1 3.96Å; R257-D261 PolarHBondContact NH2-OD1 2.96Å; R257-D261 IonicContact NH2-OD2 2.84Å; R257-D261 PolarHBondContact O-N 3.49Å |
| 258 | K | 92.1 | Very high | 88.6 | Confident | 107 Ų | 107 | 77.1 Ų | 77.1 | 47% | 0.465 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.7 | -74.4 | 179.7 | 177 | -175.1 | 0 | 112.2 | I254 A255 Y260 D261 K262 F342 | I254-K258 HydrophobicContact CG2-CD 4.38Å; I254-K258 HydrophobicContact CG2-CG 4.49Å; I254-K258 WeakPolarHBondContact O-CG 3.46Å; I254-K258 PolarHBondContact O-N 2.93Å; A255-K258 PolarHBondContact O-N 2.86Å; K258-Y260 VanDerWaalsContact C-N 3.31Å; K258-Y260 PolarHBondContact O-N 3.44Å; K258-D261 PolarHBondContact O-N 3.47Å; K258-K262 PolarHBondContact O-N 2.94Å; K258-F342 HydrophobicContact CB-CE2 4.36Å; K258-F342 HydrophobicContact CB-CZ 3.92Å; K258-F342 HydrophobicContact CD-CD1 4.42Å; K258-F342 HydrophobicContact CD-CE1 3.83Å; K258-F342 HydrophobicContact CD-CE2 4.36Å; K258-F342 HydrophobicContact CD-CZ 3.79Å |
| 259 | V | 93.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | Y22 A255 V256 R257 K262 W263 F274 L314 V316 | Y22-V259 HydrophobicContact CE2-CG1 4.3Å; A255-V259 PolarHBondContact O-N 2.51Å; A255-V259 VanDerWaalsContact O-N 3.14Å; V256-V259 PolarHBondContact O-N 2.91Å; R257-V259 VanDerWaalsContact C-N 3.34Å; R257-V259 PolarHBondContact O-N 3.33Å; V259-K262 PolarHBondContact O-N 2.78Å; V259-W263 WeakPolarHBondContact O-CB 3.47Å; V259-W263 PolarHBondContact O-N 3.27Å; V259-F274 HydrophobicContact CG1-CE1 4.42Å; V259-F274 HydrophobicContact CG1-CZ 3.75Å; V259-L314 HydrophobicContact CG1-CD1 4.11Å; V259-L314 HydrophobicContact CG1-CD2 4.2Å; V259-L314 HydrophobicContact CG1-CG 4.32Å; V259-L314 HydrophobicContact CG2-CD2 4.27Å; V259-L314 HydrophobicContact CG2-CG 4.36Å; V259-V316 HydrophobicContact CG2-CG1 3.31Å |
| 260 | Y | 93.3 | Very high | 90 | Very high | 83 Ų | 83 | 71 Ų | 71 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 176 | 177.6 | -102 | 0 | 0 | 0 | 113.3 | V256 R257 K258 W263 K264 | V256-Y260 WeakPolarHBondContact O-CB 3.36Å; V256-Y260 PolarHBondContact O-N 3.01Å; R257-Y260 CarbonylContact O-C 3.42Å; R257-Y260 WeakPolarHBondContact O-CB 3.46Å; R257-Y260 PolarHBondContact O-N 3.39Å; R257-Y260 VanDerWaalsContact O-N 3.13Å; K258-Y260 VanDerWaalsContact C-N 3.31Å; K258-Y260 PolarHBondContact O-N 3.44Å; Y260-W263 HydrophobicContact CD2-CE3 4.3Å; Y260-W263 HydrophobicContact CE2-CE3 4.13Å; Y260-W263 HydrophobicContact CE2-CZ3 4.22Å; Y260-W263 WeakPolarHBondContact O-CB 3.34Å; Y260-W263 PolarHBondContact O-N 3.07Å; Y260-K264 HydrophobicContact CD1-CD 4.31Å; Y260-K264 HydrophobicContact CE1-CD 3.79Å; Y260-K264 HydrophobicContact CE1-CG 4.31Å; Y260-K264 VanDerWaalsContact CE1-NZ 3.35Å; Y260-K264 PolarHBondContact O-N 3.11Å; Y260-K264 WeakPolarHBondContact OH-CE 3Å; Y260-K264 PolarHBondContact OH-NZ 2.85Å |
| 261 | D | 94.8 | Very high | 91 | Very high | 53 Ų | 53 | 72.6 Ų | 72.6 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 176.1 | -67.4 | -34.4 | 0 | 0 | 0 | 110.5 | R257 K258 W263 K264 E265 | R257-D261 IonicContact CZ-OD1 3.87Å; R257-D261 IonicContact CZ-OD2 2.75Å; R257-D261 IonicContact NE-OD1 3.1Å; R257-D261 PolarHBondContact NE-OD1 3.47Å; R257-D261 IonicContact NE-OD2 3.39Å; R257-D261 PolarHBondContact NE-OD2 3.4Å; R257-D261 VanDerWaalsContact NE-OD2 3.1Å; R257-D261 IonicContact NH2-OD1 3.96Å; R257-D261 PolarHBondContact NH2-OD1 2.96Å; R257-D261 IonicContact NH2-OD2 2.84Å; R257-D261 PolarHBondContact O-N 3.49Å; K258-D261 PolarHBondContact O-N 3.47Å; D261-W263 VanDerWaalsContact C-N 3.34Å; D261-W263 PolarHBondContact O-N 3.45Å; D261-K264 WeakPolarHBondContact O-CB 3.47Å; D261-K264 PolarHBondContact O-N 3Å; D261-K264 VanDerWaalsContact O-N 3.08Å; D261-E265 WeakPolarHBondContact O-CG 3.49Å; D261-E265 PolarHBondContact O-N 3.35Å; D261-E265 VanDerWaalsContact O-N 3.08Å |
| 262 | K | 94.6 | Very high | 92 | Very high | 67 Ų | 67 | 73.7 Ų | 73.7 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 171.5 | -169.1 | 178.8 | -173.5 | 167.7 | 0 | 112.6 | K258 V259 K264 E265 D266 V270 E313 L314 | K258-K262 PolarHBondContact O-N 2.94Å; V259-K262 PolarHBondContact O-N 2.78Å; K262-K264 VanDerWaalsContact C-N 3.25Å; K262-K264 PolarHBondContact O-N 2.88Å; K262-E265 PolarHBondContact O-N 2.83Å; K262-D266 PolarHBondContact O-N 3.07Å; K262-V270 HydrophobicContact CD-CG2 4.31Å; K262-V270 HydrophobicContact CG-CG2 3.97Å; K262-E313 PolarHBondContact NZ-O 2.75Å; K262-L314 WeakPolarHBondContact CD-O 3.42Å; K262-L314 PolarHBondContact NZ-O 2.78Å |
| 263 | W | 95.9 | Very high | 93 | Very high | 52 Ų | 52 | 70.4 Ų | 70.4 | 20% | 0.197 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -34.9 | 175.2 | 179.4 | 85.4 | 0 | 0 | 0 | 112 | Y22 V259 Y260 D261 D266 K267 V270 N271 | Y22-W263 HydrophobicContact CE1-CD2 4.26Å; Y22-W263 HydrophobicContact CE1-CG 4.06Å; V259-W263 WeakPolarHBondContact O-CB 3.47Å; V259-W263 PolarHBondContact O-N 3.27Å; Y260-W263 HydrophobicContact CD2-CE3 4.3Å; Y260-W263 HydrophobicContact CE2-CE3 4.13Å; Y260-W263 HydrophobicContact CE2-CZ3 4.22Å; Y260-W263 WeakPolarHBondContact O-CB 3.34Å; Y260-W263 PolarHBondContact O-N 3.07Å; D261-W263 VanDerWaalsContact C-N 3.34Å; D261-W263 PolarHBondContact O-N 3.45Å; W263-D266 CarbonylContact O-C 3.54Å; W263-K267 HydrophobicContact CD2-CG 4.21Å; W263-K267 HydrophobicContact CE3-CG 4.48Å; W263-K267 HydrophobicContact CH2-CD 4.2Å; W263-K267 HydrophobicContact CH2-CG 4.49Å; W263-K267 HydrophobicContact CZ2-CD 4.16Å; W263-K267 HydrophobicContact CZ2-CG 4.2Å; W263-K267 VanDerWaalsContact O-CA 3.27Å; W263-K267 WeakPolarHBondContact O-CA 3.31Å; W263-K267 WeakPolarHBondContact O-CG 3.3Å; W263-K267 PolarHBondContact O-N 3.07Å; W263-K267 VanDerWaalsContact O-N 3.14Å; W263-V270 HydrophobicContact CB-CB 4.36Å; W263-V270 HydrophobicContact CB-CG1 3.96Å; W263-V270 HydrophobicContact CG-CG1 4.24Å; W263-N271 PolarHBondContact NE1-OD1 2.8Å |
| 264 | K | 95.7 | Very high | 93.9 | Very high | 106 Ų | 106 | 66.6 Ų | 66.6 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 175 | -80.8 | -179.4 | 162.5 | 173.7 | 0 | 112.6 | Y260 D261 K262 | Y260-K264 HydrophobicContact CD1-CD 4.31Å; Y260-K264 HydrophobicContact CE1-CD 3.79Å; Y260-K264 HydrophobicContact CE1-CG 4.31Å; Y260-K264 VanDerWaalsContact CE1-NZ 3.35Å; Y260-K264 PolarHBondContact O-N 3.11Å; Y260-K264 WeakPolarHBondContact OH-CE 3Å; Y260-K264 PolarHBondContact OH-NZ 2.85Å; D261-K264 WeakPolarHBondContact O-CB 3.47Å; D261-K264 PolarHBondContact O-N 3Å; D261-K264 VanDerWaalsContact O-N 3.08Å; K262-K264 VanDerWaalsContact C-N 3.25Å; K262-K264 PolarHBondContact O-N 2.88Å |
| 265 | E | 96.5 | Very high | 94.6 | Very high | 167 Ų | 167 | 68.1 Ų | 68.1 | 78% | 0.78 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.4 | -46.6 | -179.6 | -70.3 | 170.9 | -178.2 | 0 | 0 | 111.8 | D261 K262 | D261-E265 WeakPolarHBondContact O-CG 3.49Å; D261-E265 PolarHBondContact O-N 3.35Å; D261-E265 VanDerWaalsContact O-N 3.08Å; K262-E265 PolarHBondContact O-N 2.83Å |
| 266 | D | 96.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | trans | -137 | 83.4 | 177.3 | -170.3 | -12.3 | 0 | 0 | 0 | 111.7 | K262 W263 T268 C269 V270 | K262-D266 PolarHBondContact O-N 3.07Å; W263-D266 CarbonylContact O-C 3.54Å; D266-T268 PolarHBondContact O-N 2.92Å; D266-T268 PolarHBondContact OD1-N 3.28Å; D266-T268 VanDerWaalsContact OD1-N 3.15Å; D266-C269 HydrophobicContact CB-CB 4.23Å; D266-C269 PolarHBondContact OD1-N 2.7Å; D266-C269 WeakPolarHBondContact OD2-CB 3.32Å; D266-V270 WeakPolarHBondContact O-CB 3.29Å; D266-V270 WeakPolarHBondContact O-CG2 3.34Å; D266-V270 PolarHBondContact O-N 3.5Å; D266-V270 VanDerWaalsContact O-N 3.15Å | ||
| 267 | K | 96.3 | Very high | 95.8 | Very high | 107 Ų | 107 | 68.4 Ų | 68.4 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.9 | -37 | 177.2 | -71 | -178.4 | -179.7 | 178.5 | 0 | 112.4 | W263 N271 | W263-K267 HydrophobicContact CD2-CG 4.21Å; W263-K267 HydrophobicContact CE3-CG 4.48Å; W263-K267 HydrophobicContact CH2-CD 4.2Å; W263-K267 HydrophobicContact CH2-CG 4.49Å; W263-K267 HydrophobicContact CZ2-CD 4.16Å; W263-K267 HydrophobicContact CZ2-CG 4.2Å; W263-K267 VanDerWaalsContact O-CA 3.27Å; W263-K267 WeakPolarHBondContact O-CA 3.31Å; W263-K267 WeakPolarHBondContact O-CG 3.3Å; W263-K267 PolarHBondContact O-N 3.07Å; W263-K267 VanDerWaalsContact O-N 3.14Å; K267-N271 WeakPolarHBondContact O-CB 3.25Å; K267-N271 PolarHBondContact O-N 3.49Å; K267-N271 PolarHBondContact O-ND2 3.22Å |
| 268 | T | 97.3 | Very high | 96.2 | Very high | 119 Ų | 119 | 62.4 Ų | 62.4 | 73% | 0.73 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.3 | -50.6 | -172.4 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | D266 S272 | D266-T268 PolarHBondContact O-N 2.92Å; D266-T268 PolarHBondContact OD1-N 3.28Å; D266-T268 VanDerWaalsContact OD1-N 3.15Å; T268-S272 WeakPolarHBondContact O-CB 3.45Å; T268-S272 PolarHBondContact O-N 3.19Å |
| 269 | C | 96.5 | Very high | 96.4 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -52.9 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | D266 N271 S272 I273 | D266-C269 HydrophobicContact CB-CB 4.23Å; D266-C269 PolarHBondContact OD1-N 2.7Å; D266-C269 WeakPolarHBondContact OD2-CB 3.32Å; C269-N271 PolarHBondContact O-N 3.39Å; C269-S272 VanDerWaalsContact O-CB 3.32Å; C269-S272 WeakPolarHBondContact O-CB 3.41Å; C269-S272 PolarHBondContact O-N 3.22Å; C269-I273 WeakPolarHBondContact O-CG1 3.31Å; C269-I273 PolarHBondContact O-N 2.88Å |
| 270 | V | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | -175 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | K262 W263 D266 S272 I273 F274 L314 | K262-V270 HydrophobicContact CD-CG2 4.31Å; K262-V270 HydrophobicContact CG-CG2 3.97Å; W263-V270 HydrophobicContact CB-CB 4.36Å; W263-V270 HydrophobicContact CB-CG1 3.96Å; W263-V270 HydrophobicContact CG-CG1 4.24Å; D266-V270 WeakPolarHBondContact O-CB 3.29Å; D266-V270 WeakPolarHBondContact O-CG2 3.34Å; D266-V270 PolarHBondContact O-N 3.5Å; D266-V270 VanDerWaalsContact O-N 3.15Å; V270-S272 VanDerWaalsContact C-N 3.3Å; V270-S272 PolarHBondContact O-N 2.93Å; V270-I273 WeakPolarHBondContact O-CB 3.34Å; V270-I273 PolarHBondContact O-N 2.99Å; V270-F274 HydrophobicContact CG1-CD2 3.94Å; V270-F274 HydrophobicContact CG1-CE1 4.35Å; V270-F274 HydrophobicContact CG1-CE2 3.34Å; V270-F274 HydrophobicContact CG1-CZ 3.57Å; V270-F274 WeakPolarHBondContact O-CD2 3.47Å; V270-F274 WeakPolarHBondContact O-CG 3.35Å; V270-F274 PolarHBondContact O-N 2.84Å; V270-L314 HydrophobicContact CG1-CD1 3.81Å |
| 271 | N | 97.2 | Very high | 96.8 | Very high | 68 Ų | 68 | 57.2 Ų | 57.2 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 174.2 | -72.9 | -28.5 | 0 | 0 | 0 | 112.2 | W263 K267 C269 F274 K275 | W263-N271 PolarHBondContact NE1-OD1 2.8Å; K267-N271 WeakPolarHBondContact O-CB 3.25Å; K267-N271 PolarHBondContact O-N 3.49Å; K267-N271 PolarHBondContact O-ND2 3.22Å; C269-N271 PolarHBondContact O-N 3.39Å; N271-F274 PolarHBondContact O-N 3.18Å; N271-K275 WeakPolarHBondContact O-CB 3.33Å; N271-K275 PolarHBondContact O-N 3.4Å |
| 272 | S | 97.7 | Very high | 96.8 | Very high | 71 Ų | 71 | 58 Ų | 58 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 173.6 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | T268 C269 V270 K275 E276 | T268-S272 WeakPolarHBondContact O-CB 3.45Å; T268-S272 PolarHBondContact O-N 3.19Å; C269-S272 VanDerWaalsContact O-CB 3.32Å; C269-S272 WeakPolarHBondContact O-CB 3.41Å; C269-S272 PolarHBondContact O-N 3.22Å; V270-S272 VanDerWaalsContact C-N 3.3Å; V270-S272 PolarHBondContact O-N 2.93Å; S272-K275 PolarHBondContact O-N 3.41Å; S272-E276 PolarHBondContact O-N 3.33Å |
| 273 | I | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -50 | 175.4 | -66.3 | 169.2 | 0 | 0 | 0 | 110.4 | C269 V270 K275 E276 I277 L310 E313 L314 | C269-I273 WeakPolarHBondContact O-CG1 3.31Å; C269-I273 PolarHBondContact O-N 2.88Å; V270-I273 WeakPolarHBondContact O-CB 3.34Å; V270-I273 PolarHBondContact O-N 2.99Å; I273-K275 VanDerWaalsContact C-N 3.33Å; I273-K275 PolarHBondContact O-N 2.98Å; I273-E276 PolarHBondContact O-N 3.28Å; I273-I277 HydrophobicContact CG2-CD1 3.96Å; I273-I277 HydrophobicContact CG2-CG1 4.47Å; I273-I277 WeakPolarHBondContact O-CG1 3.33Å; I273-I277 PolarHBondContact O-N 3.42Å; I273-L310 HydrophobicContact CG2-CB 4.15Å; I273-L310 HydrophobicContact CG2-CD2 4.3Å; I273-E313 HydrophobicContact CD1-CB 4.09Å; I273-E313 HydrophobicContact CD1-CG 3.76Å; I273-E313 HydrophobicContact CG1-CG 4.46Å; I273-L314 HydrophobicContact CG2-CB 4.38Å; I273-L314 HydrophobicContact CG2-CD1 4.39Å |
| 274 | F | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 179.6 | -65.2 | -34.9 | 0 | 0 | 0 | 113 | H18 A19 Y22 Y24 V259 V270 N271 E276 I277 G278 L314 | H18-F274 HydrophobicContact CB-CE1 4.04Å; A19-F274 HydrophobicContact CB-CB 4.42Å; A19-F274 HydrophobicContact CB-CD1 4.05Å; Y22-F274 HydrophobicContact CD1-CD2 4.15Å; Y22-F274 AromaticContact CD1-CE2 3.73Å; Y22-F274 HydrophobicContact CD1-CE2 3.73Å; Y22-F274 AromaticContact CD2-CD2 3.86Å; Y22-F274 HydrophobicContact CD2-CD2 3.86Å; Y22-F274 HydrophobicContact CD2-CE1 4.14Å; Y22-F274 AromaticContact CD2-CE2 3.26Å; Y22-F274 HydrophobicContact CD2-CE2 3.26Å; Y22-F274 AromaticContact CD2-CZ 3.44Å; Y22-F274 HydrophobicContact CD2-CZ 3.44Å; Y22-F274 VanDerWaalsContact CD2-CZ 3.44Å; Y22-F274 AromaticContact CE1-CE2 3.8Å; Y22-F274 HydrophobicContact CE1-CE2 3.8Å; Y22-F274 HydrophobicContact CE2-CD2 4.4Å; Y22-F274 HydrophobicContact CE2-CE1 4.28Å; Y22-F274 AromaticContact CE2-CE2 3.37Å; Y22-F274 HydrophobicContact CE2-CE2 3.37Å; Y22-F274 AromaticContact CE2-CZ 3.31Å; Y22-F274 HydrophobicContact CE2-CZ 3.31Å; Y22-F274 AromaticContact CG-CD2 3.73Å; Y22-F274 HydrophobicContact CG-CD2 3.73Å; Y22-F274 AromaticContact CG-CE2 3.45Å; Y22-F274 HydrophobicContact CG-CE2 3.45Å; Y22-F274 VanDerWaalsContact CG-CE2 3.45Å; Y22-F274 HydrophobicContact CG-CZ 4.13Å; Y22-F274 AromaticContact CZ-CE2 3.63Å; Y22-F274 AromaticContact CZ-CZ 3.88Å; Y24-F274 HydrophobicContact CD2-CB 3.88Å; Y24-F274 HydrophobicContact CE2-CB 3.58Å; V259-F274 HydrophobicContact CG1-CE1 4.42Å; V259-F274 HydrophobicContact CG1-CZ 3.75Å; V270-F274 HydrophobicContact CG1-CD2 3.94Å; V270-F274 HydrophobicContact CG1-CE1 4.35Å; V270-F274 HydrophobicContact CG1-CE2 3.34Å; V270-F274 HydrophobicContact CG1-CZ 3.57Å; V270-F274 WeakPolarHBondContact O-CD2 3.47Å; V270-F274 WeakPolarHBondContact O-CG 3.35Å; V270-F274 PolarHBondContact O-N 2.84Å; N271-F274 PolarHBondContact O-N 3.18Å; F274-E276 VanDerWaalsContact C-N 3.32Å; F274-E276 PolarHBondContact O-N 3.14Å; F274-I277 PolarHBondContact O-N 2.93Å; F274-G278 PolarHBondContact O-N 3.27Å; F274-L314 HydrophobicContact CE1-CD1 3.89Å; F274-L314 HydrophobicContact CE1-CD2 3.84Å; F274-L314 HydrophobicContact CZ-CD1 4.06Å |
| 275 | K | 97.7 | Very high | 96.3 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 56% | 0.557 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 174.3 | -174.6 | -179.5 | 178.1 | -176.2 | 0 | 111.5 | Y24 N271 S272 I273 G278 I279 | Y24-K275 WeakPolarHBondContact OH-CA 3.32Å; N271-K275 WeakPolarHBondContact O-CB 3.33Å; N271-K275 PolarHBondContact O-N 3.4Å; S272-K275 PolarHBondContact O-N 3.41Å; I273-K275 VanDerWaalsContact C-N 3.33Å; I273-K275 PolarHBondContact O-N 2.98Å; K275-G278 PolarHBondContact O-N 3.12Å; K275-I279 HydrophobicContact CG-CD1 4.43Å; K275-I279 WeakPolarHBondContact O-CG1 3.24Å; K275-I279 PolarHBondContact O-N 3Å |
| 276 | E | 98 | Very high | 96 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 179.3 | -162.6 | 175 | 164.5 | 0 | 0 | 112.2 | S272 I273 F274 G278 I279 I280 R306 L310 | S272-E276 PolarHBondContact O-N 3.33Å; I273-E276 PolarHBondContact O-N 3.28Å; F274-E276 VanDerWaalsContact C-N 3.32Å; F274-E276 PolarHBondContact O-N 3.14Å; E276-G278 VanDerWaalsContact C-N 3.26Å; E276-G278 PolarHBondContact O-N 3.22Å; E276-I279 PolarHBondContact O-N 2.85Å; E276-I280 WeakPolarHBondContact O-CG1 3.27Å; E276-I280 PolarHBondContact O-N 2.83Å; E276-R306 IonicContact OE1-CZ 3.11Å; E276-R306 IonicContact OE1-NE 2.7Å; E276-R306 PolarHBondContact OE1-NE 3.33Å; E276-R306 IonicContact OE1-NH2 2.74Å; E276-R306 PolarHBondContact OE1-NH2 3Å; E276-R306 IonicContact OE2-CZ 3.84Å; E276-R306 IonicContact OE2-NH2 2.86Å; E276-R306 PolarHBondContact OE2-NH2 3.46Å; E276-L310 HydrophobicContact CB-CD1 3.96Å; E276-L310 HydrophobicContact CB-CD2 4.31Å; E276-L310 HydrophobicContact CG-CD1 3.84Å; E276-L310 HydrophobicContact CG-CD2 4.46Å |
| 277 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 170.4 | -65.9 | 173.9 | 0 | 0 | 0 | 110.2 | A19 I273 F274 I279 I280 V281 L310 L311 | A19-I277 HydrophobicContact CB-CB 4.04Å; A19-I277 HydrophobicContact CB-CG2 3.64Å; I273-I277 HydrophobicContact CG2-CD1 3.96Å; I273-I277 HydrophobicContact CG2-CG1 4.47Å; I273-I277 WeakPolarHBondContact O-CG1 3.33Å; I273-I277 PolarHBondContact O-N 3.42Å; F274-I277 PolarHBondContact O-N 2.93Å; I277-I279 PolarHBondContact O-N 3.37Å; I277-I280 PolarHBondContact O-N 3.33Å; I277-V281 HydrophobicContact CG2-CG2 4.27Å; I277-V281 VanDerWaalsContact O-CG2 3.23Å; I277-V281 WeakPolarHBondContact O-CG2 3.39Å; I277-V281 PolarHBondContact O-N 2.81Å; I277-L310 HydrophobicContact CD1-CB 4.27Å; I277-L310 HydrophobicContact CG1-CB 4.03Å; I277-L310 HydrophobicContact CG1-CD1 3.84Å; I277-L311 HydrophobicContact CD1-CD2 4.36Å |
| 278 | G | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F274 K275 E276 I280 V281 D282 | F274-G278 PolarHBondContact O-N 3.27Å; K275-G278 PolarHBondContact O-N 3.12Å; E276-G278 VanDerWaalsContact C-N 3.26Å; E276-G278 PolarHBondContact O-N 3.22Å; G278-I280 PolarHBondContact O-N 2.87Å; G278-V281 PolarHBondContact O-N 2.93Å; G278-D282 PolarHBondContact O-N 2.89Å |
| 279 | I | 97.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 39.8 Ų | 39.8 | 41% | 0.405 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.7 | -67.3 | 164.5 | 0 | 0 | 0 | 110.5 | K275 E276 I277 V281 D282 E283 | K275-I279 HydrophobicContact CG-CD1 4.43Å; K275-I279 WeakPolarHBondContact O-CG1 3.24Å; K275-I279 PolarHBondContact O-N 3Å; E276-I279 PolarHBondContact O-N 2.85Å; I277-I279 PolarHBondContact O-N 3.37Å; I279-V281 VanDerWaalsContact C-N 3.27Å; I279-V281 PolarHBondContact O-N 2.91Å; I279-D282 PolarHBondContact O-N 2.81Å; I279-E283 HydrophobicContact CG2-CG 4.36Å; I279-E283 WeakPolarHBondContact O-CG 3.29Å; I279-E283 PolarHBondContact O-N 2.95Å |
| 280 | I | 97.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 176.8 | -69.3 | 167.9 | 0 | 0 | 0 | 111 | F15 E276 I277 G278 E283 V284 H303 R306 N307 L310 | F15-I280 HydrophobicContact CD1-CG2 3.7Å; F15-I280 HydrophobicContact CE1-CG2 3.96Å; E276-I280 WeakPolarHBondContact O-CG1 3.27Å; E276-I280 PolarHBondContact O-N 2.83Å; I277-I280 PolarHBondContact O-N 3.33Å; G278-I280 PolarHBondContact O-N 2.87Å; I280-E283 PolarHBondContact O-N 3.02Å; I280-V284 HydrophobicContact CG2-CG2 4.19Å; I280-V284 WeakPolarHBondContact O-CB 3.27Å; I280-V284 WeakPolarHBondContact O-CG2 3.44Å; I280-V284 PolarHBondContact O-N 2.77Å; I280-H303 HydrophobicContact CG2-CB 3.87Å; I280-R306 HydrophobicContact CD1-CB 4.1Å; I280-R306 HydrophobicContact CD1-CG 3.71Å; I280-N307 HydrophobicContact CD1-CB 4.4Å; I280-L310 HydrophobicContact CD1-CD1 3.57Å |
| 281 | V | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | F15 P25 V27 I277 G278 I279 V284 I285 | F15-V281 HydrophobicContact CB-CG2 3.66Å; P25-V281 HydrophobicContact CB-CG1 3.75Å; P25-V281 HydrophobicContact CG-CB 4.08Å; P25-V281 HydrophobicContact CG-CG1 3.56Å; V27-V281 HydrophobicContact CG2-CG1 3.95Å; I277-V281 HydrophobicContact CG2-CG2 4.27Å; I277-V281 VanDerWaalsContact O-CG2 3.23Å; I277-V281 WeakPolarHBondContact O-CG2 3.39Å; I277-V281 PolarHBondContact O-N 2.81Å; G278-V281 PolarHBondContact O-N 2.93Å; I279-V281 VanDerWaalsContact C-N 3.27Å; I279-V281 PolarHBondContact O-N 2.91Å; V281-V284 PolarHBondContact O-N 2.71Å; V281-I285 HydrophobicContact CG1-CD1 3.83Å; V281-I285 HydrophobicContact CG1-CG1 4.39Å; V281-I285 WeakPolarHBondContact O-CD1 3.39Å; V281-I285 WeakPolarHBondContact O-CG1 3.28Å; V281-I285 PolarHBondContact O-N 2.91Å |
| 282 | D | 94.5 | Very high | 90.3 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 178.6 | -68.8 | -35.9 | 0 | 0 | 0 | 111.2 | R221 G278 I279 V284 I285 D286 | R221-D282 IonicContact NH2-OD1 3.21Å; R221-D282 PolarHBondContact NH2-OD1 3.26Å; G278-D282 PolarHBondContact O-N 2.89Å; I279-D282 PolarHBondContact O-N 2.81Å; D282-V284 PolarHBondContact O-N 2.93Å; D282-I285 WeakPolarHBondContact O-CB 3.33Å; D282-I285 PolarHBondContact O-N 3Å; D282-D286 PolarHBondContact O-N 2.82Å; D282-D286 VanDerWaalsContact O-N 3.12Å |
| 283 | E | 94 | Very high | 88.5 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 174.8 | -70.5 | 175.5 | 164.6 | 0 | 0 | 112.4 | I279 I280 I285 D286 I287 H303 | I279-E283 HydrophobicContact CG2-CG 4.36Å; I279-E283 WeakPolarHBondContact O-CG 3.29Å; I279-E283 PolarHBondContact O-N 2.95Å; I280-E283 PolarHBondContact O-N 3.02Å; E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 2.87Å; E283-D286 PolarHBondContact O-N 2.81Å; E283-I287 VanDerWaalsContact O-CG1 3.3Å; E283-I287 WeakPolarHBondContact O-CG1 3.47Å; E283-I287 PolarHBondContact O-N 2.8Å; E283-H303 IonicContact OE2-CE1 2.98Å; E283-H303 PolarHBondContact OE2-CE1 3.46Å; E283-H303 IonicContact OE2-ND1 3.73Å; E283-H303 IonicContact OE2-NE2 3.61Å |
| 284 | V | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 176.3 | 166.6 | 0 | 0 | 0 | 0 | 111.2 | F15 I280 V281 D282 D286 I287 L288 L300 H303 | F15-V284 HydrophobicContact CD1-CG2 4.21Å; F15-V284 HydrophobicContact CD2-CB 4.3Å; F15-V284 HydrophobicContact CD2-CG1 3.72Å; F15-V284 HydrophobicContact CD2-CG2 4.1Å; F15-V284 HydrophobicContact CE1-CG2 3.95Å; F15-V284 HydrophobicContact CE2-CB 4.34Å; F15-V284 HydrophobicContact CE2-CG1 3.68Å; F15-V284 HydrophobicContact CE2-CG2 3.84Å; F15-V284 HydrophobicContact CG-CG2 4.3Å; F15-V284 HydrophobicContact CZ-CG1 4.42Å; F15-V284 HydrophobicContact CZ-CG2 3.74Å; I280-V284 HydrophobicContact CG2-CG2 4.19Å; I280-V284 WeakPolarHBondContact O-CB 3.27Å; I280-V284 WeakPolarHBondContact O-CG2 3.44Å; I280-V284 PolarHBondContact O-N 2.77Å; V281-V284 PolarHBondContact O-N 2.71Å; D282-V284 PolarHBondContact O-N 2.93Å; V284-D286 VanDerWaalsContact C-N 3.29Å; V284-D286 PolarHBondContact O-N 2.89Å; V284-I287 PolarHBondContact O-N 2.8Å; V284-L288 HydrophobicContact CG1-CD1 3.72Å; V284-L288 HydrophobicContact CG1-CG 4.02Å; V284-L288 WeakPolarHBondContact O-CB 3.46Å; V284-L288 VanDerWaalsContact O-CG 3.26Å; V284-L288 WeakPolarHBondContact O-CG 3.48Å; V284-L288 PolarHBondContact O-N 2.96Å; V284-L300 HydrophobicContact CG1-CD1 4.15Å; V284-L300 HydrophobicContact CG2-CD1 4.11Å; V284-H303 HydrophobicContact CG2-CB 3.88Å |
| 285 | I | 91.2 | Very high | 84.8 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 175.4 | -69.9 | 163.1 | 0 | 0 | 0 | 110 | V27 V219 I231 V281 D282 E283 L288 N289 | V27-I285 HydrophobicContact CG2-CD1 4.18Å; V27-I285 HydrophobicContact CG2-CG1 3.65Å; V219-I285 HydrophobicContact CB-CD1 4.32Å; V219-I285 HydrophobicContact CG1-CD1 3.67Å; V219-I285 HydrophobicContact CG2-CD1 3.62Å; V219-I285 HydrophobicContact CG2-CG1 3.72Å; V219-I285 HydrophobicContact CG2-CG2 4.31Å; I231-I285 HydrophobicContact CD1-CG1 4.24Å; I231-I285 HydrophobicContact CD1-CG2 4.39Å; V281-I285 HydrophobicContact CG1-CD1 3.83Å; V281-I285 HydrophobicContact CG1-CG1 4.39Å; V281-I285 WeakPolarHBondContact O-CD1 3.39Å; V281-I285 WeakPolarHBondContact O-CG1 3.28Å; V281-I285 PolarHBondContact O-N 2.91Å; D282-I285 WeakPolarHBondContact O-CB 3.33Å; D282-I285 PolarHBondContact O-N 3Å; E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 2.87Å; I285-L288 PolarHBondContact O-N 3.29Å; I285-N289 WeakPolarHBondContact CG2-ND2 3.47Å; I285-N289 WeakPolarHBondContact O-CB 3.48Å; I285-N289 PolarHBondContact O-N 2.88Å; I285-N289 VanDerWaalsContact O-N 3.12Å; I285-N289 PolarHBondContact O-ND2 2.81Å |
| 286 | D | 89 | Confident | 83.5 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 54% | 0.54 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.4 | -72 | -20.4 | 0 | 0 | 0 | 111.7 | D282 E283 V284 N289 Q290 | D282-D286 PolarHBondContact O-N 2.82Å; D282-D286 VanDerWaalsContact O-N 3.12Å; E283-D286 PolarHBondContact O-N 2.81Å; V284-D286 VanDerWaalsContact C-N 3.29Å; V284-D286 PolarHBondContact O-N 2.89Å; D286-N289 PolarHBondContact O-N 3.29Å; D286-Q290 VanDerWaalsContact O-CG 3.31Å; D286-Q290 WeakPolarHBondContact O-CG 3.29Å; D286-Q290 PolarHBondContact O-N 3.49Å; D286-Q290 PolarHBondContact O-NE2 2.96Å |
| 287 | I | 87.1 | Confident | 82.6 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 177.1 | -70 | 163.9 | 0 | 0 | 0 | 111.3 | E283 V284 N289 Q290 I296 H303 | E283-I287 VanDerWaalsContact O-CG1 3.3Å; E283-I287 WeakPolarHBondContact O-CG1 3.47Å; E283-I287 PolarHBondContact O-N 2.8Å; V284-I287 PolarHBondContact O-N 2.8Å; I287-N289 VanDerWaalsContact C-N 3.26Å; I287-N289 PolarHBondContact O-N 3.47Å; I287-Q290 PolarHBondContact O-N 2.95Å; I287-Q290 VanDerWaalsContact O-N 3.14Å; I287-I296 HydrophobicContact CG2-CB 4.2Å; I287-I296 HydrophobicContact CG2-CG1 3.99Å; I287-I296 HydrophobicContact CG2-CG2 3.85Å; I287-H303 VanDerWaalsContact CD1-CD2 3.46Å; I287-H303 WeakPolarHBondContact CD1-CD2 3.24Å; I287-H303 WeakPolarHBondContact CD1-NE2 3.18Å |
| 288 | L | 85.8 | Confident | 81.9 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68 | -25.5 | -177.9 | -70.3 | 178 | 0 | 0 | 0 | 113 | V27 I231 I233 V284 I285 | V27-L288 HydrophobicContact CG1-CD1 4.1Å; I231-L288 HydrophobicContact CG2-CB 4.18Å; I233-L288 HydrophobicContact CD1-CD1 4.31Å; I233-L288 HydrophobicContact CD1-CD2 4.07Å; I233-L288 HydrophobicContact CG1-CB 4.34Å; I233-L288 HydrophobicContact CG1-CD2 4.19Å; I233-L288 HydrophobicContact CG2-CD2 4.25Å; V284-L288 HydrophobicContact CG1-CD1 3.72Å; V284-L288 HydrophobicContact CG1-CG 4.02Å; V284-L288 WeakPolarHBondContact O-CB 3.46Å; V284-L288 VanDerWaalsContact O-CG 3.26Å; V284-L288 WeakPolarHBondContact O-CG 3.48Å; V284-L288 PolarHBondContact O-N 2.96Å; I285-L288 PolarHBondContact O-N 3.29Å |
| 289 | N | 82.9 | Confident | 81.4 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -80.9 | -14.3 | 174.7 | -78.5 | -56.2 | 0 | 0 | 0 | 113.5 | I285 D286 I287 | I285-N289 WeakPolarHBondContact CG2-ND2 3.47Å; I285-N289 WeakPolarHBondContact O-CB 3.48Å; I285-N289 PolarHBondContact O-N 2.88Å; I285-N289 VanDerWaalsContact O-N 3.12Å; I285-N289 PolarHBondContact O-ND2 2.81Å; D286-N289 PolarHBondContact O-N 3.29Å; I287-N289 VanDerWaalsContact C-N 3.26Å; I287-N289 PolarHBondContact O-N 3.47Å |
| 290 | Q | 78.8 | Confident | 81.1 | Confident | 106 Ų | 106 | 66.8 Ų | 66.8 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | trans | -80.7 | 145.7 | 179.3 | -72.4 | 171.6 | 35 | 0 | 0 | 111.9 | D286 I287 | D286-Q290 VanDerWaalsContact O-CG 3.31Å; D286-Q290 WeakPolarHBondContact O-CG 3.29Å; D286-Q290 PolarHBondContact O-N 3.49Å; D286-Q290 PolarHBondContact O-NE2 2.96Å; I287-Q290 PolarHBondContact O-N 2.95Å; I287-Q290 VanDerWaalsContact O-N 3.14Å | ||
| 291 | K | 65.1 | Low | 80.9 | Confident | 162 Ų | 162 | 69 Ų | 69 | 70% | 0.704 | 34% | 0.336 | S | S | * | . | trans | -88.4 | -1.3 | -173.7 | -68.1 | -171.6 | 174.6 | -177.2 | 0 | 115.5 | ||||
| 292 | H | 60.6 | Low | 80.8 | Confident | 149 Ų | 149 | 77 Ų | 77 | 69% | 0.69 | 37% | 0.366 | S | S | * | . | trans | -108.9 | 119.6 | -167.5 | -67.4 | -65.4 | 0 | 0 | 0 | 113.6 | I296 | H292-I296 WeakPolarHBondContact O-CD1 3.19Å; H292-I296 WeakPolarHBondContact O-CG1 3.43Å | ||
| 293 | N | 61.6 | Low | 80.9 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.8 | -29.5 | -158.3 | -87.3 | -19.4 | 0 | 0 | 0 | 119.3 | N235 | N235-N293 WeakPolarHBondContact CB-OD1 3.34Å; N235-N293 PolarHBondContact ND2-ND2 2.65Å; N235-N293 PolarHBondContact ND2-OD1 3.04Å |
| 294 | W | 53.4 | Low | 81 | Confident | 183 Ų | 183 | 70.8 Ų | 70.8 | 69% | 0.693 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -91.8 | -40.4 | -163.7 | 80.9 | -90 | 0 | 0 | 0 | 113.9 | I296 S297 | W294-I296 PolarHBondContact O-N 3.06Å; W294-S297 PolarHBondContact O-N 3.09Å |
| 295 | E | 62.6 | Low | 81.3 | Confident | 112 Ų | 112 | 73.6 Ų | 73.6 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.7 | -22 | 177.4 | -68 | 179.3 | 162.2 | 0 | 0 | 112.4 | S297 S299 | E295-S297 VanDerWaalsContact C-N 3.34Å; E295-S297 PolarHBondContact O-N 3.46Å; E295-S299 VanDerWaalsContact O-CB 3.3Å; E295-S299 WeakPolarHBondContact O-CB 3.2Å; E295-S299 PolarHBondContact O-N 3.23Å; E295-S299 VanDerWaalsContact O-N 3.11Å; E295-S299 PolarHBondContact O-OG 3.25Å |
| 296 | I | 71.4 | Confident | 81.6 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 175.1 | -67.1 | 172.1 | 0 | 0 | 0 | 110.1 | I287 H292 W294 Q298 S299 L300 | I287-I296 HydrophobicContact CG2-CB 4.2Å; I287-I296 HydrophobicContact CG2-CG1 3.99Å; I287-I296 HydrophobicContact CG2-CG2 3.85Å; H292-I296 WeakPolarHBondContact O-CD1 3.19Å; H292-I296 WeakPolarHBondContact O-CG1 3.43Å; W294-I296 PolarHBondContact O-N 3.06Å; I296-Q298 PolarHBondContact O-N 3.4Å; I296-S299 PolarHBondContact O-N 3.49Å; I296-L300 WeakPolarHBondContact O-CB 3.14Å; I296-L300 PolarHBondContact O-N 2.87Å |
| 297 | S | 79.6 | Confident | 82 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | -173 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | W294 E295 T301 | W294-S297 PolarHBondContact O-N 3.09Å; E295-S297 VanDerWaalsContact C-N 3.34Å; E295-S297 PolarHBondContact O-N 3.46Å; S297-T301 VanDerWaalsContact O-CB 3.25Å; S297-T301 WeakPolarHBondContact O-CB 3.23Å; S297-T301 PolarHBondContact O-N 3.15Å; S297-T301 PolarHBondContact O-OG1 2.89Å |
| 298 | Q | 83.1 | Confident | 82.5 | Confident | 129 Ų | 129 | 71.6 Ų | 71.6 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -72.9 | -40.3 | -178.9 | -164.7 | 176.8 | 27.9 | 0 | 0 | 112.1 | I296 T301 R302 | I296-Q298 PolarHBondContact O-N 3.4Å; Q298-T301 WeakPolarHBondContact O-CB 3.26Å; Q298-T301 PolarHBondContact O-N 3.45Å; Q298-R302 PolarHBondContact O-N 2.9Å; Q298-R302 VanDerWaalsContact O-N 3.14Å |
| 299 | S | 86.4 | Confident | 83.1 | Confident | 42 Ų | 42 | 75.8 Ų | 75.8 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 177.3 | -57 | 0 | 0 | 0 | 0 | 111.1 | E295 I296 T301 R302 H303 | E295-S299 VanDerWaalsContact O-CB 3.3Å; E295-S299 WeakPolarHBondContact O-CB 3.2Å; E295-S299 PolarHBondContact O-N 3.23Å; E295-S299 VanDerWaalsContact O-N 3.11Å; E295-S299 PolarHBondContact O-OG 3.25Å; I296-S299 PolarHBondContact O-N 3.49Å; S299-T301 PolarHBondContact O-N 2.64Å; S299-R302 WeakPolarHBondContact O-CB 3.41Å; S299-R302 PolarHBondContact O-N 2.83Å; S299-H303 PolarHBondContact O-CD2 3.2Å; S299-H303 PolarHBondContact O-N 2.66Å; S299-H303 VanDerWaalsContact O-N 3.09Å |
| 300 | L | 90.2 | Very high | 83.8 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.3 | -167.8 | 64.2 | 0 | 0 | 0 | 111.4 | F15 V284 I296 R302 H303 I304 L351 | F15-L300 HydrophobicContact CE2-CD1 3.89Å; F15-L300 HydrophobicContact CZ-CD1 3.82Å; V284-L300 HydrophobicContact CG1-CD1 4.15Å; V284-L300 HydrophobicContact CG2-CD1 4.11Å; I296-L300 WeakPolarHBondContact O-CB 3.14Å; I296-L300 PolarHBondContact O-N 2.87Å; L300-R302 VanDerWaalsContact C-N 3.31Å; L300-R302 PolarHBondContact O-N 3.47Å; L300-H303 PolarHBondContact O-N 3.34Å; L300-I304 HydrophobicContact CG-CD1 3.91Å; L300-I304 HydrophobicContact CG-CG1 4.36Å; L300-I304 WeakPolarHBondContact O-CD1 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.2Å; L300-I304 PolarHBondContact O-N 2.9Å; L300-L351 HydrophobicContact CB-CD1 4.2Å; L300-L351 HydrophobicContact CD2-CD1 4.02Å; L300-L351 HydrophobicContact CD2-CD2 3.72Å; L300-L351 HydrophobicContact CG-CD1 4.32Å |
| 301 | T | 92.9 | Very high | 84.6 | Confident | 53 Ų | 53 | 67 Ų | 67 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -53.3 | -48.1 | 173 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | S297 Q298 S299 H303 I304 V305 P334 | S297-T301 VanDerWaalsContact O-CB 3.25Å; S297-T301 WeakPolarHBondContact O-CB 3.23Å; S297-T301 PolarHBondContact O-N 3.15Å; S297-T301 PolarHBondContact O-OG1 2.89Å; Q298-T301 WeakPolarHBondContact O-CB 3.26Å; Q298-T301 PolarHBondContact O-N 3.45Å; S299-T301 PolarHBondContact O-N 2.64Å; T301-H303 PolarHBondContact O-N 2.92Å; T301-I304 PolarHBondContact O-N 3.37Å; T301-V305 WeakPolarHBondContact O-CG2 3.37Å; T301-V305 PolarHBondContact O-N 3.25Å; T301-P334 HydrophobicContact CG2-CB 4.04Å; T301-P334 HydrophobicContact CG2-CG 4.18Å |
| 302 | R | 94.7 | Very high | 86.1 | Confident | 167 Ų | 167 | 62.5 Ų | 62.5 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 179.1 | -172.1 | -175.9 | -63.3 | 156 | 2.9 | 111.5 | Q298 S299 L300 R306 | Q298-R302 PolarHBondContact O-N 2.9Å; Q298-R302 VanDerWaalsContact O-N 3.14Å; S299-R302 WeakPolarHBondContact O-CB 3.41Å; S299-R302 PolarHBondContact O-N 2.83Å; L300-R302 VanDerWaalsContact C-N 3.31Å; L300-R302 PolarHBondContact O-N 3.47Å; R302-R306 WeakPolarHBondContact O-CB 3.34Å; R302-R306 PolarHBondContact O-N 2.95Å |
| 303 | H | 96.2 | Very high | 87.8 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -40.4 | 178.9 | -67.1 | -27.8 | 0 | 0 | 0 | 112.9 | F15 I280 E283 V284 I287 S299 L300 T301 R306 N307 | F15-H303 HydrophobicContact CE1-CB 4.05Å; F15-H303 HydrophobicContact CZ-CB 4.35Å; I280-H303 HydrophobicContact CG2-CB 3.87Å; E283-H303 IonicContact OE2-CE1 2.98Å; E283-H303 PolarHBondContact OE2-CE1 3.46Å; E283-H303 IonicContact OE2-ND1 3.73Å; E283-H303 IonicContact OE2-NE2 3.61Å; V284-H303 HydrophobicContact CG2-CB 3.88Å; I287-H303 VanDerWaalsContact CD1-CD2 3.46Å; I287-H303 WeakPolarHBondContact CD1-CD2 3.24Å; I287-H303 WeakPolarHBondContact CD1-NE2 3.18Å; S299-H303 PolarHBondContact O-CD2 3.2Å; S299-H303 PolarHBondContact O-N 2.66Å; S299-H303 VanDerWaalsContact O-N 3.09Å; L300-H303 PolarHBondContact O-N 3.34Å; T301-H303 PolarHBondContact O-N 2.92Å; H303-R306 PolarHBondContact O-N 3.44Å; H303-N307 VanDerWaalsContact O-CB 3.31Å; H303-N307 WeakPolarHBondContact O-CB 3.49Å; H303-N307 PolarHBondContact O-N 2.96Å |
| 304 | I | 96.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -51.8 | 175.6 | -67.7 | 159.1 | 0 | 0 | 0 | 109.8 | F15 L300 T301 R306 N307 Q308 P334 K336 F349 L351 | F15-I304 HydrophobicContact CE1-CG1 4.3Å; F15-I304 HydrophobicContact CZ-CG1 3.7Å; L300-I304 HydrophobicContact CG-CD1 3.91Å; L300-I304 HydrophobicContact CG-CG1 4.36Å; L300-I304 WeakPolarHBondContact O-CD1 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.2Å; L300-I304 PolarHBondContact O-N 2.9Å; T301-I304 PolarHBondContact O-N 3.37Å; I304-R306 PolarHBondContact O-N 3.11Å; I304-N307 PolarHBondContact O-N 3.29Å; I304-Q308 PolarHBondContact O-N 3.14Å; I304-P334 HydrophobicContact CB-CB 4.14Å; I304-P334 HydrophobicContact CD1-CB 4.02Å; I304-P334 HydrophobicContact CD1-CG 3.9Å; I304-P334 HydrophobicContact CG2-CB 3.93Å; I304-K336 HydrophobicContact CG2-CB 4.29Å; I304-K336 HydrophobicContact CG2-CD 4.24Å; I304-K336 HydrophobicContact CG2-CG 4.03Å; I304-F349 HydrophobicContact CD1-CB 3.65Å; I304-F349 HydrophobicContact CD1-CD1 3.8Å; I304-F349 HydrophobicContact CD1-CD2 3.39Å; I304-F349 HydrophobicContact CD1-CE1 4.23Å; I304-F349 HydrophobicContact CD1-CE2 3.84Å; I304-F349 HydrophobicContact CD1-CG 3.35Å; I304-F349 HydrophobicContact CD1-CZ 4.25Å; I304-F349 HydrophobicContact CG1-CD2 3.84Å; I304-F349 HydrophobicContact CG1-CE1 4.46Å; I304-F349 HydrophobicContact CG1-CE2 3.77Å; I304-F349 HydrophobicContact CG1-CG 4.21Å; I304-F349 HydrophobicContact CG1-CZ 4.11Å; I304-F349 HydrophobicContact CG2-CD2 3.92Å; I304-F349 HydrophobicContact CG2-CE2 3.91Å; I304-L351 HydrophobicContact CD1-CD1 4.35Å |
| 305 | V | 97.2 | Very high | 91.3 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -43.5 | -179.1 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | T301 Q308 H309 P334 | T301-V305 WeakPolarHBondContact O-CG2 3.37Å; T301-V305 PolarHBondContact O-N 3.25Å; V305-Q308 PolarHBondContact O-N 3.49Å; V305-H309 PolarHBondContact O-N 3.35Å; V305-H309 PolarHBondContact O-ND1 3.4Å; V305-P334 HydrophobicContact CG2-CB 4.38Å |
| 306 | R | 97.7 | Very high | 92.8 | Very high | 92 Ų | 92 | 44 Ų | 44 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 178.7 | -176.1 | 59.5 | -179.5 | 147.8 | 2.7 | 112 | E276 I280 R302 H303 I304 Q308 H309 L310 | E276-R306 IonicContact OE1-CZ 3.11Å; E276-R306 IonicContact OE1-NE 2.7Å; E276-R306 PolarHBondContact OE1-NE 3.33Å; E276-R306 IonicContact OE1-NH2 2.74Å; E276-R306 PolarHBondContact OE1-NH2 3Å; E276-R306 IonicContact OE2-CZ 3.84Å; E276-R306 IonicContact OE2-NH2 2.86Å; E276-R306 PolarHBondContact OE2-NH2 3.46Å; I280-R306 HydrophobicContact CD1-CB 4.1Å; I280-R306 HydrophobicContact CD1-CG 3.71Å; R302-R306 WeakPolarHBondContact O-CB 3.34Å; R302-R306 PolarHBondContact O-N 2.95Å; H303-R306 PolarHBondContact O-N 3.44Å; I304-R306 PolarHBondContact O-N 3.11Å; R306-Q308 VanDerWaalsContact C-N 3.31Å; R306-Q308 PolarHBondContact O-N 2.94Å; R306-H309 PolarHBondContact O-N 2.96Å; R306-L310 HydrophobicContact CG-CD1 4.28Å; R306-L310 WeakPolarHBondContact O-CG 3.47Å; R306-L310 PolarHBondContact O-N 3.44Å |
| 307 | N | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.4 | -168.8 | 12.4 | 0 | 0 | 0 | 111.1 | F15 E17 I280 H303 I304 H309 L310 L311 K336 | F15-N307 HydrophobicContact CD1-CB 4.09Å; F15-N307 WeakPolarHBondContact CD1-ND2 3.38Å; F15-N307 HydrophobicContact CE1-CB 4.25Å; E17-N307 PolarHBondContact OE2-ND2 3.11Å; I280-N307 HydrophobicContact CD1-CB 4.4Å; H303-N307 VanDerWaalsContact O-CB 3.31Å; H303-N307 WeakPolarHBondContact O-CB 3.49Å; H303-N307 PolarHBondContact O-N 2.96Å; I304-N307 PolarHBondContact O-N 3.29Å; N307-H309 PolarHBondContact O-N 2.67Å; N307-L310 PolarHBondContact O-N 3.16Å; N307-L311 VanDerWaalsContact O-CG 3.27Å; N307-L311 WeakPolarHBondContact O-CG 3.3Å; N307-L311 PolarHBondContact O-N 3.01Å; N307-K336 VanDerWaalsContact ND2-CE 3.28Å; N307-K336 WeakPolarHBondContact ND2-CE 3.33Å |
| 308 | Q | 98 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 173.9 | 178 | 55.2 | 26.5 | 0 | 0 | 112.8 | I304 V305 R306 L310 L311 E312 S317 I325 K336 | I304-Q308 PolarHBondContact O-N 3.14Å; V305-Q308 PolarHBondContact O-N 3.49Å; R306-Q308 VanDerWaalsContact C-N 3.31Å; R306-Q308 PolarHBondContact O-N 2.94Å; Q308-L310 VanDerWaalsContact C-N 3.29Å; Q308-L310 PolarHBondContact O-N 3.45Å; Q308-L311 PolarHBondContact O-N 2.87Å; Q308-L311 VanDerWaalsContact O-N 3.14Å; Q308-E312 PolarHBondContact NE2-OE1 3.06Å; Q308-E312 PolarHBondContact O-N 3.13Å; Q308-S317 PolarHBondContact NE2-OG 3.45Å; Q308-I325 HydrophobicContact CG-CD1 3.9Å; Q308-I325 HydrophobicContact CG-CG2 4.47Å; Q308-I325 VanDerWaalsContact NE2-CD1 3.33Å; Q308-K336 HydrophobicContact CB-CB 3.83Å; Q308-K336 HydrophobicContact CG-CB 4.45Å; Q308-K336 VanDerWaalsContact OE1-CA 3.28Å |
| 309 | H | 97.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61 | -39.8 | 177 | -73.5 | 85.2 | 0 | 0 | 0 | 111.7 | V305 R306 N307 L311 E312 E313 | V305-H309 PolarHBondContact O-N 3.35Å; V305-H309 PolarHBondContact O-ND1 3.4Å; R306-H309 PolarHBondContact O-N 2.96Å; N307-H309 PolarHBondContact O-N 2.67Å; H309-L311 VanDerWaalsContact C-N 3.33Å; H309-L311 PolarHBondContact O-N 3.49Å; H309-E312 WeakPolarHBondContact O-CB 3.49Å; H309-E312 PolarHBondContact O-N 3.26Å; H309-E313 WeakPolarHBondContact O-CB 3.24Å; H309-E313 PolarHBondContact O-N 2.96Å |
| 310 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -36.6 | 175.7 | -69.9 | 169.8 | 0 | 0 | 0 | 112.1 | I273 E276 I277 I280 R306 N307 Q308 E313 L314 | I273-L310 HydrophobicContact CG2-CB 4.15Å; I273-L310 HydrophobicContact CG2-CD2 4.3Å; E276-L310 HydrophobicContact CB-CD1 3.96Å; E276-L310 HydrophobicContact CB-CD2 4.31Å; E276-L310 HydrophobicContact CG-CD1 3.84Å; E276-L310 HydrophobicContact CG-CD2 4.46Å; I277-L310 HydrophobicContact CD1-CB 4.27Å; I277-L310 HydrophobicContact CG1-CB 4.03Å; I277-L310 HydrophobicContact CG1-CD1 3.84Å; I280-L310 HydrophobicContact CD1-CD1 3.57Å; R306-L310 HydrophobicContact CG-CD1 4.28Å; R306-L310 WeakPolarHBondContact O-CG 3.47Å; R306-L310 PolarHBondContact O-N 3.44Å; N307-L310 PolarHBondContact O-N 3.16Å; Q308-L310 VanDerWaalsContact C-N 3.29Å; Q308-L310 PolarHBondContact O-N 3.45Å; L310-E313 PolarHBondContact O-N 2.83Å; L310-L314 VanDerWaalsContact O-CB 3.31Å; L310-L314 WeakPolarHBondContact O-CB 3.41Å; L310-L314 PolarHBondContact O-N 3.43Å |
| 311 | L | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71 | -34.3 | 175.6 | -67.3 | 167.2 | 0 | 0 | 0 | 112.1 | E17 I277 N307 Q308 H309 L314 G315 V316 V337 | E17-L311 HydrophobicContact CB-CD2 4.28Å; E17-L311 HydrophobicContact CG-CD1 4.48Å; I277-L311 HydrophobicContact CD1-CD2 4.36Å; N307-L311 VanDerWaalsContact O-CG 3.27Å; N307-L311 WeakPolarHBondContact O-CG 3.3Å; N307-L311 PolarHBondContact O-N 3.01Å; Q308-L311 PolarHBondContact O-N 2.87Å; Q308-L311 VanDerWaalsContact O-N 3.14Å; H309-L311 VanDerWaalsContact C-N 3.33Å; H309-L311 PolarHBondContact O-N 3.49Å; L311-L314 PolarHBondContact O-N 2.98Å; L311-G315 PolarHBondContact O-N 3.49Å; L311-V316 HydrophobicContact CB-CG2 3.85Å; L311-V316 HydrophobicContact CD2-CG2 3.83Å; L311-V316 HydrophobicContact CG-CG2 4.44Å; L311-V316 VanDerWaalsContact O-CG2 3.27Å; L311-V316 WeakPolarHBondContact O-CG2 3.44Å; L311-V316 PolarHBondContact O-N 3.41Å; L311-V337 HydrophobicContact CB-CG2 4.09Å; L311-V337 HydrophobicContact CD1-CG2 3.66Å; L311-V337 HydrophobicContact CG-CG2 4.4Å |
| 312 | E | 96 | Very high | 95.6 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 169.6 | -76.2 | 170.3 | -164.7 | 0 | 0 | 111.5 | Q308 H309 L314 G315 N322 | Q308-E312 PolarHBondContact NE2-OE1 3.06Å; Q308-E312 PolarHBondContact O-N 3.13Å; H309-E312 WeakPolarHBondContact O-CB 3.49Å; H309-E312 PolarHBondContact O-N 3.26Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 2.83Å; E312-G315 WeakPolarHBondContact O-CA 3.22Å; E312-G315 PolarHBondContact O-N 3.25Å; E312-N322 PolarHBondContact OE1-OD1 2.56Å |
| 313 | E | 95.7 | Very high | 95.7 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 175.8 | -166.4 | -177.3 | 159.2 | 0 | 0 | 111.4 | K262 I273 H309 L310 G315 | K262-E313 PolarHBondContact NZ-O 2.75Å; I273-E313 HydrophobicContact CD1-CB 4.09Å; I273-E313 HydrophobicContact CD1-CG 3.76Å; I273-E313 HydrophobicContact CG1-CG 4.46Å; H309-E313 WeakPolarHBondContact O-CB 3.24Å; H309-E313 PolarHBondContact O-N 2.96Å; L310-E313 PolarHBondContact O-N 2.83Å; E313-G315 PolarHBondContact O-N 3.32Å |
| 314 | L | 95.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -21.3 | 172.1 | -168.5 | 63.6 | 0 | 0 | 0 | 112.1 | H18 V259 K262 V270 I273 F274 L310 L311 E312 V316 | H18-L314 HydrophobicContact CB-CD2 3.86Å; V259-L314 HydrophobicContact CG1-CD1 4.11Å; V259-L314 HydrophobicContact CG1-CD2 4.2Å; V259-L314 HydrophobicContact CG1-CG 4.32Å; V259-L314 HydrophobicContact CG2-CD2 4.27Å; V259-L314 HydrophobicContact CG2-CG 4.36Å; K262-L314 WeakPolarHBondContact CD-O 3.42Å; K262-L314 PolarHBondContact NZ-O 2.78Å; V270-L314 HydrophobicContact CG1-CD1 3.81Å; I273-L314 HydrophobicContact CG2-CB 4.38Å; I273-L314 HydrophobicContact CG2-CD1 4.39Å; F274-L314 HydrophobicContact CE1-CD1 3.89Å; F274-L314 HydrophobicContact CE1-CD2 3.84Å; F274-L314 HydrophobicContact CZ-CD1 4.06Å; L310-L314 VanDerWaalsContact O-CB 3.31Å; L310-L314 WeakPolarHBondContact O-CB 3.41Å; L310-L314 PolarHBondContact O-N 3.43Å; L311-L314 PolarHBondContact O-N 2.98Å; E312-L314 VanDerWaalsContact C-N 3.27Å; E312-L314 PolarHBondContact O-N 2.83Å; L314-V316 HydrophobicContact CB-CG1 4.43Å; L314-V316 HydrophobicContact CD2-CG1 3.91Å; L314-V316 HydrophobicContact CD2-CG2 4.36Å; L314-V316 HydrophobicContact CG-CG1 4Å |
| 315 | G | 93.7 | Very high | 95.7 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 19.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L311 E312 E313 F342 | L311-G315 PolarHBondContact O-N 3.49Å; E312-G315 WeakPolarHBondContact O-CA 3.22Å; E312-G315 PolarHBondContact O-N 3.25Å; E313-G315 PolarHBondContact O-N 3.32Å; G315-F342 WeakPolarHBondContact O-CE1 3.07Å; G315-F342 VanDerWaalsContact O-CZ 3.26Å; G315-F342 WeakPolarHBondContact O-CZ 3.36Å |
| 316 | V | 93.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -98.9 | 1.5 | -179.4 | -53.9 | 0 | 0 | 0 | 0 | 113 | V259 L311 L314 G341 F342 | V259-V316 HydrophobicContact CG2-CG1 3.31Å; L311-V316 HydrophobicContact CB-CG2 3.85Å; L311-V316 HydrophobicContact CD2-CG2 3.83Å; L311-V316 HydrophobicContact CG-CG2 4.44Å; L311-V316 VanDerWaalsContact O-CG2 3.27Å; L311-V316 WeakPolarHBondContact O-CG2 3.44Å; L311-V316 PolarHBondContact O-N 3.41Å; L314-V316 HydrophobicContact CB-CG1 4.43Å; L314-V316 HydrophobicContact CD2-CG1 3.91Å; L314-V316 HydrophobicContact CD2-CG2 4.36Å; L314-V316 HydrophobicContact CG-CG1 4Å; V316-G341 CarbonylContact O-C 3.46Å; V316-G341 VanDerWaalsContact O-C 3.31Å; V316-G341 WeakPolarHBondContact O-CA 3.24Å; V316-F342 HydrophobicContact CB-CD2 4.34Å; V316-F342 HydrophobicContact CB-CE2 3.95Å; V316-F342 HydrophobicContact CB-CZ 4.34Å; V316-F342 HydrophobicContact CG1-CE2 3.74Å; V316-F342 HydrophobicContact CG1-CZ 4.06Å; V316-F342 PolarHBondContact O-N 3.01Å | ||
| 317 | S | 92.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | trans | -83.4 | 168.9 | 173.3 | -150.7 | 0 | 0 | 0 | 0 | 112.2 | Q308 N322 | Q308-S317 PolarHBondContact NE2-OG 3.45Å; S317-N322 WeakPolarHBondContact CB-OD1 3.34Å; S317-N322 PolarHBondContact OG-OD1 2.8Å | ||
| 318 | H | 92.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | trans | -133.5 | 150.9 | 178.1 | -172.5 | -86.7 | 0 | 0 | 0 | 109.9 | I248 I320 S321 N322 | I248-H318 WeakPolarHBondContact CD1-CE1 3.4Å; I248-H318 WeakPolarHBondContact CD1-ND1 3.29Å; H318-I320 VanDerWaalsContact C-N 3.34Å; H318-I320 PolarHBondContact ND1-N 2.91Å; H318-I320 PolarHBondContact O-N 2.94Å; H318-S321 WeakPolarHBondContact O-CA 3.22Å; H318-S321 WeakPolarHBondContact O-CB 3.45Å; H318-S321 PolarHBondContact O-N 3.3Å; H318-N322 PolarHBondContact O-N 3.41Å; H318-N322 PolarHBondContact O-OD1 2.94Å | ||
| 319 | S | 94.2 | Very high | 95.4 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 59% | 0.594 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -53.4 | -47.9 | -177 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | S321 N322 E323 | S319-S321 VanDerWaalsContact C-N 3.33Å; S319-S321 PolarHBondContact O-N 3.11Å; S319-N322 PolarHBondContact O-N 3.47Å; S319-E323 PolarHBondContact O-N 2.85Å |
| 320 | I | 93.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 176 | -64.5 | 172.9 | 0 | 0 | 0 | 111.5 | T246 I248 H318 E323 I324 L372 | T246-I320 HydrophobicContact CG2-CG2 3.96Å; I248-I320 HydrophobicContact CD1-CB 4.15Å; I248-I320 HydrophobicContact CD1-CD1 3.68Å; I248-I320 HydrophobicContact CD1-CG1 4.33Å; I248-I320 HydrophobicContact CG1-CD1 4.43Å; H318-I320 VanDerWaalsContact C-N 3.34Å; H318-I320 PolarHBondContact ND1-N 2.91Å; H318-I320 PolarHBondContact O-N 2.94Å; I320-E323 PolarHBondContact O-N 3.47Å; I320-I324 HydrophobicContact CG2-CD1 4.05Å; I320-I324 WeakPolarHBondContact O-CD1 3.28Å; I320-I324 VanDerWaalsContact O-CG1 3.29Å; I320-I324 WeakPolarHBondContact O-CG1 3.49Å; I320-I324 PolarHBondContact O-N 2.93Å; I320-I324 VanDerWaalsContact O-N 3.08Å; I320-L372 HydrophobicContact CG2-CD2 4.44Å |
| 321 | S | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | H318 S319 E323 I324 I325 | H318-S321 WeakPolarHBondContact O-CA 3.22Å; H318-S321 WeakPolarHBondContact O-CB 3.45Å; H318-S321 PolarHBondContact O-N 3.3Å; S319-S321 VanDerWaalsContact C-N 3.33Å; S319-S321 PolarHBondContact O-N 3.11Å; S321-E323 VanDerWaalsContact C-N 3.33Å; S321-E323 PolarHBondContact O-N 3.22Å; S321-I324 PolarHBondContact O-N 3.3Å; S321-I325 WeakPolarHBondContact O-CD1 3.48Å; S321-I325 WeakPolarHBondContact O-CG1 3.47Å; S321-I325 PolarHBondContact O-N 3.44Å |
| 322 | N | 96 | Very high | 94.6 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 32% | 0.316 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 177.9 | -66.1 | -2.3 | 0 | 0 | 0 | 111.6 | E312 S317 H318 S319 I325 E326 | E312-N322 PolarHBondContact OE1-OD1 2.56Å; S317-N322 WeakPolarHBondContact CB-OD1 3.34Å; S317-N322 PolarHBondContact OG-OD1 2.8Å; H318-N322 PolarHBondContact O-N 3.41Å; H318-N322 PolarHBondContact O-OD1 2.94Å; S319-N322 PolarHBondContact O-N 3.47Å; N322-I325 PolarHBondContact O-N 2.89Å; N322-E326 PolarHBondContact O-N 3.34Å |
| 323 | E | 96 | Very high | 94.5 | Very high | 83 Ų | 83 | 47 Ų | 47 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -47 | 175.9 | -167.5 | -170.6 | 162.6 | 0 | 0 | 111.5 | S319 I320 S321 I325 E326 E327 R370 | S319-E323 PolarHBondContact O-N 2.85Å; I320-E323 PolarHBondContact O-N 3.47Å; S321-E323 VanDerWaalsContact C-N 3.33Å; S321-E323 PolarHBondContact O-N 3.22Å; E323-I325 VanDerWaalsContact C-N 3.29Å; E323-I325 PolarHBondContact O-N 3.42Å; E323-E326 PolarHBondContact O-N 2.92Å; E323-E327 WeakPolarHBondContact O-CG 3.48Å; E323-E327 PolarHBondContact O-N 2.86Å; E323-R370 IonicContact OE1-CZ 3.18Å; E323-R370 IonicContact OE1-NH1 2.74Å; E323-R370 PolarHBondContact OE1-NH1 3.39Å; E323-R370 IonicContact OE1-NH2 2.86Å; E323-R370 PolarHBondContact OE1-NH2 3.27Å; E323-R370 IonicContact OE2-CZ 3.82Å; E323-R370 IonicContact OE2-NH1 3.95Å; E323-R370 IonicContact OE2-NH2 2.8Å; E323-R370 PolarHBondContact OE2-NH2 3.11Å |
| 324 | I | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -42.3 | 175.8 | -67.2 | 160.6 | 0 | 0 | 0 | 110.9 | V244 T246 I320 S321 E327 L328 V346 W367 L372 | V244-I324 HydrophobicContact CB-CG2 4.01Å; V244-I324 HydrophobicContact CG1-CD1 3.81Å; V244-I324 HydrophobicContact CG1-CG1 4.31Å; V244-I324 HydrophobicContact CG1-CG2 3.97Å; V244-I324 HydrophobicContact CG2-CG2 4.05Å; T246-I324 HydrophobicContact CG2-CD1 3.71Å; I320-I324 HydrophobicContact CG2-CD1 4.05Å; I320-I324 WeakPolarHBondContact O-CD1 3.28Å; I320-I324 VanDerWaalsContact O-CG1 3.29Å; I320-I324 WeakPolarHBondContact O-CG1 3.49Å; I320-I324 PolarHBondContact O-N 2.93Å; I320-I324 VanDerWaalsContact O-N 3.08Å; S321-I324 PolarHBondContact O-N 3.3Å; I324-E327 PolarHBondContact O-N 3.39Å; I324-L328 HydrophobicContact CG2-CD1 3.98Å; I324-L328 WeakPolarHBondContact O-CB 3.16Å; I324-L328 WeakPolarHBondContact O-CG 3.35Å; I324-L328 PolarHBondContact O-N 2.99Å; I324-V346 HydrophobicContact CB-CG2 4.38Å; I324-V346 HydrophobicContact CD1-CG2 4.47Å; I324-V346 HydrophobicContact CG2-CB 4.05Å; I324-V346 HydrophobicContact CG2-CG1 3.97Å; I324-V346 HydrophobicContact CG2-CG2 4.27Å; I324-W367 HydrophobicContact CG2-CH2 4.13Å; I324-W367 HydrophobicContact CG2-CZ2 3.83Å; I324-L372 HydrophobicContact CD1-CD1 3.97Å; I324-L372 HydrophobicContact CG1-CD1 4.15Å |
| 325 | I | 97.2 | Very high | 94.6 | Very high | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 179.7 | -69.1 | 165.3 | 0 | 0 | 0 | 110.9 | Q308 S321 N322 E323 L328 K329 A335 V337 V346 | Q308-I325 HydrophobicContact CG-CD1 3.9Å; Q308-I325 HydrophobicContact CG-CG2 4.47Å; Q308-I325 VanDerWaalsContact NE2-CD1 3.33Å; S321-I325 WeakPolarHBondContact O-CD1 3.48Å; S321-I325 WeakPolarHBondContact O-CG1 3.47Å; S321-I325 PolarHBondContact O-N 3.44Å; N322-I325 PolarHBondContact O-N 2.89Å; E323-I325 VanDerWaalsContact C-N 3.29Å; E323-I325 PolarHBondContact O-N 3.42Å; I325-L328 PolarHBondContact O-N 3.25Å; I325-K329 WeakPolarHBondContact O-CB 3.27Å; I325-K329 PolarHBondContact O-N 3.35Å; I325-A335 HydrophobicContact CG1-CB 4.08Å; I325-A335 HydrophobicContact CG2-CB 4.4Å; I325-V337 HydrophobicContact CD1-CG1 4.32Å; I325-V346 HydrophobicContact CD1-CG1 4.32Å; I325-V346 HydrophobicContact CD1-CG2 4.35Å; I325-V346 HydrophobicContact CG1-CG1 3.65Å; I325-V346 HydrophobicContact CG1-CG2 4.24Å |
| 326 | E | 97.1 | Very high | 94.7 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 176.6 | -166.8 | 60.8 | -149.4 | 0 | 0 | 111.8 | N322 E323 L328 K329 Q330 | N322-E326 PolarHBondContact O-N 3.34Å; E323-E326 PolarHBondContact O-N 2.92Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.2Å; E326-K329 WeakPolarHBondContact O-CB 3.49Å; E326-K329 PolarHBondContact O-N 3.5Å; E326-K329 IonicContact OE1-NZ 2.92Å; E326-K329 PolarHBondContact OE1-NZ 2.85Å; E326-K329 IonicContact OE2-NZ 2.93Å; E326-K329 PolarHBondContact OE2-NZ 3.29Å; E326-Q330 WeakPolarHBondContact O-CG 3.3Å; E326-Q330 PolarHBondContact O-N 2.8Å; E326-Q330 VanDerWaalsContact O-N 3.09Å |
| 327 | E | 95.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 172.6 | -73.5 | -168.4 | -161.6 | 0 | 0 | 112.1 | E323 I324 Q330 R366 W367 R370 | E323-E327 WeakPolarHBondContact O-CG 3.48Å; E323-E327 PolarHBondContact O-N 2.86Å; I324-E327 PolarHBondContact O-N 3.39Å; E327-Q330 PolarHBondContact O-N 2.95Å; E327-R366 IonicContact OE1-NH1 3.71Å; E327-R366 IonicContact OE2-CZ 3.47Å; E327-R366 IonicContact OE2-NH1 3.17Å; E327-R366 PolarHBondContact OE2-NH1 2.86Å; E327-R366 IonicContact OE2-NH2 2.89Å; E327-R366 PolarHBondContact OE2-NH2 2.81Å; E327-W367 HydrophobicContact CB-CZ2 4.42Å; E327-W367 PolarHBondContact OE2-NE1 2.95Å; E327-R370 IonicContact OE1-NH1 2.79Å; E327-R370 PolarHBondContact OE1-NH1 3.19Å |
| 328 | L | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 176.5 | -78.8 | 170.2 | 0 | 0 | 0 | 112 | L242 I324 I325 E326 Q330 V331 G332 I333 A335 V346 L363 W367 | L242-L328 HydrophobicContact CD2-CD2 3.71Å; I324-L328 HydrophobicContact CG2-CD1 3.98Å; I324-L328 WeakPolarHBondContact O-CB 3.16Å; I324-L328 WeakPolarHBondContact O-CG 3.35Å; I324-L328 PolarHBondContact O-N 2.99Å; I325-L328 PolarHBondContact O-N 3.25Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.2Å; L328-Q330 VanDerWaalsContact C-N 3.31Å; L328-Q330 PolarHBondContact O-N 3.24Å; L328-V331 CarbonylContact O-C 3.52Å; L328-V331 WeakPolarHBondContact O-CG2 3.32Å; L328-V331 PolarHBondContact O-N 3.48Å; L328-G332 PolarHBondContact O-N 3.3Å; L328-I333 CarbonylContact C-O 3.48Å; L328-I333 HydrophobicContact CB-CB 4.24Å; L328-I333 HydrophobicContact CB-CG2 4.5Å; L328-I333 WeakPolarHBondContact CB-O 3.23Å; L328-I333 HydrophobicContact CD2-CB 3.93Å; L328-I333 HydrophobicContact CD2-CD1 3.97Å; L328-I333 HydrophobicContact CD2-CG2 3.91Å; L328-I333 PolarHBondContact O-N 3.44Å; L328-A335 HydrophobicContact CB-CB 4.06Å; L328-A335 HydrophobicContact CD1-CB 3.46Å; L328-A335 VanDerWaalsContact CD1-CB 3.46Å; L328-A335 HydrophobicContact CG-CB 4.39Å; L328-V346 HydrophobicContact CD1-CG1 4.22Å; L328-L363 HydrophobicContact CD2-CD2 3.75Å; L328-L363 HydrophobicContact CG-CD2 4.47Å; L328-W367 HydrophobicContact CD1-CH2 4.13Å; L328-W367 HydrophobicContact CD2-CH2 3.67Å; L328-W367 HydrophobicContact CD2-CZ2 4.41Å; L328-W367 HydrophobicContact CG-CH2 3.77Å; L328-W367 HydrophobicContact CG-CZ2 4.14Å |
| 329 | K | 94.6 | Very high | 94.6 | Very high | 125 Ų | 125 | 38 Ų | 38 | 54% | 0.543 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 176.7 | 178.7 | 176.3 | 155.4 | -136.3 | 0 | 112.4 | I325 E326 V331 G332 | I325-K329 WeakPolarHBondContact O-CB 3.27Å; I325-K329 PolarHBondContact O-N 3.35Å; E326-K329 WeakPolarHBondContact O-CB 3.49Å; E326-K329 PolarHBondContact O-N 3.5Å; E326-K329 IonicContact OE1-NZ 2.92Å; E326-K329 PolarHBondContact OE1-NZ 2.85Å; E326-K329 IonicContact OE2-NZ 2.93Å; E326-K329 PolarHBondContact OE2-NZ 3.29Å; K329-V331 PolarHBondContact O-N 3.48Å; K329-G332 PolarHBondContact O-N 2.87Å |
| 330 | Q | 93 | Very high | 94.2 | Very high | 151 Ų | 151 | 34.3 Ų | 34.3 | 71% | 0.706 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -62.5 | -28.9 | 175.9 | -71.5 | 173.9 | 10.4 | 0 | 0 | 113.3 | E326 E327 L328 | E326-Q330 WeakPolarHBondContact O-CG 3.3Å; E326-Q330 PolarHBondContact O-N 2.8Å; E326-Q330 VanDerWaalsContact O-N 3.09Å; E327-Q330 PolarHBondContact O-N 2.95Å; L328-Q330 VanDerWaalsContact C-N 3.31Å; L328-Q330 PolarHBondContact O-N 3.24Å |
| 331 | V | 91.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 8.3 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | L328 K329 I333 Y355 V359 L363 | L328-V331 CarbonylContact O-C 3.52Å; L328-V331 WeakPolarHBondContact O-CG2 3.32Å; L328-V331 PolarHBondContact O-N 3.48Å; K329-V331 PolarHBondContact O-N 3.48Å; V331-I333 HydrophobicContact CG2-CB 4.44Å; V331-I333 HydrophobicContact CG2-CD1 3.94Å; V331-I333 HydrophobicContact CG2-CG1 4.07Å; V331-Y355 WeakPolarHBondContact O-CE1 3.4Å; V331-Y355 PolarHBondContact O-OH 2.95Å; V331-V359 HydrophobicContact CB-CG1 4.37Å; V331-V359 HydrophobicContact CG1-CG1 3.86Å; V331-L363 HydrophobicContact CG1-CD1 4.1Å; V331-L363 HydrophobicContact CG2-CD1 4.48Å |
| 332 | G | 91 | Very high | 93.6 | Very high | 47 Ų | 47 | 34 Ų | 34 | 49% | 0.485 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 11.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L328 K329 P334 Y355 | L328-G332 PolarHBondContact O-N 3.3Å; K329-G332 PolarHBondContact O-N 2.87Å; G332-P334 WeakPolarHBondContact O-CD 3.27Å; G332-Y355 PolarHBondContact O-OH 2.99Å |
| 333 | I | 93.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | trans | -93.7 | 111.1 | 179.3 | -62.6 | 173.6 | 0 | 0 | 0 | 109 | L328 V331 I350 Y355 L360 | L328-I333 CarbonylContact C-O 3.48Å; L328-I333 HydrophobicContact CB-CB 4.24Å; L328-I333 HydrophobicContact CB-CG2 4.5Å; L328-I333 WeakPolarHBondContact CB-O 3.23Å; L328-I333 HydrophobicContact CD2-CB 3.93Å; L328-I333 HydrophobicContact CD2-CD1 3.97Å; L328-I333 HydrophobicContact CD2-CG2 3.91Å; L328-I333 PolarHBondContact O-N 3.44Å; V331-I333 HydrophobicContact CG2-CB 4.44Å; V331-I333 HydrophobicContact CG2-CD1 3.94Å; V331-I333 HydrophobicContact CG2-CG1 4.07Å; I333-I350 HydrophobicContact CD1-CG1 4.29Å; I333-Y355 HydrophobicContact CD1-CD1 4.25Å; I333-Y355 HydrophobicContact CD1-CE1 3.85Å; I333-Y355 HydrophobicContact CG1-CD1 4.35Å; I333-Y355 HydrophobicContact CG1-CE1 3.51Å; I333-Y355 HydrophobicContact CG1-CE2 4.3Å; I333-Y355 VanDerWaalsContact CG1-CZ 3.47Å; I333-Y355 WeakPolarHBondContact CG1-OH 3.34Å; I333-Y355 PolarHBondContact N-OH 3.37Å; I333-L360 HydrophobicContact CD1-CD1 3.71Å | ||
| 334 | P | 95.6 | Very high | 92.9 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 7% | 0.071 | 15% | 0.146 | C | C | . | . | trans | -66.1 | 137.2 | 172.6 | 26.1 | -32.3 | 0 | 0 | 0 | 110.5 | T301 I304 V305 G332 G348 F349 L351 | T301-P334 HydrophobicContact CG2-CB 4.04Å; T301-P334 HydrophobicContact CG2-CG 4.18Å; I304-P334 HydrophobicContact CB-CB 4.14Å; I304-P334 HydrophobicContact CD1-CB 4.02Å; I304-P334 HydrophobicContact CD1-CG 3.9Å; I304-P334 HydrophobicContact CG2-CB 3.93Å; V305-P334 HydrophobicContact CG2-CB 4.38Å; G332-P334 WeakPolarHBondContact O-CD 3.27Å; P334-G348 WeakPolarHBondContact O-CA 3.44Å; P334-F349 WeakPolarHBondContact CD-O 3.4Å; P334-F349 HydrophobicContact CG-CB 4.28Å; P334-F349 PolarHBondContact O-N 3.49Å; P334-L351 HydrophobicContact CG-CD1 4.22Å | ||
| 335 | A | 97.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I325 L328 V346 V347 | I325-A335 HydrophobicContact CG1-CB 4.08Å; I325-A335 HydrophobicContact CG2-CB 4.4Å; L328-A335 HydrophobicContact CB-CB 4.06Å; L328-A335 HydrophobicContact CD1-CB 3.46Å; L328-A335 VanDerWaalsContact CD1-CB 3.46Å; L328-A335 HydrophobicContact CG-CB 4.39Å; A335-V346 HydrophobicContact CB-CG1 4.05Å; A335-V347 CarbonylContact C-O 3.55Å; A335-V347 WeakPolarHBondContact CA-O 3.45Å; A335-V347 WeakPolarHBondContact CB-O 3.29Å |
| 336 | K | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 161.4 | 175.8 | 56.1 | 175.2 | -77 | -63.6 | 0 | 111.5 | L14 E17 I304 N307 Q308 V346 V347 F349 | L14-K336 WeakPolarHBondContact O-CD 3.38Å; L14-K336 VanDerWaalsContact O-CE 3.29Å; L14-K336 WeakPolarHBondContact O-CE 3.44Å; L14-K336 PolarHBondContact O-NZ 3.02Å; E17-K336 VanDerWaalsContact CD-NZ 3.34Å; E17-K336 WeakPolarHBondContact OE1-CE 3.21Å; E17-K336 IonicContact OE1-NZ 2.59Å; E17-K336 PolarHBondContact OE1-NZ 3.19Å; E17-K336 IonicContact OE2-NZ 3.83Å; I304-K336 HydrophobicContact CG2-CB 4.29Å; I304-K336 HydrophobicContact CG2-CD 4.24Å; I304-K336 HydrophobicContact CG2-CG 4.03Å; N307-K336 VanDerWaalsContact ND2-CE 3.28Å; N307-K336 WeakPolarHBondContact ND2-CE 3.33Å; Q308-K336 HydrophobicContact CB-CB 3.83Å; Q308-K336 HydrophobicContact CG-CB 4.45Å; Q308-K336 VanDerWaalsContact OE1-CA 3.28Å; K336-V346 WeakPolarHBondContact O-CA 3.37Å; K336-V347 PolarHBondContact N-O 2.9Å; K336-V347 PolarHBondContact O-N 2.92Å; K336-F349 HydrophobicContact CD-CE2 4.3Å; K336-F349 HydrophobicContact CG-CE2 4Å |
| 337 | V | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 148.3 | 168.3 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | L311 I325 V346 | L311-V337 HydrophobicContact CB-CG2 4.09Å; L311-V337 HydrophobicContact CD1-CG2 3.66Å; L311-V337 HydrophobicContact CG-CG2 4.4Å; I325-V337 HydrophobicContact CD1-CG1 4.32Å; V337-V346 HydrophobicContact CG1-CG2 4.46Å |
| 338 | T | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -127.5 | 148.1 | 174.2 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | I13 L152 R250 C345 V347 | I13-T338 PolarHBondContact N-OG1 2.98Å; I13-T338 VanDerWaalsContact N-OG1 3.13Å; I13-T338 PolarHBondContact O-OG1 3.11Å; L152-T338 HydrophobicContact CD2-CG2 4.5Å; R250-T338 PolarHBondContact NH2-O 3Å; T338-C345 HydrophobicContact CG2-CB 3.69Å; T338-C345 PolarHBondContact N-O 2.93Å; T338-V347 HydrophobicContact CG2-CB 4.16Å; T338-V347 HydrophobicContact CG2-CG2 4.12Å | ||
| 339 | G | 87.8 | Confident | 92.6 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 8% | 0.082 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -138.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G341 | G339-G341 VanDerWaalsContact C-N 3.31Å; G339-G341 PolarHBondContact O-N 2.98Å |
| 340 | A | 85.1 | Confident | 92.5 | Very high | 9 Ų | 9 | 16 Ų | 16 | 7% | 0.074 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H18 T252 A255 | H18-A340 PolarHBondContact CE1-O 3.28Å; H18-A340 PolarHBondContact NE2-O 3.16Å; T252-A340 HydrophobicContact CG2-CB 4.19Å; A255-A340 HydrophobicContact CB-CB 3.8Å |
| 341 | G | 88 | Confident | 92.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | 69.5 | -168.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R250 V316 G339 G343 | R250-G341 WeakPolarHBondContact CD-O 3.4Å; R250-G341 PolarHBondContact NE-O 2.87Å; V316-G341 CarbonylContact O-C 3.46Å; V316-G341 VanDerWaalsContact O-C 3.31Å; V316-G341 WeakPolarHBondContact O-CA 3.24Å; G339-G341 VanDerWaalsContact C-N 3.31Å; G339-G341 PolarHBondContact O-N 2.98Å; G341-G343 VanDerWaalsContact C-N 3.34Å | ||
| 342 | F | 88.1 | Confident | 91.3 | Very high | 45 Ų | 45 | 9.8 Ų | 9.8 | 20% | 0.197 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 62.7 | 33.5 | -174.7 | -56.4 | -84.1 | 0 | 0 | 0 | 114 | A255 K258 G315 V316 | A255-F342 HydrophobicContact CB-CD2 3.56Å; A255-F342 HydrophobicContact CB-CE2 3.86Å; K258-F342 HydrophobicContact CB-CE2 4.36Å; K258-F342 HydrophobicContact CB-CZ 3.92Å; K258-F342 HydrophobicContact CD-CD1 4.42Å; K258-F342 HydrophobicContact CD-CE1 3.83Å; K258-F342 HydrophobicContact CD-CE2 4.36Å; K258-F342 HydrophobicContact CD-CZ 3.79Å; G315-F342 WeakPolarHBondContact O-CE1 3.07Å; G315-F342 VanDerWaalsContact O-CZ 3.26Å; G315-F342 WeakPolarHBondContact O-CZ 3.36Å; V316-F342 HydrophobicContact CB-CD2 4.34Å; V316-F342 HydrophobicContact CB-CE2 3.95Å; V316-F342 HydrophobicContact CB-CZ 4.34Å; V316-F342 HydrophobicContact CG1-CE2 3.74Å; V316-F342 HydrophobicContact CG1-CZ 4.06Å; V316-F342 PolarHBondContact O-N 3.01Å |
| 343 | G | 87.7 | Confident | 90 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 115.6 | -145.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R250 G341 C345 | R250-G343 PolarHBondContact NE-O 3.41Å; G341-G343 VanDerWaalsContact C-N 3.34Å; G343-C345 PolarHBondContact O-N 3.28Å |
| 344 | G | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 56.2 | -129.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T246 I248 | T246-G344 VanDerWaalsContact CB-O 3.27Å; T246-G344 WeakPolarHBondContact CB-O 3.21Å; T246-G344 WeakPolarHBondContact CG2-O 3.31Å; T246-G344 PolarHBondContact N-O 3.16Å; T246-G344 WeakPolarHBondContact OG1-CA 3.45Å; T246-G344 PolarHBondContact OG1-N 3.47Å; T246-G344 PolarHBondContact OG1-O 2.73Å; I248-G344 PolarHBondContact O-N 2.87Å |
| 345 | C | 94 | Very high | 87.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.5 | -172 | -66 | 0 | 0 | 0 | 0 | 114.7 | C150 L152 I243 V244 T338 G343 | C150-C345 WeakPolarHBondContact CB-SG 3.22Å; C150-C345 PolarHBondContact O-N 2.95Å; C150-C345 PolarHBondContact O-SG 2.77Å; L152-C345 HydrophobicContact CD2-CB 4.26Å; I243-C345 HydrophobicContact CG2-CB 4.21Å; V244-C345 CarbonylContact O-C 3.34Å; V244-C345 VanDerWaalsContact O-CA 3.24Å; V244-C345 WeakPolarHBondContact O-CA 3.34Å; T338-C345 HydrophobicContact CG2-CB 3.69Å; T338-C345 PolarHBondContact N-O 2.93Å; G343-C345 PolarHBondContact O-N 3.28Å |
| 346 | V | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 144 | 155.5 | 173.8 | 0 | 0 | 0 | 0 | 108 | V244 I324 I325 L328 A335 K336 V337 | V244-V346 HydrophobicContact CB-CB 4.46Å; V244-V346 PolarHBondContact N-O 3.01Å; V244-V346 PolarHBondContact O-N 3.16Å; I324-V346 HydrophobicContact CB-CG2 4.38Å; I324-V346 HydrophobicContact CD1-CG2 4.47Å; I324-V346 HydrophobicContact CG2-CB 4.05Å; I324-V346 HydrophobicContact CG2-CG1 3.97Å; I324-V346 HydrophobicContact CG2-CG2 4.27Å; I325-V346 HydrophobicContact CD1-CG1 4.32Å; I325-V346 HydrophobicContact CD1-CG2 4.35Å; I325-V346 HydrophobicContact CG1-CG1 3.65Å; I325-V346 HydrophobicContact CG1-CG2 4.24Å; L328-V346 HydrophobicContact CD1-CG1 4.22Å; A335-V346 HydrophobicContact CB-CG1 4.05Å; K336-V346 WeakPolarHBondContact O-CA 3.37Å; V337-V346 HydrophobicContact CG1-CG2 4.46Å |
| 347 | V | 96.1 | Very high | 86 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.7 | 173.8 | 122.8 | 0 | 0 | 0 | 0 | 107.7 | A12 L241 I243 A335 K336 T338 F349 | A12-V347 HydrophobicContact CB-CG2 4.27Å; L241-V347 HydrophobicContact CB-CG2 4.49Å; L241-V347 HydrophobicContact CD1-CG2 4.28Å; L241-V347 HydrophobicContact CD2-CG1 4.46Å; I243-V347 HydrophobicContact CD1-CG2 3.25Å; A335-V347 CarbonylContact C-O 3.55Å; A335-V347 WeakPolarHBondContact CA-O 3.45Å; A335-V347 WeakPolarHBondContact CB-O 3.29Å; K336-V347 PolarHBondContact N-O 2.9Å; K336-V347 PolarHBondContact O-N 2.92Å; T338-V347 HydrophobicContact CG2-CB 4.16Å; T338-V347 HydrophobicContact CG2-CG2 4.12Å; V347-F349 HydrophobicContact CG1-CD2 3.76Å; V347-F349 HydrophobicContact CG1-CE1 4.38Å; V347-F349 HydrophobicContact CG1-CE2 3.14Å; V347-F349 HydrophobicContact CG1-CZ 3.51Å |
| 348 | G | 96.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L241 L242 P334 | L241-G348 CarbonylContact C-O 3.55Å; L241-G348 WeakPolarHBondContact CA-O 3.45Å; L242-G348 PolarHBondContact N-O 3.12Å; L242-G348 PolarHBondContact O-N 3.49Å; P334-G348 WeakPolarHBondContact O-CA 3.44Å |
| 349 | F | 94.4 | Very high | 85.6 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.2 | -177.7 | -65.7 | -107.8 | 0 | 0 | 0 | 110.2 | L14 L241 I304 P334 K336 V347 L351 | L14-F349 HydrophobicContact CB-CE1 4.48Å; L14-F349 HydrophobicContact CB-CZ 4.41Å; L14-F349 HydrophobicContact CD2-CE1 3.85Å; L14-F349 HydrophobicContact CD2-CZ 4.08Å; L241-F349 HydrophobicContact CD2-CD1 3.55Å; L241-F349 HydrophobicContact CD2-CE1 3.82Å; L241-F349 HydrophobicContact CD2-CG 4.02Å; L241-F349 HydrophobicContact CD2-CZ 4.48Å; I304-F349 HydrophobicContact CD1-CB 3.65Å; I304-F349 HydrophobicContact CD1-CD1 3.8Å; I304-F349 HydrophobicContact CD1-CD2 3.39Å; I304-F349 HydrophobicContact CD1-CE1 4.23Å; I304-F349 HydrophobicContact CD1-CE2 3.84Å; I304-F349 HydrophobicContact CD1-CG 3.35Å; I304-F349 HydrophobicContact CD1-CZ 4.25Å; I304-F349 HydrophobicContact CG1-CD2 3.84Å; I304-F349 HydrophobicContact CG1-CE1 4.46Å; I304-F349 HydrophobicContact CG1-CE2 3.77Å; I304-F349 HydrophobicContact CG1-CG 4.21Å; I304-F349 HydrophobicContact CG1-CZ 4.11Å; I304-F349 HydrophobicContact CG2-CD2 3.92Å; I304-F349 HydrophobicContact CG2-CE2 3.91Å; P334-F349 WeakPolarHBondContact CD-O 3.4Å; P334-F349 HydrophobicContact CG-CB 4.28Å; P334-F349 PolarHBondContact O-N 3.49Å; K336-F349 HydrophobicContact CD-CE2 4.3Å; K336-F349 HydrophobicContact CG-CE2 4Å; V347-F349 HydrophobicContact CG1-CD2 3.76Å; V347-F349 HydrophobicContact CG1-CE1 4.38Å; V347-F349 HydrophobicContact CG1-CE2 3.14Å; V347-F349 HydrophobicContact CG1-CZ 3.51Å; F349-L351 HydrophobicContact CB-CD1 4.36Å; F349-L351 HydrophobicContact CB-CD2 4.03Å; F349-L351 HydrophobicContact CB-CG 4.02Å |
| 350 | I | 92 | Very high | 85.7 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 104.3 | 174.4 | -58.4 | 172.6 | 0 | 0 | 0 | 106.5 | K240 L242 I333 Y355 L360 V376 | K240-I350 HydrophobicContact CB-CB 4.12Å; K240-I350 HydrophobicContact CB-CD1 4.45Å; K240-I350 PolarHBondContact N-O 2.95Å; K240-I350 PolarHBondContact O-N 3.25Å; L242-I350 HydrophobicContact CB-CD1 4.31Å; I333-I350 HydrophobicContact CD1-CG1 4.29Å; I350-Y355 HydrophobicContact CG2-CD2 3.62Å; I350-Y355 HydrophobicContact CG2-CE2 4.25Å; I350-Y355 HydrophobicContact CG2-CG 4.18Å; I350-L360 HydrophobicContact CD1-CD1 4.26Å; I350-L360 HydrophobicContact CD1-CD2 3.9Å; I350-V376 HydrophobicContact CD1-CG1 4.26Å; I350-V376 HydrophobicContact CD1-CG2 4.41Å |
| 351 | L | 87.5 | Confident | 86 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.7 | -169.6 | -58.2 | 177.1 | 0 | 0 | 0 | 111.1 | I239 L300 I304 P334 F349 V353 | I239-L351 HydrophobicContact CB-CD2 4.46Å; I239-L351 HydrophobicContact CD1-CD2 4.5Å; I239-L351 HydrophobicContact CG1-CD2 4.05Å; I239-L351 HydrophobicContact CG2-CD2 3.94Å; L300-L351 HydrophobicContact CB-CD1 4.2Å; L300-L351 HydrophobicContact CD2-CD1 4.02Å; L300-L351 HydrophobicContact CD2-CD2 3.72Å; L300-L351 HydrophobicContact CG-CD1 4.32Å; I304-L351 HydrophobicContact CD1-CD1 4.35Å; P334-L351 HydrophobicContact CG-CD1 4.22Å; F349-L351 HydrophobicContact CB-CD1 4.36Å; F349-L351 HydrophobicContact CB-CD2 4.03Å; F349-L351 HydrophobicContact CB-CG 4.02Å; L351-V353 WeakPolarHBondContact O-CG2 3.24Å; L351-V353 PolarHBondContact O-N 3.33Å |
| 352 | G | 72 | Confident | 86.3 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 65.2 | -5.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | T238 | T238-G352 PolarHBondContact O-N 3.26Š|
| 353 | V | 64.4 | Low | 86.6 | Confident | 97 Ų | 97 | 45.7 Ų | 45.7 | 59% | 0.588 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -108.1 | 134.1 | 179.8 | -164.7 | 0 | 0 | 0 | 0 | 108.9 | L351 Y355 | L351-V353 WeakPolarHBondContact O-CG2 3.24Å; L351-V353 PolarHBondContact O-N 3.33Å; V353-Y355 HydrophobicContact CB-CD2 4.11Å; V353-Y355 HydrophobicContact CB-CE2 4.24Å; V353-Y355 PolarHBondContact O-N 3.18Å |
| 354 | E | 64.1 | Low | 86.9 | Confident | 197 Ų | 197 | 46.5 Ų | 46.5 | 92% | 0.921 | 26% | 0.261 | S | S | * | . | trans | -59.4 | 93.2 | 159 | -79.2 | -169.7 | 158.1 | 0 | 0 | 107.6 | ||||
| 355 | Y | 71.7 | Confident | 87.1 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | trans | -69.1 | 139.3 | 174.5 | -103.3 | -94.3 | 0 | 0 | 0 | 109.1 | V331 G332 I333 I350 V353 N357 | V331-Y355 WeakPolarHBondContact O-CE1 3.4Å; V331-Y355 PolarHBondContact O-OH 2.95Å; G332-Y355 PolarHBondContact O-OH 2.99Å; I333-Y355 HydrophobicContact CD1-CD1 4.25Å; I333-Y355 HydrophobicContact CD1-CE1 3.85Å; I333-Y355 HydrophobicContact CG1-CD1 4.35Å; I333-Y355 HydrophobicContact CG1-CE1 3.51Å; I333-Y355 HydrophobicContact CG1-CE2 4.3Å; I333-Y355 VanDerWaalsContact CG1-CZ 3.47Å; I333-Y355 WeakPolarHBondContact CG1-OH 3.34Å; I333-Y355 PolarHBondContact N-OH 3.37Å; I350-Y355 HydrophobicContact CG2-CD2 3.62Å; I350-Y355 HydrophobicContact CG2-CE2 4.25Å; I350-Y355 HydrophobicContact CG2-CG 4.18Å; V353-Y355 HydrophobicContact CB-CD2 4.11Å; V353-Y355 HydrophobicContact CB-CE2 4.24Å; V353-Y355 PolarHBondContact O-N 3.18Å; Y355-N357 PolarHBondContact O-N 3.05Å | ||
| 356 | D | 79.9 | Confident | 87.2 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | trans | -62 | 106.9 | 171.5 | -172.9 | -14.8 | 0 | 0 | 0 | 109 | S358 V359 L360 | D356-S358 PolarHBondContact O-N 3.25Å; D356-S358 VanDerWaalsContact O-N 3.14Å; D356-S358 VanDerWaalsContact OD1-CB 3.26Å; D356-S358 WeakPolarHBondContact OD1-CB 3.4Å; D356-S358 PolarHBondContact OD1-N 3.32Å; D356-S358 PolarHBondContact OD1-OG 3.49Å; D356-S358 PolarHBondContact OD2-OG 3.37Å; D356-S358 VanDerWaalsContact OD2-OG 3.06Å; D356-V359 HydrophobicContact CB-CB 4.39Å; D356-V359 HydrophobicContact CB-CG2 4Å; D356-V359 PolarHBondContact O-N 3.25Å; D356-V359 VanDerWaalsContact O-N 3.17Å; D356-L360 PolarHBondContact O-N 3.45Å | ||
| 357 | N | 83.9 | Confident | 87.1 | Confident | 113 Ų | 113 | 55.4 Ų | 55.4 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.8 | -25.5 | 179.3 | -73.8 | -43.4 | 0 | 0 | 0 | 111.7 | Y355 N361 | Y355-N357 PolarHBondContact O-N 3.05Å; N357-N361 VanDerWaalsContact O-CB 3.23Å; N357-N361 WeakPolarHBondContact O-CB 3.35Å; N357-N361 PolarHBondContact O-N 3.16Å; N357-N361 PolarHBondContact O-ND2 2.89Å |
| 358 | S | 88.9 | Confident | 87 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 43% | 0.427 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.3 | -48 | 176.8 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | D356 L360 N361 D362 | D356-S358 PolarHBondContact O-N 3.25Å; D356-S358 VanDerWaalsContact O-N 3.14Å; D356-S358 VanDerWaalsContact OD1-CB 3.26Å; D356-S358 WeakPolarHBondContact OD1-CB 3.4Å; D356-S358 PolarHBondContact OD1-N 3.32Å; D356-S358 PolarHBondContact OD1-OG 3.49Å; D356-S358 PolarHBondContact OD2-OG 3.37Å; D356-S358 VanDerWaalsContact OD2-OG 3.06Å; S358-L360 VanDerWaalsContact C-N 3.32Å; S358-L360 PolarHBondContact O-N 3.34Å; S358-N361 PolarHBondContact O-N 3.21Å; S358-D362 WeakPolarHBondContact O-CB 3.27Å; S358-D362 PolarHBondContact O-N 3.09Å |
| 359 | V | 90.1 | Very high | 86.9 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | V331 D356 D362 L363 | V331-V359 HydrophobicContact CB-CG1 4.37Å; V331-V359 HydrophobicContact CG1-CG1 3.86Å; D356-V359 HydrophobicContact CB-CB 4.39Å; D356-V359 HydrophobicContact CB-CG2 4Å; D356-V359 PolarHBondContact O-N 3.25Å; D356-V359 VanDerWaalsContact O-N 3.17Å; V359-D362 PolarHBondContact O-N 3.41Å; V359-L363 PolarHBondContact O-N 3.34Å |
| 360 | L | 90 | Very high | 86.8 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 179.5 | -160.1 | 71.9 | 0 | 0 | 0 | 111.8 | L242 I333 I350 D356 S358 D362 L363 I364 V376 | L242-L360 HydrophobicContact CD2-CD1 3.66Å; I333-L360 HydrophobicContact CD1-CD1 3.71Å; I350-L360 HydrophobicContact CD1-CD1 4.26Å; I350-L360 HydrophobicContact CD1-CD2 3.9Å; D356-L360 PolarHBondContact O-N 3.45Å; S358-L360 VanDerWaalsContact C-N 3.32Å; S358-L360 PolarHBondContact O-N 3.34Å; L360-D362 VanDerWaalsContact C-N 3.34Å; L360-D362 PolarHBondContact O-N 2.76Å; L360-L363 WeakPolarHBondContact O-CB 3.36Å; L360-L363 PolarHBondContact O-N 3.06Å; L360-I364 HydrophobicContact CG-CD1 4.26Å; L360-I364 VanDerWaalsContact O-CG1 3.31Å; L360-I364 WeakPolarHBondContact O-CG1 3.35Å; L360-I364 PolarHBondContact O-N 3.37Å; L360-V376 HydrophobicContact CD2-CG2 3.52Å; L360-V376 HydrophobicContact CG-CG2 4.46Å |
| 361 | N | 92.2 | Very high | 86.8 | Confident | 84 Ų | 84 | 76 Ų | 76 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.1 | -74.4 | -27.4 | 0 | 0 | 0 | 111.6 | N357 S358 I364 N365 | N357-N361 VanDerWaalsContact O-CB 3.23Å; N357-N361 WeakPolarHBondContact O-CB 3.35Å; N357-N361 PolarHBondContact O-N 3.16Å; N357-N361 PolarHBondContact O-ND2 2.89Å; S358-N361 PolarHBondContact O-N 3.21Å; N361-I364 PolarHBondContact O-N 3.01Å; N361-N365 VanDerWaalsContact O-CB 3.29Å; N361-N365 WeakPolarHBondContact O-CB 3.47Å; N361-N365 PolarHBondContact O-N 3.37Å; N361-N365 PolarHBondContact O-ND2 3.02Å; N361-N365 VanDerWaalsContact O-ND2 3.1Å |
| 362 | D | 93.6 | Very high | 87.1 | Confident | 102 Ų | 102 | 76.2 Ų | 76.2 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.2 | -77 | -13.1 | 0 | 0 | 0 | 111.6 | S358 V359 L360 N365 R366 | S358-D362 WeakPolarHBondContact O-CB 3.27Å; S358-D362 PolarHBondContact O-N 3.09Å; V359-D362 PolarHBondContact O-N 3.41Å; L360-D362 VanDerWaalsContact C-N 3.34Å; L360-D362 PolarHBondContact O-N 2.76Å; D362-N365 PolarHBondContact O-N 3.42Å; D362-R366 WeakPolarHBondContact O-CG 3.13Å; D362-R366 PolarHBondContact O-N 2.77Å |
| 363 | L | 93.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.6 | -50.7 | 174.6 | -146.7 | 93.2 | 0 | 0 | 0 | 111.2 | L328 V331 V359 L360 N365 R366 W367 | L328-L363 HydrophobicContact CD2-CD2 3.75Å; L328-L363 HydrophobicContact CG-CD2 4.47Å; V331-L363 HydrophobicContact CG1-CD1 4.1Å; V331-L363 HydrophobicContact CG2-CD1 4.48Å; V359-L363 PolarHBondContact O-N 3.34Å; L360-L363 WeakPolarHBondContact O-CB 3.36Å; L360-L363 PolarHBondContact O-N 3.06Å; L363-N365 VanDerWaalsContact C-N 3.33Å; L363-N365 PolarHBondContact O-N 3.31Å; L363-R366 PolarHBondContact O-N 2.65Å; L363-W367 HydrophobicContact CD2-CE3 4.37Å; L363-W367 HydrophobicContact CD2-CH2 3.13Å; L363-W367 HydrophobicContact CD2-CZ2 3.38Å; L363-W367 HydrophobicContact CD2-CZ3 3.66Å; L363-W367 HydrophobicContact CG-CH2 4.01Å; L363-W367 HydrophobicContact CG-CZ2 3.89Å; L363-W367 HydrophobicContact CG-CZ3 4.33Å; L363-W367 PolarHBondContact O-N 2.97Å |
| 364 | I | 94.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 178.3 | -70.1 | 168.4 | 0 | 0 | 0 | 110.7 | L242 L360 N361 R366 W367 H368 A374 V376 | L242-I364 HydrophobicContact CD1-CD1 4.11Å; L242-I364 HydrophobicContact CD1-CG1 4.21Å; L360-I364 HydrophobicContact CG-CD1 4.26Å; L360-I364 VanDerWaalsContact O-CG1 3.31Å; L360-I364 WeakPolarHBondContact O-CG1 3.35Å; L360-I364 PolarHBondContact O-N 3.37Å; N361-I364 PolarHBondContact O-N 3.01Å; I364-R366 PolarHBondContact O-N 2.85Å; I364-W367 PolarHBondContact O-N 3.13Å; I364-H368 WeakPolarHBondContact CG2-CE1 3.09Å; I364-H368 PolarHBondContact O-N 3.24Å; I364-A374 HydrophobicContact CG1-CB 4.13Å; I364-A374 HydrophobicContact CG2-CB 4.31Å; I364-V376 HydrophobicContact CD1-CG2 4.31Å |
| 365 | N | 94.8 | Very high | 90.8 | Very high | 81 Ų | 81 | 67.4 Ų | 67.4 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 177.7 | -74.6 | -30.7 | 0 | 0 | 0 | 112.3 | N361 D362 L363 W367 H368 K369 | N361-N365 VanDerWaalsContact O-CB 3.29Å; N361-N365 WeakPolarHBondContact O-CB 3.47Å; N361-N365 PolarHBondContact O-N 3.37Å; N361-N365 PolarHBondContact O-ND2 3.02Å; N361-N365 VanDerWaalsContact O-ND2 3.1Å; D362-N365 PolarHBondContact O-N 3.42Å; L363-N365 VanDerWaalsContact C-N 3.33Å; L363-N365 PolarHBondContact O-N 3.31Å; N365-W367 VanDerWaalsContact C-N 3.33Å; N365-H368 PolarHBondContact O-N 3.44Å; N365-K369 WeakPolarHBondContact O-CG 3.47Å; N365-K369 PolarHBondContact O-N 3.12Å; N365-K369 VanDerWaalsContact O-N 3.11Å |
| 366 | R | 95 | Very high | 91.9 | Very high | 106 Ų | 106 | 67.1 Ų | 67.1 | 40% | 0.4 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 173.7 | -72.9 | -170.6 | -53.4 | 108.1 | 8.4 | 111.4 | E327 D362 L363 I364 K369 R370 | E327-R366 IonicContact OE1-NH1 3.71Å; E327-R366 IonicContact OE2-CZ 3.47Å; E327-R366 IonicContact OE2-NH1 3.17Å; E327-R366 PolarHBondContact OE2-NH1 2.86Å; E327-R366 IonicContact OE2-NH2 2.89Å; E327-R366 PolarHBondContact OE2-NH2 2.81Å; D362-R366 WeakPolarHBondContact O-CG 3.13Å; D362-R366 PolarHBondContact O-N 2.77Å; L363-R366 PolarHBondContact O-N 2.65Å; I364-R366 PolarHBondContact O-N 2.85Å; R366-K369 PolarHBondContact O-N 3.46Å; R366-R370 WeakPolarHBondContact O-CG 3.3Å; R366-R370 PolarHBondContact O-N 3.28Å |
| 367 | W | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 177 | -70.8 | -24.4 | 0 | 0 | 0 | 113.2 | L242 V244 I324 E327 L328 L363 I364 N365 K369 R370 S371 L372 A374 | L242-W367 HydrophobicContact CD1-CZ3 4.44Å; L242-W367 HydrophobicContact CD2-CH2 4.16Å; L242-W367 HydrophobicContact CD2-CZ3 3.87Å; L242-W367 HydrophobicContact CG-CZ3 4.28Å; V244-W367 HydrophobicContact CB-CZ3 4.4Å; V244-W367 HydrophobicContact CG1-CD2 4.21Å; V244-W367 HydrophobicContact CG1-CE3 4.02Å; V244-W367 HydrophobicContact CG1-CZ3 4.21Å; V244-W367 HydrophobicContact CG2-CE3 3.9Å; V244-W367 HydrophobicContact CG2-CH2 3.6Å; V244-W367 HydrophobicContact CG2-CZ2 4.49Å; V244-W367 HydrophobicContact CG2-CZ3 3.28Å; I324-W367 HydrophobicContact CG2-CH2 4.13Å; I324-W367 HydrophobicContact CG2-CZ2 3.83Å; E327-W367 HydrophobicContact CB-CZ2 4.42Å; E327-W367 PolarHBondContact OE2-NE1 2.95Å; L328-W367 HydrophobicContact CD1-CH2 4.13Å; L328-W367 HydrophobicContact CD2-CH2 3.67Å; L328-W367 HydrophobicContact CD2-CZ2 4.41Å; L328-W367 HydrophobicContact CG-CH2 3.77Å; L328-W367 HydrophobicContact CG-CZ2 4.14Å; L363-W367 HydrophobicContact CD2-CE3 4.37Å; L363-W367 HydrophobicContact CD2-CH2 3.13Å; L363-W367 HydrophobicContact CD2-CZ2 3.38Å; L363-W367 HydrophobicContact CD2-CZ3 3.66Å; L363-W367 HydrophobicContact CG-CH2 4.01Å; L363-W367 HydrophobicContact CG-CZ2 3.89Å; L363-W367 HydrophobicContact CG-CZ3 4.33Å; L363-W367 PolarHBondContact O-N 2.97Å; I364-W367 PolarHBondContact O-N 3.13Å; N365-W367 VanDerWaalsContact C-N 3.33Å; W367-K369 VanDerWaalsContact C-N 3.27Å; W367-K369 PolarHBondContact O-N 2.91Å; W367-R370 CarbonylContact O-C 3.55Å; W367-R370 WeakPolarHBondContact O-CA 3.46Å; W367-R370 WeakPolarHBondContact O-CB 3.23Å; W367-R370 PolarHBondContact O-N 3.46Å; W367-S371 PolarHBondContact O-N 3.19Å; W367-L372 HydrophobicContact CB-CB 4Å; W367-L372 HydrophobicContact CB-CD1 4.17Å; W367-L372 HydrophobicContact CG-CD1 4.08Å; W367-L372 WeakPolarHBondContact O-CB 3.31Å; W367-L372 PolarHBondContact O-N 3.14Å; W367-A374 HydrophobicContact CE3-CB 3.73Å; W367-A374 HydrophobicContact CZ3-CB 4.19Å |
| 368 | H | 93 | Very high | 92.8 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 40% | 0.403 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 173.1 | -70.5 | 170.5 | 0 | 0 | 0 | 111.9 | I364 N365 R370 S371 L372 A374 | I364-H368 WeakPolarHBondContact CG2-CE1 3.09Å; I364-H368 PolarHBondContact O-N 3.24Å; N365-H368 PolarHBondContact O-N 3.44Å; H368-R370 PolarHBondContact O-N 3.19Å; H368-S371 PolarHBondContact O-N 3.17Å; H368-L372 WeakPolarHBondContact CA-O 3.23Å; H368-L372 PolarHBondContact CD2-O 3.15Å; H368-L372 VanDerWaalsContact CD2-O 3.29Å; H368-A374 PolarHBondContact NE2-N 3.02Å; H368-A374 PolarHBondContact NE2-O 3.02Å |
| 369 | K | 93.9 | Very high | 93 | Very high | 179 Ų | 179 | 58.1 Ų | 58.1 | 78% | 0.778 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.2 | -23.2 | 173.7 | -71.2 | 172.1 | -177.4 | 177.6 | 0 | 113.6 | N365 R366 W367 S371 | N365-K369 WeakPolarHBondContact O-CG 3.47Å; N365-K369 PolarHBondContact O-N 3.12Å; N365-K369 VanDerWaalsContact O-N 3.11Å; R366-K369 PolarHBondContact O-N 3.46Å; W367-K369 VanDerWaalsContact C-N 3.27Å; W367-K369 PolarHBondContact O-N 2.91Å; K369-S371 VanDerWaalsContact C-N 3.31Å |
| 370 | R | 93.1 | Very high | 93 | Very high | 90 Ų | 90 | 57.2 Ų | 57.2 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 14.6 | 175.3 | -65.6 | 171 | 56.2 | 168 | 9.3 | 112.7 | E323 E327 R366 W367 H368 L372 | E323-R370 IonicContact OE1-CZ 3.18Å; E323-R370 IonicContact OE1-NH1 2.74Å; E323-R370 PolarHBondContact OE1-NH1 3.39Å; E323-R370 IonicContact OE1-NH2 2.86Å; E323-R370 PolarHBondContact OE1-NH2 3.27Å; E323-R370 IonicContact OE2-CZ 3.82Å; E323-R370 IonicContact OE2-NH1 3.95Å; E323-R370 IonicContact OE2-NH2 2.8Å; E323-R370 PolarHBondContact OE2-NH2 3.11Å; E327-R370 IonicContact OE1-NH1 2.79Å; E327-R370 PolarHBondContact OE1-NH1 3.19Å; R366-R370 WeakPolarHBondContact O-CG 3.3Å; R366-R370 PolarHBondContact O-N 3.28Å; W367-R370 CarbonylContact O-C 3.55Å; W367-R370 WeakPolarHBondContact O-CA 3.46Å; W367-R370 WeakPolarHBondContact O-CB 3.23Å; W367-R370 PolarHBondContact O-N 3.46Å; H368-R370 PolarHBondContact O-N 3.19Å; R370-L372 HydrophobicContact CB-CG 4.24Å; R370-L372 PolarHBondContact O-N 3.35Å |
| 371 | S | 91.8 | Very high | 93.1 | Very high | 91 Ų | 91 | 57 Ų | 57 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 29.5 | -176.7 | -53 | 0 | 0 | 0 | 0 | 113.5 | N247 W367 H368 K369 | N247-S371 PolarHBondContact ND2-O 3.05Å; W367-S371 PolarHBondContact O-N 3.19Å; H368-S371 PolarHBondContact O-N 3.17Å; K369-S371 VanDerWaalsContact C-N 3.31Å |
| 372 | L | 93.4 | Very high | 93.2 | Very high | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | trans | -94.6 | 155.9 | 166.9 | -53.1 | -176.5 | 0 | 0 | 0 | 108.6 | T246 I320 I324 W367 H368 R370 | T246-L372 WeakPolarHBondContact O-CD2 3.46Å; I320-L372 HydrophobicContact CG2-CD2 4.44Å; I324-L372 HydrophobicContact CD1-CD1 3.97Å; I324-L372 HydrophobicContact CG1-CD1 4.15Å; W367-L372 HydrophobicContact CB-CB 4Å; W367-L372 HydrophobicContact CB-CD1 4.17Å; W367-L372 HydrophobicContact CG-CD1 4.08Å; W367-L372 WeakPolarHBondContact O-CB 3.31Å; W367-L372 PolarHBondContact O-N 3.14Å; H368-L372 WeakPolarHBondContact CA-O 3.23Å; H368-L372 PolarHBondContact CD2-O 3.15Å; H368-L372 VanDerWaalsContact CD2-O 3.29Å; R370-L372 HydrophobicContact CB-CG 4.24Å; R370-L372 PolarHBondContact O-N 3.35Å | ||
| 373 | W | 92.3 | Very high | 93.3 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 27% | 0.265 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.8 | 172.2 | 176.1 | 95.7 | 0 | 0 | 0 | 109.4 | L33 P147 I243 V244 N245 K375 | L33-W373 HydrophobicContact CD1-CH2 3.77Å; L33-W373 HydrophobicContact CD1-CZ3 4.48Å; L33-W373 HydrophobicContact CD2-CH2 4.26Å; P147-W373 HydrophobicContact CG-CD2 3.88Å; P147-W373 HydrophobicContact CG-CE3 3.72Å; P147-W373 HydrophobicContact CG-CH2 3.92Å; P147-W373 HydrophobicContact CG-CZ2 4.07Å; P147-W373 HydrophobicContact CG-CZ3 3.76Å; I243-W373 HydrophobicContact CB-CZ3 4.21Å; I243-W373 HydrophobicContact CG2-CZ3 4.1Å; V244-W373 CarbonylContact C-O 3.58Å; V244-W373 WeakPolarHBondContact CA-O 3.35Å; N245-W373 HydrophobicContact CB-CB 4.23Å; N245-W373 HydrophobicContact CB-CE3 4.06Å; N245-W373 PolarHBondContact N-O 2.99Å; N245-W373 PolarHBondContact O-N 3.23Å; N245-W373 VanDerWaalsContact O-N 3.15Å; W373-K375 HydrophobicContact CH2-CB 3.43Å; W373-K375 VanDerWaalsContact CH2-CB 3.43Å; W373-K375 HydrophobicContact CH2-CD 4.15Å; W373-K375 HydrophobicContact CH2-CG 4.35Å; W373-K375 HydrophobicContact CZ2-CB 3.62Å; W373-K375 HydrophobicContact CZ2-CD 3.85Å; W373-K375 HydrophobicContact CZ2-CG 4.37Å; W373-K375 HydrophobicContact CZ3-CB 4.01Å |
| 374 | A | 94.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 142.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L242 I243 V244 I364 W367 H368 | L242-A374 HydrophobicContact CD1-CB 4.34Å; I243-A374 CarbonylContact O-C 3.57Å; I243-A374 WeakPolarHBondContact O-CA 3.36Å; V244-A374 HydrophobicContact CG1-CB 4.33Å; V244-A374 HydrophobicContact CG2-CB 4.23Å; I364-A374 HydrophobicContact CG1-CB 4.13Å; I364-A374 HydrophobicContact CG2-CB 4.31Å; W367-A374 HydrophobicContact CE3-CB 3.73Å; W367-A374 HydrophobicContact CZ3-CB 4.19Å; H368-A374 PolarHBondContact NE2-N 3.02Å; H368-A374 PolarHBondContact NE2-O 3.02Å |
| 375 | K | 92.7 | Very high | 93.3 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 140.3 | 177.6 | -173.1 | 162.3 | 169 | -171 | 0 | 111.4 | L33 I243 W373 | L33-K375 HydrophobicContact CD2-CD 3.75Å; I243-K375 PolarHBondContact N-O 2.9Å; I243-K375 PolarHBondContact O-N 3.08Å; W373-K375 HydrophobicContact CH2-CB 3.43Å; W373-K375 VanDerWaalsContact CH2-CB 3.43Å; W373-K375 HydrophobicContact CH2-CD 4.15Å; W373-K375 HydrophobicContact CH2-CG 4.35Å; W373-K375 HydrophobicContact CZ2-CB 3.62Å; W373-K375 HydrophobicContact CZ2-CD 3.85Å; W373-K375 HydrophobicContact CZ2-CG 4.37Å; W373-K375 HydrophobicContact CZ3-CB 4.01Å |
| 376 | V | 93.3 | Very high | 93.3 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 30% | 0.303 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 136.1 | 169.3 | -176.2 | 0 | 0 | 0 | 0 | 109 | K240 L241 L242 I350 L360 I364 | K240-V376 HydrophobicContact CB-CG1 4.09Å; K240-V376 HydrophobicContact CD-CG1 4.22Å; L241-V376 CarbonylContact O-C 3.59Å; L241-V376 VanDerWaalsContact O-CA 3.32Å; L241-V376 WeakPolarHBondContact O-CA 3.36Å; L242-V376 HydrophobicContact CD1-CG2 4.06Å; I350-V376 HydrophobicContact CD1-CG1 4.26Å; I350-V376 HydrophobicContact CD1-CG2 4.41Å; L360-V376 HydrophobicContact CD2-CG2 3.52Å; L360-V376 HydrophobicContact CG-CG2 4.46Å; I364-V376 HydrophobicContact CD1-CG2 4.31Å |
| 377 | T | 93 | Very high | 93 | Very high | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153.6 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | I31 E32 L241 I243 | I31-T377 HydrophobicContact CB-CG2 3.83Å; I31-T377 HydrophobicContact CD1-CG2 4.36Å; I31-T377 HydrophobicContact CG2-CG2 4.01Å; E32-T377 PolarHBondContact N-OG1 3.16Å; L241-T377 HydrophobicContact CB-CG2 3.95Å; L241-T377 PolarHBondContact N-O 3.24Å; L241-T377 PolarHBondContact O-N 3.14Å; I243-T377 HydrophobicContact CD1-CG2 4.08Å; I243-T377 HydrophobicContact CG1-CG2 3.76Å |
| 378 | S | 90.9 | Very high | 92.6 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 157.6 | 163.3 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 379 | I | 91.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -88.5 | 177.7 | 164.1 | 64.2 | 170.8 | 0 | 0 | 0 | 110.1 | T29 A30 I233 I239 L241 A381 | T29-I379 HydrophobicContact CG2-CB 3.99Å; T29-I379 HydrophobicContact CG2-CG2 3.83Å; A30-I379 CarbonylContact O-C 3.52Å; I233-I379 HydrophobicContact CD1-CD1 3.68Å; I239-I379 HydrophobicContact CB-CD1 3.78Å; I239-I379 HydrophobicContact CB-CG1 4.46Å; I239-I379 HydrophobicContact CD1-CD1 4.38Å; I239-I379 HydrophobicContact CG2-CD1 3.85Å; I239-I379 HydrophobicContact CG2-CG2 4.35Å; L241-I379 HydrophobicContact CD1-CG2 3.66Å; L241-I379 HydrophobicContact CD2-CG2 4.21Å; L241-I379 HydrophobicContact CG-CG2 3.57Å; I379-A381 PolarHBondContact O-N 3.31Å |
| 380 | E | 90.5 | Very high | 90.9 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 55.5 | 33.2 | 176.7 | -62.4 | -168.5 | 147.4 | 0 | 0 | 114 | T29 A30 T217 I233 S236 T382 | T29-E380 PolarHBondContact OG1-N 3.19Å; T29-E380 VanDerWaalsContact OG1-N 3.09Å; A30-E380 PolarHBondContact O-N 3.28Å; A30-E380 VanDerWaalsContact O-N 3.07Å; T217-E380 WeakPolarHBondContact OG1-CG 3.41Å; I233-E380 WeakPolarHBondContact CB-OE1 3.23Å; I233-E380 HydrophobicContact CD1-CG 4.47Å; I233-E380 WeakPolarHBondContact CG1-OE1 3.33Å; I233-E380 PolarHBondContact N-OE1 3.36Å; S236-E380 WeakPolarHBondContact CB-OE2 3.06Å; S236-E380 PolarHBondContact OG-OE2 3.28Å; E380-T382 PolarHBondContact O-N 2.98Å |
| 381 | A | 93.3 | Very high | 89.3 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | trans | -55.3 | 141.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P9 A30 I31 E32 G215 G216 I379 | P9-A381 HydrophobicContact CB-CB 4.05Å; A30-A381 HydrophobicContact CB-CB 3.95Å; A30-A381 VanDerWaalsContact CB-O 3.23Å; A30-A381 WeakPolarHBondContact CB-O 3.45Å; A30-A381 PolarHBondContact O-N 3.49Å; I31-A381 VanDerWaalsContact C-CB 3.41Å; E32-A381 HydrophobicContact CB-CB 4.44Å; E32-A381 VanDerWaalsContact OE2-CB 3.23Å; E32-A381 WeakPolarHBondContact OE2-CB 3.4Å; G215-A381 CarbonylContact C-O 3.56Å; G215-A381 WeakPolarHBondContact CA-O 3.31Å; G216-A381 PolarHBondContact N-O 3.14Å; I379-A381 PolarHBondContact O-N 3.31Å | ||
| 382 | T | 93.6 | Very high | 89.2 | Confident | 64 Ų | 64 | 51 Ų | 51 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 145 | 172.9 | 54 | 0 | 0 | 0 | 0 | 110.2 | P9 R34 E380 K385 | P9-T382 VanDerWaalsContact CG-O 3.31Å; P9-T382 WeakPolarHBondContact CG-O 3.34Å; R34-T382 PolarHBondContact NH1-O 2.82Å; E380-T382 PolarHBondContact O-N 2.98Å; T382-K385 VanDerWaalsContact OG1-CD 3.24Å; T382-K385 WeakPolarHBondContact OG1-CD 3.48Å; T382-K385 WeakPolarHBondContact OG1-CE 3.43Å; T382-K385 PolarHBondContact OG1-NZ 3.06Å |
| 383 | G | 95.2 | Very high | 88.9 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -65.3 | -146.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R34 C212 T213 G215 K385 | R34-G383 PolarHBondContact NH2-O 2.93Å; C212-G383 CarbonylContact O-C 3.47Å; T213-G383 CarbonylContact O-C 3.09Å; T213-G383 WeakPolarHBondContact O-CA 3.32Å; G215-G383 VanDerWaalsContact CA-N 3.33Å; G215-G383 VanDerWaalsContact N-CA 3.31Å; G383-K385 PolarHBondContact O-N 3.28Å |
| 384 | V | 95.8 | Very high | 88.7 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -59 | 130.4 | 178.9 | 69.6 | 0 | 0 | 0 | 0 | 110.2 | V6 S7 V160 A164 I181 C212 T213 | V6-V384 HydrophobicContact CG1-CG2 3.99Å; S7-V384 CarbonylContact O-C 3.54Å; S7-V384 WeakPolarHBondContact O-CA 3.29Å; V160-V384 HydrophobicContact CG1-CB 3.74Å; V160-V384 HydrophobicContact CG1-CG2 3.91Å; A164-V384 HydrophobicContact CB-CG2 3.77Å; I181-V384 HydrophobicContact CD1-CG1 3.62Å; I181-V384 HydrophobicContact CG2-CG1 3.92Å; C212-V384 PolarHBondContact O-N 3.27Å; T213-V384 HydrophobicContact CG2-CG1 4.35Å; T213-V384 PolarHBondContact O-N 3.43Å |
| 385 | K | 93.3 | Very high | 88.4 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 39% | 0.391 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149.1 | -178.1 | -85.3 | 176 | 155.3 | 156.3 | 0 | 109.6 | V6 S7 T382 G383 | V6-K385 CarbonylContact C-O 3.54Å; V6-K385 VanDerWaalsContact CA-O 3.31Å; V6-K385 WeakPolarHBondContact CA-O 3.43Å; S7-K385 PolarHBondContact N-O 3.33Å; S7-K385 PolarHBondContact O-N 3.39Å; T382-K385 VanDerWaalsContact OG1-CD 3.24Å; T382-K385 WeakPolarHBondContact OG1-CD 3.48Å; T382-K385 WeakPolarHBondContact OG1-CE 3.43Å; T382-K385 PolarHBondContact OG1-NZ 3.06Å; G383-K385 PolarHBondContact O-N 3.28Å |
| 386 | Y | 93.1 | Very high | 88.1 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.6 | 172.1 | 164.9 | -84.1 | 0 | 0 | 0 | 110.2 | F4 V5 V6 L168 L175 V176 W179 A388 F390 | F4-Y386 HydrophobicContact CB-CD2 4.37Å; F4-Y386 HydrophobicContact CB-CE2 3.61Å; F4-Y386 AromaticContact CD2-CD2 3.93Å; F4-Y386 HydrophobicContact CD2-CD2 3.93Å; F4-Y386 AromaticContact CD2-CE2 3.6Å; F4-Y386 HydrophobicContact CD2-CE2 3.6Å; F4-Y386 HydrophobicContact CE2-CE2 4.4Å; F4-Y386 HydrophobicContact CG-CD2 4.46Å; F4-Y386 AromaticContact CG-CE2 3.73Å; F4-Y386 HydrophobicContact CG-CE2 3.73Å; V5-Y386 WeakPolarHBondContact O-CA 3.41Å; V6-Y386 HydrophobicContact CG2-CD2 4.02Å; L168-Y386 HydrophobicContact CD1-CD2 3.47Å; L168-Y386 VanDerWaalsContact CD1-CD2 3.47Å; L168-Y386 HydrophobicContact CD1-CE2 3.66Å; L168-Y386 HydrophobicContact CD2-CE2 4.27Å; L175-Y386 HydrophobicContact CD2-CE2 4.43Å; V176-Y386 WeakPolarHBondContact O-CE1 3.47Å; V176-Y386 VanDerWaalsContact O-CZ 3.22Å; V176-Y386 PolarHBondContact O-OH 2.91Å; W179-Y386 HydrophobicContact CB-CD1 3.31Å; W179-Y386 HydrophobicContact CB-CE1 3.79Å; W179-Y386 HydrophobicContact CB-CG 3.82Å; W179-Y386 HydrophobicContact CE3-CD1 4.49Å; W179-Y386 HydrophobicContact CE3-CD2 4.08Å; W179-Y386 AromaticContact CE3-CG 3.8Å; W179-Y386 HydrophobicContact CE3-CG 3.8Å; W179-Y386 HydrophobicContact CG-CD1 4.47Å; Y386-A388 HydrophobicContact CE1-CB 3.82Å; Y386-A388 HydrophobicContact CE2-CB 4.44Å; Y386-A388 VanDerWaalsContact OH-CB 3.22Å; Y386-A388 WeakPolarHBondContact OH-CB 3.23Å; Y386-F390 WeakPolarHBondContact OH-CZ 3.33Å |
| 387 | S | 89.7 | Confident | 87.8 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.1 | 168.9 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | F4 V5 | F4-S387 CarbonylContact C-O 3.51Å; F4-S387 VanDerWaalsContact CA-O 3.25Å; F4-S387 WeakPolarHBondContact CA-O 3.48Å; F4-S387 WeakPolarHBondContact CB-O 3.33Å; V5-S387 PolarHBondContact N-O 3.39Å; V5-S387 PolarHBondContact O-N 3.27Å |
| 388 | A | 87.1 | Confident | 87.4 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F4 Y386 F390 | F4-A388 HydrophobicContact CB-CB 3.85Å; Y386-A388 HydrophobicContact CE1-CB 3.82Å; Y386-A388 HydrophobicContact CE2-CB 4.44Å; Y386-A388 VanDerWaalsContact OH-CB 3.22Å; Y386-A388 WeakPolarHBondContact OH-CB 3.23Å; A388-F390 HydrophobicContact CB-CD1 4.27Å; A388-F390 HydrophobicContact CB-CD2 4.42Å; A388-F390 HydrophobicContact CB-CE1 3.67Å; A388-F390 HydrophobicContact CB-CE2 3.86Å; A388-F390 HydrophobicContact CB-CZ 3.45Å; A388-F390 VanDerWaalsContact CB-CZ 3.45Å |
| 389 | H | 76 | Confident | 87.2 | Confident | 146 Ų | 146 | 55.8 Ų | 55.8 | 68% | 0.676 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 100.4 | 167 | -68.9 | -58.6 | 0 | 0 | 0 | 107.6 | K3 | K3-H389 PolarHBondContact N-O 2.86Å; K3-H389 CarbonylContact O-C 3.44Å; K3-H389 PolarHBondContact O-N 3.49Å; K3-H389 VanDerWaalsContact O-O 3.07Å |
| 390 | F | 74.3 | Confident | 86.8 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 26% | 0.263 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.6 | 173.5 | -54.7 | -44.8 | 0 | 0 | 0 | 108.3 | K2 L175 V176 Q177 Y386 A388 | K2-F390 HydrophobicContact CB-CD1 3.86Å; K2-F390 HydrophobicContact CB-CE1 4.1Å; K2-F390 HydrophobicContact CD-CD1 4.41Å; K2-F390 HydrophobicContact CD-CE1 4.42Å; K2-F390 HydrophobicContact CG-CD1 3.89Å; K2-F390 HydrophobicContact CG-CE1 4.3Å; L175-F390 HydrophobicContact CB-CZ 4.49Å; L175-F390 HydrophobicContact CD2-CE1 4.03Å; L175-F390 HydrophobicContact CD2-CZ 3.94Å; V176-F390 WeakPolarHBondContact O-CE2 3.48Å; Q177-F390 HydrophobicContact CG-CD2 3.73Å; Q177-F390 HydrophobicContact CG-CE2 4.06Å; Y386-F390 WeakPolarHBondContact OH-CZ 3.33Å; A388-F390 HydrophobicContact CB-CD1 4.27Å; A388-F390 HydrophobicContact CB-CD2 4.42Å; A388-F390 HydrophobicContact CB-CE1 3.67Å; A388-F390 HydrophobicContact CB-CE2 3.86Å; A388-F390 HydrophobicContact CB-CZ 3.45Å; A388-F390 VanDerWaalsContact CB-CZ 3.45Å |
| 391 | L | 59.4 | Low | 86.4 | Confident | 198 Ų | 198 | 61.2 Ų | 61.2 | 100% | 1.037 | 32% | 0.321 | S | S | * | . | trans | -95.4 | 0 | 171.4 | -70.4 | 173 | 0 | 0 | 0 | 110.4 | M1 | M1-L391 PolarHBondContact N-O 3.07Å; M1-L391 PolarHBondContact O-N 2.89Å |
Retrieved 391 of 391 residues in 413.3 ms
(Link to these results)