| 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 | 32.8 | Very low | 35.1 | Very low | 245 Ų | 245 | 112.1 Ų | 112.1 | 100% | 1.207 | 58% | 0.578 | S | S | * | * | 0 | 74.4 | 0 | -121.7 | 164.4 | 69.8 | 0 | 0 | 109.1 | |||||
| 2 | K | 34.5 | Very low | 35.3 | Very low | 206 Ų | 206 | 111.1 Ų | 111.1 | 90% | 0.896 | 58% | 0.58 | S | S | * | * | trans | -75.1 | 130.2 | 163.6 | -77.2 | 177.9 | 178.3 | 174.3 | 0 | 106.1 | F4 | K2-F4 PolarHBondContact O-N 3.27Š| ||
| 3 | C | 36.7 | Very low | 35.7 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | trans | -60.2 | 116.2 | -154.9 | -137.2 | 0 | 0 | 0 | 0 | 112.7 | L5 C6 | C3-L5 HydrophobicContact CB-CB 4.46Å; C3-L5 PolarHBondContact O-N 3.22Å; C3-L5 VanDerWaalsContact O-N 3.1Å; C3-C6 HydrophobicContact CB-CB 4.33Å; C3-C6 WeakPolarHBondContact O-CB 3.22Å; C3-C6 PolarHBondContact O-N 3.16Å | ||
| 4 | F | 32 | Very low | 36.3 | Very low | 144 Ų | 144 | 104.9 Ų | 104.9 | 63% | 0.632 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -54.1 | -27.2 | 167.7 | -140.6 | -98 | 0 | 0 | 0 | 111.1 | K2 C6 L7 T8 | K2-F4 PolarHBondContact O-N 3.27Å; F4-C6 PolarHBondContact O-N 3.39Å; F4-L7 PolarHBondContact O-N 3.32Å; F4-T8 PolarHBondContact O-N 2.94Å; F4-T8 VanDerWaalsContact O-N 3.1Å; F4-T8 PolarHBondContact O-OG1 3.47Å |
| 5 | L | 32.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 102.3 Ų | 102.3 | 67% | 0.67 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.9 | -28.3 | 173.4 | -77.3 | 148.3 | 0 | 0 | 0 | 114.2 | C3 T8 A9 | C3-L5 HydrophobicContact CB-CB 4.46Å; C3-L5 PolarHBondContact O-N 3.22Å; C3-L5 VanDerWaalsContact O-N 3.1Å; L5-T8 WeakPolarHBondContact CA-OG1 3.29Å; L5-T8 PolarHBondContact O-OG1 3.47Å; L5-A9 WeakPolarHBondContact O-CB 3.17Å; L5-A9 PolarHBondContact O-N 3.12Å |
| 6 | C | 36.9 | Very low | 36.4 | Very low | 89 Ų | 89 | 100.3 Ų | 100.3 | 60% | 0.601 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.9 | -33.8 | 175.5 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | C3 F4 A9 F10 | C3-C6 HydrophobicContact CB-CB 4.33Å; C3-C6 WeakPolarHBondContact O-CB 3.22Å; C3-C6 PolarHBondContact O-N 3.16Å; F4-C6 PolarHBondContact O-N 3.39Å; C6-A9 PolarHBondContact O-N 2.79Å; C6-F10 PolarHBondContact O-N 3.21Å |
| 7 | L | 35.7 | Very low | 36.7 | Very low | 59 Ų | 59 | 98.9 Ų | 98.9 | 31% | 0.309 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.5 | -46 | 176.6 | -76.8 | 159.7 | 0 | 0 | 0 | 111.4 | F4 F10 F11 V50 L53 | F4-L7 PolarHBondContact O-N 3.32Å; L7-F10 PolarHBondContact O-N 3.23Å; L7-F11 PolarHBondContact O-N 2.96Å; L7-F11 VanDerWaalsContact O-N 3.15Å; L7-V50 HydrophobicContact CD1-CG2 4.32Å; L7-L53 HydrophobicContact CD2-CD2 3.03Å |
| 8 | T | 33.9 | Very low | 37.1 | Very low | 64 Ų | 64 | 98.8 Ų | 98.8 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.8 | -35.2 | 173.7 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | F4 L5 F11 V12 | F4-T8 PolarHBondContact O-N 2.94Å; F4-T8 VanDerWaalsContact O-N 3.1Å; F4-T8 PolarHBondContact O-OG1 3.47Å; L5-T8 WeakPolarHBondContact CA-OG1 3.29Å; L5-T8 PolarHBondContact O-OG1 3.47Å; T8-F11 PolarHBondContact O-N 3.47Å; T8-V12 WeakPolarHBondContact O-CB 3.22Å; T8-V12 WeakPolarHBondContact O-CG2 3.5Å; T8-V12 PolarHBondContact O-N 3.41Å |
| 9 | A | 35.6 | Very low | 37.5 | Very low | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L5 C6 F11 V12 V13 | L5-A9 WeakPolarHBondContact O-CB 3.17Å; L5-A9 PolarHBondContact O-N 3.12Å; C6-A9 PolarHBondContact O-N 2.79Å; A9-F11 VanDerWaalsContact C-N 3.31Å; A9-F11 PolarHBondContact O-N 3.14Å; A9-V12 PolarHBondContact O-N 3.45Å; A9-V13 VanDerWaalsContact O-CB 3.29Å; A9-V13 WeakPolarHBondContact O-CB 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.34Å; A9-V13 PolarHBondContact O-N 2.76Å |
| 10 | F | 38.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 92.4 Ų | 92.4 | 53% | 0.531 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 176 | -143.7 | -92.7 | 0 | 0 | 0 | 111.3 | C6 L7 V14 | C6-F10 PolarHBondContact O-N 3.21Å; L7-F10 PolarHBondContact O-N 3.23Å; F10-V14 VanDerWaalsContact O-CG2 3.24Å; F10-V14 WeakPolarHBondContact O-CG2 3.23Å; F10-V14 PolarHBondContact O-N 2.85Å |
| 11 | F | 36.3 | Very low | 37.6 | Very low | 64 Ų | 64 | 97 Ų | 97 | 28% | 0.281 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 174.7 | -115.3 | -88.3 | 0 | 0 | 0 | 113.4 | L7 T8 A9 V14 V15 L32 G33 F36 | L7-F11 PolarHBondContact O-N 2.96Å; L7-F11 VanDerWaalsContact O-N 3.15Å; T8-F11 PolarHBondContact O-N 3.47Å; A9-F11 VanDerWaalsContact C-N 3.31Å; A9-F11 PolarHBondContact O-N 3.14Å; F11-V14 PolarHBondContact O-N 3.14Å; F11-V15 HydrophobicContact CD1-CG2 4.2Å; F11-V15 WeakPolarHBondContact O-CB 3.37Å; F11-V15 WeakPolarHBondContact O-CG2 3.42Å; F11-V15 PolarHBondContact O-N 2.62Å; F11-L32 HydrophobicContact CE2-CB 4.37Å; F11-L32 HydrophobicContact CZ-CB 3.76Å; F11-G33 VanDerWaalsContact CZ-N 3.28Å; F11-F36 AromaticContact CE2-CD2 3.74Å; F11-F36 HydrophobicContact CE2-CD2 3.74Å; F11-F36 AromaticContact CE2-CE2 3.8Å; F11-F36 HydrophobicContact CE2-CE2 3.8Å; F11-F36 AromaticContact CZ-CD2 3.71Å; F11-F36 HydrophobicContact CZ-CD2 3.71Å; F11-F36 HydrophobicContact CZ-CE2 4.11Å |
| 12 | V | 38.1 | Very low | 38.1 | Very low | 100 Ų | 100 | 93 Ų | 93 | 61% | 0.606 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.9 | -37.8 | -176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | T8 A9 V14 V15 G16 | T8-V12 WeakPolarHBondContact O-CB 3.22Å; T8-V12 WeakPolarHBondContact O-CG2 3.5Å; T8-V12 PolarHBondContact O-N 3.41Å; A9-V12 PolarHBondContact O-N 3.45Å; V12-V14 VanDerWaalsContact C-N 3.27Å; V12-V14 PolarHBondContact O-N 3Å; V12-V15 PolarHBondContact O-N 3.32Å; V12-G16 PolarHBondContact O-N 3.24Å |
| 13 | V | 40.7 | Very low | 38.2 | Very low | 111 Ų | 111 | 86 Ų | 86 | 67% | 0.673 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.1 | -37.1 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | A9 | A9-V13 VanDerWaalsContact O-CB 3.29Å; A9-V13 WeakPolarHBondContact O-CB 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.34Å; A9-V13 PolarHBondContact O-N 2.76Å |
| 14 | V | 43.7 | Very low | 38.1 | Very low | 25 Ų | 25 | 85.4 Ų | 85.4 | 15% | 0.152 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -75.9 | -45.3 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | F10 F11 V12 G16 D17 F20 T78 F82 | F10-V14 VanDerWaalsContact O-CG2 3.24Å; F10-V14 WeakPolarHBondContact O-CG2 3.23Å; F10-V14 PolarHBondContact O-N 2.85Å; F11-V14 PolarHBondContact O-N 3.14Å; V12-V14 VanDerWaalsContact C-N 3.27Å; V12-V14 PolarHBondContact O-N 3Å; V14-G16 VanDerWaalsContact C-N 3.3Å; V14-G16 PolarHBondContact O-N 3.04Å; V14-D17 PolarHBondContact O-N 3.38Å; V14-F20 HydrophobicContact CG1-CD2 3.41Å; V14-F20 VanDerWaalsContact CG1-CD2 3.41Å; V14-F20 HydrophobicContact CG1-CE2 3.73Å; V14-F20 HydrophobicContact CG1-CG 4.2Å; V14-F20 WeakPolarHBondContact O-CB 3.34Å; V14-F20 VanDerWaalsContact O-CG 3.29Å; V14-F20 WeakPolarHBondContact O-CG 3.32Å; V14-T78 HydrophobicContact CG2-CG2 4.21Å; V14-F82 HydrophobicContact CB-CE2 4.25Å; V14-F82 HydrophobicContact CB-CZ 4.1Å; V14-F82 HydrophobicContact CG1-CE2 3.53Å; V14-F82 HydrophobicContact CG1-CZ 3.62Å; V14-F82 HydrophobicContact CG2-CE2 3.83Å; V14-F82 HydrophobicContact CG2-CZ 3.85Å |
| 15 | V | 39.9 | Very low | 38.5 | Very low | 66 Ų | 66 | 85 Ų | 85 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.2 | -25.5 | -176.3 | -179.8 | 0 | 0 | 0 | 0 | 112.6 | F11 V12 D17 F20 | F11-V15 HydrophobicContact CD1-CG2 4.2Å; F11-V15 WeakPolarHBondContact O-CB 3.37Å; F11-V15 WeakPolarHBondContact O-CG2 3.42Å; F11-V15 PolarHBondContact O-N 2.62Å; V12-V15 PolarHBondContact O-N 3.32Å; V15-D17 VanDerWaalsContact C-N 3.34Å; V15-F20 HydrophobicContact CB-CD1 4.22Å; V15-F20 HydrophobicContact CB-CE1 4.06Å; V15-F20 HydrophobicContact CG1-CD1 4.19Å; V15-F20 HydrophobicContact CG1-CE1 3.92Å; V15-F20 HydrophobicContact CG2-CD1 4.33Å; V15-F20 HydrophobicContact CG2-CE1 3.74Å; V15-F20 HydrophobicContact CG2-CZ 3.84Å |
| 16 | G | 34.3 | Very low | 38.8 | Very low | 70 Ų | 70 | 85.4 Ų | 85.4 | 72% | 0.722 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V12 V14 | V12-G16 PolarHBondContact O-N 3.24Å; V14-G16 VanDerWaalsContact C-N 3.3Å; V14-G16 PolarHBondContact O-N 3.04Å |
| 17 | D | 41.9 | Very low | 39.1 | Very low | 76 Ų | 76 | 84.1 Ų | 84.1 | 41% | 0.406 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -80.8 | 134.3 | -177.3 | -163.2 | -37.7 | 0 | 0 | 0 | 111.7 | V14 V15 G19 F20 R21 | V14-D17 PolarHBondContact O-N 3.38Å; V15-D17 VanDerWaalsContact C-N 3.34Å; D17-G19 PolarHBondContact O-N 3.13Å; D17-G19 VanDerWaalsContact O-N 3.14Å; D17-G19 PolarHBondContact OD1-N 3.22Å; D17-F20 WeakPolarHBondContact O-CB 3.39Å; D17-F20 PolarHBondContact O-N 3.5Å; D17-R21 PolarHBondContact O-N 2.9Å |
| 18 | S | 43.1 | Very low | 39.3 | Very low | 97 Ų | 97 | 85.3 Ų | 85.3 | 68% | 0.678 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.3 | -28.6 | 171.3 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 19 | G | 45.5 | Very low | 39.9 | Very low | 21 Ų | 21 | 85.3 Ų | 85.3 | 22% | 0.216 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D17 K22 W23 | D17-G19 PolarHBondContact O-N 3.13Å; D17-G19 VanDerWaalsContact O-N 3.14Å; D17-G19 PolarHBondContact OD1-N 3.22Å; G19-K22 PolarHBondContact O-N 3.11Å; G19-W23 PolarHBondContact O-N 2.77Å |
| 20 | F | 40 | Very low | 40.2 | Very low | 49 Ų | 49 | 83.9 Ų | 83.9 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 179.5 | -177.3 | -94.3 | 0 | 0 | 0 | 112.7 | V14 V15 D17 K22 W23 S24 | V14-F20 HydrophobicContact CG1-CD2 3.41Å; V14-F20 VanDerWaalsContact CG1-CD2 3.41Å; V14-F20 HydrophobicContact CG1-CE2 3.73Å; V14-F20 HydrophobicContact CG1-CG 4.2Å; V14-F20 WeakPolarHBondContact O-CB 3.34Å; V14-F20 VanDerWaalsContact O-CG 3.29Å; V14-F20 WeakPolarHBondContact O-CG 3.32Å; V15-F20 HydrophobicContact CB-CD1 4.22Å; V15-F20 HydrophobicContact CB-CE1 4.06Å; V15-F20 HydrophobicContact CG1-CD1 4.19Å; V15-F20 HydrophobicContact CG1-CE1 3.92Å; V15-F20 HydrophobicContact CG2-CD1 4.33Å; V15-F20 HydrophobicContact CG2-CE1 3.74Å; V15-F20 HydrophobicContact CG2-CZ 3.84Å; D17-F20 WeakPolarHBondContact O-CB 3.39Å; D17-F20 PolarHBondContact O-N 3.5Å; F20-K22 VanDerWaalsContact C-N 3.33Å; F20-K22 PolarHBondContact O-N 3.22Å; F20-W23 WeakPolarHBondContact O-CA 3.37Å; F20-W23 VanDerWaalsContact O-CB 3.26Å; F20-W23 WeakPolarHBondContact O-CB 3.47Å; F20-W23 PolarHBondContact O-N 3.14Å; F20-S24 PolarHBondContact O-N 3.3Å |
| 21 | R | 37.5 | Very low | 40.7 | Very low | 189 Ų | 189 | 79.3 Ų | 79.3 | 71% | 0.713 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 174.8 | -76.3 | -173.7 | 177.3 | -170.9 | -1.2 | 112.3 | D17 W23 S24 N25 | D17-R21 PolarHBondContact O-N 2.9Å; R21-W23 PolarHBondContact O-N 3.31Å; R21-S24 PolarHBondContact O-OG 2.99Å; R21-N25 PolarHBondContact O-ND2 3.34Å |
| 22 | K | 42.7 | Very low | 41.2 | Very low | 160 Ų | 160 | 76.6 Ų | 76.6 | 70% | 0.696 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.2 | -33.2 | 173.4 | -76.9 | -176.2 | 177.2 | 178.6 | 0 | 112.2 | G19 F20 | G19-K22 PolarHBondContact O-N 3.11Å; F20-K22 VanDerWaalsContact C-N 3.33Å; F20-K22 PolarHBondContact O-N 3.22Å |
| 23 | W | 36.2 | Very low | 41.6 | Very low | 61 Ų | 61 | 72.4 Ų | 72.4 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -75.2 | -42.6 | 179.2 | -103.4 | 84.6 | 0 | 0 | 0 | 115 | G19 F20 R21 N25 L26 E27 L30 R79 I83 | G19-W23 PolarHBondContact O-N 2.77Å; F20-W23 WeakPolarHBondContact O-CA 3.37Å; F20-W23 VanDerWaalsContact O-CB 3.26Å; F20-W23 WeakPolarHBondContact O-CB 3.47Å; F20-W23 PolarHBondContact O-N 3.14Å; R21-W23 PolarHBondContact O-N 3.31Å; W23-N25 PolarHBondContact O-N 3.44Å; W23-N25 VanDerWaalsContact O-N 3.13Å; W23-L26 PolarHBondContact O-N 3.36Å; W23-E27 PolarHBondContact O-N 3.33Å; W23-L30 HydrophobicContact CE3-CD1 4.27Å; W23-L30 HydrophobicContact CZ3-CD1 3.71Å; W23-R79 HydrophobicContact CH2-CB 4.23Å; W23-R79 HydrophobicContact CH2-CG 3.66Å; W23-R79 HydrophobicContact CZ2-CB 3.75Å; W23-R79 HydrophobicContact CZ2-CG 3.33Å; W23-I83 HydrophobicContact CH2-CD1 3.85Å; W23-I83 HydrophobicContact CH2-CG1 3.92Å; W23-I83 HydrophobicContact CZ3-CG1 4.26Å |
| 24 | S | 35.9 | Very low | 41.9 | Very low | 52 Ų | 52 | 73.9 Ų | 73.9 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.7 | -23.1 | 177.8 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | F20 R21 | F20-S24 PolarHBondContact O-N 3.3Å; R21-S24 PolarHBondContact O-OG 2.99Å |
| 25 | N | 39 | Very low | 42 | Very low | 136 Ų | 136 | 74.6 Ų | 74.6 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.7 | 174.6 | -68.6 | -19.6 | 0 | 0 | 0 | 113.4 | R21 W23 | R21-N25 PolarHBondContact O-ND2 3.34Å; W23-N25 PolarHBondContact O-N 3.44Å; W23-N25 VanDerWaalsContact O-N 3.13Å |
| 26 | L | 38.3 | Very low | 42.4 | Very low | 136 Ų | 136 | 72.4 Ų | 72.4 | 71% | 0.712 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -36.1 | -175.6 | -75.4 | 166.4 | 0 | 0 | 0 | 112.4 | W23 | W23-L26 PolarHBondContact O-N 3.36Š|
| 27 | E | 43.6 | Very low | 43.1 | Very low | 62 Ų | 62 | 74.5 Ų | 74.5 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | trans | -147.7 | 106 | 173 | -82.9 | -175.7 | -166.7 | 0 | 0 | 111.3 | W23 S29 L30 | W23-E27 PolarHBondContact O-N 3.33Å; E27-S29 PolarHBondContact O-N 3.32Å; E27-L30 HydrophobicContact CB-CB 4.48Å; E27-L30 HydrophobicContact CB-CD1 3.93Å; E27-L30 HydrophobicContact CB-CG 3.95Å; E27-L30 PolarHBondContact O-N 2.92Å; E27-L30 WeakPolarHBondContact OE2-CD1 3.43Å; E27-L30 WeakPolarHBondContact OE2-CG 3.5Å | ||
| 28 | P | 41.5 | Very low | 43.5 | Very low | 84 Ų | 84 | 76.1 Ų | 76.1 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20.8 | 176.6 | -28.3 | 35.8 | 0 | 0 | 0 | 115.1 | ||
| 29 | S | 45.2 | Very low | 43.7 | Very low | 64 Ų | 64 | 73.8 Ų | 73.8 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.5 | -178 | 52.8 | 0 | 0 | 0 | 0 | 115.1 | E27 | E27-S29 PolarHBondContact O-N 3.32Š|
| 30 | L | 43 | Very low | 43.9 | Very low | 18 Ų | 18 | 77.3 Ų | 77.3 | 9% | 0.094 | 38% | 0.384 | C | S | . | . | trans | -96.6 | -1.7 | -174.4 | -70.6 | -177.5 | 0 | 0 | 0 | 114.7 | W23 E27 L32 A86 | W23-L30 HydrophobicContact CE3-CD1 4.27Å; W23-L30 HydrophobicContact CZ3-CD1 3.71Å; E27-L30 HydrophobicContact CB-CB 4.48Å; E27-L30 HydrophobicContact CB-CD1 3.93Å; E27-L30 HydrophobicContact CB-CG 3.95Å; E27-L30 PolarHBondContact O-N 2.92Å; E27-L30 WeakPolarHBondContact OE2-CD1 3.43Å; E27-L30 WeakPolarHBondContact OE2-CG 3.5Å; L30-L32 PolarHBondContact O-N 3.04Å; L30-L32 VanDerWaalsContact O-N 3.08Å; L30-A86 HydrophobicContact CD2-CB 3.5Å | ||
| 31 | S | 48.5 | Very low | 44.5 | Very low | 25 Ų | 25 | 83.3 Ų | 83.3 | 18% | 0.175 | 41% | 0.409 | C | S | . | . | trans | -78.8 | 103.5 | 173 | 87.2 | 0 | 0 | 0 | 0 | 109.1 | G33 R34 L35 | S31-G33 PolarHBondContact O-N 2.81Å; S31-R34 PolarHBondContact O-N 3.05Å; S31-R34 WeakPolarHBondContact OG-CB 3.47Å; S31-R34 WeakPolarHBondContact OG-CG 3.43Å; S31-R34 PolarHBondContact OG-N 3.4Å; S31-L35 PolarHBondContact O-N 3.34Å | ||
| 32 | L | 46 | Very low | 45.4 | Very low | 6 Ų | 6 | 80.4 Ų | 80.4 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -47.1 | -29.8 | 160.7 | -79.6 | 170.7 | 0 | 0 | 0 | 110.3 | F11 L30 L35 F36 F82 | F11-L32 HydrophobicContact CE2-CB 4.37Å; F11-L32 HydrophobicContact CZ-CB 3.76Å; L30-L32 PolarHBondContact O-N 3.04Å; L30-L32 VanDerWaalsContact O-N 3.08Å; L32-L35 HydrophobicContact CD2-CD1 4.34Å; L32-L35 PolarHBondContact O-N 2.77Å; L32-F36 HydrophobicContact CB-CD2 4.2Å; L32-F36 HydrophobicContact CB-CE2 4.01Å; L32-F36 HydrophobicContact CD2-CE2 4.34Å; L32-F36 WeakPolarHBondContact O-CB 3.36Å; L32-F36 WeakPolarHBondContact O-CD2 3.47Å; L32-F36 WeakPolarHBondContact O-CG 3.39Å; L32-F36 PolarHBondContact O-N 3.16Å; L32-F82 HydrophobicContact CB-CD1 4.49Å; L32-F82 HydrophobicContact CD1-CD1 3.46Å; L32-F82 VanDerWaalsContact CD1-CD1 3.46Å; L32-F82 HydrophobicContact CD1-CE1 3.7Å; L32-F82 HydrophobicContact CG-CD1 4.15Å |
| 33 | G | 46.7 | Very low | 45.5 | Very low | 13 Ų | 13 | 75.7 Ų | 75.7 | 13% | 0.134 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | F11 S31 E37 | F11-G33 VanDerWaalsContact CZ-N 3.28Å; S31-G33 PolarHBondContact O-N 2.81Å; G33-E37 VanDerWaalsContact O-CB 3.22Å; G33-E37 WeakPolarHBondContact O-CB 3.36Å; G33-E37 WeakPolarHBondContact O-CG 3.35Å; G33-E37 PolarHBondContact O-N 2.93Å |
| 34 | R | 46.8 | Very low | 46.1 | Very low | 142 Ų | 142 | 74.9 Ų | 74.9 | 54% | 0.536 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71.5 | -37.1 | 175.3 | -81.7 | 175.9 | -175.6 | -173.7 | 2.6 | 112.2 | S31 E37 Q38 | S31-R34 PolarHBondContact O-N 3.05Å; S31-R34 WeakPolarHBondContact OG-CB 3.47Å; S31-R34 WeakPolarHBondContact OG-CG 3.43Å; S31-R34 PolarHBondContact OG-N 3.4Å; R34-E37 PolarHBondContact O-N 2.77Å; R34-Q38 WeakPolarHBondContact O-CB 3.12Å; R34-Q38 PolarHBondContact O-N 2.97Å |
| 35 | L | 46.5 | Very low | 46.4 | Very low | 40 Ų | 40 | 76.4 Ų | 76.4 | 21% | 0.209 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 173.1 | -83.5 | 161 | 0 | 0 | 0 | 110.5 | S31 L32 Q38 Q39 V89 | S31-L35 PolarHBondContact O-N 3.34Å; L32-L35 HydrophobicContact CD2-CD1 4.34Å; L32-L35 PolarHBondContact O-N 2.77Å; L35-Q38 PolarHBondContact O-N 3.29Å; L35-Q39 WeakPolarHBondContact O-CG 3.41Å; L35-Q39 PolarHBondContact O-N 3.31Å; L35-V89 HydrophobicContact CD1-CG1 4.28Å; L35-V89 HydrophobicContact CD2-CG1 4.09Å |
| 36 | F | 47.7 | Very low | 46.7 | Very low | 20 Ų | 20 | 72 Ų | 72 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 175.9 | -68.5 | -49.3 | 0 | 0 | 0 | 112.7 | F11 L32 V40 N49 L52 | F11-F36 AromaticContact CE2-CD2 3.74Å; F11-F36 HydrophobicContact CE2-CD2 3.74Å; F11-F36 AromaticContact CE2-CE2 3.8Å; F11-F36 HydrophobicContact CE2-CE2 3.8Å; F11-F36 AromaticContact CZ-CD2 3.71Å; F11-F36 HydrophobicContact CZ-CD2 3.71Å; F11-F36 HydrophobicContact CZ-CE2 4.11Å; L32-F36 HydrophobicContact CB-CD2 4.2Å; L32-F36 HydrophobicContact CB-CE2 4.01Å; L32-F36 HydrophobicContact CD2-CE2 4.34Å; L32-F36 WeakPolarHBondContact O-CB 3.36Å; L32-F36 WeakPolarHBondContact O-CD2 3.47Å; L32-F36 WeakPolarHBondContact O-CG 3.39Å; L32-F36 PolarHBondContact O-N 3.16Å; F36-V40 WeakPolarHBondContact O-CB 3.18Å; F36-V40 WeakPolarHBondContact O-CG2 3.33Å; F36-V40 PolarHBondContact O-N 3.27Å; F36-N49 HydrophobicContact CD1-CB 4.42Å; F36-N49 WeakPolarHBondContact CD1-ND2 3.44Å; F36-N49 WeakPolarHBondContact CD1-OD1 3.27Å; F36-N49 HydrophobicContact CE1-CB 4.42Å; F36-N49 WeakPolarHBondContact CE1-OD1 3.49Å; F36-N49 WeakPolarHBondContact CG-ND2 3.34Å; F36-N49 WeakPolarHBondContact CZ-OD1 3.47Å; F36-L52 HydrophobicContact CE1-CD2 4.17Å |
| 37 | E | 49.3 | Very low | 46.9 | Very low | 113 Ų | 113 | 69 Ų | 69 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 174.7 | -81.2 | 173.7 | -168.2 | 0 | 0 | 112.2 | G33 R34 K41 | G33-E37 VanDerWaalsContact O-CB 3.22Å; G33-E37 WeakPolarHBondContact O-CB 3.36Å; G33-E37 WeakPolarHBondContact O-CG 3.35Å; G33-E37 PolarHBondContact O-N 2.93Å; R34-E37 PolarHBondContact O-N 2.77Å; E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 VanDerWaalsContact O-CG 3.24Å; E37-K41 WeakPolarHBondContact O-CG 3.27Å; E37-K41 PolarHBondContact O-N 2.78Å |
| 38 | Q | 50.7 | Low | 47.2 | Very low | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.514 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 178.4 | -174.7 | 174.3 | -18.7 | 0 | 0 | 110.5 | R34 L35 V40 K41 E42 | R34-Q38 WeakPolarHBondContact O-CB 3.12Å; R34-Q38 PolarHBondContact O-N 2.97Å; L35-Q38 PolarHBondContact O-N 3.29Å; Q38-V40 PolarHBondContact O-N 2.94Å; Q38-K41 WeakPolarHBondContact O-CB 3.24Å; Q38-K41 PolarHBondContact O-N 2.94Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.24Å; Q38-E42 PolarHBondContact NE2-OE1 3.06Å; Q38-E42 WeakPolarHBondContact O-CB 3.49Å; Q38-E42 WeakPolarHBondContact O-CG 3.42Å; Q38-E42 PolarHBondContact O-N 2.78Å |
| 39 | Q | 47.5 | Very low | 48.3 | Very low | 48 Ų | 48 | 66.8 Ų | 66.8 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 175.3 | -72.4 | -175 | -31.1 | 0 | 0 | 112.8 | L35 E42 G43 V44 | L35-Q39 WeakPolarHBondContact O-CG 3.41Å; L35-Q39 PolarHBondContact O-N 3.31Å; Q39-E42 PolarHBondContact O-N 2.96Å; Q39-G43 PolarHBondContact O-N 3.28Å; Q39-V44 HydrophobicContact CB-CB 4.19Å; Q39-V44 HydrophobicContact CB-CG2 4.01Å; Q39-V44 HydrophobicContact CG-CG2 4.46Å; Q39-V44 VanDerWaalsContact O-CB 3.28Å; Q39-V44 WeakPolarHBondContact O-CB 3.44Å; Q39-V44 VanDerWaalsContact O-CG2 3.29Å; Q39-V44 WeakPolarHBondContact O-CG2 3.47Å; Q39-V44 PolarHBondContact O-N 3.08Å |
| 40 | V | 48.8 | Very low | 49.6 | Very low | 96 Ų | 96 | 66.3 Ų | 66.3 | 58% | 0.582 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 171.4 | 169 | 0 | 0 | 0 | 0 | 111.2 | F36 Q38 E42 G43 | F36-V40 WeakPolarHBondContact O-CB 3.18Å; F36-V40 WeakPolarHBondContact O-CG2 3.33Å; F36-V40 PolarHBondContact O-N 3.27Å; Q38-V40 PolarHBondContact O-N 2.94Å; V40-E42 VanDerWaalsContact C-N 3.28Å; V40-E42 PolarHBondContact O-N 3.26Å; V40-G43 PolarHBondContact O-N 2.98Å; V40-G43 VanDerWaalsContact O-N 3.14Å |
| 41 | K | 52.7 | Low | 51.2 | Low | 174 Ų | 174 | 71.4 Ų | 71.4 | 76% | 0.757 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.1 | -33 | 174 | -78.3 | 172.4 | -178.2 | 173.7 | 0 | 112.5 | E37 Q38 G43 | E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 VanDerWaalsContact O-CG 3.24Å; E37-K41 WeakPolarHBondContact O-CG 3.27Å; E37-K41 PolarHBondContact O-N 2.78Å; Q38-K41 WeakPolarHBondContact O-CB 3.24Å; Q38-K41 PolarHBondContact O-N 2.94Å; K41-G43 PolarHBondContact O-N 2.81Å |
| 42 | E | 55.7 | Low | 52.9 | Low | 129 Ų | 129 | 71.5 Ų | 71.5 | 60% | 0.603 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 1.3 | 175.7 | -70.7 | 171.4 | -169 | 0 | 0 | 113.2 | Q38 Q39 V40 | Q38-E42 WeakPolarHBondContact CG-OE1 3.24Å; Q38-E42 PolarHBondContact NE2-OE1 3.06Å; Q38-E42 WeakPolarHBondContact O-CB 3.49Å; Q38-E42 WeakPolarHBondContact O-CG 3.42Å; Q38-E42 PolarHBondContact O-N 2.78Å; Q39-E42 PolarHBondContact O-N 2.96Å; V40-E42 VanDerWaalsContact C-N 3.28Å; V40-E42 PolarHBondContact O-N 3.26Å |
| 43 | G | 45.8 | Very low | 54.7 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 62% | 0.619 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 19.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q39 V40 K41 | Q39-G43 PolarHBondContact O-N 3.28Å; V40-G43 PolarHBondContact O-N 2.98Å; V40-G43 VanDerWaalsContact O-N 3.14Å; K41-G43 PolarHBondContact O-N 2.81Å |
| 44 | V | 47.9 | Very low | 56.7 | Low | 45 Ų | 45 | 76.5 Ų | 76.5 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -67.9 | 127.8 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | Q39 V48 | Q39-V44 HydrophobicContact CB-CB 4.19Å; Q39-V44 HydrophobicContact CB-CG2 4.01Å; Q39-V44 HydrophobicContact CG-CG2 4.46Å; Q39-V44 VanDerWaalsContact O-CB 3.28Å; Q39-V44 WeakPolarHBondContact O-CB 3.44Å; Q39-V44 VanDerWaalsContact O-CG2 3.29Å; Q39-V44 WeakPolarHBondContact O-CG2 3.47Å; Q39-V44 PolarHBondContact O-N 3.08Å; V44-V48 HydrophobicContact CG1-CB 3.65Å; V44-V48 HydrophobicContact CG1-CG1 3.8Å; V44-V48 HydrophobicContact CG1-CG2 3.98Å | ||
| 45 | P | 42.5 | Very low | 58.6 | Low | 83 Ų | 83 | 74.2 Ų | 74.2 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | trans | -58.1 | 139.1 | 178.4 | -24.4 | 33.4 | 0 | 0 | 0 | 112.5 | S47 V48 | P45-S47 PolarHBondContact O-N 2.9Å; P45-V48 HydrophobicContact CB-CG2 4.48Å; P45-V48 WeakPolarHBondContact O-CB 3.4Å; P45-V48 PolarHBondContact O-N 3.42Å | ||
| 46 | G | 45.3 | Very low | 60.8 | Low | 45 Ų | 45 | 72.3 Ų | 72.3 | 46% | 0.464 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.7 | -17.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N49 V50 | G46-N49 PolarHBondContact O-N 2.78Å; G46-V50 PolarHBondContact O-N 3.42Å |
| 47 | S | 42.1 | Very low | 62.9 | Low | 71 Ų | 71 | 73.9 Ų | 73.9 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 172.1 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | P45 N49 V50 E51 | P45-S47 PolarHBondContact O-N 2.9Å; S47-N49 VanDerWaalsContact C-N 3.28Å; S47-N49 PolarHBondContact O-N 2.84Å; S47-V50 PolarHBondContact O-N 3.09Å; S47-E51 PolarHBondContact O-N 3.47Å; S47-E51 VanDerWaalsContact O-N 3.11Å |
| 48 | V | 51 | Low | 65 | Low | 60 Ų | 60 | 71.2 Ų | 71.2 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.8 | -34.3 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | V44 P45 L52 | V44-V48 HydrophobicContact CG1-CB 3.65Å; V44-V48 HydrophobicContact CG1-CG1 3.8Å; V44-V48 HydrophobicContact CG1-CG2 3.98Å; P45-V48 HydrophobicContact CB-CG2 4.48Å; P45-V48 WeakPolarHBondContact O-CB 3.4Å; P45-V48 PolarHBondContact O-N 3.42Å; V48-L52 WeakPolarHBondContact O-CB 3.42Å; V48-L52 PolarHBondContact O-N 3.22Å |
| 49 | N | 64.1 | Low | 67 | Low | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.5 | -38 | 176.7 | -171.8 | -32.9 | 0 | 0 | 0 | 111.7 | F36 G46 S47 L53 | F36-N49 HydrophobicContact CD1-CB 4.42Å; F36-N49 WeakPolarHBondContact CD1-ND2 3.44Å; F36-N49 WeakPolarHBondContact CD1-OD1 3.27Å; F36-N49 HydrophobicContact CE1-CB 4.42Å; F36-N49 WeakPolarHBondContact CE1-OD1 3.49Å; F36-N49 WeakPolarHBondContact CG-ND2 3.34Å; F36-N49 WeakPolarHBondContact CZ-OD1 3.47Å; G46-N49 PolarHBondContact O-N 2.78Å; S47-N49 VanDerWaalsContact C-N 3.28Å; S47-N49 PolarHBondContact O-N 2.84Å; N49-L53 WeakPolarHBondContact O-CB 3.48Å; N49-L53 PolarHBondContact O-N 3.13Å; N49-L53 VanDerWaalsContact O-N 3.12Å |
| 50 | V | 72.1 | Confident | 69.4 | Low | 55 Ų | 55 | 65.3 Ų | 65.3 | 33% | 0.333 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | L7 G46 S47 L53 D54 | L7-V50 HydrophobicContact CD1-CG2 4.32Å; G46-V50 PolarHBondContact O-N 3.42Å; S47-V50 PolarHBondContact O-N 3.09Å; V50-L53 PolarHBondContact O-N 3.05Å; V50-D54 PolarHBondContact O-N 3.13Å |
| 51 | E | 78.1 | Confident | 71.6 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 58% | 0.584 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.8 | -47.3 | 177.5 | -71.9 | 175.9 | -178.7 | 0 | 0 | 111.7 | S47 L53 D54 D55 | S47-E51 PolarHBondContact O-N 3.47Å; S47-E51 VanDerWaalsContact O-N 3.11Å; E51-L53 VanDerWaalsContact C-N 3.3Å; E51-L53 PolarHBondContact O-N 2.97Å; E51-D54 PolarHBondContact O-N 2.81Å; E51-D54 VanDerWaalsContact O-N 3.16Å; E51-D55 PolarHBondContact O-N 3.47Å |
| 52 | L | 83 | Confident | 73.5 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 176.7 | 174.2 | 58.7 | 0 | 0 | 0 | 112.1 | F36 V48 D55 I56 V89 M92 | F36-L52 HydrophobicContact CE1-CD2 4.17Å; V48-L52 WeakPolarHBondContact O-CB 3.42Å; V48-L52 PolarHBondContact O-N 3.22Å; L52-D55 PolarHBondContact O-N 2.89Å; L52-I56 HydrophobicContact CD1-CD1 4.1Å; L52-I56 HydrophobicContact CD1-CG1 4.36Å; L52-I56 HydrophobicContact CG-CD1 4.06Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.21Å; L52-V89 HydrophobicContact CD1-CG2 4.47Å; L52-M92 HydrophobicContact CD1-CE 3.11Å; L52-M92 HydrophobicContact CD1-SD 4.13Å |
| 53 | L | 85.3 | Confident | 75.5 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 178.5 | -177.3 | 66.2 | 0 | 0 | 0 | 112.3 | L7 N49 V50 E51 D55 I56 I57 F81 | L7-L53 HydrophobicContact CD2-CD2 3.03Å; N49-L53 WeakPolarHBondContact O-CB 3.48Å; N49-L53 PolarHBondContact O-N 3.13Å; N49-L53 VanDerWaalsContact O-N 3.12Å; V50-L53 PolarHBondContact O-N 3.05Å; E51-L53 VanDerWaalsContact C-N 3.3Å; E51-L53 PolarHBondContact O-N 2.97Å; L53-D55 VanDerWaalsContact C-N 3.28Å; L53-D55 PolarHBondContact O-N 2.88Å; L53-I56 PolarHBondContact O-N 2.96Å; L53-I57 HydrophobicContact CD1-CD1 4.24Å; L53-I57 HydrophobicContact CD1-CG1 4.32Å; L53-I57 HydrophobicContact CD2-CD1 4.38Å; L53-I57 HydrophobicContact CG-CD1 3.87Å; L53-I57 HydrophobicContact CG-CG1 4.37Å; L53-I57 WeakPolarHBondContact O-CB 3.29Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.17Å; L53-I57 PolarHBondContact O-N 3.09Å; L53-F81 HydrophobicContact CD1-CZ 4.5Å |
| 54 | D | 86.9 | Confident | 78 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.7 | -81.3 | -22.5 | 0 | 0 | 0 | 110.9 | V50 E51 I57 A58 | V50-D54 PolarHBondContact O-N 3.13Å; E51-D54 PolarHBondContact O-N 2.81Å; E51-D54 VanDerWaalsContact O-N 3.16Å; D54-I57 PolarHBondContact O-N 3.25Å; D54-A58 WeakPolarHBondContact O-CB 3.36Å; D54-A58 PolarHBondContact O-N 2.94Å |
| 55 | D | 88.2 | Confident | 80.2 | Confident | 94 Ų | 94 | 62.5 Ų | 62.5 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 174.5 | -76.1 | -18.5 | 0 | 0 | 0 | 112.3 | E51 L52 L53 I57 A58 A59 | E51-D55 PolarHBondContact O-N 3.47Å; L52-D55 PolarHBondContact O-N 2.89Å; L53-D55 VanDerWaalsContact C-N 3.28Å; L53-D55 PolarHBondContact O-N 2.88Å; D55-I57 VanDerWaalsContact C-N 3.34Å; D55-I57 PolarHBondContact O-N 3.07Å; D55-A58 PolarHBondContact O-N 2.81Å; D55-A59 VanDerWaalsContact O-CB 3.3Å; D55-A59 WeakPolarHBondContact O-CB 3.31Å; D55-A59 PolarHBondContact O-N 2.87Å |
| 56 | I | 91.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 175.4 | -69.8 | 167.1 | 0 | 0 | 0 | 110.5 | L52 L53 A58 A59 W60 F81 S85 F88 V89 | L52-I56 HydrophobicContact CD1-CD1 4.1Å; L52-I56 HydrophobicContact CD1-CG1 4.36Å; L52-I56 HydrophobicContact CG-CD1 4.06Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.21Å; L53-I56 PolarHBondContact O-N 2.96Å; I56-A58 VanDerWaalsContact C-N 3.35Å; I56-A58 PolarHBondContact O-N 3.34Å; I56-A59 PolarHBondContact O-N 2.96Å; I56-W60 VanDerWaalsContact O-CB 3.23Å; I56-W60 WeakPolarHBondContact O-CB 3.34Å; I56-W60 PolarHBondContact O-N 2.67Å; I56-F81 HydrophobicContact CG2-CE2 3.8Å; I56-F81 HydrophobicContact CG2-CZ 3.83Å; I56-S85 WeakPolarHBondContact CG2-OG 3.37Å; I56-F88 HydrophobicContact CG1-CD1 3.72Å; I56-F88 HydrophobicContact CG1-CE1 4.23Å; I56-V89 HydrophobicContact CD1-CG2 4.05Å |
| 57 | I | 93.2 | Very high | 85 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 179.9 | -71 | 169 | 0 | 0 | 0 | 110.7 | L53 D54 D55 K61 F81 | L53-I57 HydrophobicContact CD1-CD1 4.24Å; L53-I57 HydrophobicContact CD1-CG1 4.32Å; L53-I57 HydrophobicContact CD2-CD1 4.38Å; L53-I57 HydrophobicContact CG-CD1 3.87Å; L53-I57 HydrophobicContact CG-CG1 4.37Å; L53-I57 WeakPolarHBondContact O-CB 3.29Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.17Å; L53-I57 PolarHBondContact O-N 3.09Å; D54-I57 PolarHBondContact O-N 3.25Å; D55-I57 VanDerWaalsContact C-N 3.34Å; D55-I57 PolarHBondContact O-N 3.07Å; I57-K61 HydrophobicContact CG2-CD 4.4Å; I57-K61 WeakPolarHBondContact O-CG 3.48Å; I57-K61 PolarHBondContact O-N 2.87Å; I57-K61 VanDerWaalsContact O-N 3.12Å; I57-F81 HydrophobicContact CG1-CE2 4.43Å; I57-F81 HydrophobicContact CG1-CZ 4.11Å |
| 58 | A | 91.8 | Very high | 87.5 | Confident | 56 Ų | 56 | 67 Ų | 67 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -48.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D54 D55 I56 W60 K61 F62 | D54-A58 WeakPolarHBondContact O-CB 3.36Å; D54-A58 PolarHBondContact O-N 2.94Å; D55-A58 PolarHBondContact O-N 2.81Å; I56-A58 VanDerWaalsContact C-N 3.35Å; I56-A58 PolarHBondContact O-N 3.34Å; A58-W60 VanDerWaalsContact C-N 3.32Å; A58-W60 PolarHBondContact O-N 2.85Å; A58-K61 PolarHBondContact O-N 2.91Å; A58-F62 PolarHBondContact O-N 3.02Å |
| 59 | A | 94.1 | Very high | 89.6 | Confident | 19 Ų | 19 | 67 Ų | 67 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D55 I56 F62 F63 F84 F88 | D55-A59 VanDerWaalsContact O-CB 3.3Å; D55-A59 WeakPolarHBondContact O-CB 3.31Å; D55-A59 PolarHBondContact O-N 2.87Å; I56-A59 PolarHBondContact O-N 2.96Å; A59-F62 PolarHBondContact O-N 3.35Å; A59-F63 VanDerWaalsContact O-CB 3.24Å; A59-F63 WeakPolarHBondContact O-CB 3.38Å; A59-F63 PolarHBondContact O-N 3.38Å; A59-F84 HydrophobicContact CB-CE1 4.05Å; A59-F84 HydrophobicContact CB-CZ 3.96Å; A59-F88 HydrophobicContact CB-CD2 4.01Å; A59-F88 HydrophobicContact CB-CE1 4.21Å; A59-F88 HydrophobicContact CB-CE2 3.42Å; A59-F88 VanDerWaalsContact CB-CE2 3.42Å; A59-F88 HydrophobicContact CB-CZ 3.53Å |
| 60 | W | 96.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 69.7 Ų | 69.7 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 175.7 | 174.4 | -121.8 | 0 | 0 | 0 | 112.5 | I56 A58 F62 F63 K64 Y71 E77 R80 F81 F84 D114 | I56-W60 VanDerWaalsContact O-CB 3.23Å; I56-W60 WeakPolarHBondContact O-CB 3.34Å; I56-W60 PolarHBondContact O-N 2.67Å; A58-W60 VanDerWaalsContact C-N 3.32Å; A58-W60 PolarHBondContact O-N 2.85Å; W60-F62 VanDerWaalsContact C-N 3.34Å; W60-F62 PolarHBondContact O-N 2.87Å; W60-F63 AromaticContact CE3-CD1 3.6Å; W60-F63 HydrophobicContact CE3-CD1 3.6Å; W60-F63 HydrophobicContact CE3-CE1 4.14Å; W60-F63 HydrophobicContact CH2-CD1 4.48Å; W60-F63 HydrophobicContact CH2-CE1 4.34Å; W60-F63 AromaticContact CZ3-CD1 3.51Å; W60-F63 HydrophobicContact CZ3-CD1 3.51Å; W60-F63 AromaticContact CZ3-CE1 3.55Å; W60-F63 HydrophobicContact CZ3-CE1 3.55Å; W60-F63 PolarHBondContact O-N 3.16Å; W60-K64 HydrophobicContact CD2-CD 4.36Å; W60-K64 HydrophobicContact CD2-CG 4.13Å; W60-K64 HydrophobicContact CE3-CG 4.41Å; W60-K64 HydrophobicContact CH2-CD 4.47Å; W60-K64 HydrophobicContact CH2-CG 4.34Å; W60-K64 HydrophobicContact CZ2-CD 3.75Å; W60-K64 HydrophobicContact CZ2-CG 4.04Å; W60-K64 WeakPolarHBondContact O-CG 3.24Å; W60-K64 PolarHBondContact O-N 3.33Å; W60-Y71 HydrophobicContact CH2-CD2 4.4Å; W60-Y71 AromaticContact CH2-CE2 3.35Å; W60-Y71 HydrophobicContact CH2-CE2 3.35Å; W60-Y71 AromaticContact CH2-CZ 3.56Å; W60-Y71 WeakPolarHBondContact CH2-OH 3.11Å; W60-Y71 HydrophobicContact CZ2-CD2 4.25Å; W60-Y71 AromaticContact CZ2-CE2 3.49Å; W60-Y71 HydrophobicContact CZ2-CE2 3.49Å; W60-Y71 VanDerWaalsContact CZ2-CE2 3.49Å; W60-Y71 HydrophobicContact CZ3-CE2 4.46Å; W60-E77 HydrophobicContact CZ2-CG 4.22Å; W60-R80 HydrophobicContact CH2-CB 3.72Å; W60-R80 HydrophobicContact CZ2-CB 4.43Å; W60-F81 HydrophobicContact CB-CD2 3.99Å; W60-F81 HydrophobicContact CB-CE2 3.92Å; W60-F81 AromaticContact CD1-CD2 3.55Å; W60-F81 AromaticContact CD1-CE2 3.98Å; W60-F81 AromaticContact CD2-CD2 3.78Å; W60-F81 HydrophobicContact CD2-CD2 3.78Å; W60-F81 AromaticContact CE2-CD2 3.93Å; W60-F81 HydrophobicContact CE3-CD2 4.47Å; W60-F81 AromaticContact CG-CD2 3.52Å; W60-F81 HydrophobicContact CG-CD2 3.52Å; W60-F81 AromaticContact CG-CE2 3.92Å; W60-F81 HydrophobicContact CG-CE2 3.92Å; W60-F81 HydrophobicContact CZ2-CB 4.11Å; W60-F81 AromaticContact NE1-CD2 3.79Å; W60-F84 HydrophobicContact CB-CD1 4.14Å; W60-F84 HydrophobicContact CB-CE1 3.98Å; W60-F84 HydrophobicContact CD2-CD1 4.5Å; W60-F84 HydrophobicContact CE3-CB 3.68Å; W60-F84 AromaticContact CE3-CD1 3.75Å; W60-F84 HydrophobicContact CE3-CD1 3.75Å; W60-F84 AromaticContact CE3-CD2 3.7Å; W60-F84 HydrophobicContact CE3-CD2 3.7Å; W60-F84 HydrophobicContact CE3-CE1 4.33Å; W60-F84 HydrophobicContact CE3-CE2 4.28Å; W60-F84 AromaticContact CE3-CG 3.41Å; W60-F84 HydrophobicContact CE3-CG 3.41Å; W60-F84 VanDerWaalsContact CE3-CG 3.41Å; W60-F84 HydrophobicContact CZ3-CB 3.59Å; W60-F84 AromaticContact CZ3-CD2 3.94Å; W60-F84 HydrophobicContact CZ3-CD2 3.94Å; W60-F84 AromaticContact CZ3-CG 3.77Å; W60-F84 HydrophobicContact CZ3-CG 3.77Å; W60-D114 HydrophobicContact CZ3-CB 4.21Å |
| 61 | K | 95.5 | Very high | 92.2 | Very high | 124 Ų | 124 | 69.1 Ų | 69.1 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.9 | -72.9 | 171 | -175.9 | 174.6 | 0 | 111.2 | I57 A58 K64 I65 | I57-K61 HydrophobicContact CG2-CD 4.4Å; I57-K61 WeakPolarHBondContact O-CG 3.48Å; I57-K61 PolarHBondContact O-N 2.87Å; I57-K61 VanDerWaalsContact O-N 3.12Å; A58-K61 PolarHBondContact O-N 2.91Å; K61-K64 PolarHBondContact O-N 3.34Å; K61-I65 WeakPolarHBondContact O-CG1 3.19Å; K61-I65 PolarHBondContact O-N 3.06Å |
| 62 | F | 93.3 | Very high | 93 | Very high | 133 Ų | 133 | 70.5 Ų | 70.5 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.1 | -46.1 | 177.8 | -175.6 | -100.9 | 0 | 0 | 0 | 111.9 | A58 A59 W60 K64 I65 Q66 | A58-F62 PolarHBondContact O-N 3.02Å; A59-F62 PolarHBondContact O-N 3.35Å; W60-F62 VanDerWaalsContact C-N 3.34Å; W60-F62 PolarHBondContact O-N 2.87Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 2.91Å; F62-I65 PolarHBondContact O-N 3.34Å; F62-I65 VanDerWaalsContact O-N 3.13Å; F62-Q66 HydrophobicContact CE1-CB 4.4Å; F62-Q66 WeakPolarHBondContact O-CB 3.34Å; F62-Q66 PolarHBondContact O-N 3Å |
| 63 | F | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.4 | -47.8 | 175.7 | 166.7 | -102 | 0 | 0 | 0 | 112 | A59 W60 I65 Q66 F67 R69 Y71 F84 V109 N110 D114 | A59-F63 VanDerWaalsContact O-CB 3.24Å; A59-F63 WeakPolarHBondContact O-CB 3.38Å; A59-F63 PolarHBondContact O-N 3.38Å; W60-F63 AromaticContact CE3-CD1 3.6Å; W60-F63 HydrophobicContact CE3-CD1 3.6Å; W60-F63 HydrophobicContact CE3-CE1 4.14Å; W60-F63 HydrophobicContact CH2-CD1 4.48Å; W60-F63 HydrophobicContact CH2-CE1 4.34Å; W60-F63 AromaticContact CZ3-CD1 3.51Å; W60-F63 HydrophobicContact CZ3-CD1 3.51Å; W60-F63 AromaticContact CZ3-CE1 3.55Å; W60-F63 HydrophobicContact CZ3-CE1 3.55Å; W60-F63 PolarHBondContact O-N 3.16Å; F63-I65 VanDerWaalsContact C-N 3.31Å; F63-I65 PolarHBondContact O-N 3.27Å; F63-Q66 PolarHBondContact O-N 3.23Å; F63-F67 AromaticContact CD2-CD2 3.29Å; F63-F67 HydrophobicContact CD2-CD2 3.29Å; F63-F67 AromaticContact CD2-CE2 3.77Å; F63-F67 HydrophobicContact CD2-CE2 3.77Å; F63-F67 HydrophobicContact CD2-CG 4.29Å; F63-F67 HydrophobicContact CE2-CB 4.32Å; F63-F67 AromaticContact CE2-CD2 3.46Å; F63-F67 HydrophobicContact CE2-CD2 3.46Å; F63-F67 VanDerWaalsContact CE2-CD2 3.46Å; F63-F67 HydrophobicContact CE2-CE2 4.09Å; F63-F67 HydrophobicContact CE2-CG 4.08Å; F63-F67 HydrophobicContact CG-CD2 4.23Å; F63-F67 WeakPolarHBondContact O-CD2 3.26Å; F63-F67 PolarHBondContact O-N 3.19Å; F63-R69 HydrophobicContact CD1-CG 4.21Å; F63-R69 HydrophobicContact CE1-CG 3.61Å; F63-R69 HydrophobicContact CZ-CG 3.9Å; F63-R69 VanDerWaalsContact CZ-NE 3.34Å; F63-Y71 WeakPolarHBondContact CE1-OH 3.3Å; F63-F84 HydrophobicContact CB-CD2 4.35Å; F63-F84 HydrophobicContact CB-CE2 3.52Å; F63-F84 HydrophobicContact CB-CZ 3.95Å; F63-F84 AromaticContact CD1-CD2 3.79Å; F63-F84 HydrophobicContact CD1-CD2 3.79Å; F63-F84 AromaticContact CD1-CE2 3.82Å; F63-F84 HydrophobicContact CD1-CE2 3.82Å; F63-F84 HydrophobicContact CD2-CD2 4.28Å; F63-F84 AromaticContact CD2-CE2 3.84Å; F63-F84 HydrophobicContact CD2-CE2 3.84Å; F63-F84 HydrophobicContact CE1-CD2 4.12Å; F63-F84 AromaticContact CG-CD2 3.87Å; F63-F84 HydrophobicContact CG-CD2 3.87Å; F63-F84 AromaticContact CG-CE2 3.43Å; F63-F84 HydrophobicContact CG-CE2 3.43Å; F63-F84 VanDerWaalsContact CG-CE2 3.43Å; F63-F84 HydrophobicContact CG-CZ 4.33Å; F63-V109 HydrophobicContact CB-CG1 4.07Å; F63-V109 HydrophobicContact CD2-CG1 3.61Å; F63-V109 HydrophobicContact CG-CG1 4.24Å; F63-N110 WeakPolarHBondContact CE2-O 3.33Å; F63-D114 HydrophobicContact CE1-CB 3.7Å; F63-D114 HydrophobicContact CZ-CB 3.72Å |
| 64 | K | 97.7 | Very high | 94 | Very high | 55 Ų | 55 | 76 Ų | 76 | 24% | 0.239 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 178.5 | -70.8 | -163.8 | -65 | 172.7 | 0 | 112.5 | W60 K61 F62 K68 R69 Y71 E77 | W60-K64 HydrophobicContact CD2-CD 4.36Å; W60-K64 HydrophobicContact CD2-CG 4.13Å; W60-K64 HydrophobicContact CE3-CG 4.41Å; W60-K64 HydrophobicContact CH2-CD 4.47Å; W60-K64 HydrophobicContact CH2-CG 4.34Å; W60-K64 HydrophobicContact CZ2-CD 3.75Å; W60-K64 HydrophobicContact CZ2-CG 4.04Å; W60-K64 WeakPolarHBondContact O-CG 3.24Å; W60-K64 PolarHBondContact O-N 3.33Å; K61-K64 PolarHBondContact O-N 3.34Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 2.91Å; K64-K68 CarbonylContact O-C 3.49Å; K64-K68 VanDerWaalsContact O-CA 3.29Å; K64-K68 WeakPolarHBondContact O-CA 3.5Å; K64-K68 PolarHBondContact O-N 3Å; K64-R69 HydrophobicContact CB-CB 4.12Å; K64-R69 HydrophobicContact CG-CB 3.98Å; K64-R69 PolarHBondContact O-N 3.03Å; K64-Y71 HydrophobicContact CD-CE2 4.02Å; K64-Y71 HydrophobicContact CG-CE2 4.3Å; K64-E77 IonicContact NZ-OE1 2.65Å; K64-E77 PolarHBondContact NZ-OE1 2.92Å |
| 65 | I | 94.6 | Very high | 94.3 | Very high | 134 Ų | 134 | 77 Ų | 77 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.1 | -51.4 | 177.6 | -66.6 | 167.6 | 0 | 0 | 0 | 110.3 | K61 F62 F63 F67 K68 | K61-I65 WeakPolarHBondContact O-CG1 3.19Å; K61-I65 PolarHBondContact O-N 3.06Å; F62-I65 PolarHBondContact O-N 3.34Å; F62-I65 VanDerWaalsContact O-N 3.13Å; F63-I65 VanDerWaalsContact C-N 3.31Å; F63-I65 PolarHBondContact O-N 3.27Å; I65-F67 PolarHBondContact O-N 2.79Å; I65-K68 PolarHBondContact O-N 2.94Å |
| 66 | Q | 93.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 74.6 Ų | 74.6 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | -177.2 | -179.2 | -180 | -8.8 | 0 | 0 | 111.6 | F62 F63 E342 | F62-Q66 HydrophobicContact CE1-CB 4.4Å; F62-Q66 WeakPolarHBondContact O-CB 3.34Å; F62-Q66 PolarHBondContact O-N 3Å; F63-Q66 PolarHBondContact O-N 3.23Å; Q66-E342 PolarHBondContact NE2-OE2 3.09Å |
| 67 | F | 94.7 | Very high | 94.9 | Very high | 31 Ų | 31 | 77.4 Ų | 77.4 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 15.2 | -176.3 | -61.4 | -74.5 | 0 | 0 | 0 | 113.4 | F63 I65 R69 V109 N110 E111 E342 | F63-F67 AromaticContact CD2-CD2 3.29Å; F63-F67 HydrophobicContact CD2-CD2 3.29Å; F63-F67 AromaticContact CD2-CE2 3.77Å; F63-F67 HydrophobicContact CD2-CE2 3.77Å; F63-F67 HydrophobicContact CD2-CG 4.29Å; F63-F67 HydrophobicContact CE2-CB 4.32Å; F63-F67 AromaticContact CE2-CD2 3.46Å; F63-F67 HydrophobicContact CE2-CD2 3.46Å; F63-F67 VanDerWaalsContact CE2-CD2 3.46Å; F63-F67 HydrophobicContact CE2-CE2 4.09Å; F63-F67 HydrophobicContact CE2-CG 4.08Å; F63-F67 HydrophobicContact CG-CD2 4.23Å; F63-F67 WeakPolarHBondContact O-CD2 3.26Å; F63-F67 PolarHBondContact O-N 3.19Å; I65-F67 PolarHBondContact O-N 2.79Å; F67-R69 HydrophobicContact CB-CG 4.11Å; F67-R69 PolarHBondContact O-N 3.07Å; F67-R69 VanDerWaalsContact O-N 3.12Å; F67-V109 HydrophobicContact CE2-CG1 4.31Å; F67-N110 VanDerWaalsContact CZ-CA 3.47Å; F67-E111 HydrophobicContact CD1-CB 3.67Å; F67-E111 HydrophobicContact CE1-CB 3.88Å; F67-E111 HydrophobicContact CG-CB 4.36Å; F67-E342 HydrophobicContact CE1-CB 4.04Å; F67-E342 HydrophobicContact CE1-CG 4.2Å |
| 68 | K | 95.9 | Very high | 95 | Very high | 188 Ų | 188 | 76.1 Ų | 76.1 | 82% | 0.817 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 42.7 | 177 | -56.3 | 176.9 | -175.4 | 173.9 | 0 | 112.7 | K64 I65 A70 | K64-K68 CarbonylContact O-C 3.49Å; K64-K68 VanDerWaalsContact O-CA 3.29Å; K64-K68 WeakPolarHBondContact O-CA 3.5Å; K64-K68 PolarHBondContact O-N 3Å; I65-K68 PolarHBondContact O-N 2.94Å; K68-A70 PolarHBondContact O-N 2.89Å |
| 69 | R | 95.4 | Very high | 95.1 | Very high | 60 Ų | 60 | 76 Ų | 76 | 23% | 0.226 | 38% | 0.384 | C | S | . | . | trans | -73.6 | 126 | -175.2 | -63 | -72.5 | 174.6 | -175.3 | -12.1 | 110.9 | F63 K64 F67 Y71 E111 D114 | F63-R69 HydrophobicContact CD1-CG 4.21Å; F63-R69 HydrophobicContact CE1-CG 3.61Å; F63-R69 HydrophobicContact CZ-CG 3.9Å; F63-R69 VanDerWaalsContact CZ-NE 3.34Å; K64-R69 HydrophobicContact CB-CB 4.12Å; K64-R69 HydrophobicContact CG-CB 3.98Å; K64-R69 PolarHBondContact O-N 3.03Å; F67-R69 HydrophobicContact CB-CG 4.11Å; F67-R69 PolarHBondContact O-N 3.07Å; F67-R69 VanDerWaalsContact O-N 3.12Å; R69-Y71 HydrophobicContact CB-CE2 3.91Å; R69-Y71 WeakPolarHBondContact CD-OH 3.36Å; R69-E111 VanDerWaalsContact NH2-C 3.33Å; R69-E111 PolarHBondContact NH2-O 2.59Å; R69-D114 IonicContact CZ-OD1 3.99Å; R69-D114 IonicContact CZ-OD2 3.61Å; R69-D114 IonicContact NE-OD1 3.53Å; R69-D114 IonicContact NE-OD2 3.02Å; R69-D114 IonicContact NH1-OD1 2.76Å; R69-D114 IonicContact NH1-OD2 3.96Å; R69-D114 IonicContact NH2-OD1 2.67Å | ||
| 70 | A | 94.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 76.3 Ų | 76.3 | 80% | 0.802 | 38% | 0.381 | S | S | * | . | trans | -129.8 | 131.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | K68 | K68-A70 PolarHBondContact O-N 2.89Š| ||
| 71 | Y | 96 | Very high | 95.2 | Very high | 42 Ų | 42 | 76.8 Ų | 76.8 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | trans | -114.1 | 149.8 | -176 | -58.3 | -66 | 0 | 0 | 0 | 110.9 | W60 F63 K64 R69 G73 E76 E77 R80 D114 | W60-Y71 HydrophobicContact CH2-CD2 4.4Å; W60-Y71 AromaticContact CH2-CE2 3.35Å; W60-Y71 HydrophobicContact CH2-CE2 3.35Å; W60-Y71 AromaticContact CH2-CZ 3.56Å; W60-Y71 WeakPolarHBondContact CH2-OH 3.11Å; W60-Y71 HydrophobicContact CZ2-CD2 4.25Å; W60-Y71 AromaticContact CZ2-CE2 3.49Å; W60-Y71 HydrophobicContact CZ2-CE2 3.49Å; W60-Y71 VanDerWaalsContact CZ2-CE2 3.49Å; W60-Y71 HydrophobicContact CZ3-CE2 4.46Å; F63-Y71 WeakPolarHBondContact CE1-OH 3.3Å; K64-Y71 HydrophobicContact CD-CE2 4.02Å; K64-Y71 HydrophobicContact CG-CE2 4.3Å; R69-Y71 HydrophobicContact CB-CE2 3.91Å; R69-Y71 WeakPolarHBondContact CD-OH 3.36Å; Y71-G73 PolarHBondContact O-N 3.38Å; Y71-E76 HydrophobicContact CD1-CG 4.23Å; Y71-E76 HydrophobicContact CG-CG 4.48Å; Y71-E77 HydrophobicContact CD2-CB 4.03Å; Y71-E77 HydrophobicContact CD2-CG 3.89Å; Y71-E77 HydrophobicContact CG-CB 4.34Å; Y71-R80 HydrophobicContact CD1-CB 4.2Å; Y71-R80 HydrophobicContact CD1-CG 3.61Å; Y71-R80 HydrophobicContact CE1-CB 3.78Å; Y71-R80 HydrophobicContact CE1-CG 3.42Å; Y71-R80 VanDerWaalsContact CE1-CG 3.42Å; Y71-R80 HydrophobicContact CE2-CB 4.18Å; Y71-R80 HydrophobicContact CG-CG 4.28Å; Y71-D114 WeakPolarHBondContact CE1-OD2 3.35Å; Y71-D114 PolarHBondContact OH-OD2 3.19Å | ||
| 72 | N | 95.1 | Very high | 95.2 | Very high | 155 Ų | 155 | 72 Ų | 72 | 83% | 0.829 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -79.5 | 84.6 | -179 | -170.8 | 17.6 | 0 | 0 | 0 | 111.1 | ||
| 73 | G | 94.6 | Very high | 95.3 | Very high | 42 Ų | 42 | 65.7 Ų | 65.7 | 43% | 0.433 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | 80 | 170.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y71 H75 E76 E77 | Y71-G73 PolarHBondContact O-N 3.38Å; G73-H75 VanDerWaalsContact C-N 3.28Å; G73-H75 PolarHBondContact O-N 2.7Å; G73-E76 PolarHBondContact O-N 2.88Å; G73-E77 PolarHBondContact O-N 2.89Å; G73-E77 VanDerWaalsContact O-N 3.09Å |
| 74 | I | 93.8 | Very high | 95.3 | Very high | 126 Ų | 126 | 65.7 Ų | 65.7 | 65% | 0.646 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63 | -32.2 | -172.3 | -172.1 | 57.7 | 0 | 0 | 0 | 113.3 | T78 | I74-T78 WeakPolarHBondContact O-CB 3.45Å; I74-T78 PolarHBondContact O-N 3.41Å; I74-T78 PolarHBondContact O-OG1 2.65Å |
| 75 | H | 93.6 | Very high | 95.2 | Very high | 117 Ų | 117 | 63 Ų | 63 | 54% | 0.542 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.2 | -47.5 | 179.4 | 179.4 | -80.8 | 0 | 0 | 0 | 111.5 | G73 T78 R79 | G73-H75 VanDerWaalsContact C-N 3.28Å; G73-H75 PolarHBondContact O-N 2.7Å; H75-T78 PolarHBondContact O-N 3Å; H75-R79 WeakPolarHBondContact O-CB 3.34Å; H75-R79 PolarHBondContact O-N 2.92Å |
| 76 | E | 96.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -43 | 176.6 | 179.6 | 62.7 | -176.6 | 0 | 0 | 111.1 | Y71 G73 T78 R79 R80 | Y71-E76 HydrophobicContact CD1-CG 4.23Å; Y71-E76 HydrophobicContact CG-CG 4.48Å; G73-E76 PolarHBondContact O-N 2.88Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 3.36Å; E76-R79 WeakPolarHBondContact O-CB 3.27Å; E76-R79 PolarHBondContact O-N 3.27Å; E76-R79 IonicContact OE1-NH1 3.87Å; E76-R79 VanDerWaalsContact OE2-CD 3.27Å; E76-R79 WeakPolarHBondContact OE2-CD 3.13Å; E76-R80 HydrophobicContact CG-CG 4.28Å; E76-R80 WeakPolarHBondContact O-CB 3.4Å; E76-R80 WeakPolarHBondContact O-CG 3.33Å; E76-R80 PolarHBondContact O-N 2.72Å; E76-R80 IonicContact OE1-CZ 3.2Å; E76-R80 IonicContact OE1-NE 2.74Å; E76-R80 PolarHBondContact OE1-NE 3.29Å; E76-R80 IonicContact OE1-NH2 2.7Å; E76-R80 PolarHBondContact OE1-NH2 2.83Å |
| 77 | E | 96.5 | Very high | 95.2 | Very high | 58 Ų | 58 | 54 Ų | 54 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 177.1 | -176.6 | 165.4 | -170.8 | 0 | 0 | 111.9 | W60 K64 Y71 G73 R80 F81 | W60-E77 HydrophobicContact CZ2-CG 4.22Å; K64-E77 IonicContact NZ-OE1 2.65Å; K64-E77 PolarHBondContact NZ-OE1 2.92Å; Y71-E77 HydrophobicContact CD2-CB 4.03Å; Y71-E77 HydrophobicContact CD2-CG 3.89Å; Y71-E77 HydrophobicContact CG-CB 4.34Å; G73-E77 PolarHBondContact O-N 2.89Å; G73-E77 VanDerWaalsContact O-N 3.09Å; E77-R80 PolarHBondContact O-N 2.96Å; E77-F81 WeakPolarHBondContact O-CB 3.16Å; E77-F81 PolarHBondContact O-N 2.88Å |
| 78 | T | 94 | Very high | 95.2 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 17% | 0.172 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 177 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | V14 I74 H75 E76 R80 F81 F82 | V14-T78 HydrophobicContact CG2-CG2 4.21Å; I74-T78 WeakPolarHBondContact O-CB 3.45Å; I74-T78 PolarHBondContact O-N 3.41Å; I74-T78 PolarHBondContact O-OG1 2.65Å; H75-T78 PolarHBondContact O-N 3Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 3.36Å; T78-R80 VanDerWaalsContact C-N 3.3Å; T78-R80 PolarHBondContact O-N 3.38Å; T78-F81 PolarHBondContact O-N 3.15Å; T78-F82 HydrophobicContact CG2-CD2 3.92Å; T78-F82 HydrophobicContact CG2-CE2 3.48Å; T78-F82 VanDerWaalsContact CG2-CE2 3.48Å; T78-F82 WeakPolarHBondContact O-CD2 3.46Å; T78-F82 PolarHBondContact O-N 2.96Å; T78-F82 VanDerWaalsContact O-N 3.08Å |
| 79 | R | 95 | Very high | 95 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.3 | -48.7 | 172.6 | 147.7 | 165.9 | -139.1 | -89.4 | -8.8 | 111.4 | W23 H75 E76 F82 I83 E119 | W23-R79 HydrophobicContact CH2-CB 4.23Å; W23-R79 HydrophobicContact CH2-CG 3.66Å; W23-R79 HydrophobicContact CZ2-CB 3.75Å; W23-R79 HydrophobicContact CZ2-CG 3.33Å; H75-R79 WeakPolarHBondContact O-CB 3.34Å; H75-R79 PolarHBondContact O-N 2.92Å; E76-R79 WeakPolarHBondContact O-CB 3.27Å; E76-R79 PolarHBondContact O-N 3.27Å; E76-R79 IonicContact OE1-NH1 3.87Å; E76-R79 VanDerWaalsContact OE2-CD 3.27Å; E76-R79 WeakPolarHBondContact OE2-CD 3.13Å; R79-F82 PolarHBondContact O-N 2.95Å; R79-I83 HydrophobicContact CG-CD1 4.09Å; R79-I83 WeakPolarHBondContact O-CG1 3.42Å; R79-I83 PolarHBondContact O-N 3.15Å; R79-E119 IonicContact NH1-OE1 3.18Å; R79-E119 IonicContact NH2-OE2 2.72Å |
| 80 | R | 97.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -37.9 | -176.6 | -66.2 | -77.5 | 177.8 | -157.5 | -2.7 | 112 | W60 Y71 E76 E77 T78 F82 I83 F84 D114 E119 | W60-R80 HydrophobicContact CH2-CB 3.72Å; W60-R80 HydrophobicContact CZ2-CB 4.43Å; Y71-R80 HydrophobicContact CD1-CB 4.2Å; Y71-R80 HydrophobicContact CD1-CG 3.61Å; Y71-R80 HydrophobicContact CE1-CB 3.78Å; Y71-R80 HydrophobicContact CE1-CG 3.42Å; Y71-R80 VanDerWaalsContact CE1-CG 3.42Å; Y71-R80 HydrophobicContact CE2-CB 4.18Å; Y71-R80 HydrophobicContact CG-CG 4.28Å; E76-R80 HydrophobicContact CG-CG 4.28Å; E76-R80 WeakPolarHBondContact O-CB 3.4Å; E76-R80 WeakPolarHBondContact O-CG 3.33Å; E76-R80 PolarHBondContact O-N 2.72Å; E76-R80 IonicContact OE1-CZ 3.2Å; E76-R80 IonicContact OE1-NE 2.74Å; E76-R80 PolarHBondContact OE1-NE 3.29Å; E76-R80 IonicContact OE1-NH2 2.7Å; E76-R80 PolarHBondContact OE1-NH2 2.83Å; E77-R80 PolarHBondContact O-N 2.96Å; T78-R80 VanDerWaalsContact C-N 3.3Å; T78-R80 PolarHBondContact O-N 3.38Å; R80-F82 VanDerWaalsContact C-N 3.33Å; R80-F82 PolarHBondContact O-N 3.13Å; R80-I83 PolarHBondContact O-N 3.34Å; R80-F84 VanDerWaalsContact O-CB 3.28Å; R80-F84 WeakPolarHBondContact O-CB 3.19Å; R80-F84 PolarHBondContact O-N 2.87Å; R80-D114 HydrophobicContact CB-CB 4.43Å; R80-D114 VanDerWaalsContact CD-O 3.23Å; R80-D114 WeakPolarHBondContact CD-O 3.32Å; R80-D114 PolarHBondContact NH1-O 3.16Å; R80-E119 IonicContact CZ-OE1 2.86Å; R80-E119 VanDerWaalsContact NH1-CD 3.27Å; R80-E119 IonicContact NH1-OE1 3.93Å; R80-E119 PolarHBondContact NH1-OE1 2.62Å; R80-E119 IonicContact NH1-OE2 3.16Å; R80-E119 PolarHBondContact NH1-OE2 3.45Å; R80-E119 IonicContact NH2-OE1 2.7Å; R80-E119 PolarHBondContact NH2-OE1 3.34Å |
| 81 | F | 96.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 172.9 | 178.7 | -109.2 | 0 | 0 | 0 | 111.9 | L53 I56 I57 W60 E77 T78 F84 S85 | L53-F81 HydrophobicContact CD1-CZ 4.5Å; I56-F81 HydrophobicContact CG2-CE2 3.8Å; I56-F81 HydrophobicContact CG2-CZ 3.83Å; I57-F81 HydrophobicContact CG1-CE2 4.43Å; I57-F81 HydrophobicContact CG1-CZ 4.11Å; W60-F81 HydrophobicContact CB-CD2 3.99Å; W60-F81 HydrophobicContact CB-CE2 3.92Å; W60-F81 AromaticContact CD1-CD2 3.55Å; W60-F81 AromaticContact CD1-CE2 3.98Å; W60-F81 AromaticContact CD2-CD2 3.78Å; W60-F81 HydrophobicContact CD2-CD2 3.78Å; W60-F81 AromaticContact CE2-CD2 3.93Å; W60-F81 HydrophobicContact CE3-CD2 4.47Å; W60-F81 AromaticContact CG-CD2 3.52Å; W60-F81 HydrophobicContact CG-CD2 3.52Å; W60-F81 AromaticContact CG-CE2 3.92Å; W60-F81 HydrophobicContact CG-CE2 3.92Å; W60-F81 HydrophobicContact CZ2-CB 4.11Å; W60-F81 AromaticContact NE1-CD2 3.79Å; E77-F81 WeakPolarHBondContact O-CB 3.16Å; E77-F81 PolarHBondContact O-N 2.88Å; T78-F81 PolarHBondContact O-N 3.15Å; F81-F84 PolarHBondContact O-N 3.46Å; F81-S85 VanDerWaalsContact O-CB 3.31Å; F81-S85 WeakPolarHBondContact O-CB 3.49Å; F81-S85 PolarHBondContact O-N 2.75Å; F81-S85 PolarHBondContact O-OG 3.22Å |
| 82 | F | 94.4 | Very high | 94.6 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 10% | 0.101 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.7 | -78.5 | -66.1 | 0 | 0 | 0 | 113 | V14 L32 T78 R79 R80 S85 A86 | V14-F82 HydrophobicContact CB-CE2 4.25Å; V14-F82 HydrophobicContact CB-CZ 4.1Å; V14-F82 HydrophobicContact CG1-CE2 3.53Å; V14-F82 HydrophobicContact CG1-CZ 3.62Å; V14-F82 HydrophobicContact CG2-CE2 3.83Å; V14-F82 HydrophobicContact CG2-CZ 3.85Å; L32-F82 HydrophobicContact CB-CD1 4.49Å; L32-F82 HydrophobicContact CD1-CD1 3.46Å; L32-F82 VanDerWaalsContact CD1-CD1 3.46Å; L32-F82 HydrophobicContact CD1-CE1 3.7Å; L32-F82 HydrophobicContact CG-CD1 4.15Å; T78-F82 HydrophobicContact CG2-CD2 3.92Å; T78-F82 HydrophobicContact CG2-CE2 3.48Å; T78-F82 VanDerWaalsContact CG2-CE2 3.48Å; T78-F82 WeakPolarHBondContact O-CD2 3.46Å; T78-F82 PolarHBondContact O-N 2.96Å; T78-F82 VanDerWaalsContact O-N 3.08Å; R79-F82 PolarHBondContact O-N 2.95Å; R80-F82 VanDerWaalsContact C-N 3.33Å; R80-F82 PolarHBondContact O-N 3.13Å; F82-S85 PolarHBondContact O-N 3.22Å; F82-A86 PolarHBondContact O-N 3.02Å |
| 83 | I | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 175.9 | -64.2 | 160.3 | 0 | 0 | 0 | 110.2 | W23 R79 R80 S85 A86 N87 D114 K115 T116 | W23-I83 HydrophobicContact CH2-CD1 3.85Å; W23-I83 HydrophobicContact CH2-CG1 3.92Å; W23-I83 HydrophobicContact CZ3-CG1 4.26Å; R79-I83 HydrophobicContact CG-CD1 4.09Å; R79-I83 WeakPolarHBondContact O-CG1 3.42Å; R79-I83 PolarHBondContact O-N 3.15Å; R80-I83 PolarHBondContact O-N 3.34Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 2.87Å; I83-A86 PolarHBondContact O-N 2.83Å; I83-N87 WeakPolarHBondContact O-CB 3.22Å; I83-N87 PolarHBondContact O-N 3.02Å; I83-N87 PolarHBondContact O-ND2 2.57Å; I83-D114 VanDerWaalsContact CG2-C 3.5Å; I83-K115 WeakPolarHBondContact CG2-O 3.38Å; I83-T116 HydrophobicContact CD1-CG2 3.66Å; I83-T116 HydrophobicContact CG1-CG2 3.98Å; I83-T116 HydrophobicContact CG2-CG2 4.45Å |
| 84 | F | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.3 | -48.2 | 176.9 | 178 | -86.7 | 0 | 0 | 0 | 111.5 | A59 W60 F63 R80 F81 A86 N87 F88 V109 T113 | A59-F84 HydrophobicContact CB-CE1 4.05Å; A59-F84 HydrophobicContact CB-CZ 3.96Å; W60-F84 HydrophobicContact CB-CD1 4.14Å; W60-F84 HydrophobicContact CB-CE1 3.98Å; W60-F84 HydrophobicContact CD2-CD1 4.5Å; W60-F84 HydrophobicContact CE3-CB 3.68Å; W60-F84 AromaticContact CE3-CD1 3.75Å; W60-F84 HydrophobicContact CE3-CD1 3.75Å; W60-F84 AromaticContact CE3-CD2 3.7Å; W60-F84 HydrophobicContact CE3-CD2 3.7Å; W60-F84 HydrophobicContact CE3-CE1 4.33Å; W60-F84 HydrophobicContact CE3-CE2 4.28Å; W60-F84 AromaticContact CE3-CG 3.41Å; W60-F84 HydrophobicContact CE3-CG 3.41Å; W60-F84 VanDerWaalsContact CE3-CG 3.41Å; W60-F84 HydrophobicContact CZ3-CB 3.59Å; W60-F84 AromaticContact CZ3-CD2 3.94Å; W60-F84 HydrophobicContact CZ3-CD2 3.94Å; W60-F84 AromaticContact CZ3-CG 3.77Å; W60-F84 HydrophobicContact CZ3-CG 3.77Å; F63-F84 HydrophobicContact CB-CD2 4.35Å; F63-F84 HydrophobicContact CB-CE2 3.52Å; F63-F84 HydrophobicContact CB-CZ 3.95Å; F63-F84 AromaticContact CD1-CD2 3.79Å; F63-F84 HydrophobicContact CD1-CD2 3.79Å; F63-F84 AromaticContact CD1-CE2 3.82Å; F63-F84 HydrophobicContact CD1-CE2 3.82Å; F63-F84 HydrophobicContact CD2-CD2 4.28Å; F63-F84 AromaticContact CD2-CE2 3.84Å; F63-F84 HydrophobicContact CD2-CE2 3.84Å; F63-F84 HydrophobicContact CE1-CD2 4.12Å; F63-F84 AromaticContact CG-CD2 3.87Å; F63-F84 HydrophobicContact CG-CD2 3.87Å; F63-F84 AromaticContact CG-CE2 3.43Å; F63-F84 HydrophobicContact CG-CE2 3.43Å; F63-F84 VanDerWaalsContact CG-CE2 3.43Å; F63-F84 HydrophobicContact CG-CZ 4.33Å; R80-F84 VanDerWaalsContact O-CB 3.28Å; R80-F84 WeakPolarHBondContact O-CB 3.19Å; R80-F84 PolarHBondContact O-N 2.87Å; F81-F84 PolarHBondContact O-N 3.46Å; F84-A86 PolarHBondContact O-N 3.11Å; F84-N87 PolarHBondContact O-N 2.87Å; F84-F88 HydrophobicContact CD1-CB 4.43Å; F84-F88 HydrophobicContact CE1-CB 4.17Å; F84-F88 HydrophobicContact CE1-CD2 4.19Å; F84-F88 HydrophobicContact CE1-CG 4.25Å; F84-F88 HydrophobicContact CZ-CD2 4.09Å; F84-F88 WeakPolarHBondContact O-CB 3.3Å; F84-F88 PolarHBondContact O-N 2.98Å; F84-V109 HydrophobicContact CE2-CG1 3.99Å; F84-V109 HydrophobicContact CE2-CG2 4.42Å; F84-V109 HydrophobicContact CZ-CG1 4.44Å; F84-V109 HydrophobicContact CZ-CG2 4.28Å; F84-T113 WeakPolarHBondContact CA-O 3.44Å; F84-T113 HydrophobicContact CD2-CG2 3.45Å; F84-T113 VanDerWaalsContact CD2-CG2 3.45Å; F84-T113 HydrophobicContact CE2-CG2 3.58Å; F84-T113 HydrophobicContact CG-CG2 4.22Å; F84-T113 HydrophobicContact CZ-CG2 4.43Å |
| 85 | S | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | -178.2 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | I56 F81 F82 I83 F88 V89 | I56-S85 WeakPolarHBondContact CG2-OG 3.37Å; F81-S85 VanDerWaalsContact O-CB 3.31Å; F81-S85 WeakPolarHBondContact O-CB 3.49Å; F81-S85 PolarHBondContact O-N 2.75Å; F81-S85 PolarHBondContact O-OG 3.22Å; F82-S85 PolarHBondContact O-N 3.22Å; I83-S85 VanDerWaalsContact C-N 3.32Å; I83-S85 PolarHBondContact O-N 2.87Å; S85-F88 PolarHBondContact O-N 3.41Å; S85-V89 WeakPolarHBondContact O-CG2 3.26Å; S85-V89 PolarHBondContact O-N 3.42Å |
| 86 | A | 92.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L30 F82 I83 F84 K90 | L30-A86 HydrophobicContact CD2-CB 3.5Å; F82-A86 PolarHBondContact O-N 3.02Å; I83-A86 PolarHBondContact O-N 2.83Å; F84-A86 PolarHBondContact O-N 3.11Å; A86-K90 WeakPolarHBondContact O-CG 3.1Å; A86-K90 PolarHBondContact O-N 3.2Å |
| 87 | N | 95 | Very high | 94.7 | Very high | 17 Ų | 17 | 32.9 Ų | 32.9 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 175.9 | -75.1 | -20.9 | 0 | 0 | 0 | 112.1 | I83 F84 K90 M91 T113 K115 M297 | I83-N87 WeakPolarHBondContact O-CB 3.22Å; I83-N87 PolarHBondContact O-N 3.02Å; I83-N87 PolarHBondContact O-ND2 2.57Å; F84-N87 PolarHBondContact O-N 2.87Å; N87-K90 PolarHBondContact O-N 3.37Å; N87-M91 WeakPolarHBondContact O-CB 3.46Å; N87-M91 PolarHBondContact O-N 2.88Å; N87-T113 HydrophobicContact CB-CG2 4Å; N87-T113 PolarHBondContact ND2-O 3.17Å; N87-K115 PolarHBondContact ND2-O 3.44Å; N87-M297 HydrophobicContact CB-SD 3.71Å |
| 88 | F | 93.9 | Very high | 94.7 | Very high | 27 Ų | 27 | 33 Ų | 33 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 177.5 | -169.4 | -98.3 | 0 | 0 | 0 | 112.3 | I56 A59 F84 S85 M91 M92 V109 | I56-F88 HydrophobicContact CG1-CD1 3.72Å; I56-F88 HydrophobicContact CG1-CE1 4.23Å; A59-F88 HydrophobicContact CB-CD2 4.01Å; A59-F88 HydrophobicContact CB-CE1 4.21Å; A59-F88 HydrophobicContact CB-CE2 3.42Å; A59-F88 VanDerWaalsContact CB-CE2 3.42Å; A59-F88 HydrophobicContact CB-CZ 3.53Å; F84-F88 HydrophobicContact CD1-CB 4.43Å; F84-F88 HydrophobicContact CE1-CB 4.17Å; F84-F88 HydrophobicContact CE1-CD2 4.19Å; F84-F88 HydrophobicContact CE1-CG 4.25Å; F84-F88 HydrophobicContact CZ-CD2 4.09Å; F84-F88 WeakPolarHBondContact O-CB 3.3Å; F84-F88 PolarHBondContact O-N 2.98Å; S85-F88 PolarHBondContact O-N 3.41Å; F88-M91 HydrophobicContact CD2-SD 4.41Å; F88-M91 WeakPolarHBondContact O-CB 3.44Å; F88-M91 PolarHBondContact O-N 2.94Å; F88-M92 HydrophobicContact CD1-CE 3.43Å; F88-M92 VanDerWaalsContact CD1-CE 3.43Å; F88-M92 HydrophobicContact CD1-CG 4.29Å; F88-M92 HydrophobicContact CD1-SD 3.94Å; F88-M92 HydrophobicContact CE1-CE 3.53Å; F88-M92 HydrophobicContact CE1-CG 3.99Å; F88-M92 HydrophobicContact CE1-SD 3.41Å; F88-M92 WeakPolarHBondContact CE1-SD 3.42Å; F88-M92 HydrophobicContact CZ-CG 4.41Å; F88-M92 HydrophobicContact CZ-SD 4.17Å; F88-M92 PolarHBondContact O-N 2.96Å; F88-V109 HydrophobicContact CD2-CG2 3.72Å; F88-V109 HydrophobicContact CE2-CG2 3.81Å |
| 89 | V | 92.4 | Very high | 94.7 | Very high | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -49.1 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | L35 L52 I56 S85 M91 M92 E93 | L35-V89 HydrophobicContact CD1-CG1 4.28Å; L35-V89 HydrophobicContact CD2-CG1 4.09Å; L52-V89 HydrophobicContact CD1-CG2 4.47Å; I56-V89 HydrophobicContact CD1-CG2 4.05Å; S85-V89 WeakPolarHBondContact O-CG2 3.26Å; S85-V89 PolarHBondContact O-N 3.42Å; V89-M91 PolarHBondContact O-N 3.28Å; V89-M92 HydrophobicContact CG2-CE 4.24Å; V89-M92 PolarHBondContact O-N 2.66Å; V89-M92 VanDerWaalsContact O-N 3.08Å; V89-E93 HydrophobicContact CG1-CG 4.49Å; V89-E93 WeakPolarHBondContact O-CG 3.44Å; V89-E93 PolarHBondContact O-N 2.94Å |
| 90 | K | 92.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54.8 | -41.6 | 175 | -69.2 | 174.2 | -177 | 178 | 0 | 112 | A86 N87 H94 M297 | A86-K90 WeakPolarHBondContact O-CG 3.1Å; A86-K90 PolarHBondContact O-N 3.2Å; N87-K90 PolarHBondContact O-N 3.37Å; K90-H94 VanDerWaalsContact O-CB 3.3Å; K90-H94 WeakPolarHBondContact O-CB 3.24Å; K90-H94 PolarHBondContact O-N 3.46Å; K90-M297 HydrophobicContact CB-CE 4.29Å |
| 91 | M | 93.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 178 | 174.8 | -172.9 | -45.6 | 0 | 0 | 112.6 | N87 F88 V89 N95 M107 G108 V109 T113 M297 | N87-M91 WeakPolarHBondContact O-CB 3.46Å; N87-M91 PolarHBondContact O-N 2.88Å; F88-M91 HydrophobicContact CD2-SD 4.41Å; F88-M91 WeakPolarHBondContact O-CB 3.44Å; F88-M91 PolarHBondContact O-N 2.94Å; V89-M91 PolarHBondContact O-N 3.28Å; M91-N95 WeakPolarHBondContact O-CB 3.45Å; M91-N95 PolarHBondContact O-N 2.8Å; M91-N95 PolarHBondContact O-ND2 2.94Å; M91-M107 HydrophobicContact CB-CB 4.12Å; M91-M107 HydrophobicContact CG-CB 3.69Å; M91-G108 VanDerWaalsContact CE-O 3.29Å; M91-G108 WeakPolarHBondContact CE-O 3.22Å; M91-G108 WeakPolarHBondContact SD-CA 3.44Å; M91-V109 HydrophobicContact CE-CG2 3.99Å; M91-V109 HydrophobicContact SD-CG2 3.88Å; M91-V109 PolarHBondContact SD-N 2.78Å; M91-V109 VanDerWaalsContact SD-N 3.36Å; M91-T113 HydrophobicContact CE-CG2 4.36Å; M91-M297 HydrophobicContact CE-SD 4.06Å |
| 92 | M | 91.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 48 Ų | 48 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 176.6 | -75.3 | -172.7 | -64.9 | 0 | 0 | 111.9 | L52 F88 V89 H94 N95 H96 | L52-M92 HydrophobicContact CD1-CE 3.11Å; L52-M92 HydrophobicContact CD1-SD 4.13Å; F88-M92 HydrophobicContact CD1-CE 3.43Å; F88-M92 VanDerWaalsContact CD1-CE 3.43Å; F88-M92 HydrophobicContact CD1-CG 4.29Å; F88-M92 HydrophobicContact CD1-SD 3.94Å; F88-M92 HydrophobicContact CE1-CE 3.53Å; F88-M92 HydrophobicContact CE1-CG 3.99Å; F88-M92 HydrophobicContact CE1-SD 3.41Å; F88-M92 WeakPolarHBondContact CE1-SD 3.42Å; F88-M92 HydrophobicContact CZ-CG 4.41Å; F88-M92 HydrophobicContact CZ-SD 4.17Å; F88-M92 PolarHBondContact O-N 2.96Å; V89-M92 HydrophobicContact CG2-CE 4.24Å; V89-M92 PolarHBondContact O-N 2.66Å; V89-M92 VanDerWaalsContact O-N 3.08Å; M92-H94 PolarHBondContact O-N 3.5Å; M92-N95 PolarHBondContact O-N 3.01Å; M92-H96 WeakPolarHBondContact O-CB 3.41Å; M92-H96 PolarHBondContact O-N 3.18Å |
| 93 | E | 93 | Very high | 94.9 | Very high | 104 Ų | 104 | 48.8 Ų | 48.8 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 175.7 | -69.9 | 172.6 | 175.7 | 0 | 0 | 111.1 | V89 N95 H96 A97 | V89-E93 HydrophobicContact CG1-CG 4.49Å; V89-E93 WeakPolarHBondContact O-CG 3.44Å; V89-E93 PolarHBondContact O-N 2.94Å; E93-N95 PolarHBondContact O-N 2.91Å; E93-H96 WeakPolarHBondContact O-CB 3.42Å; E93-H96 PolarHBondContact O-N 2.98Å; E93-A97 PolarHBondContact O-N 2.79Å; E93-A97 VanDerWaalsContact O-N 3.09Å |
| 94 | H | 95.2 | Very high | 95 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 11% | 0.111 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.2 | -177.9 | 83.3 | 0 | 0 | 0 | 112.6 | K90 M92 H96 A97 F98 Y105 M107 | K90-H94 VanDerWaalsContact O-CB 3.3Å; K90-H94 WeakPolarHBondContact O-CB 3.24Å; K90-H94 PolarHBondContact O-N 3.46Å; M92-H94 PolarHBondContact O-N 3.5Å; H94-H96 VanDerWaalsContact C-N 3.3Å; H94-H96 PolarHBondContact O-N 3.4Å; H94-A97 WeakPolarHBondContact O-CB 3.3Å; H94-A97 PolarHBondContact O-N 3.25Å; H94-F98 PolarHBondContact O-N 2.99Å; H94-Y105 PolarHBondContact CD2-O 3.13Å; H94-Y105 AromaticContact CE1-CE1 3.48Å; H94-Y105 VanDerWaalsContact CE1-CE1 3.48Å; H94-Y105 WeakPolarHBondContact CE1-CE1 3.44Å; H94-Y105 AromaticContact CE1-CE2 3.46Å; H94-Y105 VanDerWaalsContact CE1-CE2 3.46Å; H94-Y105 WeakPolarHBondContact CE1-CE2 3.37Å; H94-Y105 AromaticContact CE1-CZ 3.14Å; H94-Y105 PolarHBondContact CE1-OH 3.02Å; H94-Y105 VanDerWaalsContact CE1-OH 3.31Å; H94-Y105 AromaticContact NE2-CD2 3.51Å; H94-Y105 AromaticContact NE2-CE1 3.88Å; H94-Y105 AromaticContact NE2-CE2 3.32Å; H94-Y105 VanDerWaalsContact NE2-CE2 3.32Å; H94-Y105 WeakPolarHBondContact NE2-CE2 3.48Å; H94-Y105 AromaticContact NE2-CG 3.87Å; H94-Y105 AromaticContact NE2-CZ 3.51Å; H94-Y105 PolarHBondContact NE2-O 2.97Å; H94-M107 HydrophobicContact CB-CE 3.93Å; H94-M107 HydrophobicContact CB-CG 4.41Å; H94-M107 HydrophobicContact CB-SD 3.95Å |
| 95 | N | 96 | Very high | 95.1 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.4 | -27.2 | -179.6 | -74.3 | -18.5 | 0 | 0 | 0 | 112.6 | M91 M92 E93 F98 Q99 K106 M107 | M91-N95 WeakPolarHBondContact O-CB 3.45Å; M91-N95 PolarHBondContact O-N 2.8Å; M91-N95 PolarHBondContact O-ND2 2.94Å; M92-N95 PolarHBondContact O-N 3.01Å; E93-N95 PolarHBondContact O-N 2.91Å; N95-F98 WeakPolarHBondContact O-CB 3.45Å; N95-F98 PolarHBondContact O-N 3.16Å; N95-Q99 WeakPolarHBondContact O-CG 3.45Å; N95-Q99 PolarHBondContact O-N 3.15Å; N95-K106 VanDerWaalsContact OD1-CA 3.31Å; N95-K106 WeakPolarHBondContact OD1-CA 3.29Å; N95-K106 WeakPolarHBondContact OD1-CB 3.28Å; N95-M107 PolarHBondContact ND2-O 2.86Å; N95-M107 PolarHBondContact OD1-N 3.42Å; N95-M107 PolarHBondContact OD1-O 2.82Å |
| 96 | H | 95 | Very high | 95.2 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 168.5 | -176.5 | 67.1 | 0 | 0 | 0 | 110.7 | M92 E93 H94 F98 Q99 E100 | M92-H96 WeakPolarHBondContact O-CB 3.41Å; M92-H96 PolarHBondContact O-N 3.18Å; E93-H96 WeakPolarHBondContact O-CB 3.42Å; E93-H96 PolarHBondContact O-N 2.98Å; H94-H96 VanDerWaalsContact C-N 3.3Å; H94-H96 PolarHBondContact O-N 3.4Å; H96-F98 PolarHBondContact O-N 2.69Å; H96-Q99 WeakPolarHBondContact O-CB 3.29Å; H96-Q99 PolarHBondContact O-N 3.24Å; H96-E100 IonicContact CD2-OE2 3.63Å; H96-E100 IonicContact NE2-OE1 3.72Å; H96-E100 IonicContact NE2-OE2 3.82Å; H96-E100 PolarHBondContact O-N 2.86Å; H96-E100 VanDerWaalsContact O-N 3.09Å |
| 97 | A | 96.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 55 Ų | 55 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -34.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | E93 H94 E100 G101 K102 V103 | E93-A97 PolarHBondContact O-N 2.79Å; E93-A97 VanDerWaalsContact O-N 3.09Å; H94-A97 WeakPolarHBondContact O-CB 3.3Å; H94-A97 PolarHBondContact O-N 3.25Å; A97-E100 PolarHBondContact O-N 2.63Å; A97-G101 PolarHBondContact O-N 3.45Å; A97-K102 HydrophobicContact CB-CB 4.24Å; A97-K102 WeakPolarHBondContact O-CB 3.35Å; A97-K102 PolarHBondContact O-N 2.8Å; A97-V103 HydrophobicContact CB-CG1 4.45Å; A97-V103 HydrophobicContact CB-CG2 4.1Å |
| 98 | F | 96 | Very high | 95.6 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 27% | 0.268 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 173.7 | 177.2 | -87.1 | 0 | 0 | 0 | 111.8 | H94 N95 H96 E100 G101 V103 Y105 K106 | H94-F98 PolarHBondContact O-N 2.99Å; N95-F98 WeakPolarHBondContact O-CB 3.45Å; N95-F98 PolarHBondContact O-N 3.16Å; H96-F98 PolarHBondContact O-N 2.69Å; F98-E100 PolarHBondContact O-N 3.16Å; F98-G101 PolarHBondContact O-N 2.95Å; F98-V103 HydrophobicContact CB-CG2 3.74Å; F98-V103 WeakPolarHBondContact CD2-O 3.19Å; F98-Y105 VanDerWaalsContact CD2-C 3.47Å; F98-Y105 WeakPolarHBondContact CD2-O 3.25Å; F98-K106 HydrophobicContact CB-CG 4.46Å; F98-K106 HydrophobicContact CD1-CD 4.11Å; F98-K106 HydrophobicContact CD1-CG 3.65Å; F98-K106 HydrophobicContact CD2-CG 3.97Å; F98-K106 HydrophobicContact CE1-CD 4.03Å; F98-K106 HydrophobicContact CE1-CG 3.84Å; F98-K106 HydrophobicContact CE2-CG 4.09Å; F98-K106 HydrophobicContact CG-CG 3.73Å; F98-K106 HydrophobicContact CZ-CD 4.45Å; F98-K106 HydrophobicContact CZ-CG 4.03Å |
| 99 | Q | 95.1 | Very high | 95.7 | Very high | 152 Ų | 152 | 54.9 Ų | 54.9 | 71% | 0.71 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62 | -34.2 | 177.5 | -72.2 | 171.2 | -1.9 | 0 | 0 | 112 | N95 H96 G101 | N95-Q99 WeakPolarHBondContact O-CG 3.45Å; N95-Q99 PolarHBondContact O-N 3.15Å; H96-Q99 WeakPolarHBondContact O-CB 3.29Å; H96-Q99 PolarHBondContact O-N 3.24Å; Q99-G101 PolarHBondContact O-N 3.34Å |
| 100 | E | 96.9 | Very high | 95.9 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -1.7 | 174.3 | -62.7 | 178.9 | 111.4 | 0 | 0 | 113.6 | H96 A97 F98 K102 | H96-E100 IonicContact CD2-OE2 3.63Å; H96-E100 IonicContact NE2-OE1 3.72Å; H96-E100 IonicContact NE2-OE2 3.82Å; H96-E100 PolarHBondContact O-N 2.86Å; H96-E100 VanDerWaalsContact O-N 3.09Å; A97-E100 PolarHBondContact O-N 2.63Å; F98-E100 PolarHBondContact O-N 3.16Å; E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 HydrophobicContact CB-CD 4.15Å; E100-K102 HydrophobicContact CB-CG 4.08Å; E100-K102 PolarHBondContact O-N 3.23Å; E100-K102 IonicContact OE1-NZ 3.56Å; E100-K102 PolarHBondContact OE1-NZ 3Å; E100-K102 WeakPolarHBondContact OE2-CD 2.99Å; E100-K102 WeakPolarHBondContact OE2-CE 3.17Å; E100-K102 IonicContact OE2-NZ 3.62Å; E100-K102 PolarHBondContact OE2-NZ 2.99Å |
| 101 | G | 96 | Very high | 96 | Very high | 56 Ų | 56 | 53 Ų | 53 | 58% | 0.577 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 14.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A97 F98 Q99 | A97-G101 PolarHBondContact O-N 3.45Å; F98-G101 PolarHBondContact O-N 2.95Å; Q99-G101 PolarHBondContact O-N 3.34Å |
| 102 | K | 96.6 | Very high | 96.2 | Very high | 141 Ų | 141 | 53 Ų | 53 | 61% | 0.613 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -78.2 | -27.1 | -179.6 | -63.5 | 174.5 | -177.5 | 162.3 | 0 | 112.7 | A97 E100 | A97-K102 HydrophobicContact CB-CB 4.24Å; A97-K102 WeakPolarHBondContact O-CB 3.35Å; A97-K102 PolarHBondContact O-N 2.8Å; E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 HydrophobicContact CB-CD 4.15Å; E100-K102 HydrophobicContact CB-CG 4.08Å; E100-K102 PolarHBondContact O-N 3.23Å; E100-K102 IonicContact OE1-NZ 3.56Å; E100-K102 PolarHBondContact OE1-NZ 3Å; E100-K102 WeakPolarHBondContact OE2-CD 2.99Å; E100-K102 WeakPolarHBondContact OE2-CE 3.17Å; E100-K102 IonicContact OE2-NZ 3.62Å; E100-K102 PolarHBondContact OE2-NZ 2.99Å |
| 103 | V | 97.5 | Very high | 96.4 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -130.9 | 162.8 | 175.7 | -61 | 0 | 0 | 0 | 0 | 110.4 | A97 F98 | A97-V103 HydrophobicContact CB-CG1 4.45Å; A97-V103 HydrophobicContact CB-CG2 4.1Å; F98-V103 HydrophobicContact CB-CG2 3.74Å; F98-V103 WeakPolarHBondContact CD2-O 3.19Å |
| 104 | T | 97.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -112.4 | 5.4 | -170.1 | 47.7 | 0 | 0 | 0 | 0 | 116.7 | I302 S304 | T104-I302 CarbonylContact C-O 3.54Å; T104-I302 WeakPolarHBondContact CB-O 3.35Å; T104-I302 PolarHBondContact O-N 3.16Å; T104-I302 PolarHBondContact OG1-O 2.92Å; T104-S304 PolarHBondContact OG1-OG 3.35Å |
| 105 | Y | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 158.6 | 176.3 | 68.2 | -80.7 | 0 | 0 | 0 | 110.2 | H94 F98 M107 S294 Y298 S300 Y303 | H94-Y105 PolarHBondContact CD2-O 3.13Å; H94-Y105 AromaticContact CE1-CE1 3.48Å; H94-Y105 VanDerWaalsContact CE1-CE1 3.48Å; H94-Y105 WeakPolarHBondContact CE1-CE1 3.44Å; H94-Y105 AromaticContact CE1-CE2 3.46Å; H94-Y105 VanDerWaalsContact CE1-CE2 3.46Å; H94-Y105 WeakPolarHBondContact CE1-CE2 3.37Å; H94-Y105 AromaticContact CE1-CZ 3.14Å; H94-Y105 PolarHBondContact CE1-OH 3.02Å; H94-Y105 VanDerWaalsContact CE1-OH 3.31Å; H94-Y105 AromaticContact NE2-CD2 3.51Å; H94-Y105 AromaticContact NE2-CE1 3.88Å; H94-Y105 AromaticContact NE2-CE2 3.32Å; H94-Y105 VanDerWaalsContact NE2-CE2 3.32Å; H94-Y105 WeakPolarHBondContact NE2-CE2 3.48Å; H94-Y105 AromaticContact NE2-CG 3.87Å; H94-Y105 AromaticContact NE2-CZ 3.51Å; H94-Y105 PolarHBondContact NE2-O 2.97Å; F98-Y105 VanDerWaalsContact CD2-C 3.47Å; F98-Y105 WeakPolarHBondContact CD2-O 3.25Å; Y105-M107 HydrophobicContact CE2-CE 3.97Å; Y105-M107 HydrophobicContact CE2-CG 4.07Å; Y105-S294 VanDerWaalsContact OH-CB 3.23Å; Y105-S294 WeakPolarHBondContact OH-CB 3.4Å; Y105-Y298 AromaticContact CD2-CD2 3.97Å; Y105-Y298 HydrophobicContact CD2-CD2 3.97Å; Y105-Y298 HydrophobicContact CG-CD2 4.42Å; Y105-S300 CarbonylContact C-O 3.6Å; Y105-S300 WeakPolarHBondContact CA-O 3.37Å; Y105-S300 VanDerWaalsContact CB-O 3.29Å; Y105-S300 WeakPolarHBondContact CB-O 3.32Å; Y105-Y303 HydrophobicContact CD1-CD2 4.31Å; Y105-Y303 AromaticContact CD2-CD2 3.93Å; Y105-Y303 HydrophobicContact CD2-CD2 3.93Å; Y105-Y303 HydrophobicContact CD2-CE2 4.5Å; Y105-Y303 HydrophobicContact CE1-CD2 4.14Å; Y105-Y303 HydrophobicContact CE1-CE2 4.41Å; Y105-Y303 AromaticContact CE2-CD2 3.72Å; Y105-Y303 HydrophobicContact CE2-CD2 3.72Å; Y105-Y303 AromaticContact CE2-CE2 3.85Å; Y105-Y303 HydrophobicContact CE2-CE2 3.85Å; Y105-Y303 HydrophobicContact CG-CD2 4.22Å; Y105-Y303 AromaticContact CZ-CD2 3.84Å; Y105-Y303 AromaticContact CZ-CE2 3.8Å |
| 106 | K | 98.3 | Very high | 96.6 | Very high | 88 Ų | 88 | 45.3 Ų | 45.3 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.8 | 171.9 | -64.3 | -177.8 | -178.4 | -179.5 | 0 | 110 | N95 F98 K299 S300 | N95-K106 VanDerWaalsContact OD1-CA 3.31Å; N95-K106 WeakPolarHBondContact OD1-CA 3.29Å; N95-K106 WeakPolarHBondContact OD1-CB 3.28Å; F98-K106 HydrophobicContact CB-CG 4.46Å; F98-K106 HydrophobicContact CD1-CD 4.11Å; F98-K106 HydrophobicContact CD1-CG 3.65Å; F98-K106 HydrophobicContact CD2-CG 3.97Å; F98-K106 HydrophobicContact CE1-CD 4.03Å; F98-K106 HydrophobicContact CE1-CG 3.84Å; F98-K106 HydrophobicContact CE2-CG 4.09Å; F98-K106 HydrophobicContact CG-CG 3.73Å; F98-K106 HydrophobicContact CZ-CD 4.45Å; F98-K106 HydrophobicContact CZ-CG 4.03Å; K106-K299 PolarHBondContact O-N 3.2Å; K106-S300 PolarHBondContact N-O 3.11Å; K106-S300 PolarHBondContact O-N 2.72Å |
| 107 | M | 98.1 | Very high | 96.6 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 156.8 | 163.3 | -66.9 | -176.8 | -163.8 | 0 | 0 | 109.8 | M91 H94 N95 Y105 M297 | M91-M107 HydrophobicContact CB-CB 4.12Å; M91-M107 HydrophobicContact CG-CB 3.69Å; H94-M107 HydrophobicContact CB-CE 3.93Å; H94-M107 HydrophobicContact CB-CG 4.41Å; H94-M107 HydrophobicContact CB-SD 3.95Å; N95-M107 PolarHBondContact ND2-O 2.86Å; N95-M107 PolarHBondContact OD1-N 3.42Å; N95-M107 PolarHBondContact OD1-O 2.82Å; Y105-M107 HydrophobicContact CE2-CE 3.97Å; Y105-M107 HydrophobicContact CE2-CG 4.07Å; M107-M297 CarbonylContact C-O 3.6Å; M107-M297 WeakPolarHBondContact CA-O 3.3Å; M107-M297 HydrophobicContact CB-CB 4.14Å; M107-M297 HydrophobicContact CG-CB 4.19Å; M107-M297 HydrophobicContact SD-CB 4.17Å; M107-M297 HydrophobicContact SD-CE 3.81Å |
| 108 | G | 96.7 | Very high | 96.4 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | trans | -152.9 | 153.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M91 N110 M297 | M91-G108 VanDerWaalsContact CE-O 3.29Å; M91-G108 WeakPolarHBondContact CE-O 3.22Å; M91-G108 WeakPolarHBondContact SD-CA 3.44Å; G108-N110 PolarHBondContact O-N 3.13Å; G108-M297 PolarHBondContact N-O 3.45Å | ||
| 109 | V | 96.4 | Very high | 96.4 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 19% | 0.194 | 25% | 0.248 | C | C | . | . | trans | -63 | 129.2 | 173.8 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | F63 F67 F84 F88 M91 | F63-V109 HydrophobicContact CB-CG1 4.07Å; F63-V109 HydrophobicContact CD2-CG1 3.61Å; F63-V109 HydrophobicContact CG-CG1 4.24Å; F67-V109 HydrophobicContact CE2-CG1 4.31Å; F84-V109 HydrophobicContact CE2-CG1 3.99Å; F84-V109 HydrophobicContact CE2-CG2 4.42Å; F84-V109 HydrophobicContact CZ-CG1 4.44Å; F84-V109 HydrophobicContact CZ-CG2 4.28Å; F88-V109 HydrophobicContact CD2-CG2 3.72Å; F88-V109 HydrophobicContact CE2-CG2 3.81Å; M91-V109 HydrophobicContact CE-CG2 3.99Å; M91-V109 HydrophobicContact SD-CG2 3.88Å; M91-V109 PolarHBondContact SD-N 2.78Å; M91-V109 VanDerWaalsContact SD-N 3.36Å | ||
| 110 | N | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -149.2 | -177.2 | 179.8 | 67.3 | 28.9 | 0 | 0 | 0 | 110.2 | F63 F67 G108 F112 T113 S296 | F63-N110 WeakPolarHBondContact CE2-O 3.33Å; F67-N110 VanDerWaalsContact CZ-CA 3.47Å; G108-N110 PolarHBondContact O-N 3.13Å; N110-F112 PolarHBondContact O-N 3.13Å; N110-F112 WeakPolarHBondContact OD1-CA 3.42Å; N110-F112 WeakPolarHBondContact OD1-CB 3.18Å; N110-F112 PolarHBondContact OD1-N 2.89Å; N110-T113 PolarHBondContact N-OG1 3.3Å; N110-T113 PolarHBondContact O-N 3.41Å; N110-T113 VanDerWaalsContact O-N 3.11Å; N110-T113 PolarHBondContact O-OG1 2.92Å; N110-S296 PolarHBondContact ND2-O 3.39Å | ||
| 111 | E | 95.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -1.6 | -177.5 | 65.4 | -178 | -139.2 | 0 | 0 | 116.1 | F67 R69 | F67-E111 HydrophobicContact CD1-CB 3.67Å; F67-E111 HydrophobicContact CE1-CB 3.88Å; F67-E111 HydrophobicContact CG-CB 4.36Å; R69-E111 VanDerWaalsContact NH2-C 3.33Å; R69-E111 PolarHBondContact NH2-O 2.59Å |
| 112 | F | 97.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -6.6 | 178.5 | -53.2 | -53.5 | 0 | 0 | 0 | 113.1 | N110 D114 K115 L120 L123 W339 W343 | N110-F112 PolarHBondContact O-N 3.13Å; N110-F112 WeakPolarHBondContact OD1-CA 3.42Å; N110-F112 WeakPolarHBondContact OD1-CB 3.18Å; N110-F112 PolarHBondContact OD1-N 2.89Å; F112-D114 PolarHBondContact O-N 3.32Å; F112-D114 VanDerWaalsContact O-N 3.12Å; F112-K115 HydrophobicContact CD1-CD 4.05Å; F112-K115 WeakPolarHBondContact O-CB 3.26Å; F112-K115 PolarHBondContact O-N 3.24Å; F112-L120 HydrophobicContact CB-CD1 4.32Å; F112-L120 HydrophobicContact CB-CD2 3.89Å; F112-L120 HydrophobicContact CD1-CD2 3.53Å; F112-L120 HydrophobicContact CE1-CD2 4.31Å; F112-L120 HydrophobicContact CG-CD2 3.84Å; F112-L123 HydrophobicContact CD1-CD1 4.31Å; F112-L123 HydrophobicContact CE1-CD1 3.75Å; F112-L123 HydrophobicContact CZ-CD1 4.43Å; F112-W339 HydrophobicContact CD2-CE3 4.22Å; F112-W339 HydrophobicContact CE2-CB 3.88Å; F112-W339 AromaticContact CE2-CD2 3.88Å; F112-W339 HydrophobicContact CE2-CD2 3.88Å; F112-W339 AromaticContact CE2-CE3 3.57Å; F112-W339 HydrophobicContact CE2-CE3 3.57Å; F112-W339 HydrophobicContact CE2-CG 4.05Å; F112-W339 HydrophobicContact CE2-CZ3 4.4Å; F112-W339 HydrophobicContact CZ-CB 3.82Å; F112-W339 HydrophobicContact CZ-CD2 4.01Å; F112-W339 HydrophobicContact CZ-CE3 4.17Å; F112-W339 AromaticContact CZ-CG 3.88Å; F112-W339 HydrophobicContact CZ-CG 3.88Å; F112-W343 AromaticContact CD2-CD1 3.78Å; F112-W343 HydrophobicContact CE2-CB 4.34Å; F112-W343 AromaticContact CE2-CD1 3.68Å; F112-W343 HydrophobicContact CE2-CG 4.18Å |
| 113 | T | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.2 | -173.4 | -49.2 | 0 | 0 | 0 | 0 | 113.1 | F84 N87 M91 N110 | F84-T113 WeakPolarHBondContact CA-O 3.44Å; F84-T113 HydrophobicContact CD2-CG2 3.45Å; F84-T113 VanDerWaalsContact CD2-CG2 3.45Å; F84-T113 HydrophobicContact CE2-CG2 3.58Å; F84-T113 HydrophobicContact CG-CG2 4.22Å; F84-T113 HydrophobicContact CZ-CG2 4.43Å; N87-T113 HydrophobicContact CB-CG2 4Å; N87-T113 PolarHBondContact ND2-O 3.17Å; M91-T113 HydrophobicContact CE-CG2 4.36Å; N110-T113 PolarHBondContact N-OG1 3.3Å; N110-T113 PolarHBondContact O-N 3.41Å; N110-T113 VanDerWaalsContact O-N 3.11Å; N110-T113 PolarHBondContact O-OG1 2.92Å |
| 114 | D | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 14.1 | 175.8 | 74.4 | -27.7 | 0 | 0 | 0 | 114.6 | W60 F63 R69 Y71 R80 I83 F112 | W60-D114 HydrophobicContact CZ3-CB 4.21Å; F63-D114 HydrophobicContact CE1-CB 3.7Å; F63-D114 HydrophobicContact CZ-CB 3.72Å; R69-D114 IonicContact CZ-OD1 3.99Å; R69-D114 IonicContact CZ-OD2 3.61Å; R69-D114 IonicContact NE-OD1 3.53Å; R69-D114 IonicContact NE-OD2 3.02Å; R69-D114 IonicContact NH1-OD1 2.76Å; R69-D114 IonicContact NH1-OD2 3.96Å; R69-D114 IonicContact NH2-OD1 2.67Å; Y71-D114 WeakPolarHBondContact CE1-OD2 3.35Å; Y71-D114 PolarHBondContact OH-OD2 3.19Å; R80-D114 HydrophobicContact CB-CB 4.43Å; R80-D114 VanDerWaalsContact CD-O 3.23Å; R80-D114 WeakPolarHBondContact CD-O 3.32Å; R80-D114 PolarHBondContact NH1-O 3.16Å; I83-D114 VanDerWaalsContact CG2-C 3.5Å; F112-D114 PolarHBondContact O-N 3.32Å; F112-D114 VanDerWaalsContact O-N 3.12Å |
| 115 | K | 96.6 | Very high | 96.2 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | trans | -112.4 | 146.8 | -177.9 | -58.4 | -171.8 | -173.1 | -65 | 0 | 112.2 | I83 N87 F112 E119 L120 | I83-K115 WeakPolarHBondContact CG2-O 3.38Å; N87-K115 PolarHBondContact ND2-O 3.44Å; F112-K115 HydrophobicContact CD1-CD 4.05Å; F112-K115 WeakPolarHBondContact O-CB 3.26Å; F112-K115 PolarHBondContact O-N 3.24Å; K115-E119 HydrophobicContact CB-CB 4.35Å; K115-L120 HydrophobicContact CB-CD2 4.06Å; K115-L120 HydrophobicContact CB-CG 4.05Å; K115-L120 HydrophobicContact CD-CD2 3.77Å | ||
| 116 | T | 94.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | trans | -81.6 | 160.1 | 170.8 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | I83 Y118 E119 L120 | I83-T116 HydrophobicContact CD1-CG2 3.66Å; I83-T116 HydrophobicContact CG1-CG2 3.98Å; I83-T116 HydrophobicContact CG2-CG2 4.45Å; T116-Y118 PolarHBondContact O-N 3.41Å; T116-E119 PolarHBondContact N-OE2 2.75Å; T116-E119 PolarHBondContact O-N 2.7Å; T116-E119 VanDerWaalsContact O-N 3.08Å; T116-E119 WeakPolarHBondContact OG1-CG 3.36Å; T116-E119 PolarHBondContact OG1-N 3Å; T116-E119 PolarHBondContact OG1-OE2 2.74Å; T116-L120 WeakPolarHBondContact O-CG 3.5Å; T116-L120 PolarHBondContact O-N 2.75Å | ||
| 117 | D | 93.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 34% | 0.342 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.4 | -39.4 | 172.6 | 179 | 62.9 | 0 | 0 | 0 | 111.8 | E119 L120 K121 R124 | D117-E119 VanDerWaalsContact C-N 3.25Å; D117-E119 PolarHBondContact O-N 3.11Å; D117-L120 CarbonylContact O-C 3.52Å; D117-L120 PolarHBondContact O-N 3.35Å; D117-L120 VanDerWaalsContact O-N 3.08Å; D117-K121 WeakPolarHBondContact O-CB 3.08Å; D117-K121 PolarHBondContact O-N 3.46Å; D117-R124 PolarHBondContact O-NH2 3.35Å; D117-R124 IonicContact OD1-CZ 2.81Å; D117-R124 IonicContact OD1-NH2 3.86Å; D117-R124 PolarHBondContact OD1-NH2 3.09Å; D117-R124 IonicContact OD2-NH2 3.76Å |
| 118 | Y | 93.7 | Very high | 95 | Very high | 165 Ų | 165 | 44.7 Ų | 44.7 | 65% | 0.647 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -56.1 | -38.4 | 175.3 | 178.5 | -99.5 | 0 | 0 | 0 | 113.1 | T116 | T116-Y118 PolarHBondContact O-N 3.41Å |
| 119 | E | 94.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.2 | -41.4 | 175.8 | -71 | 166 | 118.5 | 0 | 0 | 111.6 | R79 R80 K115 T116 D117 K121 K122 | R79-E119 IonicContact NH1-OE1 3.18Å; R79-E119 IonicContact NH2-OE2 2.72Å; R80-E119 IonicContact CZ-OE1 2.86Å; R80-E119 VanDerWaalsContact NH1-CD 3.27Å; R80-E119 IonicContact NH1-OE1 3.93Å; R80-E119 PolarHBondContact NH1-OE1 2.62Å; R80-E119 IonicContact NH1-OE2 3.16Å; R80-E119 PolarHBondContact NH1-OE2 3.45Å; R80-E119 IonicContact NH2-OE1 2.7Å; R80-E119 PolarHBondContact NH2-OE1 3.34Å; K115-E119 HydrophobicContact CB-CB 4.35Å; T116-E119 PolarHBondContact N-OE2 2.75Å; T116-E119 PolarHBondContact O-N 2.7Å; T116-E119 VanDerWaalsContact O-N 3.08Å; T116-E119 WeakPolarHBondContact OG1-CG 3.36Å; T116-E119 PolarHBondContact OG1-N 3Å; T116-E119 PolarHBondContact OG1-OE2 2.74Å; D117-E119 VanDerWaalsContact C-N 3.25Å; D117-E119 PolarHBondContact O-N 3.11Å; E119-K121 VanDerWaalsContact C-N 3.33Å; E119-K121 PolarHBondContact O-N 3.29Å; E119-K122 PolarHBondContact O-N 2.94Å |
| 120 | L | 96.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.2 | -26.1 | 179.8 | -66 | 176.7 | 0 | 0 | 0 | 113.4 | F112 K115 T116 D117 K122 L123 R124 | F112-L120 HydrophobicContact CB-CD1 4.32Å; F112-L120 HydrophobicContact CB-CD2 3.89Å; F112-L120 HydrophobicContact CD1-CD2 3.53Å; F112-L120 HydrophobicContact CE1-CD2 4.31Å; F112-L120 HydrophobicContact CG-CD2 3.84Å; K115-L120 HydrophobicContact CB-CD2 4.06Å; K115-L120 HydrophobicContact CB-CG 4.05Å; K115-L120 HydrophobicContact CD-CD2 3.77Å; T116-L120 WeakPolarHBondContact O-CG 3.5Å; T116-L120 PolarHBondContact O-N 2.75Å; D117-L120 CarbonylContact O-C 3.52Å; D117-L120 PolarHBondContact O-N 3.35Å; D117-L120 VanDerWaalsContact O-N 3.08Å; L120-K122 PolarHBondContact O-N 2.96Å; L120-K122 VanDerWaalsContact O-N 3.15Å; L120-L123 HydrophobicContact CD2-CD1 3.93Å; L120-L123 WeakPolarHBondContact O-CB 3.16Å; L120-L123 PolarHBondContact O-N 3.3Å; L120-R124 PolarHBondContact O-NE 2.94Å |
| 121 | K | 95.9 | Very high | 89.1 | Confident | 136 Ų | 136 | 54.3 Ų | 54.3 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -56.3 | -29.8 | 175.8 | -170.6 | 170.8 | -177.5 | 169.2 | 0 | 112.8 | D117 E119 L123 R124 | D117-K121 WeakPolarHBondContact O-CB 3.08Å; D117-K121 PolarHBondContact O-N 3.46Å; E119-K121 VanDerWaalsContact C-N 3.33Å; E119-K121 PolarHBondContact O-N 3.29Å; K121-L123 PolarHBondContact O-N 2.91Å; K121-R124 PolarHBondContact O-N 3.06Å |
| 122 | K | 94.7 | Very high | 86.9 | Confident | 130 Ų | 130 | 53.2 Ų | 53.2 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -69.7 | -21.3 | 177.5 | -62 | -179.8 | 179.7 | -178.1 | 0 | 113.4 | E119 L120 G170 | E119-K122 PolarHBondContact O-N 2.94Å; L120-K122 PolarHBondContact O-N 2.96Å; L120-K122 VanDerWaalsContact O-N 3.15Å; K122-G170 WeakPolarHBondContact O-CA 3.41Å; K122-G170 PolarHBondContact O-N 3.2Å |
| 123 | L | 96.5 | Very high | 84.7 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -84.8 | -16.2 | 179.3 | -48.2 | -173.4 | 0 | 0 | 0 | 112.2 | F112 L120 K121 G125 Q166 G167 | F112-L123 HydrophobicContact CD1-CD1 4.31Å; F112-L123 HydrophobicContact CE1-CD1 3.75Å; F112-L123 HydrophobicContact CZ-CD1 4.43Å; L120-L123 HydrophobicContact CD2-CD1 3.93Å; L120-L123 WeakPolarHBondContact O-CB 3.16Å; L120-L123 PolarHBondContact O-N 3.3Å; K121-L123 PolarHBondContact O-N 2.91Å; L123-G125 PolarHBondContact O-N 3.34Å; L123-Q166 PolarHBondContact O-NE2 3.4Å; L123-G167 WeakPolarHBondContact CD2-O 3.31Å |
| 124 | R | 97.3 | Very high | 82.7 | Confident | 20 Ų | 20 | 70.9 Ų | 70.9 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | trans | -96.9 | 83.1 | -178.4 | -65.3 | 176 | -75.1 | 148.9 | -18.4 | 108.4 | D117 L120 K121 A290 D316 H317 W339 | D117-R124 PolarHBondContact O-NH2 3.35Å; D117-R124 IonicContact OD1-CZ 2.81Å; D117-R124 IonicContact OD1-NH2 3.86Å; D117-R124 PolarHBondContact OD1-NH2 3.09Å; D117-R124 IonicContact OD2-NH2 3.76Å; L120-R124 PolarHBondContact O-NE 2.94Å; K121-R124 PolarHBondContact O-N 3.06Å; R124-A290 WeakPolarHBondContact CD-O 3.21Å; R124-A290 HydrophobicContact CG-CB 4.27Å; R124-D316 CarbonylContact C-O 3.56Å; R124-D316 VanDerWaalsContact CA-O 3.25Å; R124-D316 WeakPolarHBondContact CA-O 3.18Å; R124-D316 HydrophobicContact CB-CB 4.04Å; R124-D316 VanDerWaalsContact CB-O 3.29Å; R124-D316 WeakPolarHBondContact CB-O 3.37Å; R124-D316 WeakPolarHBondContact CD-OD2 3.49Å; R124-D316 IonicContact CZ-OD2 3.61Å; R124-D316 IonicContact NE-OD2 3.94Å; R124-D316 IonicContact NH1-OD2 2.67Å; R124-D316 PolarHBondContact NH1-OD2 3.46Å; R124-D316 VanDerWaalsContact O-O 3.13Å; R124-H317 HydrophobicContact CB-CB 4.38Å; R124-H317 HydrophobicContact CG-CB 4.15Å; R124-W339 HydrophobicContact CG-CZ2 4.26Å | ||
| 125 | G | 96.5 | Very high | 81.1 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | trans | -97 | 8.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L123 K127 G170 C172 G214 G215 D316 | L123-G125 PolarHBondContact O-N 3.34Å; G125-K127 PolarHBondContact O-N 3.37Å; G125-G170 WeakPolarHBondContact CA-O 3.47Å; G125-C172 PolarHBondContact N-SG 3.42Å; G125-G214 CarbonylContact O-C 3.56Å; G125-G214 WeakPolarHBondContact O-CA 3.47Å; G125-G215 PolarHBondContact O-N 3.36Å; G125-D316 PolarHBondContact N-O 3.01Å | ||
| 126 | Y | 96.7 | Very high | 80.3 | Confident | 23 Ų | 23 | 79 Ų | 79 | 9% | 0.09 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 122.4 | 170.6 | 173.6 | -92.4 | 0 | 0 | 0 | 108.5 | V128 L216 M217 A287 L315 D316 A364 | Y126-V128 HydrophobicContact CE1-CG2 3.74Å; Y126-L216 HydrophobicContact CD2-CD2 3.89Å; Y126-L216 HydrophobicContact CE2-CD2 3.4Å; Y126-M217 HydrophobicContact CD2-CE 4.22Å; Y126-M217 HydrophobicContact CD2-SD 3.89Å; Y126-M217 HydrophobicContact CE2-CE 4.19Å; Y126-M217 HydrophobicContact CE2-SD 4.23Å; Y126-A287 HydrophobicContact CD1-CB 3.71Å; Y126-A287 HydrophobicContact CD2-CB 3.51Å; Y126-A287 HydrophobicContact CE1-CB 3.66Å; Y126-A287 HydrophobicContact CE2-CB 3.45Å; Y126-A287 VanDerWaalsContact CE2-CB 3.45Å; Y126-A287 HydrophobicContact CG-CB 3.62Å; Y126-L315 HydrophobicContact CD1-CB 3.99Å; Y126-L315 HydrophobicContact CE1-CB 3.8Å; Y126-L315 HydrophobicContact CE1-CD1 4.42Å; Y126-D316 VanDerWaalsContact CB-C 3.48Å; Y126-D316 WeakPolarHBondContact CB-O 3.25Å; Y126-D316 PolarHBondContact N-O 3.18Å; Y126-A364 WeakPolarHBondContact OH-CB 3.47Å |
| 127 | K | 91.7 | Very high | 79.9 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 47% | 0.465 | 40% | 0.399 | S | S | . | . | trans | -139.7 | 116.3 | -177.7 | -70.5 | -171.3 | -178.5 | 172.9 | 0 | 111.4 | G125 T129 S213 G215 L216 | G125-K127 PolarHBondContact O-N 3.37Å; K127-T129 PolarHBondContact O-N 3.46Å; K127-S213 VanDerWaalsContact CD-O 3.29Å; K127-S213 WeakPolarHBondContact CD-O 3.01Å; K127-S213 WeakPolarHBondContact CE-O 3.44Å; K127-S213 PolarHBondContact NZ-O 2.79Å; K127-G215 PolarHBondContact N-O 3.25Å; K127-G215 VanDerWaalsContact N-O 3.15Å; K127-L216 VanDerWaalsContact O-CD2 3.25Å; K127-L216 WeakPolarHBondContact O-CD2 3.25Å; K127-L216 VanDerWaalsContact O-CG 3.3Å; K127-L216 WeakPolarHBondContact O-CG 3.43Å | ||
| 128 | V | 80.8 | Confident | 79.9 | Confident | 80 Ų | 80 | 78.9 Ų | 78.9 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | trans | -74.1 | 111.2 | 168.2 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | Y126 L216 | Y126-V128 HydrophobicContact CE1-CG2 3.74Å; V128-L216 HydrophobicContact CG2-CD2 4.47Å | ||
| 129 | T | 66 | Low | 80 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 32% | 0.319 | 40% | 0.399 | S | S | . | . | trans | -85.1 | 137.4 | 169.2 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | K127 G131 A132 | K127-T129 PolarHBondContact O-N 3.46Å; T129-G131 PolarHBondContact O-N 2.8Å; T129-A132 WeakPolarHBondContact O-CB 3.49Å; T129-A132 PolarHBondContact O-N 2.98Å | ||
| 130 | S | 50.8 | Low | 79.9 | Confident | 123 Ų | 123 | 74.6 Ų | 74.6 | 86% | 0.86 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -1.7 | -173.5 | -42.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 131 | G | 48.4 | Very low | 79.7 | Confident | 72 Ų | 72 | 81.5 Ų | 81.5 | 74% | 0.742 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -9.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T129 I133 | T129-G131 PolarHBondContact O-N 2.8Å; G131-I133 VanDerWaalsContact C-N 3.31Å; G131-I133 PolarHBondContact O-N 2.74Å |
| 132 | A | 49.7 | Very low | 79.3 | Confident | 14 Ų | 14 | 78.3 Ų | 78.3 | 12% | 0.116 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T129 R134 H135 L216 | T129-A132 WeakPolarHBondContact O-CB 3.49Å; T129-A132 PolarHBondContact O-N 2.98Å; A132-R134 PolarHBondContact O-N 2.68Å; A132-H135 PolarHBondContact O-CD2 3.24Å; A132-H135 PolarHBondContact O-N 2.84Å; A132-H135 PolarHBondContact O-NE2 3.4Å; A132-L216 HydrophobicContact CB-CD1 3.55Å |
| 133 | I | 49.6 | Very low | 78.7 | Confident | 142 Ų | 142 | 74.8 Ų | 74.8 | 73% | 0.728 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.7 | -169.2 | -58 | 177.4 | 0 | 0 | 0 | 113.6 | G131 H135 | G131-I133 VanDerWaalsContact C-N 3.31Å; G131-I133 PolarHBondContact O-N 2.74Å; I133-H135 VanDerWaalsContact C-N 3.33Å; I133-H135 PolarHBondContact O-N 3.32Å |
| 134 | R | 55.3 | Low | 78 | Confident | 237 Ų | 237 | 81.1 Ų | 81.1 | 89% | 0.894 | 44% | 0.435 | S | S | * | . | trans | -96.5 | 47.2 | 173.9 | -72.2 | -171.8 | 149 | 164.6 | -3.6 | 113.6 | A132 K136 | A132-R134 PolarHBondContact O-N 2.68Å; R134-K136 PolarHBondContact O-N 2.89Å | ||
| 135 | H | 63.2 | Low | 77.4 | Confident | 42 Ų | 42 | 88.2 Ų | 88.2 | 19% | 0.194 | 47% | 0.469 | C | S | . | . | trans | -63.5 | 122.7 | 171.3 | -85 | -42.1 | 0 | 0 | 0 | 111 | A132 I133 G137 S219 E222 Y263 | A132-H135 PolarHBondContact O-CD2 3.24Å; A132-H135 PolarHBondContact O-N 2.84Å; A132-H135 PolarHBondContact O-NE2 3.4Å; I133-H135 VanDerWaalsContact C-N 3.33Å; I133-H135 PolarHBondContact O-N 3.32Å; H135-G137 PolarHBondContact O-N 2.98Å; H135-G137 VanDerWaalsContact O-N 3.11Å; H135-S219 PolarHBondContact CE1-OG 3.49Å; H135-E222 IonicContact ND1-OE1 3.67Å; H135-E222 PolarHBondContact ND1-OE1 3Å; H135-E222 IonicContact ND1-OE2 3.5Å; H135-Y263 WeakPolarHBondContact CA-OH 3.42Å; H135-Y263 HydrophobicContact CB-CE2 4.26Å; H135-Y263 WeakPolarHBondContact CB-OH 3.4Å; H135-Y263 PolarHBondContact ND1-OH 2.95Å | ||
| 136 | K | 80.9 | Confident | 76.7 | Confident | 173 Ų | 173 | 90.5 Ų | 90.5 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | trans | -77.2 | 16.5 | -175.9 | -63.4 | 179.8 | -178.5 | 172.8 | 0 | 114.3 | R134 E222 Y263 | R134-K136 PolarHBondContact O-N 2.89Å; K136-E222 PolarHBondContact N-OE1 2.53Å; K136-Y263 PolarHBondContact N-OH 3.44Å | ||
| 137 | G | 85.8 | Confident | 76.5 | Confident | 18 Ų | 18 | 99.2 Ų | 99.2 | 19% | 0.186 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -64 | 150 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H135 Y263 | H135-G137 PolarHBondContact O-N 2.98Å; H135-G137 VanDerWaalsContact O-N 3.11Å; G137-Y263 WeakPolarHBondContact CA-O 3.46Å; G137-Y263 VanDerWaalsContact N-CZ 3.28Å; G137-Y263 PolarHBondContact N-OH 3.4Å |
| 138 | S | 94.4 | Very high | 76.6 | Confident | 58 Ų | 58 | 96.1 Ų | 96.1 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 162.4 | 166.4 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | Y263 V264 N265 | S138-Y263 PolarHBondContact N-O 3.04Å; S138-Y263 PolarHBondContact OG-O 3.31Å; S138-V264 CarbonylContact O-C 3.53Å; S138-V264 WeakPolarHBondContact O-CA 3.33Å; S138-V264 WeakPolarHBondContact OG-CG2 3.41Å; S138-N265 PolarHBondContact O-N 2.67Å |
| 139 | T | 93.9 | Very high | 77.4 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.7 | 176 | -53.7 | 0 | 0 | 0 | 0 | 109.9 | I141 | T139-I141 PolarHBondContact O-N 3.37Å |
| 140 | F | 94.1 | Very high | 78.8 | Confident | 21 Ų | 21 | 98 Ų | 98 | 9% | 0.092 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 121.1 | 173.9 | -175.1 | -99.2 | 0 | 0 | 0 | 109.7 | R142 V264 N265 I266 A273 D276 A277 K281 Y367 | F140-R142 HydrophobicContact CD1-CB 4.38Å; F140-R142 HydrophobicContact CE1-CB 3.9Å; F140-R142 HydrophobicContact CE1-CG 4.36Å; F140-V264 HydrophobicContact CB-CG1 3.71Å; F140-V264 HydrophobicContact CD2-CG1 4.34Å; F140-V264 VanDerWaalsContact N-CG1 3.33Å; F140-N265 WeakPolarHBondContact CB-O 3.16Å; F140-N265 PolarHBondContact N-O 2.7Å; F140-I266 HydrophobicContact CB-CG1 4.17Å; F140-I266 HydrophobicContact CG-CG1 4.5Å; F140-A273 HydrophobicContact CD1-CB 4.01Å; F140-A273 HydrophobicContact CE1-CB 4.23Å; F140-D276 HydrophobicContact CE1-CB 4.04Å; F140-D276 HydrophobicContact CZ-CB 3.99Å; F140-A277 HydrophobicContact CD2-CB 4.28Å; F140-A277 HydrophobicContact CE1-CB 4.48Å; F140-A277 HydrophobicContact CE2-CB 3.94Å; F140-A277 HydrophobicContact CZ-CB 4.04Å; F140-K281 HydrophobicContact CE2-CG 4.33Å; F140-Y367 AromaticContact CD2-CE1 3.97Å; F140-Y367 HydrophobicContact CD2-CE1 3.97Å; F140-Y367 HydrophobicContact CE2-CE1 4.49Å |
| 141 | I | 90.9 | Very high | 81.1 | Confident | 153 Ų | 153 | 96.9 Ų | 96.9 | 79% | 0.785 | 51% | 0.506 | S | S | * | . | trans | -103.5 | 108.3 | 172.9 | -56.9 | 178.8 | 0 | 0 | 0 | 107.4 | T139 | T139-I141 PolarHBondContact O-N 3.37Š| ||
| 142 | R | 87.5 | Confident | 83.5 | Confident | 68 Ų | 68 | 94.2 Ų | 94.2 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | trans | -68.6 | 140 | 175.4 | -170.7 | 177.8 | 62.2 | 82.3 | 0.7 | 110.1 | F140 D276 | F140-R142 HydrophobicContact CD1-CB 4.38Å; F140-R142 HydrophobicContact CE1-CB 3.9Å; F140-R142 HydrophobicContact CE1-CG 4.36Å; R142-D276 HydrophobicContact CG-CB 4.08Å; R142-D276 WeakPolarHBondContact CG-OD2 3.38Å | ||
| 143 | S | 83.3 | Confident | 85.8 | Confident | 57 Ų | 57 | 94.2 Ų | 94.2 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | trans | -86.1 | 129.6 | 167.4 | 163 | 0 | 0 | 0 | 0 | 109.8 | H145 T146 | S143-H145 PolarHBondContact O-N 2.85Å; S143-H145 PolarHBondContact OG-N 3.11Å; S143-T146 VanDerWaalsContact CB-OG1 3.22Å; S143-T146 WeakPolarHBondContact CB-OG1 3.11Å; S143-T146 PolarHBondContact OG-OG1 3.32Å | ||
| 144 | E | 81.9 | Confident | 88.1 | Confident | 145 Ų | 145 | 88.7 Ų | 88.7 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.6 | -179.6 | -67.7 | -164.4 | 154.5 | 0 | 0 | 113.5 | ||
| 145 | H | 83.2 | Confident | 90.2 | Very high | 169 Ų | 169 | 81.9 Ų | 81.9 | 78% | 0.782 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.8 | -173.4 | -55.3 | -55.4 | 0 | 0 | 0 | 114 | S143 K147 | S143-H145 PolarHBondContact O-N 2.85Å; S143-H145 PolarHBondContact OG-N 3.11Å; H145-K147 PolarHBondContact O-N 3.38Å |
| 146 | T | 82.6 | Confident | 91.8 | Very high | 50 Ų | 50 | 88.7 Ų | 88.7 | 31% | 0.307 | 44% | 0.442 | S | S | . | . | trans | -69.1 | 117.2 | -179.8 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | S143 L148 T280 | S143-T146 VanDerWaalsContact CB-OG1 3.22Å; S143-T146 WeakPolarHBondContact CB-OG1 3.11Å; S143-T146 PolarHBondContact OG-OG1 3.32Å; T146-L148 HydrophobicContact CG2-CD2 3.64Å; T146-L148 PolarHBondContact O-N 2.86Å; T146-T280 HydrophobicContact CG2-CG2 4.32Å | ||
| 147 | K | 91.6 | Very high | 92.6 | Very high | 206 Ų | 206 | 86 Ų | 86 | 90% | 0.896 | 43% | 0.432 | S | S | * | . | trans | -77 | 112 | 165.5 | -70.4 | -175.6 | -178.9 | 179.2 | 0 | 108.5 | H145 | H145-K147 PolarHBondContact O-N 3.38Š| ||
| 148 | L | 94.7 | Very high | 93.2 | Very high | 42 Ų | 42 | 86.7 Ų | 86.7 | 22% | 0.22 | 44% | 0.438 | C | S | . | . | trans | -86.6 | 144.1 | 177.3 | -57.9 | 178.5 | 0 | 0 | 0 | 110.3 | T146 M275 D276 A279 T280 | T146-L148 HydrophobicContact CG2-CD2 3.64Å; T146-L148 PolarHBondContact O-N 2.86Å; L148-M275 HydrophobicContact CB-CE 3.96Å; L148-M275 HydrophobicContact CD1-CB 4.23Å; L148-M275 HydrophobicContact CD1-CE 4.16Å; L148-M275 HydrophobicContact CD1-CG 3.95Å; L148-M275 HydrophobicContact CD1-SD 4.18Å; L148-D276 HydrophobicContact CD1-CB 4.04Å; L148-D276 HydrophobicContact CD2-CB 4.13Å; L148-A279 HydrophobicContact CD2-CB 3.95Å; L148-T280 HydrophobicContact CD2-CG2 4.31Å | ||
| 149 | P | 96.7 | Very high | 93.4 | Very high | 63 Ų | 63 | 83.9 Ų | 83.9 | 41% | 0.409 | 42% | 0.419 | S | S | . | . | trans | -60.2 | 153.3 | 170.4 | 27.4 | -34.4 | 0 | 0 | 0 | 110.4 | K151 V152 A279 Y324 | P149-K151 VanDerWaalsContact C-N 3.27Å; P149-K151 PolarHBondContact O-N 3.4Å; P149-V152 HydrophobicContact CB-CG2 4.45Å; P149-V152 HydrophobicContact CG-CG2 3.53Å; P149-A279 HydrophobicContact CG-CB 4.26Å; P149-Y324 VanDerWaalsContact O-CE2 3.29Å; P149-Y324 WeakPolarHBondContact O-CE2 3.21Å; P149-Y324 PolarHBondContact O-OH 3.28Å; P149-Y324 VanDerWaalsContact O-OH 3.12Å | ||
| 150 | S | 96.3 | Very high | 93.6 | Very high | 108 Ų | 108 | 80.1 Ų | 80.1 | 76% | 0.755 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.9 | -20.7 | 176.9 | 55 | 0 | 0 | 0 | 0 | 113 | ||
| 151 | K | 98.4 | Very high | 93.8 | Very high | 100 Ų | 100 | 79.7 Ų | 79.7 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | trans | -144.5 | 135.9 | -178.8 | -175.8 | 172.7 | -177 | 166.3 | 0 | 110.8 | P149 Y324 | P149-K151 VanDerWaalsContact C-N 3.27Å; P149-K151 PolarHBondContact O-N 3.4Å; K151-Y324 WeakPolarHBondContact CA-O 3.25Å | ||
| 152 | V | 98.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 78.9 Ų | 78.9 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.6 | 172.6 | 175.5 | 0 | 0 | 0 | 0 | 107.9 | P149 W154 V278 A279 G323 Y324 | P149-V152 HydrophobicContact CB-CG2 4.45Å; P149-V152 HydrophobicContact CG-CG2 3.53Å; V152-W154 HydrophobicContact CG1-CG 4.39Å; V152-W154 HydrophobicContact CG1-CZ2 4.48Å; V152-V278 HydrophobicContact CG1-CG1 4.27Å; V152-A279 HydrophobicContact CG2-CB 4.19Å; V152-G323 CarbonylContact O-C 3.53Å; V152-G323 WeakPolarHBondContact O-CA 3.33Å; V152-Y324 HydrophobicContact CB-CD1 4.25Å; V152-Y324 HydrophobicContact CB-CE1 3.95Å; V152-Y324 HydrophobicContact CB-CE2 4.48Å; V152-Y324 HydrophobicContact CG2-CD1 4.46Å; V152-Y324 HydrophobicContact CG2-CE1 3.7Å; V152-Y324 HydrophobicContact CG2-CE2 4.05Å; V152-Y324 VanDerWaalsContact CG2-CZ 3.46Å; V152-Y324 WeakPolarHBondContact CG2-OH 3.23Å; V152-Y324 PolarHBondContact N-O 3.2Å; V152-Y324 PolarHBondContact O-N 2.98Å; V152-Y324 VanDerWaalsContact O-O 3.05Å |
| 153 | D | 98.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 76.6 Ų | 76.6 | 8% | 0.075 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 91.3 | 174.7 | -172.6 | -14.4 | 0 | 0 | 0 | 109.1 | R155 R156 L334 | D153-R155 PolarHBondContact O-N 3.41Å; D153-R155 VanDerWaalsContact OD1-CB 3.27Å; D153-R155 WeakPolarHBondContact OD1-CB 3.14Å; D153-R155 WeakPolarHBondContact OD1-CG 3.23Å; D153-R155 IonicContact OD1-CZ 3.75Å; D153-R155 PolarHBondContact OD1-N 3.12Å; D153-R155 IonicContact OD1-NE 2.63Å; D153-R155 PolarHBondContact OD1-NE 3.37Å; D153-R155 IonicContact OD1-NH2 3.53Å; D153-R155 IonicContact OD2-CZ 3.96Å; D153-R155 IonicContact OD2-NE 3Å; D153-R155 IonicContact OD2-NH2 2.65Å; D153-R155 PolarHBondContact OD2-NH2 2.75Å; D153-R156 HydrophobicContact CB-CG 4.11Å; D153-R156 WeakPolarHBondContact O-CB 3.27Å; D153-R156 PolarHBondContact O-N 2.94Å; D153-R156 IonicContact OD2-NE 3.54Å; D153-L334 HydrophobicContact CB-CD2 4.46Å |
| 154 | W | 98.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 75.5 Ų | 75.5 | 10% | 0.095 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.4 | -176.3 | -76.2 | 114.5 | 0 | 0 | 0 | 113.9 | V152 R156 E157 G158 A159 V160 V278 P283 V322 | V152-W154 HydrophobicContact CG1-CG 4.39Å; V152-W154 HydrophobicContact CG1-CZ2 4.48Å; W154-R156 VanDerWaalsContact C-N 3.33Å; W154-E157 HydrophobicContact CE3-CB 3.82Å; W154-E157 HydrophobicContact CE3-CG 3.91Å; W154-E157 HydrophobicContact CZ3-CB 4.12Å; W154-E157 HydrophobicContact CZ3-CG 4.06Å; W154-E157 PolarHBondContact O-N 2.63Å; W154-G158 PolarHBondContact O-N 2.88Å; W154-A159 HydrophobicContact CB-CB 4.22Å; W154-A159 HydrophobicContact CD2-CB 4.43Å; W154-A159 HydrophobicContact CE3-CB 3.8Å; W154-A159 PolarHBondContact O-N 3.01Å; W154-V160 HydrophobicContact CB-CG2 3.7Å; W154-V278 PolarHBondContact NE1-O 2.82Å; W154-P283 HydrophobicContact CB-CG 3.92Å; W154-P283 HydrophobicContact CG-CG 3.92Å; W154-V322 WeakPolarHBondContact CB-O 3.31Å; W154-V322 PolarHBondContact N-O 3.35Å |
| 155 | R | 98.5 | Very high | 96.2 | Very high | 94 Ų | 94 | 71.7 Ų | 71.7 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -38.7 | 172.3 | -51.6 | 172.8 | -61.8 | -179 | 0.9 | 110.9 | D153 E157 G158 V160 V322 Y348 | D153-R155 PolarHBondContact O-N 3.41Å; D153-R155 VanDerWaalsContact OD1-CB 3.27Å; D153-R155 WeakPolarHBondContact OD1-CB 3.14Å; D153-R155 WeakPolarHBondContact OD1-CG 3.23Å; D153-R155 IonicContact OD1-CZ 3.75Å; D153-R155 PolarHBondContact OD1-N 3.12Å; D153-R155 IonicContact OD1-NE 2.63Å; D153-R155 PolarHBondContact OD1-NE 3.37Å; D153-R155 IonicContact OD1-NH2 3.53Å; D153-R155 IonicContact OD2-CZ 3.96Å; D153-R155 IonicContact OD2-NE 3Å; D153-R155 IonicContact OD2-NH2 2.65Å; D153-R155 PolarHBondContact OD2-NH2 2.75Å; R155-E157 VanDerWaalsContact C-N 3.25Å; R155-E157 PolarHBondContact O-N 2.82Å; R155-G158 PolarHBondContact O-N 3.42Å; R155-G158 VanDerWaalsContact O-N 3.14Å; R155-V160 HydrophobicContact CG-CB 4.08Å; R155-V160 HydrophobicContact CG-CG1 4.24Å; R155-V160 HydrophobicContact CG-CG2 4.1Å; R155-V322 HydrophobicContact CG-CG2 4.33Å; R155-Y348 VanDerWaalsContact CD-CE1 3.45Å; R155-Y348 VanDerWaalsContact CD-CZ 3.46Å; R155-Y348 HydrophobicContact CG-CE1 4.24Å |
| 156 | R | 98 | Very high | 96.9 | Very high | 186 Ų | 186 | 63.6 Ų | 63.6 | 70% | 0.702 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -27.2 | 178.9 | -63.8 | -176.5 | 175.4 | -149 | -10.3 | 112.4 | D153 W154 G158 | D153-R156 HydrophobicContact CB-CG 4.11Å; D153-R156 WeakPolarHBondContact O-CB 3.27Å; D153-R156 PolarHBondContact O-N 2.94Å; D153-R156 IonicContact OD2-NE 3.54Å; W154-R156 VanDerWaalsContact C-N 3.33Å; R156-G158 VanDerWaalsContact C-N 3.3Å |
| 157 | E | 97.4 | Very high | 97.6 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 55% | 0.547 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.4 | 174.4 | -53.1 | -55.2 | 140.2 | 0 | 0 | 112.4 | W154 R155 Y186 | W154-E157 HydrophobicContact CE3-CB 3.82Å; W154-E157 HydrophobicContact CE3-CG 3.91Å; W154-E157 HydrophobicContact CZ3-CB 4.12Å; W154-E157 HydrophobicContact CZ3-CG 4.06Å; W154-E157 PolarHBondContact O-N 2.63Å; R155-E157 VanDerWaalsContact C-N 3.25Å; R155-E157 PolarHBondContact O-N 2.82Å; E157-Y186 PolarHBondContact O-OH 3.09Å |
| 158 | G | 97.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 59 Ų | 59 | 32% | 0.32 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 17.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W154 R155 R156 Y186 | W154-G158 PolarHBondContact O-N 2.88Å; R155-G158 PolarHBondContact O-N 3.42Å; R155-G158 VanDerWaalsContact O-N 3.14Å; R156-G158 VanDerWaalsContact C-N 3.3Å; G158-Y186 WeakPolarHBondContact O-CD2 3.27Å; G158-Y186 WeakPolarHBondContact O-CE2 3.39Å |
| 159 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -94.3 | 12.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | W154 G183 Y186 | W154-A159 HydrophobicContact CB-CB 4.22Å; W154-A159 HydrophobicContact CD2-CB 4.43Å; W154-A159 HydrophobicContact CE3-CB 3.8Å; W154-A159 PolarHBondContact O-N 3.01Å; A159-G183 WeakPolarHBondContact O-CA 3.43Å; A159-Y186 HydrophobicContact CB-CD1 3.3Å; A159-Y186 HydrophobicContact CB-CE1 3.83Å; A159-Y186 HydrophobicContact CB-CG 3.76Å | ||
| 160 | V | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -136.3 | 124.9 | -174 | -175.3 | 0 | 0 | 0 | 0 | 109 | W154 R155 P283 V322 K336 | W154-V160 HydrophobicContact CB-CG2 3.7Å; R155-V160 HydrophobicContact CG-CB 4.08Å; R155-V160 HydrophobicContact CG-CG1 4.24Å; R155-V160 HydrophobicContact CG-CG2 4.1Å; V160-P283 HydrophobicContact CG2-CG 4.18Å; V160-V322 HydrophobicContact CG1-CG1 3.98Å; V160-V322 HydrophobicContact CG2-CB 3.99Å; V160-V322 HydrophobicContact CG2-CG1 3.77Å; V160-K336 HydrophobicContact CG1-CD 3.71Å |
| 161 | T | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -67 | 170 | 173.7 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | E182 L192 V193 N194 K336 | T161-E182 WeakPolarHBondContact CB-OE2 3.35Å; T161-E182 VanDerWaalsContact CG2-CD 3.49Å; T161-E182 HydrophobicContact CG2-CG 4.37Å; T161-E182 WeakPolarHBondContact CG2-OE2 3.29Å; T161-E182 PolarHBondContact OG1-OE2 2.82Å; T161-L192 HydrophobicContact CG2-CD1 4.14Å; T161-L192 HydrophobicContact CG2-CD2 4.09Å; T161-L192 HydrophobicContact CG2-CG 4.06Å; T161-V193 VanDerWaalsContact CG2-O 3.26Å; T161-V193 WeakPolarHBondContact CG2-O 3.27Å; T161-N194 HydrophobicContact CG2-CB 4.4Å; T161-K336 VanDerWaalsContact C-NZ 3.28Å; T161-K336 PolarHBondContact O-NZ 3.41Å; T161-K336 PolarHBondContact OG1-NZ 2.84Å |
| 162 | D | 98.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 44.1 Ų | 44.1 | 72% | 0.722 | 22% | 0.218 | S | C | * | . | P | Polyproline II helix | trans | -62 | 158.8 | 173.6 | -63.8 | -29.8 | 0 | 0 | 0 | 112.2 | K164 K336 | D162-K164 PolarHBondContact O-N 2.94Å; D162-K336 VanDerWaalsContact O-CE 3.28Å; D162-K336 WeakPolarHBondContact O-CE 3.28Å; D162-K336 PolarHBondContact O-NZ 3.24Å |
| 163 | V | 98.7 | Very high | 98 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 128.2 | 176.9 | 169.4 | 0 | 0 | 0 | 0 | 109.6 | K336 E341 K346 Y348 | V163-K336 HydrophobicContact CG2-CG 4.27Å; V163-E341 HydrophobicContact CB-CG 3.92Å; V163-E341 HydrophobicContact CG1-CG 4.14Å; V163-K346 WeakPolarHBondContact CG2-O 2.97Å; V163-Y348 HydrophobicContact CG2-CD2 4.08Å; V163-Y348 HydrophobicContact CG2-CE2 3.43Å; V163-Y348 VanDerWaalsContact CG2-CE2 3.43Å |
| 164 | K | 98.4 | Very high | 98 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -101.2 | 172.7 | 176.8 | -57.7 | -178.2 | 179 | 179.6 | 0 | 110.7 | D162 F175 E182 N194 L195 E197 S338 G340 | D162-K164 PolarHBondContact O-N 2.94Å; K164-F175 HydrophobicContact CB-CD1 3.86Å; K164-F175 HydrophobicContact CB-CE1 3.53Å; K164-F175 HydrophobicContact CD-CD1 4Å; K164-F175 HydrophobicContact CD-CE1 3.78Å; K164-F175 HydrophobicContact CG-CE1 4.31Å; K164-E182 IonicContact NZ-OE1 3.81Å; K164-N194 WeakPolarHBondContact CE-OD1 3.28Å; K164-N194 PolarHBondContact NZ-OD1 2.78Å; K164-L195 PolarHBondContact NZ-O 2.66Å; K164-L195 VanDerWaalsContact NZ-O 3.11Å; K164-E197 WeakPolarHBondContact CD-OE1 3.01Å; K164-E197 IonicContact NZ-OE1 2.73Å; K164-E197 PolarHBondContact NZ-OE1 2.75Å; K164-E197 IonicContact NZ-OE2 2.78Å; K164-E197 PolarHBondContact NZ-OE2 2.91Å; K164-S338 CarbonylContact O-C 3.56Å; K164-G340 PolarHBondContact O-N 3.33Å; K164-G340 VanDerWaalsContact O-N 3.09Å |
| 165 | N | 98.1 | Very high | 98 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 34% | 0.342 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -129.2 | 116.1 | 175.3 | -167 | -23.6 | 0 | 0 | 0 | 110.5 | G167 S338 | N165-G167 PolarHBondContact O-N 3.29Å; N165-G167 WeakPolarHBondContact OD1-CA 3.08Å; N165-G167 PolarHBondContact OD1-N 3.39Å; N165-S338 CarbonylContact C-O 3.34Å; N165-S338 WeakPolarHBondContact CA-O 3.46Å |
| 166 | Q | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -70.4 | -15 | 177.5 | 72.9 | -173.5 | 83.4 | 0 | 0 | 113.2 | L123 C169 F175 Y238 S338 | L123-Q166 PolarHBondContact O-NE2 3.4Å; Q166-C169 PolarHBondContact NE2-O 3.48Å; Q166-F175 HydrophobicContact CB-CD2 3.77Å; Q166-F175 HydrophobicContact CB-CE2 3.34Å; Q166-F175 HydrophobicContact CB-CZ 3.93Å; Q166-Y238 PolarHBondContact O-OH 2.96Å; Q166-S338 WeakPolarHBondContact CG-O 3.29Å; Q166-S338 PolarHBondContact N-O 3.38Å; Q166-S338 PolarHBondContact OE1-OG 3.43Å | ||
| 167 | G | 96.3 | Very high | 98.1 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 24% | 0.237 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | -130.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L123 N165 G241 | L123-G167 WeakPolarHBondContact CD2-O 3.31Å; N165-G167 PolarHBondContact O-N 3.29Å; N165-G167 WeakPolarHBondContact OD1-CA 3.08Å; N165-G167 PolarHBondContact OD1-N 3.39Å; G167-G241 CarbonylContact C-O 3.5Å; G167-G241 VanDerWaalsContact CA-O 3.31Å; G167-G241 WeakPolarHBondContact CA-O 3.48Å |
| 168 | Q | 96 | Very high | 98.2 | Very high | 135 Ų | 135 | 23.5 Ų | 23.5 | 63% | 0.631 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.2 | -176.5 | -57.3 | -174.7 | 29.3 | 0 | 0 | 113.9 | G241 | Q168-G241 PolarHBondContact N-O 3.4Š|
| 169 | C | 97.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -87.3 | 135.9 | -178.9 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | Q166 S171 C212 Y238 S240 | Q166-C169 PolarHBondContact NE2-O 3.48Å; C169-S171 PolarHBondContact O-N 3.26Å; C169-S171 WeakPolarHBondContact SG-CB 3.26Å; C169-S171 PolarHBondContact SG-OG 3.33Å; C169-S171 VanDerWaalsContact SG-OG 3.36Å; C169-C212 HydrophobicContact CB-CB 3.9Å; C169-C212 WeakPolarHBondContact CB-SG 3.16Å; C169-C212 WeakPolarHBondContact SG-CA 3.42Å; C169-C212 WeakPolarHBondContact SG-CB 3.19Å; C169-C212 CovalentContact SG-SG 2.03Å; C169-C212 PolarHBondContact SG-SG 2.78Å; C169-Y238 WeakPolarHBondContact CB-OH 3.28Å; C169-S240 WeakPolarHBondContact CB-O 3.48Å |
| 170 | G | 97.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -75.5 | 50.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K122 G125 W173 C212 | K122-G170 WeakPolarHBondContact O-CA 3.41Å; K122-G170 PolarHBondContact O-N 3.2Å; G125-G170 WeakPolarHBondContact CA-O 3.47Å; G170-W173 PolarHBondContact O-NE1 3.38Å; G170-C212 VanDerWaalsContact CA-O 3.23Å; G170-C212 WeakPolarHBondContact CA-O 3.33Å; G170-C212 PolarHBondContact N-O 3.07Å; G170-C212 VanDerWaalsContact N-O 3.11Å |
| 171 | S | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -102.5 | 13.3 | -174.8 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | C169 W173 A174 F175 Y238 | C169-S171 PolarHBondContact O-N 3.26Å; C169-S171 WeakPolarHBondContact SG-CB 3.26Å; C169-S171 PolarHBondContact SG-OG 3.33Å; C169-S171 VanDerWaalsContact SG-OG 3.36Å; S171-W173 PolarHBondContact O-N 3.25Å; S171-A174 WeakPolarHBondContact O-CA 3.35Å; S171-A174 VanDerWaalsContact O-CB 3.27Å; S171-A174 WeakPolarHBondContact O-CB 3.32Å; S171-A174 PolarHBondContact O-N 2.85Å; S171-F175 WeakPolarHBondContact O-CD2 3.43Å; S171-F175 PolarHBondContact O-N 3.42Å; S171-Y238 PolarHBondContact OG-OH 3.15Å | ||
| 172 | C | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -48.3 | -35 | 179.3 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | G125 A174 F175 S176 H317 G318 | G125-C172 PolarHBondContact N-SG 3.42Å; C172-A174 VanDerWaalsContact C-N 3.3Å; C172-A174 PolarHBondContact O-N 3.12Å; C172-F175 PolarHBondContact O-N 2.8Å; C172-S176 WeakPolarHBondContact O-CB 3.3Å; C172-S176 PolarHBondContact O-N 3.5Å; C172-H317 WeakPolarHBondContact CB-CE1 3.43Å; C172-H317 VanDerWaalsContact CB-ND1 3.26Å; C172-H317 WeakPolarHBondContact CB-ND1 3.32Å; C172-H317 PolarHBondContact SG-ND1 3.03Å; C172-G318 PolarHBondContact SG-N 2.76Å |
| 173 | W | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | 174.5 | 60.7 | -91.2 | 0 | 0 | 0 | 112.2 | G170 S171 T177 L200 V201 N209 G211 G214 M217 A220 | G170-W173 PolarHBondContact O-NE1 3.38Å; S171-W173 PolarHBondContact O-N 3.25Å; W173-T177 WeakPolarHBondContact O-CB 3.36Å; W173-T177 PolarHBondContact O-N 3.44Å; W173-T177 PolarHBondContact O-OG1 2.93Å; W173-L200 HydrophobicContact CH2-CB 4.09Å; W173-L200 WeakPolarHBondContact CH2-O 3.43Å; W173-L200 HydrophobicContact CZ3-CB 3.89Å; W173-V201 HydrophobicContact CZ2-CG2 4.47Å; W173-N209 HydrophobicContact CH2-CB 3.7Å; W173-N209 HydrophobicContact CZ2-CB 4.01Å; W173-N209 HydrophobicContact CZ3-CB 4.05Å; W173-N209 WeakPolarHBondContact CZ3-ND2 3.41Å; W173-G211 PolarHBondContact NE1-O 3.11Å; W173-G211 VanDerWaalsContact NE1-O 3.11Å; W173-G214 VanDerWaalsContact NE1-C 3.33Å; W173-M217 HydrophobicContact CB-SD 4.17Å; W173-A220 HydrophobicContact CE3-CB 4.19Å; W173-A220 HydrophobicContact CZ3-CB 3.98Å |
| 174 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S171 C172 S176 T177 T178 E197 L200 V201 | S171-A174 WeakPolarHBondContact O-CA 3.35Å; S171-A174 VanDerWaalsContact O-CB 3.27Å; S171-A174 WeakPolarHBondContact O-CB 3.32Å; S171-A174 PolarHBondContact O-N 2.85Å; C172-A174 VanDerWaalsContact C-N 3.3Å; C172-A174 PolarHBondContact O-N 3.12Å; A174-S176 PolarHBondContact O-N 3.39Å; A174-T177 WeakPolarHBondContact O-CB 3.4Å; A174-T177 PolarHBondContact O-N 2.93Å; A174-T177 VanDerWaalsContact O-N 3.16Å; A174-T178 PolarHBondContact O-N 2.03Å; A174-T178 PolarHBondContact O-OG1 3.3Å; A174-T178 VanDerWaalsContact O-OG1 3.13Å; A174-E197 HydrophobicContact CB-CB 4.19Å; A174-E197 HydrophobicContact CB-CG 4.4Å; A174-L200 HydrophobicContact CB-CB 3.98Å; A174-L200 HydrophobicContact CB-CD1 4.08Å; A174-V201 HydrophobicContact CB-CG2 4.26Å |
| 175 | F | 98.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 13.8 Ų | 13.8 | 8% | 0.083 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.7 | -73.2 | -89.8 | 0 | 0 | 0 | 113 | K164 Q166 S171 C172 T177 T178 G179 E197 Y238 | K164-F175 HydrophobicContact CB-CD1 3.86Å; K164-F175 HydrophobicContact CB-CE1 3.53Å; K164-F175 HydrophobicContact CD-CD1 4Å; K164-F175 HydrophobicContact CD-CE1 3.78Å; K164-F175 HydrophobicContact CG-CE1 4.31Å; Q166-F175 HydrophobicContact CB-CD2 3.77Å; Q166-F175 HydrophobicContact CB-CE2 3.34Å; Q166-F175 HydrophobicContact CB-CZ 3.93Å; S171-F175 WeakPolarHBondContact O-CD2 3.43Å; S171-F175 PolarHBondContact O-N 3.42Å; C172-F175 PolarHBondContact O-N 2.8Å; F175-T177 VanDerWaalsContact C-N 3.34Å; F175-T178 PolarHBondContact O-OG1 3.47Å; F175-T178 VanDerWaalsContact O-OG1 3.13Å; F175-G179 PolarHBondContact O-N 3.42Å; F175-G179 VanDerWaalsContact O-N 3.11Å; F175-E197 HydrophobicContact CB-CG 4.35Å; F175-E197 HydrophobicContact CD1-CG 3.64Å; F175-E197 HydrophobicContact CD2-CB 4.47Å; F175-E197 HydrophobicContact CD2-CG 4Å; F175-E197 HydrophobicContact CE1-CB 4.37Å; F175-E197 HydrophobicContact CE1-CG 3.75Å; F175-E197 HydrophobicContact CE2-CB 4.19Å; F175-E197 HydrophobicContact CE2-CG 4.1Å; F175-E197 HydrophobicContact CG-CG 3.76Å; F175-E197 HydrophobicContact CZ-CB 4.14Å; F175-E197 HydrophobicContact CZ-CG 3.99Å; F175-Y238 HydrophobicContact CE2-CD2 4.45Å; F175-Y238 HydrophobicContact CE2-CE1 4.33Å; F175-Y238 AromaticContact CE2-CE2 3.85Å; F175-Y238 HydrophobicContact CE2-CE2 3.85Å; F175-Y238 AromaticContact CE2-CZ 3.78Å; F175-Y238 HydrophobicContact CZ-CD1 4.13Å; F175-Y238 HydrophobicContact CZ-CD2 4.08Å; F175-Y238 AromaticContact CZ-CE1 3.91Å; F175-Y238 HydrophobicContact CZ-CE1 3.91Å; F175-Y238 AromaticContact CZ-CE2 3.87Å; F175-Y238 HydrophobicContact CZ-CE2 3.87Å; F175-Y238 HydrophobicContact CZ-CG 4.2Å; F175-Y238 AromaticContact CZ-CZ 3.78Å |
| 176 | S | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.014 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 173 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | C172 A174 A180 S285 V319 | C172-S176 WeakPolarHBondContact O-CB 3.3Å; C172-S176 PolarHBondContact O-N 3.5Å; A174-S176 PolarHBondContact O-N 3.39Å; S176-A180 PolarHBondContact O-N 3.09Å; S176-A180 VanDerWaalsContact O-N 3.16Å; S176-S285 PolarHBondContact O-OG 3.12Å; S176-S285 WeakPolarHBondContact OG-CA 3.45Å; S176-S285 WeakPolarHBondContact OG-CB 3.47Å; S176-S285 PolarHBondContact OG-OG 3.47Å; S176-V319 PolarHBondContact OG-O 3.38Å |
| 177 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.8 | -55.4 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | W173 A174 F175 G179 A180 I181 L200 M217 A220 F221 | W173-T177 WeakPolarHBondContact O-CB 3.36Å; W173-T177 PolarHBondContact O-N 3.44Å; W173-T177 PolarHBondContact O-OG1 2.93Å; A174-T177 WeakPolarHBondContact O-CB 3.4Å; A174-T177 PolarHBondContact O-N 2.93Å; A174-T177 VanDerWaalsContact O-N 3.16Å; F175-T177 VanDerWaalsContact C-N 3.34Å; T177-G179 VanDerWaalsContact C-N 3.32Å; T177-G179 PolarHBondContact O-N 2.99Å; T177-A180 PolarHBondContact O-N 3.46Å; T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 WeakPolarHBondContact O-CG1 3.22Å; T177-I181 PolarHBondContact O-N 3.19Å; T177-L200 HydrophobicContact CG2-CD1 3.73Å; T177-M217 VanDerWaalsContact OG1-CA 3.32Å; T177-M217 WeakPolarHBondContact OG1-CA 3.23Å; T177-A220 HydrophobicContact CG2-CB 3.5Å; T177-A220 VanDerWaalsContact CG2-CB 3.5Å; T177-F221 HydrophobicContact CG2-CD1 3.51Å; T177-F221 HydrophobicContact CG2-CE1 3.37Å; T177-F221 HydrophobicContact CG2-CZ 4.29Å |
| 178 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | -179.9 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | A174 F175 A180 I181 E182 L195 E197 L200 I230 | A174-T178 PolarHBondContact O-N 2.03Å; A174-T178 PolarHBondContact O-OG1 3.3Å; A174-T178 VanDerWaalsContact O-OG1 3.13Å; F175-T178 PolarHBondContact O-OG1 3.47Å; F175-T178 VanDerWaalsContact O-OG1 3.13Å; T178-A180 VanDerWaalsContact C-N 3.27Å; T178-A180 PolarHBondContact O-N 3.47Å; T178-I181 PolarHBondContact O-N 2.6Å; T178-E182 WeakPolarHBondContact O-CB 3.2Å; T178-E182 WeakPolarHBondContact O-CG 3.4Å; T178-E182 PolarHBondContact O-N 3.31Å; T178-L195 HydrophobicContact CG2-CB 4Å; T178-E197 WeakPolarHBondContact CB-OE1 3.25Å; T178-E197 HydrophobicContact CG2-CG 3.8Å; T178-E197 WeakPolarHBondContact OG1-CG 3.25Å; T178-E197 PolarHBondContact OG1-OE1 2.98Å; T178-L200 HydrophobicContact CG2-CD1 3.83Å; T178-I230 HydrophobicContact CG2-CD1 4.07Å |
| 179 | G | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 5% | 0.052 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.1 | -35.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F175 T177 G183 | F175-G179 PolarHBondContact O-N 3.42Å; F175-G179 VanDerWaalsContact O-N 3.11Å; T177-G179 VanDerWaalsContact C-N 3.32Å; T177-G179 PolarHBondContact O-N 2.99Å; G179-G183 PolarHBondContact O-N 2.9Å; G179-G183 VanDerWaalsContact O-N 3.09Å |
| 180 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.1 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S176 T177 T178 G183 Q184 F221 S285 L320 P368 | S176-A180 PolarHBondContact O-N 3.09Å; S176-A180 VanDerWaalsContact O-N 3.16Å; T177-A180 PolarHBondContact O-N 3.46Å; T178-A180 VanDerWaalsContact C-N 3.27Å; T178-A180 PolarHBondContact O-N 3.47Å; A180-G183 PolarHBondContact O-N 3.29Å; A180-Q184 WeakPolarHBondContact O-CB 3.34Å; A180-Q184 VanDerWaalsContact O-CG 3.24Å; A180-Q184 WeakPolarHBondContact O-CG 3.5Å; A180-Q184 PolarHBondContact O-N 2.04Å; A180-F221 HydrophobicContact CB-CE1 4.41Å; A180-F221 HydrophobicContact CB-CZ 4.12Å; A180-S285 WeakPolarHBondContact CB-OG 3.45Å; A180-L320 HydrophobicContact CB-CD1 3.87Å; A180-P368 HydrophobicContact CB-CG 4.22Å |
| 181 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 175 | -60.9 | 169.6 | 0 | 0 | 0 | 110.3 | T177 T178 G183 Q184 H185 L195 F221 V224 A258 V260 P368 V370 | T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 WeakPolarHBondContact O-CG1 3.22Å; T177-I181 PolarHBondContact O-N 3.19Å; T178-I181 PolarHBondContact O-N 2.6Å; I181-G183 PolarHBondContact O-N 3.4Å; I181-Q184 PolarHBondContact O-N 3.36Å; I181-H185 VanDerWaalsContact O-CB 3.24Å; I181-H185 WeakPolarHBondContact O-CB 3.21Å; I181-H185 PolarHBondContact O-N 3Å; I181-L195 HydrophobicContact CB-CD1 3.69Å; I181-L195 HydrophobicContact CG2-CD1 3.44Å; I181-L195 VanDerWaalsContact CG2-CD1 3.44Å; I181-F221 HydrophobicContact CD1-CD1 4.22Å; I181-F221 HydrophobicContact CD1-CE1 4.38Å; I181-F221 HydrophobicContact CG1-CD1 4.13Å; I181-F221 HydrophobicContact CG1-CE1 3.98Å; I181-V224 HydrophobicContact CD1-CB 4.47Å; I181-V224 HydrophobicContact CD1-CG1 4.34Å; I181-V224 HydrophobicContact CD1-CG2 4.09Å; I181-A258 HydrophobicContact CG2-CB 3.7Å; I181-V260 HydrophobicContact CD1-CG2 3.77Å; I181-V260 HydrophobicContact CG1-CG2 3.8Å; I181-V260 HydrophobicContact CG2-CG2 4.19Å; I181-P368 HydrophobicContact CB-CG 4.31Å; I181-P368 HydrophobicContact CG1-CB 4.13Å; I181-P368 HydrophobicContact CG1-CG 3.72Å; I181-V370 HydrophobicContact CG2-CG2 4.3Å |
| 182 | E | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 175.8 | -70.5 | 170.4 | 171.7 | 0 | 0 | 111 | T161 K164 T178 H185 Y186 V193 N194 L195 | T161-E182 WeakPolarHBondContact CB-OE2 3.35Å; T161-E182 VanDerWaalsContact CG2-CD 3.49Å; T161-E182 HydrophobicContact CG2-CG 4.37Å; T161-E182 WeakPolarHBondContact CG2-OE2 3.29Å; T161-E182 PolarHBondContact OG1-OE2 2.82Å; K164-E182 IonicContact NZ-OE1 3.81Å; T178-E182 WeakPolarHBondContact O-CB 3.2Å; T178-E182 WeakPolarHBondContact O-CG 3.4Å; T178-E182 PolarHBondContact O-N 3.31Å; E182-H185 PolarHBondContact O-N 3.39Å; E182-Y186 WeakPolarHBondContact O-CB 3.42Å; E182-Y186 PolarHBondContact O-N 3.3Å; E182-V193 HydrophobicContact CG-CG2 4.36Å; E182-V193 VanDerWaalsContact CG-O 3.3Å; E182-V193 WeakPolarHBondContact CG-O 3.44Å; E182-N194 WeakPolarHBondContact OE1-CA 3.48Å; E182-L195 HydrophobicContact CG-CB 4.29Å; E182-L195 HydrophobicContact CG-CD1 3.77Å; E182-L195 HydrophobicContact CG-CG 3.73Å; E182-L195 PolarHBondContact OE1-N 2.95Å |
| 183 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A159 G179 A180 I181 Y186 R187 | A159-G183 WeakPolarHBondContact O-CA 3.43Å; G179-G183 PolarHBondContact O-N 2.9Å; G179-G183 VanDerWaalsContact O-N 3.09Å; A180-G183 PolarHBondContact O-N 3.29Å; I181-G183 PolarHBondContact O-N 3.4Å; G183-Y186 PolarHBondContact O-N 3.15Å; G183-R187 VanDerWaalsContact O-CG 3.23Å; G183-R187 WeakPolarHBondContact O-CG 3.14Å; G183-R187 PolarHBondContact O-N 3.42Å |
| 184 | Q | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.6 | -36.7 | 179.4 | -65.4 | -60.1 | -42.5 | 0 | 0 | 112.3 | A180 I181 R187 K188 K281 P368 V370 | A180-Q184 WeakPolarHBondContact O-CB 3.34Å; A180-Q184 VanDerWaalsContact O-CG 3.24Å; A180-Q184 WeakPolarHBondContact O-CG 3.5Å; A180-Q184 PolarHBondContact O-N 2.04Å; I181-Q184 PolarHBondContact O-N 3.36Å; Q184-R187 PolarHBondContact O-N 2.86Å; Q184-K188 PolarHBondContact O-N 3.01Å; Q184-K188 VanDerWaalsContact O-N 3.08Å; Q184-K281 PolarHBondContact NE2-O 3.05Å; Q184-K281 PolarHBondContact OE1-O 3.25Å; Q184-P368 HydrophobicContact CB-CG 4.3Å; Q184-P368 HydrophobicContact CG-CG 3.91Å; Q184-P368 WeakPolarHBondContact CG-O 3.2Å; Q184-V370 HydrophobicContact CB-CB 4.19Å; Q184-V370 HydrophobicContact CB-CG2 3.6Å |
| 185 | H | 98.7 | Very high | 98.4 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 172.5 | -175.7 | 96.5 | 0 | 0 | 0 | 110.8 | I181 E182 R187 K188 T189 R191 V193 L257 A258 V370 | I181-H185 VanDerWaalsContact O-CB 3.24Å; I181-H185 WeakPolarHBondContact O-CB 3.21Å; I181-H185 PolarHBondContact O-N 3Å; E182-H185 PolarHBondContact O-N 3.39Å; H185-R187 VanDerWaalsContact C-N 3.3Å; H185-R187 PolarHBondContact O-N 3.05Å; H185-K188 PolarHBondContact O-N 2.91Å; H185-K188 VanDerWaalsContact O-N 3.11Å; H185-T189 PolarHBondContact CD2-OG1 3.47Å; H185-T189 VanDerWaalsContact CD2-OG1 3.22Å; H185-T189 PolarHBondContact NE2-OG1 3.31Å; H185-T189 VanDerWaalsContact NE2-OG1 3.13Å; H185-T189 PolarHBondContact O-N 3.22Å; H185-T189 PolarHBondContact O-OG1 2.76Å; H185-R191 PolarHBondContact CD2-O 2.89Å; H185-R191 VanDerWaalsContact CD2-O 3.31Å; H185-V193 HydrophobicContact CB-CG2 4.2Å; H185-L257 PolarHBondContact CE1-O 3.45Å; H185-L257 VanDerWaalsContact CE1-O 3.22Å; H185-A258 HydrophobicContact CB-CB 4.46Å; H185-V370 HydrophobicContact CB-CG1 4.15Å |
| 186 | Y | 98.6 | Very high | 98.4 | Very high | 42 Ų | 42 | 38.7 Ų | 38.7 | 17% | 0.165 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.4 | -45.7 | 174.4 | 178.5 | -87.2 | 0 | 0 | 0 | 111.1 | E157 G158 A159 E182 G183 K188 T189 N190 R191 L192 | E157-Y186 PolarHBondContact O-OH 3.09Å; G158-Y186 WeakPolarHBondContact O-CD2 3.27Å; G158-Y186 WeakPolarHBondContact O-CE2 3.39Å; A159-Y186 HydrophobicContact CB-CD1 3.3Å; A159-Y186 HydrophobicContact CB-CE1 3.83Å; A159-Y186 HydrophobicContact CB-CG 3.76Å; E182-Y186 WeakPolarHBondContact O-CB 3.42Å; E182-Y186 PolarHBondContact O-N 3.3Å; G183-Y186 PolarHBondContact O-N 3.15Å; Y186-K188 PolarHBondContact O-N 3.16Å; Y186-T189 PolarHBondContact O-N 3.15Å; Y186-N190 VanDerWaalsContact O-CA 3.22Å; Y186-N190 WeakPolarHBondContact O-CA 3.46Å; Y186-N190 PolarHBondContact O-N 2.97Å; Y186-N190 PolarHBondContact OH-OD1 3.43Å; Y186-R191 WeakPolarHBondContact CA-O 3.3Å; Y186-L192 HydrophobicContact CD2-CB 3.98Å |
| 187 | R | 97.5 | Very high | 98.4 | Very high | 97 Ų | 97 | 38.7 Ų | 38.7 | 37% | 0.366 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.9 | -30.3 | 178.7 | -72.4 | -66.2 | -53.1 | -88.6 | -8.2 | 113.6 | G183 Q184 H185 T280 K281 | G183-R187 VanDerWaalsContact O-CG 3.23Å; G183-R187 WeakPolarHBondContact O-CG 3.14Å; G183-R187 PolarHBondContact O-N 3.42Å; Q184-R187 PolarHBondContact O-N 2.86Å; H185-R187 VanDerWaalsContact C-N 3.3Å; H185-R187 PolarHBondContact O-N 3.05Å; R187-T280 PolarHBondContact NH1-O 3.44Å; R187-T280 PolarHBondContact NH2-O 2.84Å; R187-K281 PolarHBondContact NH1-O 3.25Å; R187-K281 VanDerWaalsContact NH1-O 3.14Å |
| 188 | K | 97.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 38.7 Ų | 38.7 | 58% | 0.583 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -82.3 | -41.6 | 176.9 | -178.1 | -176.6 | -171.2 | 168.4 | 0 | 113 | Q184 H185 Y186 V370 | Q184-K188 PolarHBondContact O-N 3.01Å; Q184-K188 VanDerWaalsContact O-N 3.08Å; H185-K188 PolarHBondContact O-N 2.91Å; H185-K188 VanDerWaalsContact O-N 3.11Å; Y186-K188 PolarHBondContact O-N 3.16Å; K188-V370 HydrophobicContact CD-CG1 4Å; K188-V370 WeakPolarHBondContact CD-O 3.29Å; K188-V370 PolarHBondContact NZ-O 3.42Å; K188-V370 VanDerWaalsContact NZ-O 3.14Å; K188-V370 PolarHBondContact NZ-OXT 3.42Å |
| 189 | T | 97.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 38.7 Ų | 38.7 | 28% | 0.276 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -114.4 | -9.9 | -164.7 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | H185 Y186 R191 | H185-T189 PolarHBondContact CD2-OG1 3.47Å; H185-T189 VanDerWaalsContact CD2-OG1 3.22Å; H185-T189 PolarHBondContact NE2-OG1 3.31Å; H185-T189 VanDerWaalsContact NE2-OG1 3.13Å; H185-T189 PolarHBondContact O-N 3.22Å; H185-T189 PolarHBondContact O-OG1 2.76Å; Y186-T189 PolarHBondContact O-N 3.15Å; T189-R191 PolarHBondContact O-N 3.44Å; T189-R191 PolarHBondContact OG1-N 3.16Å; T189-R191 PolarHBondContact OG1-O 2.74Å |
| 190 | N | 97.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 38.5 Ų | 38.5 | 64% | 0.636 | 18% | 0.177 | S | C | * | . | S | Bend | trans | 57.9 | 23.2 | -169.8 | -157.6 | 53.5 | 0 | 0 | 0 | 113.7 | Y186 | Y186-N190 VanDerWaalsContact O-CA 3.22Å; Y186-N190 WeakPolarHBondContact O-CA 3.46Å; Y186-N190 PolarHBondContact O-N 2.97Å; Y186-N190 PolarHBondContact OH-OD1 3.43Å |
| 191 | R | 97.7 | Very high | 98.4 | Very high | 172 Ų | 172 | 38.5 Ų | 38.5 | 65% | 0.649 | 18% | 0.177 | S | C | * | . | trans | -123.1 | 124 | 176.6 | -63.8 | -172.2 | -64.7 | -154.6 | 1.1 | 109.5 | H185 Y186 T189 | H185-R191 PolarHBondContact CD2-O 2.89Å; H185-R191 VanDerWaalsContact CD2-O 3.31Å; Y186-R191 WeakPolarHBondContact CA-O 3.3Å; T189-R191 PolarHBondContact O-N 3.44Å; T189-R191 PolarHBondContact OG1-N 3.16Å; T189-R191 PolarHBondContact OG1-O 2.74Å | ||
| 192 | L | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 39 Ų | 39 | 37% | 0.372 | 18% | 0.18 | S | C | . | . | trans | -80.6 | 130.7 | 174.5 | -172.1 | 65.1 | 0 | 0 | 0 | 108.5 | T161 Y186 | T161-L192 HydrophobicContact CG2-CD1 4.14Å; T161-L192 HydrophobicContact CG2-CD2 4.09Å; T161-L192 HydrophobicContact CG2-CG 4.06Å; Y186-L192 HydrophobicContact CD2-CB 3.98Å | ||
| 193 | V | 98.3 | Very high | 98.3 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | trans | -113.7 | 159.3 | 175 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | T161 E182 H185 L195 L257 | T161-V193 VanDerWaalsContact CG2-O 3.26Å; T161-V193 WeakPolarHBondContact CG2-O 3.27Å; E182-V193 HydrophobicContact CG-CG2 4.36Å; E182-V193 VanDerWaalsContact CG-O 3.3Å; E182-V193 WeakPolarHBondContact CG-O 3.44Å; H185-V193 HydrophobicContact CB-CG2 4.2Å; V193-L195 HydrophobicContact CB-CD2 4.32Å; V193-L195 HydrophobicContact CG2-CD1 4.43Å; V193-L195 HydrophobicContact CG2-CD2 3.83Å; V193-L195 HydrophobicContact CG2-CG 4.04Å; V193-L257 HydrophobicContact CB-CB 4.33Å; V193-L257 HydrophobicContact CB-CD1 4.19Å; V193-L257 HydrophobicContact CG1-CB 4.29Å; V193-L257 HydrophobicContact CG1-CD1 4.34Å | ||
| 194 | N | 98.4 | Very high | 98.1 | Very high | 67 Ų | 67 | 39.7 Ų | 39.7 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | trans | -120.2 | 113 | 175 | -170.8 | -6 | 0 | 0 | 0 | 108 | T161 K164 E182 S232 E233 | T161-N194 HydrophobicContact CG2-CB 4.4Å; K164-N194 WeakPolarHBondContact CE-OD1 3.28Å; K164-N194 PolarHBondContact NZ-OD1 2.78Å; E182-N194 WeakPolarHBondContact OE1-CA 3.48Å; N194-S232 WeakPolarHBondContact O-CA 3.45Å; N194-E233 HydrophobicContact CB-CB 4.43Å; N194-E233 PolarHBondContact O-N 3.32Å | ||
| 195 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -101.8 | 154 | -167.9 | -59 | 178.3 | 0 | 0 | 0 | 112 | K164 T178 I181 E182 V193 E197 I230 L257 A258 | K164-L195 PolarHBondContact NZ-O 2.66Å; K164-L195 VanDerWaalsContact NZ-O 3.11Å; T178-L195 HydrophobicContact CG2-CB 4Å; I181-L195 HydrophobicContact CB-CD1 3.69Å; I181-L195 HydrophobicContact CG2-CD1 3.44Å; I181-L195 VanDerWaalsContact CG2-CD1 3.44Å; E182-L195 HydrophobicContact CG-CB 4.29Å; E182-L195 HydrophobicContact CG-CD1 3.77Å; E182-L195 HydrophobicContact CG-CG 3.73Å; E182-L195 PolarHBondContact OE1-N 2.95Å; V193-L195 HydrophobicContact CB-CD2 4.32Å; V193-L195 HydrophobicContact CG2-CD1 4.43Å; V193-L195 HydrophobicContact CG2-CD2 3.83Å; V193-L195 HydrophobicContact CG2-CG 4.04Å; L195-E197 PolarHBondContact O-N 2.86Å; L195-I230 HydrophobicContact CB-CD1 4.22Å; L195-I230 HydrophobicContact CD1-CG2 3.89Å; L195-I230 HydrophobicContact CD2-CG2 4.04Å; L195-I230 HydrophobicContact CG-CG2 4.43Å; L195-L257 HydrophobicContact CD2-CB 3.82Å; L195-A258 HydrophobicContact CD1-CB 4.04Å; L195-A258 HydrophobicContact CD2-CB 4Å |
| 196 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -77.7 | 108.1 | -178.5 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | Q198 Q199 D231 Y236 | S196-Q198 PolarHBondContact O-N 3.47Å; S196-Q198 PolarHBondContact OG-N 3.26Å; S196-Q199 PolarHBondContact OG-N 2.9Å; S196-D231 PolarHBondContact N-O 3.29Å; S196-Y236 VanDerWaalsContact CB-O 3.31Å; S196-Y236 WeakPolarHBondContact CB-O 3.46Å; S196-Y236 WeakPolarHBondContact OG-CB 3.07Å; S196-Y236 PolarHBondContact OG-O 3.21Å | ||
| 197 | E | 98.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -30.3 | 165.6 | -70.3 | 81.2 | -167.5 | 0 | 0 | 111.7 | K164 A174 F175 T178 L195 Q199 L200 V201 Y238 | K164-E197 WeakPolarHBondContact CD-OE1 3.01Å; K164-E197 IonicContact NZ-OE1 2.73Å; K164-E197 PolarHBondContact NZ-OE1 2.75Å; K164-E197 IonicContact NZ-OE2 2.78Å; K164-E197 PolarHBondContact NZ-OE2 2.91Å; A174-E197 HydrophobicContact CB-CB 4.19Å; A174-E197 HydrophobicContact CB-CG 4.4Å; F175-E197 HydrophobicContact CB-CG 4.35Å; F175-E197 HydrophobicContact CD1-CG 3.64Å; F175-E197 HydrophobicContact CD2-CB 4.47Å; F175-E197 HydrophobicContact CD2-CG 4Å; F175-E197 HydrophobicContact CE1-CB 4.37Å; F175-E197 HydrophobicContact CE1-CG 3.75Å; F175-E197 HydrophobicContact CE2-CB 4.19Å; F175-E197 HydrophobicContact CE2-CG 4.1Å; F175-E197 HydrophobicContact CG-CG 3.76Å; F175-E197 HydrophobicContact CZ-CB 4.14Å; F175-E197 HydrophobicContact CZ-CG 3.99Å; T178-E197 WeakPolarHBondContact CB-OE1 3.25Å; T178-E197 HydrophobicContact CG2-CG 3.8Å; T178-E197 WeakPolarHBondContact OG1-CG 3.25Å; T178-E197 PolarHBondContact OG1-OE1 2.98Å; L195-E197 PolarHBondContact O-N 2.86Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 2.79Å; E197-L200 WeakPolarHBondContact O-CB 3.47Å; E197-L200 PolarHBondContact O-N 3.06Å; E197-L200 VanDerWaalsContact O-N 3.12Å; E197-V201 WeakPolarHBondContact O-CG2 3.49Å; E197-V201 PolarHBondContact O-N 2.86Å; E197-Y238 HydrophobicContact CB-CD2 4.03Å; E197-Y238 HydrophobicContact CB-CE2 4.39Å |
| 198 | Q | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | -179 | -166.1 | 61.8 | 52.9 | 0 | 0 | 112.1 | S196 L200 V201 D202 Y236 P237 Y238 V239 S240 | S196-Q198 PolarHBondContact O-N 3.47Å; S196-Q198 PolarHBondContact OG-N 3.26Å; Q198-L200 VanDerWaalsContact C-N 3.25Å; Q198-L200 PolarHBondContact O-N 2.91Å; Q198-V201 PolarHBondContact O-N 3.43Å; Q198-D202 WeakPolarHBondContact CG-OD2 3Å; Q198-D202 VanDerWaalsContact NE2-CG 3.34Å; Q198-D202 PolarHBondContact NE2-OD1 2.93Å; Q198-D202 PolarHBondContact NE2-OD2 3.38Å; Q198-D202 WeakPolarHBondContact O-CB 3.33Å; Q198-D202 PolarHBondContact O-N 3.19Å; Q198-Y236 HydrophobicContact CB-CD2 3.88Å; Q198-Y236 HydrophobicContact CB-CE2 3.91Å; Q198-Y236 HydrophobicContact CG-CD2 3.84Å; Q198-Y236 HydrophobicContact CG-CE2 3.43Å; Q198-Y236 VanDerWaalsContact CG-CE2 3.43Å; Q198-P237 WeakPolarHBondContact CB-O 3.25Å; Q198-Y238 HydrophobicContact CB-CD2 4.43Å; Q198-V239 HydrophobicContact CG-CG2 4.11Å; Q198-S240 PolarHBondContact NE2-OG 2.85Å; Q198-S240 PolarHBondContact OE1-OG 2.72Å |
| 199 | Q | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.9 | -44.3 | 174.5 | -179.1 | -175.7 | -22.5 | 0 | 0 | 110.8 | S196 E197 D202 C203 Y223 N227 G229 Y236 F251 | S196-Q199 PolarHBondContact OG-N 2.9Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 2.79Å; Q199-D202 PolarHBondContact O-N 3Å; Q199-C203 HydrophobicContact CG-CB 4.33Å; Q199-C203 WeakPolarHBondContact O-CA 3.41Å; Q199-C203 WeakPolarHBondContact O-CB 3.47Å; Q199-C203 PolarHBondContact O-N 3.32Å; Q199-C203 PolarHBondContact O-SG 3.43Å; Q199-Y223 HydrophobicContact CG-CE1 4.19Å; Q199-Y223 PolarHBondContact NE2-OH 2.63Å; Q199-N227 PolarHBondContact NE2-ND2 3.37Å; Q199-G229 PolarHBondContact NE2-O 2.74Å; Q199-Y236 HydrophobicContact CB-CD1 3.8Å; Q199-Y236 HydrophobicContact CB-CE1 3.87Å; Q199-Y236 HydrophobicContact CG-CD1 4.36Å; Q199-Y236 HydrophobicContact CG-CE1 4.23Å; Q199-F251 HydrophobicContact CG-CB 4.41Å; Q199-F251 VanDerWaalsContact NE2-CD2 3.3Å |
| 200 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 179.2 | -60.6 | -177.3 | 0 | 0 | 0 | 111 | W173 A174 T177 T178 E197 Q198 D202 S204 A220 Y223 V224 I230 | W173-L200 HydrophobicContact CH2-CB 4.09Å; W173-L200 WeakPolarHBondContact CH2-O 3.43Å; W173-L200 HydrophobicContact CZ3-CB 3.89Å; A174-L200 HydrophobicContact CB-CB 3.98Å; A174-L200 HydrophobicContact CB-CD1 4.08Å; T177-L200 HydrophobicContact CG2-CD1 3.73Å; T178-L200 HydrophobicContact CG2-CD1 3.83Å; E197-L200 WeakPolarHBondContact O-CB 3.47Å; E197-L200 PolarHBondContact O-N 3.06Å; E197-L200 VanDerWaalsContact O-N 3.12Å; Q198-L200 VanDerWaalsContact C-N 3.25Å; Q198-L200 PolarHBondContact O-N 2.91Å; L200-D202 VanDerWaalsContact C-N 3.3Å; L200-D202 PolarHBondContact O-N 3.34Å; L200-S204 WeakPolarHBondContact O-CB 3.39Å; L200-S204 PolarHBondContact O-N 3.32Å; L200-S204 PolarHBondContact O-OG 3.28Å; L200-A220 HydrophobicContact CD1-CB 4.25Å; L200-A220 HydrophobicContact CD2-CB 4.29Å; L200-Y223 HydrophobicContact CD2-CD1 3.73Å; L200-Y223 HydrophobicContact CD2-CE1 3.95Å; L200-V224 HydrophobicContact CD2-CG2 3.69Å; L200-I230 HydrophobicContact CD1-CD1 4.32Å; L200-I230 HydrophobicContact CD2-CD1 3.95Å; L200-I230 HydrophobicContact CG-CD1 4.03Å |
| 201 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.7 | -44.5 | 177.8 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | W173 A174 E197 Q198 Y238 E245 | W173-V201 HydrophobicContact CZ2-CG2 4.47Å; A174-V201 HydrophobicContact CB-CG2 4.26Å; E197-V201 WeakPolarHBondContact O-CG2 3.49Å; E197-V201 PolarHBondContact O-N 2.86Å; Q198-V201 PolarHBondContact O-N 3.43Å; V201-Y238 HydrophobicContact CG2-CE2 4.49Å; V201-E245 HydrophobicContact CG1-CG 4.15Å |
| 202 | D | 98 | Very high | 96.9 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -85.5 | -37 | -173 | -64.5 | -19.4 | 0 | 0 | 0 | 113.4 | Q198 Q199 L200 Y236 N246 | Q198-D202 WeakPolarHBondContact CG-OD2 3Å; Q198-D202 VanDerWaalsContact NE2-CG 3.34Å; Q198-D202 PolarHBondContact NE2-OD1 2.93Å; Q198-D202 PolarHBondContact NE2-OD2 3.38Å; Q198-D202 WeakPolarHBondContact O-CB 3.33Å; Q198-D202 PolarHBondContact O-N 3.19Å; Q199-D202 PolarHBondContact O-N 3Å; L200-D202 VanDerWaalsContact C-N 3.3Å; L200-D202 PolarHBondContact O-N 3.34Å; D202-Y236 WeakPolarHBondContact CB-OH 3.27Å; D202-Y236 PolarHBondContact OD2-OH 2.79Å; D202-N246 PolarHBondContact OD1-N 2.86Å; D202-N246 WeakPolarHBondContact OD2-CB 3.34Å; D202-N246 PolarHBondContact OD2-ND2 3.03Å |
| 203 | C | 97.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 11% | 0.108 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -104.7 | -18.6 | -163.1 | -54.3 | 0 | 0 | 0 | 0 | 114.9 | Q199 K205 Y223 C249 | Q199-C203 HydrophobicContact CG-CB 4.33Å; Q199-C203 WeakPolarHBondContact O-CA 3.41Å; Q199-C203 WeakPolarHBondContact O-CB 3.47Å; Q199-C203 PolarHBondContact O-N 3.32Å; Q199-C203 PolarHBondContact O-SG 3.43Å; C203-K205 PolarHBondContact O-N 3.08Å; C203-Y223 HydrophobicContact CB-CE1 4.17Å; C203-Y223 HydrophobicContact CB-CE2 3.8Å; C203-Y223 VanDerWaalsContact CB-CZ 3.44Å; C203-Y223 WeakPolarHBondContact CB-OH 3.26Å; C203-C249 HydrophobicContact CB-CB 3.82Å; C203-C249 WeakPolarHBondContact CB-SG 3.07Å; C203-C249 VanDerWaalsContact SG-CA 3.52Å; C203-C249 WeakPolarHBondContact SG-CB 3.31Å; C203-C249 CovalentContact SG-SG 2.03Å; C203-C249 PolarHBondContact SG-SG 2.89Å |
| 204 | S | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -92.3 | 14.1 | -172.6 | 69.6 | 0 | 0 | 0 | 0 | 114.8 | L200 S206 Y207 N209 | L200-S204 WeakPolarHBondContact O-CB 3.39Å; L200-S204 PolarHBondContact O-N 3.32Å; L200-S204 PolarHBondContact O-OG 3.28Å; S204-S206 VanDerWaalsContact C-N 3.33Å; S204-S206 PolarHBondContact O-N 3.25Å; S204-Y207 WeakPolarHBondContact O-CB 3.48Å; S204-Y207 PolarHBondContact O-N 3.45Å; S204-N209 VanDerWaalsContact OG-CB 3.3Å; S204-N209 WeakPolarHBondContact OG-CB 3.47Å; S204-N209 PolarHBondContact OG-ND2 2.77Å | ||
| 205 | K | 94.5 | Very high | 96.5 | Very high | 91 Ų | 91 | 23.7 Ų | 23.7 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -60.8 | -37.8 | -175.3 | -68.1 | -179.6 | 178.4 | 178.4 | 0 | 114 | C203 Y207 G208 N209 E245 | C203-K205 PolarHBondContact O-N 3.08Å; K205-Y207 PolarHBondContact O-N 2.78Å; K205-G208 PolarHBondContact O-N 2.9Å; K205-G208 VanDerWaalsContact O-N 3.15Å; K205-N209 VanDerWaalsContact CA-O 3.24Å; K205-N209 WeakPolarHBondContact CA-O 3.21Å; K205-E245 WeakPolarHBondContact CE-OE2 3.46Å; K205-E245 IonicContact NZ-OE2 3.59Å; K205-E245 PolarHBondContact NZ-OE2 3.39Å |
| 206 | S | 94.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 24.2 Ų | 24.2 | 75% | 0.748 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -66.1 | -14.1 | 176.1 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | S204 | S204-S206 VanDerWaalsContact C-N 3.33Å; S204-S206 PolarHBondContact O-N 3.25Å |
| 207 | Y | 93.5 | Very high | 96.4 | Very high | 72 Ų | 72 | 24.4 Ų | 24.4 | 28% | 0.282 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -97 | 8.3 | 177.5 | -66 | -100.1 | 0 | 0 | 0 | 112.6 | S204 K205 S219 E222 Y223 D226 | S204-Y207 WeakPolarHBondContact O-CB 3.48Å; S204-Y207 PolarHBondContact O-N 3.45Å; K205-Y207 PolarHBondContact O-N 2.78Å; Y207-S219 VanDerWaalsContact O-CB 3.25Å; Y207-S219 WeakPolarHBondContact O-CB 3.48Å; Y207-S219 PolarHBondContact O-OG 3.23Å; Y207-E222 HydrophobicContact CD1-CB 3.99Å; Y207-E222 HydrophobicContact CE1-CB 4.32Å; Y207-Y223 AromaticContact CD2-CD2 3.93Å; Y207-Y223 HydrophobicContact CD2-CD2 3.93Å; Y207-Y223 HydrophobicContact CD2-CG 4.31Å; Y207-Y223 AromaticContact CE2-CD2 3.7Å; Y207-Y223 HydrophobicContact CE2-CD2 3.7Å; Y207-Y223 HydrophobicContact CE2-CG 4.37Å; Y207-D226 HydrophobicContact CE1-CB 4.33Å; Y207-D226 WeakPolarHBondContact OH-CB 2.88Å |
| 208 | G | 92.7 | Very high | 96.3 | Very high | 30 Ų | 30 | 25.3 Ų | 25.3 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -0.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K205 N210 | K205-G208 PolarHBondContact O-N 2.9Å; K205-G208 VanDerWaalsContact O-N 3.15Å; G208-N210 PolarHBondContact O-ND2 3.31Å; G208-N210 VanDerWaalsContact O-ND2 3.16Å |
| 209 | N | 94.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -77.1 | 153.7 | 168.5 | -68.1 | -29 | 0 | 0 | 0 | 110.5 | W173 S204 K205 G215 L216 | W173-N209 HydrophobicContact CH2-CB 3.7Å; W173-N209 HydrophobicContact CZ2-CB 4.01Å; W173-N209 HydrophobicContact CZ3-CB 4.05Å; W173-N209 WeakPolarHBondContact CZ3-ND2 3.41Å; S204-N209 VanDerWaalsContact OG-CB 3.3Å; S204-N209 WeakPolarHBondContact OG-CB 3.47Å; S204-N209 PolarHBondContact OG-ND2 2.77Å; K205-N209 VanDerWaalsContact CA-O 3.24Å; K205-N209 WeakPolarHBondContact CA-O 3.21Å; N209-G215 WeakPolarHBondContact OD1-CA 3.36Å; N209-L216 PolarHBondContact OD1-N 2.69Å; N209-L216 PolarHBondContact OD1-O 3.3Å | ||
| 210 | N | 95.2 | Very high | 96 | Very high | 77 Ų | 77 | 25.5 Ų | 25.5 | 41% | 0.412 | 15% | 0.151 | S | C | . | . | trans | -133.2 | 38.4 | -175.5 | -60.9 | -79.7 | 0 | 0 | 0 | 111.2 | G208 C212 S213 G214 | G208-N210 PolarHBondContact O-ND2 3.31Å; G208-N210 VanDerWaalsContact O-ND2 3.16Å; N210-C212 PolarHBondContact O-N 2.85Å; N210-S213 WeakPolarHBondContact O-CA 3.06Å; N210-S213 VanDerWaalsContact O-CB 3.24Å; N210-S213 WeakPolarHBondContact O-CB 3.46Å; N210-S213 PolarHBondContact O-N 3.33Å; N210-G214 WeakPolarHBondContact CA-O 3.46Å; N210-G214 PolarHBondContact N-O 3.36Å | ||
| 211 | G | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | 56.5 | -124.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W173 S213 G214 | W173-G211 PolarHBondContact NE1-O 3.11Å; W173-G211 VanDerWaalsContact NE1-O 3.11Å; G211-S213 PolarHBondContact O-N 3.33Å; G211-G214 PolarHBondContact O-N 2.78Å |
| 212 | C | 96.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -69.3 | -14.3 | 175.2 | -63 | 0 | 0 | 0 | 0 | 113.6 | C169 G170 N210 E245 | C169-C212 HydrophobicContact CB-CB 3.9Å; C169-C212 WeakPolarHBondContact CB-SG 3.16Å; C169-C212 WeakPolarHBondContact SG-CA 3.42Å; C169-C212 WeakPolarHBondContact SG-CB 3.19Å; C169-C212 CovalentContact SG-SG 2.03Å; C169-C212 PolarHBondContact SG-SG 2.78Å; G170-C212 VanDerWaalsContact CA-O 3.23Å; G170-C212 WeakPolarHBondContact CA-O 3.33Å; G170-C212 PolarHBondContact N-O 3.07Å; G170-C212 VanDerWaalsContact N-O 3.11Å; N210-C212 PolarHBondContact O-N 2.85Å; C212-E245 HydrophobicContact CB-CG 4.12Å; C212-E245 WeakPolarHBondContact CB-OE1 3.38Å; C212-E245 PolarHBondContact N-OE1 2.84Å |
| 213 | S | 95.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 26.8 Ų | 26.8 | 49% | 0.49 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -84.1 | 2.3 | 172.6 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | K127 N210 G211 | K127-S213 VanDerWaalsContact CD-O 3.29Å; K127-S213 WeakPolarHBondContact CD-O 3.01Å; K127-S213 WeakPolarHBondContact CE-O 3.44Å; K127-S213 PolarHBondContact NZ-O 2.79Å; N210-S213 WeakPolarHBondContact O-CA 3.06Å; N210-S213 VanDerWaalsContact O-CB 3.24Å; N210-S213 WeakPolarHBondContact O-CB 3.46Å; N210-S213 PolarHBondContact O-N 3.33Å; G211-S213 PolarHBondContact O-N 3.33Å |
| 214 | G | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 106.6 | 171.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G125 W173 N210 G211 | G125-G214 CarbonylContact O-C 3.56Å; G125-G214 WeakPolarHBondContact O-CA 3.47Å; W173-G214 VanDerWaalsContact NE1-C 3.33Å; N210-G214 WeakPolarHBondContact CA-O 3.46Å; N210-G214 PolarHBondContact N-O 3.36Å; G211-G214 PolarHBondContact O-N 2.78Å | ||
| 215 | G | 96.2 | Very high | 96 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -178.3 | -170.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G125 K127 N209 | G125-G215 PolarHBondContact O-N 3.36Å; K127-G215 PolarHBondContact N-O 3.25Å; K127-G215 VanDerWaalsContact N-O 3.15Å; N209-G215 WeakPolarHBondContact OD1-CA 3.36Å |
| 216 | L | 96.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | trans | -131.3 | 139.4 | -177.1 | -65.5 | 174.9 | 0 | 0 | 0 | 110.6 | Y126 K127 V128 A132 N209 N218 S219 A220 | Y126-L216 HydrophobicContact CD2-CD2 3.89Å; Y126-L216 HydrophobicContact CE2-CD2 3.4Å; K127-L216 VanDerWaalsContact O-CD2 3.25Å; K127-L216 WeakPolarHBondContact O-CD2 3.25Å; K127-L216 VanDerWaalsContact O-CG 3.3Å; K127-L216 WeakPolarHBondContact O-CG 3.43Å; V128-L216 HydrophobicContact CG2-CD2 4.47Å; A132-L216 HydrophobicContact CB-CD1 3.55Å; N209-L216 PolarHBondContact OD1-N 2.69Å; N209-L216 PolarHBondContact OD1-O 3.3Å; L216-N218 VanDerWaalsContact C-N 3.28Å; L216-N218 PolarHBondContact O-N 2.8Å; L216-S219 PolarHBondContact O-N 3.32Å; L216-A220 PolarHBondContact O-N 2.96Å; L216-A220 VanDerWaalsContact O-N 3.12Å | ||
| 217 | M | 97.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 176.4 | -59.7 | 80.2 | 81.9 | 0 | 0 | 111.7 | Y126 W173 T177 A220 F221 V286 A287 | Y126-M217 HydrophobicContact CD2-CE 4.22Å; Y126-M217 HydrophobicContact CD2-SD 3.89Å; Y126-M217 HydrophobicContact CE2-CE 4.19Å; Y126-M217 HydrophobicContact CE2-SD 4.23Å; W173-M217 HydrophobicContact CB-SD 4.17Å; T177-M217 VanDerWaalsContact OG1-CA 3.32Å; T177-M217 WeakPolarHBondContact OG1-CA 3.23Å; M217-A220 WeakPolarHBondContact O-CB 3.3Å; M217-A220 PolarHBondContact O-N 2.03Å; M217-A220 VanDerWaalsContact O-N 3.15Å; M217-F221 HydrophobicContact CB-CE2 4.04Å; M217-F221 HydrophobicContact CB-CZ 4.15Å; M217-F221 VanDerWaalsContact O-CD2 3.28Å; M217-F221 WeakPolarHBondContact O-CD2 3.48Å; M217-F221 VanDerWaalsContact O-CG 3.26Å; M217-F221 WeakPolarHBondContact O-CG 3.46Å; M217-F221 PolarHBondContact O-N 3.23Å; M217-V286 VanDerWaalsContact CE-C 3.43Å; M217-V286 WeakPolarHBondContact CE-O 3.43Å; M217-A287 HydrophobicContact CE-CB 4.35Å |
| 218 | N | 96.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.8 | -72.4 | -1.2 | 0 | 0 | 0 | 113 | L216 A220 F221 E222 Y263 N265 S366 | L216-N218 VanDerWaalsContact C-N 3.28Å; L216-N218 PolarHBondContact O-N 2.8Å; N218-A220 VanDerWaalsContact C-N 3.25Å; N218-A220 PolarHBondContact O-N 2.88Å; N218-F221 PolarHBondContact O-N 3.41Å; N218-E222 WeakPolarHBondContact O-CG 3.23Å; N218-E222 PolarHBondContact O-N 3.22Å; N218-Y263 HydrophobicContact CB-CD2 4.46Å; N218-Y263 HydrophobicContact CB-CE2 3.9Å; N218-N265 PolarHBondContact ND2-OD1 3.47Å; N218-S366 VanDerWaalsContact OD1-CB 3.29Å; N218-S366 WeakPolarHBondContact OD1-CB 3.14Å; N218-S366 PolarHBondContact OD1-OG 3.42Å |
| 219 | S | 95.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 173 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | H135 Y207 L216 E222 Y223 | H135-S219 PolarHBondContact CE1-OG 3.49Å; Y207-S219 VanDerWaalsContact O-CB 3.25Å; Y207-S219 WeakPolarHBondContact O-CB 3.48Å; Y207-S219 PolarHBondContact O-OG 3.23Å; L216-S219 PolarHBondContact O-N 3.32Å; S219-E222 PolarHBondContact O-N 3.27Å; S219-Y223 PolarHBondContact O-N 2.95Å |
| 220 | A | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W173 T177 L200 L216 M217 N218 E222 Y223 V224 | W173-A220 HydrophobicContact CE3-CB 4.19Å; W173-A220 HydrophobicContact CZ3-CB 3.98Å; T177-A220 HydrophobicContact CG2-CB 3.5Å; T177-A220 VanDerWaalsContact CG2-CB 3.5Å; L200-A220 HydrophobicContact CD1-CB 4.25Å; L200-A220 HydrophobicContact CD2-CB 4.29Å; L216-A220 PolarHBondContact O-N 2.96Å; L216-A220 VanDerWaalsContact O-N 3.12Å; M217-A220 WeakPolarHBondContact O-CB 3.3Å; M217-A220 PolarHBondContact O-N 2.03Å; M217-A220 VanDerWaalsContact O-N 3.15Å; N218-A220 VanDerWaalsContact C-N 3.25Å; N218-A220 PolarHBondContact O-N 2.88Å; A220-E222 PolarHBondContact O-N 2.65Å; A220-Y223 WeakPolarHBondContact O-CB 3.45Å; A220-Y223 PolarHBondContact O-N 3.16Å; A220-V224 WeakPolarHBondContact O-CG2 3.32Å; A220-V224 PolarHBondContact O-N 2.64Å |
| 221 | F | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 172.6 | -60.6 | -36.8 | 0 | 0 | 0 | 112.4 | T177 A180 I181 M217 N218 V224 R225 V260 Y263 P368 | T177-F221 HydrophobicContact CG2-CD1 3.51Å; T177-F221 HydrophobicContact CG2-CE1 3.37Å; T177-F221 HydrophobicContact CG2-CZ 4.29Å; A180-F221 HydrophobicContact CB-CE1 4.41Å; A180-F221 HydrophobicContact CB-CZ 4.12Å; I181-F221 HydrophobicContact CD1-CD1 4.22Å; I181-F221 HydrophobicContact CD1-CE1 4.38Å; I181-F221 HydrophobicContact CG1-CD1 4.13Å; I181-F221 HydrophobicContact CG1-CE1 3.98Å; M217-F221 HydrophobicContact CB-CE2 4.04Å; M217-F221 HydrophobicContact CB-CZ 4.15Å; M217-F221 VanDerWaalsContact O-CD2 3.28Å; M217-F221 WeakPolarHBondContact O-CD2 3.48Å; M217-F221 VanDerWaalsContact O-CG 3.26Å; M217-F221 WeakPolarHBondContact O-CG 3.46Å; M217-F221 PolarHBondContact O-N 3.23Å; N218-F221 PolarHBondContact O-N 3.41Å; F221-V224 PolarHBondContact O-N 3.04Å; F221-R225 WeakPolarHBondContact O-CB 3.29Å; F221-R225 PolarHBondContact O-N 2.96Å; F221-V260 HydrophobicContact CB-CG1 4.4Å; F221-Y263 HydrophobicContact CB-CD1 3.93Å; F221-Y263 HydrophobicContact CB-CG 4.23Å; F221-Y263 HydrophobicContact CD2-CD2 4.5Å; F221-Y263 HydrophobicContact CD2-CG 4.04Å; F221-P368 HydrophobicContact CD1-CB 3.77Å; F221-P368 HydrophobicContact CD1-CG 4.18Å; F221-P368 HydrophobicContact CE1-CB 3.87Å; F221-P368 HydrophobicContact CE1-CG 3.75Å; F221-P368 HydrophobicContact CG-CB 4.22Å; F221-P368 HydrophobicContact CZ-CB 4.38Å; F221-P368 HydrophobicContact CZ-CG 4.17Å |
| 222 | E | 96.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 14% | 0.136 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.6 | -71.9 | 178.9 | -176.9 | 0 | 0 | 111.7 | H135 K136 Y207 N218 S219 A220 R225 D226 Y263 | H135-E222 IonicContact ND1-OE1 3.67Å; H135-E222 PolarHBondContact ND1-OE1 3Å; H135-E222 IonicContact ND1-OE2 3.5Å; K136-E222 PolarHBondContact N-OE1 2.53Å; Y207-E222 HydrophobicContact CD1-CB 3.99Å; Y207-E222 HydrophobicContact CE1-CB 4.32Å; N218-E222 WeakPolarHBondContact O-CG 3.23Å; N218-E222 PolarHBondContact O-N 3.22Å; S219-E222 PolarHBondContact O-N 3.27Å; A220-E222 PolarHBondContact O-N 2.65Å; E222-R225 PolarHBondContact O-N 3.49Å; E222-D226 PolarHBondContact O-N 3.46Å; E222-Y263 HydrophobicContact CG-CD1 4.44Å; E222-Y263 HydrophobicContact CG-CE1 3.53Å; E222-Y263 PolarHBondContact OE1-OH 3.38Å |
| 223 | Y | 97.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.1 | -52.2 | 173.9 | 163 | -103.5 | 0 | 0 | 0 | 111.6 | Q199 L200 C203 Y207 S219 A220 R225 D226 N227 | Q199-Y223 HydrophobicContact CG-CE1 4.19Å; Q199-Y223 PolarHBondContact NE2-OH 2.63Å; L200-Y223 HydrophobicContact CD2-CD1 3.73Å; L200-Y223 HydrophobicContact CD2-CE1 3.95Å; C203-Y223 HydrophobicContact CB-CE1 4.17Å; C203-Y223 HydrophobicContact CB-CE2 3.8Å; C203-Y223 VanDerWaalsContact CB-CZ 3.44Å; C203-Y223 WeakPolarHBondContact CB-OH 3.26Å; Y207-Y223 AromaticContact CD2-CD2 3.93Å; Y207-Y223 HydrophobicContact CD2-CD2 3.93Å; Y207-Y223 HydrophobicContact CD2-CG 4.31Å; Y207-Y223 AromaticContact CE2-CD2 3.7Å; Y207-Y223 HydrophobicContact CE2-CD2 3.7Å; Y207-Y223 HydrophobicContact CE2-CG 4.37Å; S219-Y223 PolarHBondContact O-N 2.95Å; A220-Y223 WeakPolarHBondContact O-CB 3.45Å; A220-Y223 PolarHBondContact O-N 3.16Å; Y223-R225 VanDerWaalsContact C-N 3.27Å; Y223-R225 PolarHBondContact O-N 3.15Å; Y223-D226 PolarHBondContact O-N 3.47Å; Y223-N227 HydrophobicContact CD2-CB 4.24Å; Y223-N227 HydrophobicContact CE1-CB 4.47Å; Y223-N227 HydrophobicContact CE2-CB 3.78Å; Y223-N227 WeakPolarHBondContact O-CB 3.39Å; Y223-N227 PolarHBondContact O-N 3.33Å; Y223-N227 PolarHBondContact OH-ND2 3.39Å; Y223-N227 PolarHBondContact OH-OD1 3.09Å |
| 224 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -36.7 | -177.3 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | I181 L200 A220 F221 E228 G229 I230 V260 | I181-V224 HydrophobicContact CD1-CB 4.47Å; I181-V224 HydrophobicContact CD1-CG1 4.34Å; I181-V224 HydrophobicContact CD1-CG2 4.09Å; L200-V224 HydrophobicContact CD2-CG2 3.69Å; A220-V224 WeakPolarHBondContact O-CG2 3.32Å; A220-V224 PolarHBondContact O-N 2.64Å; F221-V224 PolarHBondContact O-N 3.04Å; V224-E228 PolarHBondContact O-N 3.31Å; V224-G229 PolarHBondContact O-N 3.48Å; V224-I230 HydrophobicContact CG1-CB 3.94Å; V224-I230 HydrophobicContact CG1-CG2 3.94Å; V224-I230 HydrophobicContact CG2-CB 4.12Å; V224-I230 HydrophobicContact CG2-CD1 4.16Å; V224-V260 HydrophobicContact CB-CB 4.26Å; V224-V260 HydrophobicContact CB-CG2 4.12Å; V224-V260 HydrophobicContact CG1-CB 3.93Å; V224-V260 HydrophobicContact CG1-CG2 3.65Å |
| 225 | R | 97.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 22% | 0.223 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -52.7 | 174.3 | -179.9 | -163.2 | 69.6 | -142.9 | -11.2 | 111.7 | F221 E222 Y223 N227 E228 V260 T261 | F221-R225 WeakPolarHBondContact O-CB 3.29Å; F221-R225 PolarHBondContact O-N 2.96Å; E222-R225 PolarHBondContact O-N 3.49Å; Y223-R225 VanDerWaalsContact C-N 3.27Å; Y223-R225 PolarHBondContact O-N 3.15Å; R225-N227 VanDerWaalsContact C-N 3.32Å; R225-E228 PolarHBondContact O-N 3.26Å; R225-E228 VanDerWaalsContact O-N 3.16Å; R225-V260 WeakPolarHBondContact CA-O 3.49Å; R225-V260 HydrophobicContact CB-CB 4.46Å; R225-V260 HydrophobicContact CB-CG1 4.35Å; R225-V260 WeakPolarHBondContact CB-O 3.18Å; R225-V260 WeakPolarHBondContact CG-O 3.25Å; R225-T261 VanDerWaalsContact CD-O 3.3Å; R225-T261 WeakPolarHBondContact CD-O 3.38Å |
| 226 | D | 97.7 | Very high | 97.7 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 43% | 0.428 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -76.3 | -23.2 | -174 | -65.9 | -12.3 | 0 | 0 | 0 | 112.3 | Y207 E222 Y223 | Y207-D226 HydrophobicContact CE1-CB 4.33Å; Y207-D226 WeakPolarHBondContact OH-CB 2.88Å; E222-D226 PolarHBondContact O-N 3.46Å; Y223-D226 PolarHBondContact O-N 3.47Å |
| 227 | N | 98 | Very high | 97.7 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 20% | 0.203 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.4 | 171.1 | -169.2 | 79.6 | 0 | 0 | 0 | 112.8 | Q199 Y223 R225 G229 F251 | Q199-N227 PolarHBondContact NE2-ND2 3.37Å; Y223-N227 HydrophobicContact CD2-CB 4.24Å; Y223-N227 HydrophobicContact CE1-CB 4.47Å; Y223-N227 HydrophobicContact CE2-CB 3.78Å; Y223-N227 WeakPolarHBondContact O-CB 3.39Å; Y223-N227 PolarHBondContact O-N 3.33Å; Y223-N227 PolarHBondContact OH-ND2 3.39Å; Y223-N227 PolarHBondContact OH-OD1 3.09Å; R225-N227 VanDerWaalsContact C-N 3.32Å; N227-G229 PolarHBondContact ND2-O 2.87Å; N227-G229 PolarHBondContact O-N 3.17Å; N227-F251 VanDerWaalsContact ND2-CE1 3.33Å; N227-F251 WeakPolarHBondContact ND2-CE1 3.13Å; N227-F251 WeakPolarHBondContact ND2-CE2 3.42Å; N227-F251 WeakPolarHBondContact ND2-CZ 3.24Å |
| 228 | E | 97.9 | Very high | 97.8 | Very high | 146 Ų | 146 | 35.9 Ų | 35.9 | 68% | 0.682 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 23.2 | -178.5 | -55.1 | -174.4 | 165.4 | 0 | 0 | 114.5 | V224 R225 Q259 | V224-E228 PolarHBondContact O-N 3.31Å; R225-E228 PolarHBondContact O-N 3.26Å; R225-E228 VanDerWaalsContact O-N 3.16Å; E228-Q259 WeakPolarHBondContact O-CG 3.28Å |
| 229 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | 148.8 | 173.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q199 V224 N227 A258 | Q199-G229 PolarHBondContact NE2-O 2.74Å; V224-G229 PolarHBondContact O-N 3.48Å; N227-G229 PolarHBondContact ND2-O 2.87Å; N227-G229 PolarHBondContact O-N 3.17Å; G229-A258 CarbonylContact C-O 3.58Å; G229-A258 WeakPolarHBondContact CA-O 3.35Å | ||
| 230 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.1 | 177.9 | -174.5 | 172 | 0 | 0 | 0 | 110.1 | T178 L195 L200 V224 I256 L257 A258 | T178-I230 HydrophobicContact CG2-CD1 4.07Å; L195-I230 HydrophobicContact CB-CD1 4.22Å; L195-I230 HydrophobicContact CD1-CG2 3.89Å; L195-I230 HydrophobicContact CD2-CG2 4.04Å; L195-I230 HydrophobicContact CG-CG2 4.43Å; L200-I230 HydrophobicContact CD1-CD1 4.32Å; L200-I230 HydrophobicContact CD2-CD1 3.95Å; L200-I230 HydrophobicContact CG-CD1 4.03Å; V224-I230 HydrophobicContact CG1-CB 3.94Å; V224-I230 HydrophobicContact CG1-CG2 3.94Å; V224-I230 HydrophobicContact CG2-CB 4.12Å; V224-I230 HydrophobicContact CG2-CD1 4.16Å; I230-I256 WeakPolarHBondContact O-CA 3.36Å; I230-L257 PolarHBondContact O-N 2.81Å; I230-A258 HydrophobicContact CG2-CB 3.99Å; I230-A258 WeakPolarHBondContact CG2-O 3.48Å; I230-A258 PolarHBondContact N-O 2.84Å |
| 231 | D | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 161 | -178.6 | -74.3 | 3.7 | 0 | 0 | 0 | 111.7 | S196 F251 N252 N255 | S196-D231 PolarHBondContact N-O 3.29Å; D231-F251 VanDerWaalsContact OD1-CD2 3.3Å; D231-F251 WeakPolarHBondContact OD1-CD2 3.47Å; D231-F251 VanDerWaalsContact OD1-CE2 3.24Å; D231-F251 WeakPolarHBondContact OD1-CE2 3.31Å; D231-N252 PolarHBondContact OD2-N 2.83Å; D231-N255 WeakPolarHBondContact CA-O 3.21Å; D231-N255 HydrophobicContact CB-CB 4.32Å |
| 232 | S | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 12% | 0.119 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 153.4 | 170.5 | 78.2 | 0 | 0 | 0 | 0 | 112.8 | N194 I234 S235 Y236 N255 | N194-S232 WeakPolarHBondContact O-CA 3.45Å; S232-I234 PolarHBondContact O-N 3.3Å; S232-I234 PolarHBondContact OG-N 2.98Å; S232-S235 PolarHBondContact N-OG 2.88Å; S232-S235 PolarHBondContact O-N 3.01Å; S232-S235 PolarHBondContact O-OG 3Å; S232-S235 WeakPolarHBondContact OG-CB 3.17Å; S232-S235 PolarHBondContact OG-N 3.08Å; S232-S235 PolarHBondContact OG-OG 2.95Å; S232-Y236 PolarHBondContact O-N 3.1Å; S232-N255 PolarHBondContact N-O 3.39Å |
| 233 | E | 98.4 | Very high | 97.4 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34.2 | 168.5 | 177.1 | 56.8 | -160.8 | 0 | 0 | 111.8 | N194 Y236 P237 Y238 | N194-E233 HydrophobicContact CB-CB 4.43Å; N194-E233 PolarHBondContact O-N 3.32Å; E233-Y236 CarbonylContact O-C 3.6Å; E233-P237 WeakPolarHBondContact O-CA 3.37Å; E233-P237 WeakPolarHBondContact O-CG 3.45Å; E233-P237 VanDerWaalsContact O-N 3.14Å; E233-Y238 PolarHBondContact OE1-N 3.25Å |
| 234 | I | 98 | Very high | 97.2 | Very high | 156 Ų | 156 | 47.8 Ų | 47.8 | 80% | 0.8 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -41.1 | -178.8 | -63.8 | 176 | 0 | 0 | 0 | 111.4 | S232 | S232-I234 PolarHBondContact O-N 3.3Å; S232-I234 PolarHBondContact OG-N 2.98Å |
| 235 | S | 98 | Very high | 96.8 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -26.1 | -178.5 | 53 | 0 | 0 | 0 | 0 | 113.3 | S232 N255 | S232-S235 PolarHBondContact N-OG 2.88Å; S232-S235 PolarHBondContact O-N 3.01Å; S232-S235 PolarHBondContact O-OG 3Å; S232-S235 WeakPolarHBondContact OG-CB 3.17Å; S232-S235 PolarHBondContact OG-N 3.08Å; S232-S235 PolarHBondContact OG-OG 2.95Å; S235-N255 WeakPolarHBondContact CB-ND2 3.39Å; S235-N255 WeakPolarHBondContact OG-CB 3.11Å |
| 236 | Y | 98 | Very high | 96.4 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -139 | 75.5 | 179.6 | -162.3 | 163.9 | 0 | 0 | 0 | 110.2 | S196 Q198 Q199 D202 S232 E233 L250 | S196-Y236 VanDerWaalsContact CB-O 3.31Å; S196-Y236 WeakPolarHBondContact CB-O 3.46Å; S196-Y236 WeakPolarHBondContact OG-CB 3.07Å; S196-Y236 PolarHBondContact OG-O 3.21Å; Q198-Y236 HydrophobicContact CB-CD2 3.88Å; Q198-Y236 HydrophobicContact CB-CE2 3.91Å; Q198-Y236 HydrophobicContact CG-CD2 3.84Å; Q198-Y236 HydrophobicContact CG-CE2 3.43Å; Q198-Y236 VanDerWaalsContact CG-CE2 3.43Å; Q199-Y236 HydrophobicContact CB-CD1 3.8Å; Q199-Y236 HydrophobicContact CB-CE1 3.87Å; Q199-Y236 HydrophobicContact CG-CD1 4.36Å; Q199-Y236 HydrophobicContact CG-CE1 4.23Å; D202-Y236 WeakPolarHBondContact CB-OH 3.27Å; D202-Y236 PolarHBondContact OD2-OH 2.79Å; S232-Y236 PolarHBondContact O-N 3.1Å; E233-Y236 CarbonylContact O-C 3.6Å; Y236-L250 HydrophobicContact CD1-CB 4.43Å; Y236-L250 VanDerWaalsContact CE1-C 3.45Å; Y236-L250 HydrophobicContact CE1-CB 3.76Å; Y236-L250 HydrophobicContact CE2-CB 4Å; Y236-L250 HydrophobicContact CE2-CD1 4.17Å; Y236-L250 HydrophobicContact CE2-CG 4.35Å; Y236-L250 PolarHBondContact OH-N 2.93Å |
| 237 | P | 97.7 | Very high | 95.8 | Very high | 66 Ų | 66 | 54 Ų | 54 | 43% | 0.429 | 30% | 0.304 | S | S | . | . | trans | -66 | 152.6 | -172.4 | -22.6 | 34.5 | 0 | 0 | 0 | 114.4 | Q198 E233 V239 | Q198-P237 WeakPolarHBondContact CB-O 3.25Å; E233-P237 WeakPolarHBondContact O-CA 3.37Å; E233-P237 WeakPolarHBondContact O-CG 3.45Å; E233-P237 VanDerWaalsContact O-N 3.14Å; P237-V239 PolarHBondContact O-N 3.43Å | ||
| 238 | Y | 98.2 | Very high | 95.6 | Very high | 39 Ų | 39 | 61.6 Ų | 61.6 | 15% | 0.153 | 33% | 0.33 | C | S | . | . | trans | -68.2 | 116 | 172.7 | -168 | -108.6 | 0 | 0 | 0 | 112.4 | Q166 C169 S171 F175 E197 Q198 V201 E233 | Q166-Y238 PolarHBondContact O-OH 2.96Å; C169-Y238 WeakPolarHBondContact CB-OH 3.28Å; S171-Y238 PolarHBondContact OG-OH 3.15Å; F175-Y238 HydrophobicContact CE2-CD2 4.45Å; F175-Y238 HydrophobicContact CE2-CE1 4.33Å; F175-Y238 AromaticContact CE2-CE2 3.85Å; F175-Y238 HydrophobicContact CE2-CE2 3.85Å; F175-Y238 AromaticContact CE2-CZ 3.78Å; F175-Y238 HydrophobicContact CZ-CD1 4.13Å; F175-Y238 HydrophobicContact CZ-CD2 4.08Å; F175-Y238 AromaticContact CZ-CE1 3.91Å; F175-Y238 HydrophobicContact CZ-CE1 3.91Å; F175-Y238 AromaticContact CZ-CE2 3.87Å; F175-Y238 HydrophobicContact CZ-CE2 3.87Å; F175-Y238 HydrophobicContact CZ-CG 4.2Å; F175-Y238 AromaticContact CZ-CZ 3.78Å; E197-Y238 HydrophobicContact CB-CD2 4.03Å; E197-Y238 HydrophobicContact CB-CE2 4.39Å; Q198-Y238 HydrophobicContact CB-CD2 4.43Å; V201-Y238 HydrophobicContact CG2-CE2 4.49Å; E233-Y238 PolarHBondContact OE1-N 3.25Å | ||
| 239 | V | 96.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 57.7 Ų | 57.7 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | trans | -119 | -9.3 | 179.3 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | Q198 P237 G241 | Q198-V239 HydrophobicContact CG-CG2 4.11Å; P237-V239 PolarHBondContact O-N 3.43Å; V239-G241 PolarHBondContact O-N 2.73Å; V239-G241 VanDerWaalsContact O-N 3.16Å | ||
| 240 | S | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -76.2 | 7.6 | 179.5 | -73.3 | 0 | 0 | 0 | 0 | 115.2 | C169 Q198 D242 G243 T244 | C169-S240 WeakPolarHBondContact CB-O 3.48Å; Q198-S240 PolarHBondContact NE2-OG 2.85Å; Q198-S240 PolarHBondContact OE1-OG 2.72Å; S240-D242 PolarHBondContact O-N 3.38Å; S240-D242 VanDerWaalsContact O-N 3.14Å; S240-G243 PolarHBondContact O-N 3.11Å; S240-T244 WeakPolarHBondContact CA-O 3.42Å; S240-T244 WeakPolarHBondContact CB-O 3.42Å; S240-T244 PolarHBondContact OG-O 3.27Å |
| 241 | G | 95 | Very high | 95.4 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -61.4 | -22.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G167 Q168 V239 G243 | G167-G241 CarbonylContact C-O 3.5Å; G167-G241 VanDerWaalsContact CA-O 3.31Å; G167-G241 WeakPolarHBondContact CA-O 3.48Å; Q168-G241 PolarHBondContact N-O 3.4Å; V239-G241 PolarHBondContact O-N 2.73Å; V239-G241 VanDerWaalsContact O-N 3.16Å; G241-G243 VanDerWaalsContact C-N 3.28Å |
| 242 | D | 93.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 68.6 Ų | 68.6 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -84.9 | -0.4 | 174.3 | 69.3 | -5.6 | 0 | 0 | 0 | 113.5 | S240 T244 | S240-D242 PolarHBondContact O-N 3.38Å; S240-D242 VanDerWaalsContact O-N 3.14Å; D242-T244 VanDerWaalsContact OD1-CB 3.28Å; D242-T244 WeakPolarHBondContact OD1-CB 3.42Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.46Å; D242-T244 PolarHBondContact OD1-N 3.36Å; D242-T244 PolarHBondContact OD1-OG1 3.01Å; D242-T244 PolarHBondContact OD2-OG1 2.99Å |
| 243 | G | 92.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 70.9 Ų | 70.9 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 88.8 | 3.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S240 G241 | S240-G243 PolarHBondContact O-N 3.11Å; G241-G243 VanDerWaalsContact C-N 3.28Å |
| 244 | T | 93.1 | Very high | 95.3 | Very high | 80 Ų | 80 | 74.2 Ų | 74.2 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | trans | -89.9 | 156.9 | 172.9 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | S240 D242 | S240-T244 WeakPolarHBondContact CA-O 3.42Å; S240-T244 WeakPolarHBondContact CB-O 3.42Å; S240-T244 PolarHBondContact OG-O 3.27Å; D242-T244 VanDerWaalsContact OD1-CB 3.28Å; D242-T244 WeakPolarHBondContact OD1-CB 3.42Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.46Å; D242-T244 PolarHBondContact OD1-N 3.36Å; D242-T244 PolarHBondContact OD1-OG1 3.01Å; D242-T244 PolarHBondContact OD2-OG1 2.99Å | ||
| 245 | E | 90.1 | Very high | 95.3 | Very high | 52 Ų | 52 | 69.6 Ų | 69.6 | 24% | 0.243 | 40% | 0.398 | C | S | . | . | trans | -120.2 | 152.4 | 178.2 | -64.5 | 175.2 | -160.1 | 0 | 0 | 109.6 | V201 K205 C212 | V201-E245 HydrophobicContact CG1-CG 4.15Å; K205-E245 WeakPolarHBondContact CE-OE2 3.46Å; K205-E245 IonicContact NZ-OE2 3.59Å; K205-E245 PolarHBondContact NZ-OE2 3.39Å; C212-E245 HydrophobicContact CB-CG 4.12Å; C212-E245 WeakPolarHBondContact CB-OE1 3.38Å; C212-E245 PolarHBondContact N-OE1 2.84Å | ||
| 246 | N | 90.2 | Very high | 95.3 | Very high | 51 Ų | 51 | 69.9 Ų | 69.9 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | trans | -71 | 144.6 | 166.5 | -65.1 | -49.4 | 0 | 0 | 0 | 109.6 | D202 R248 | D202-N246 PolarHBondContact OD1-N 2.86Å; D202-N246 WeakPolarHBondContact OD2-CB 3.34Å; D202-N246 PolarHBondContact OD2-ND2 3.03Å; N246-R248 PolarHBondContact O-N 3.11Å | ||
| 247 | N | 84.1 | Confident | 95.3 | Very high | 165 Ų | 165 | 73 Ų | 73 | 88% | 0.882 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -76.8 | -5.4 | 174.5 | -68.1 | -40.8 | 0 | 0 | 0 | 113 | ||
| 248 | R | 93.9 | Very high | 95.3 | Very high | 199 Ų | 199 | 70 Ų | 70 | 75% | 0.751 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -142.6 | 144.1 | -173.5 | -62.5 | -176.4 | -178.2 | 174.7 | 0.5 | 110.8 | N246 L250 | N246-R248 PolarHBondContact O-N 3.11Å; R248-L250 HydrophobicContact CB-CD2 4.45Å |
| 249 | C | 97.2 | Very high | 95.3 | Very high | 64 Ų | 64 | 73.3 Ų | 73.3 | 43% | 0.432 | 41% | 0.41 | S | S | . | . | trans | -73.6 | 126.6 | 166.5 | 177 | 0 | 0 | 0 | 0 | 109.9 | C203 | C203-C249 HydrophobicContact CB-CB 3.82Å; C203-C249 WeakPolarHBondContact CB-SG 3.07Å; C203-C249 VanDerWaalsContact SG-CA 3.52Å; C203-C249 WeakPolarHBondContact SG-CB 3.31Å; C203-C249 CovalentContact SG-SG 2.03Å; C203-C249 PolarHBondContact SG-SG 2.89Å | ||
| 250 | L | 97 | Very high | 95.4 | Very high | 105 Ų | 105 | 69.8 Ų | 69.8 | 55% | 0.55 | 39% | 0.389 | S | S | . | . | trans | -109 | 18.2 | -179.6 | -51.5 | 176.1 | 0 | 0 | 0 | 113.1 | Y236 R248 N252 | Y236-L250 HydrophobicContact CD1-CB 4.43Å; Y236-L250 VanDerWaalsContact CE1-C 3.45Å; Y236-L250 HydrophobicContact CE1-CB 3.76Å; Y236-L250 HydrophobicContact CE2-CB 4Å; Y236-L250 HydrophobicContact CE2-CD1 4.17Å; Y236-L250 HydrophobicContact CE2-CG 4.35Å; Y236-L250 PolarHBondContact OH-N 2.93Å; R248-L250 HydrophobicContact CB-CD2 4.45Å; L250-N252 PolarHBondContact O-N 2.91Å | ||
| 251 | F | 98 | Very high | 95.4 | Very high | 52 Ų | 52 | 74.4 Ų | 74.4 | 23% | 0.228 | 42% | 0.417 | C | S | . | . | trans | -51.3 | 136.3 | 178.6 | 167.1 | -110.9 | 0 | 0 | 0 | 111.7 | Q199 N227 D231 A253 I256 | Q199-F251 HydrophobicContact CG-CB 4.41Å; Q199-F251 VanDerWaalsContact NE2-CD2 3.3Å; N227-F251 VanDerWaalsContact ND2-CE1 3.33Å; N227-F251 WeakPolarHBondContact ND2-CE1 3.13Å; N227-F251 WeakPolarHBondContact ND2-CE2 3.42Å; N227-F251 WeakPolarHBondContact ND2-CZ 3.24Å; D231-F251 VanDerWaalsContact OD1-CD2 3.3Å; D231-F251 WeakPolarHBondContact OD1-CD2 3.47Å; D231-F251 VanDerWaalsContact OD1-CE2 3.24Å; D231-F251 WeakPolarHBondContact OD1-CE2 3.31Å; F251-A253 HydrophobicContact CE1-CB 4.27Å; F251-A253 HydrophobicContact CZ-CB 4.07Å; F251-I256 HydrophobicContact CE2-CD1 4.28Å; F251-I256 HydrophobicContact CE2-CG1 3.87Å; F251-I256 HydrophobicContact CZ-CD1 3.98Å; F251-I256 HydrophobicContact CZ-CG1 4.09Å | ||
| 252 | N | 97.8 | Very high | 95.5 | Very high | 72 Ų | 72 | 73.6 Ų | 73.6 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | trans | -134 | 112.3 | 175.7 | -179 | -14 | 0 | 0 | 0 | 110.7 | D231 L250 S254 N255 | D231-N252 PolarHBondContact OD2-N 2.83Å; L250-N252 PolarHBondContact O-N 2.91Å; N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 VanDerWaalsContact OD1-CB 3.29Å; N252-S254 WeakPolarHBondContact OD1-CB 3.35Å; N252-S254 PolarHBondContact OD1-N 3.32Å; N252-S254 PolarHBondContact OD1-OG 2.63Å; N252-N255 WeakPolarHBondContact O-CB 3.44Å; N252-N255 PolarHBondContact O-N 2.84Å | ||
| 253 | A | 97.3 | Very high | 95.7 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -54.4 | -19.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F251 N255 I256 | F251-A253 HydrophobicContact CE1-CB 4.27Å; F251-A253 HydrophobicContact CZ-CB 4.07Å; A253-N255 PolarHBondContact O-N 2.64Å; A253-I256 HydrophobicContact CB-CD1 4.15Å; A253-I256 WeakPolarHBondContact O-CD1 3.13Å |
| 254 | S | 98 | Very high | 95.9 | Very high | 107 Ų | 107 | 68 Ų | 68 | 75% | 0.748 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -72 | -12.2 | 174.5 | -49.9 | 0 | 0 | 0 | 0 | 113.7 | N252 | N252-S254 PolarHBondContact O-N 3.14Å; N252-S254 VanDerWaalsContact OD1-CB 3.29Å; N252-S254 WeakPolarHBondContact OD1-CB 3.35Å; N252-S254 PolarHBondContact OD1-N 3.32Å; N252-S254 PolarHBondContact OD1-OG 2.63Å |
| 255 | N | 98.3 | Very high | 96.1 | Very high | 59 Ų | 59 | 66 Ų | 66 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -113.5 | 8.3 | -173 | -64.6 | -33.3 | 0 | 0 | 0 | 113.9 | D231 S232 S235 N252 A253 L257 | D231-N255 WeakPolarHBondContact CA-O 3.21Å; D231-N255 HydrophobicContact CB-CB 4.32Å; S232-N255 PolarHBondContact N-O 3.39Å; S235-N255 WeakPolarHBondContact CB-ND2 3.39Å; S235-N255 WeakPolarHBondContact OG-CB 3.11Å; N252-N255 WeakPolarHBondContact O-CB 3.44Å; N252-N255 PolarHBondContact O-N 2.84Å; A253-N255 PolarHBondContact O-N 2.64Å; N255-L257 PolarHBondContact O-N 3.38Å |
| 256 | I | 98.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 64 Ų | 64 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 130 | -179.4 | -66 | 166.6 | 0 | 0 | 0 | 110.6 | I230 F251 A253 A258 Q259 | I230-I256 WeakPolarHBondContact O-CA 3.36Å; F251-I256 HydrophobicContact CE2-CD1 4.28Å; F251-I256 HydrophobicContact CE2-CG1 3.87Å; F251-I256 HydrophobicContact CZ-CD1 3.98Å; F251-I256 HydrophobicContact CZ-CG1 4.09Å; A253-I256 HydrophobicContact CB-CD1 4.15Å; A253-I256 WeakPolarHBondContact O-CD1 3.13Å; I256-A258 WeakPolarHBondContact CG2-O 3.3Å; I256-Q259 HydrophobicContact CG2-CG 4.16Å |
| 257 | L | 97.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -22.8 | 172 | -72.8 | -168.9 | 0 | 0 | 0 | 114.2 | H185 V193 L195 I230 N255 | H185-L257 PolarHBondContact CE1-O 3.45Å; H185-L257 VanDerWaalsContact CE1-O 3.22Å; V193-L257 HydrophobicContact CB-CB 4.33Å; V193-L257 HydrophobicContact CB-CD1 4.19Å; V193-L257 HydrophobicContact CG1-CB 4.29Å; V193-L257 HydrophobicContact CG1-CD1 4.34Å; L195-L257 HydrophobicContact CD2-CB 3.82Å; I230-L257 PolarHBondContact O-N 2.81Å; N255-L257 PolarHBondContact O-N 3.38Å |
| 258 | A | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 157.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I181 H185 L195 G229 I230 I256 | I181-A258 HydrophobicContact CG2-CB 3.7Å; H185-A258 HydrophobicContact CB-CB 4.46Å; L195-A258 HydrophobicContact CD1-CB 4.04Å; L195-A258 HydrophobicContact CD2-CB 4Å; G229-A258 CarbonylContact C-O 3.58Å; G229-A258 WeakPolarHBondContact CA-O 3.35Å; I230-A258 HydrophobicContact CG2-CB 3.99Å; I230-A258 WeakPolarHBondContact CG2-O 3.48Å; I230-A258 PolarHBondContact N-O 2.84Å; I256-A258 WeakPolarHBondContact CG2-O 3.3Å |
| 259 | Q | 98 | Very high | 97.2 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | trans | -130.5 | 155.1 | 175 | -61.3 | -177.2 | 15.6 | 0 | 0 | 108.8 | E228 I256 V370 | E228-Q259 WeakPolarHBondContact O-CG 3.28Å; I256-Q259 HydrophobicContact CG2-CG 4.16Å; Q259-V370 WeakPolarHBondContact O-CG1 3.11Å | ||
| 260 | V | 98.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | trans | -121.3 | 136.1 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 107.4 | I181 F221 V224 R225 G262 P368 L369 | I181-V260 HydrophobicContact CD1-CG2 3.77Å; I181-V260 HydrophobicContact CG1-CG2 3.8Å; I181-V260 HydrophobicContact CG2-CG2 4.19Å; F221-V260 HydrophobicContact CB-CG1 4.4Å; V224-V260 HydrophobicContact CB-CB 4.26Å; V224-V260 HydrophobicContact CB-CG2 4.12Å; V224-V260 HydrophobicContact CG1-CB 3.93Å; V224-V260 HydrophobicContact CG1-CG2 3.65Å; R225-V260 WeakPolarHBondContact CA-O 3.49Å; R225-V260 HydrophobicContact CB-CB 4.46Å; R225-V260 HydrophobicContact CB-CG1 4.35Å; R225-V260 WeakPolarHBondContact CB-O 3.18Å; R225-V260 WeakPolarHBondContact CG-O 3.25Å; V260-G262 WeakPolarHBondContact CG1-O 3.29Å; V260-P368 HydrophobicContact CG1-CB 3.99Å; V260-P368 HydrophobicContact CG2-CB 3.97Å; V260-L369 CarbonylContact C-O 3.54Å; V260-L369 WeakPolarHBondContact CA-O 3.12Å | ||
| 261 | T | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | trans | -104.3 | -16.9 | 177 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | R225 L369 | R225-T261 VanDerWaalsContact CD-O 3.3Å; R225-T261 WeakPolarHBondContact CD-O 3.38Å; T261-L369 PolarHBondContact N-O 3.02Å; T261-L369 PolarHBondContact OG1-O 3.13Å | ||
| 262 | G | 97.1 | Very high | 97 | Very high | 12 Ų | 12 | 57.7 Ų | 57.7 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -164.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V260 P368 L369 | V260-G262 WeakPolarHBondContact CG1-O 3.29Å; G262-P368 CarbonylContact O-C 3.52Å; G262-P368 WeakPolarHBondContact O-CA 3.41Å; G262-L369 PolarHBondContact O-N 2.75Å |
| 263 | Y | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 164.4 | 174.3 | 59.4 | -81.8 | 0 | 0 | 0 | 110.3 | H135 K136 G137 S138 N218 F221 E222 Y367 | H135-Y263 WeakPolarHBondContact CA-OH 3.42Å; H135-Y263 HydrophobicContact CB-CE2 4.26Å; H135-Y263 WeakPolarHBondContact CB-OH 3.4Å; H135-Y263 PolarHBondContact ND1-OH 2.95Å; K136-Y263 PolarHBondContact N-OH 3.44Å; G137-Y263 WeakPolarHBondContact CA-O 3.46Å; G137-Y263 VanDerWaalsContact N-CZ 3.28Å; G137-Y263 PolarHBondContact N-OH 3.4Å; S138-Y263 PolarHBondContact N-O 3.04Å; S138-Y263 PolarHBondContact OG-O 3.31Å; N218-Y263 HydrophobicContact CB-CD2 4.46Å; N218-Y263 HydrophobicContact CB-CE2 3.9Å; F221-Y263 HydrophobicContact CB-CD1 3.93Å; F221-Y263 HydrophobicContact CB-CG 4.23Å; F221-Y263 HydrophobicContact CD2-CD2 4.5Å; F221-Y263 HydrophobicContact CD2-CG 4.04Å; E222-Y263 HydrophobicContact CG-CD1 4.44Å; E222-Y263 HydrophobicContact CG-CE1 3.53Å; E222-Y263 PolarHBondContact OE1-OH 3.38Å; Y263-Y367 CarbonylContact C-O 3.09Å; Y263-Y367 VanDerWaalsContact CA-O 3.26Å; Y263-Y367 WeakPolarHBondContact CA-O 3.29Å; Y263-Y367 WeakPolarHBondContact CB-O 2.98Å |
| 264 | V | 97.7 | Very high | 97 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125 | -179 | -167.4 | 0 | 0 | 0 | 0 | 108.7 | S138 F140 S366 Y367 L369 | S138-V264 CarbonylContact O-C 3.53Å; S138-V264 WeakPolarHBondContact O-CA 3.33Å; S138-V264 WeakPolarHBondContact OG-CG2 3.41Å; F140-V264 HydrophobicContact CB-CG1 3.71Å; F140-V264 HydrophobicContact CD2-CG1 4.34Å; F140-V264 VanDerWaalsContact N-CG1 3.33Å; V264-S366 WeakPolarHBondContact O-CA 3.39Å; V264-S366 VanDerWaalsContact O-CB 3.29Å; V264-S366 WeakPolarHBondContact O-CB 3.37Å; V264-Y367 HydrophobicContact CB-CD1 4.21Å; V264-Y367 HydrophobicContact CB-CD2 4.45Å; V264-Y367 HydrophobicContact CB-CE1 3.67Å; V264-Y367 HydrophobicContact CB-CE2 3.91Å; V264-Y367 VanDerWaalsContact CB-CZ 3.48Å; V264-Y367 HydrophobicContact CG1-CE1 4.03Å; V264-Y367 HydrophobicContact CG2-CD2 4.3Å; V264-Y367 HydrophobicContact CG2-CE1 4.19Å; V264-Y367 HydrophobicContact CG2-CE2 3.54Å; V264-Y367 VanDerWaalsContact CG2-CZ 3.47Å; V264-Y367 WeakPolarHBondContact CG2-OH 3.39Å; V264-Y367 PolarHBondContact N-O 3.23Å; V264-Y367 PolarHBondContact O-N 3.12Å; V264-L369 HydrophobicContact CG2-CD1 4.09Å; V264-L369 HydrophobicContact CG2-CD2 3.65Å; V264-L369 HydrophobicContact CG2-CG 3.9Å |
| 265 | N | 96.7 | Very high | 96.9 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.5 | 172 | -65.5 | -53.6 | 0 | 0 | 0 | 109.9 | S138 F140 N218 | S138-N265 PolarHBondContact O-N 2.67Å; F140-N265 WeakPolarHBondContact CB-O 3.16Å; F140-N265 PolarHBondContact N-O 2.7Å; N218-N265 PolarHBondContact ND2-OD1 3.47Å |
| 266 | I | 96.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -90.8 | 140.5 | 170.9 | -55.1 | -179.5 | 0 | 0 | 0 | 107.5 | F140 E268 A273 L274 A277 V284 A365 | F140-I266 HydrophobicContact CB-CG1 4.17Å; F140-I266 HydrophobicContact CG-CG1 4.5Å; I266-E268 PolarHBondContact O-N 3.22Å; I266-A273 HydrophobicContact CG2-CB 3.7Å; I266-L274 HydrophobicContact CD1-CB 4.48Å; I266-L274 HydrophobicContact CD1-CD1 3.75Å; I266-L274 HydrophobicContact CG2-CB 4.39Å; I266-A277 HydrophobicContact CD1-CB 3.42Å; I266-A277 VanDerWaalsContact CD1-CB 3.42Å; I266-A277 HydrophobicContact CG1-CB 4.32Å; I266-V284 HydrophobicContact CD1-CG1 3.89Å; I266-A365 HydrophobicContact CB-CB 4.02Å; I266-A365 HydrophobicContact CD1-CB 4.08Å; I266-A365 HydrophobicContact CG1-CB 4.37Å; I266-A365 PolarHBondContact N-O 3.44Å |
| 267 | H | 94.2 | Very high | 96.9 | Very high | 131 Ų | 131 | 43.1 Ų | 43.1 | 61% | 0.606 | 22% | 0.222 | S | C | * | . | P | Polyproline II helix | trans | -61.1 | 136.8 | -177.8 | -165.5 | 68.9 | 0 | 0 | 0 | 110.9 | G269 D270 | H267-G269 PolarHBondContact O-N 3.01Å; H267-D270 HydrophobicContact CB-CB 4.27Å; H267-D270 PolarHBondContact O-N 3.33Å; H267-D270 VanDerWaalsContact O-N 3.15Å |
| 268 | E | 94.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 39.6 Ų | 39.6 | 50% | 0.5 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 128.9 | -177.3 | 179.8 | -173.8 | 165.4 | 0 | 0 | 111.3 | I266 D270 L312 | I266-E268 PolarHBondContact O-N 3.22Å; E268-D270 PolarHBondContact O-N 2.85Å; E268-D270 VanDerWaalsContact O-N 3.13Å; E268-L312 HydrophobicContact CG-CD1 4.36Å; E268-L312 HydrophobicContact CG-CG 4.34Å; E268-L312 WeakPolarHBondContact OE1-CD1 3.24Å; E268-L312 WeakPolarHBondContact OE1-CG 3.23Å; E268-L312 VanDerWaalsContact OE2-CD1 3.26Å; E268-L312 WeakPolarHBondContact OE2-CD1 3.38Å |
| 269 | G | 94.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | H267 E271 A362 | H267-G269 PolarHBondContact O-N 3.01Å; G269-E271 VanDerWaalsContact C-N 3.33Å; G269-E271 PolarHBondContact O-N 2.78Å; G269-A362 PolarHBondContact N-O 3.31Å |
| 270 | D | 95.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 37.2 Ų | 37.2 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | trans | -79.8 | 80.9 | 177.9 | -169.2 | -14.5 | 0 | 0 | 0 | 110.8 | H267 E268 R272 A273 L274 | H267-D270 HydrophobicContact CB-CB 4.27Å; H267-D270 PolarHBondContact O-N 3.33Å; H267-D270 VanDerWaalsContact O-N 3.15Å; E268-D270 PolarHBondContact O-N 2.85Å; E268-D270 VanDerWaalsContact O-N 3.13Å; D270-R272 PolarHBondContact O-N 3.32Å; D270-R272 VanDerWaalsContact O-N 3.13Å; D270-R272 WeakPolarHBondContact OD1-CA 3.36Å; D270-R272 WeakPolarHBondContact OD1-CB 3.24Å; D270-R272 PolarHBondContact OD1-N 3.06Å; D270-A273 HydrophobicContact CB-CB 3.85Å; D270-A273 PolarHBondContact O-N 3.45Å; D270-A273 VanDerWaalsContact O-N 3.13Å; D270-A273 PolarHBondContact OD1-N 3.49Å; D270-A273 WeakPolarHBondContact OD2-CB 3.33Å; D270-L274 PolarHBondContact O-N 3.5Å | ||
| 271 | E | 97.3 | Very high | 96.8 | Very high | 31 Ų | 31 | 41 Ų | 41 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.9 | -28.4 | 175.5 | -72.1 | -163.8 | 82.8 | 0 | 0 | 112.4 | G269 M275 W333 G354 N357 A362 | G269-E271 VanDerWaalsContact C-N 3.33Å; G269-E271 PolarHBondContact O-N 2.78Å; E271-M275 WeakPolarHBondContact O-CB 3.36Å; E271-M275 PolarHBondContact O-N 2.95Å; E271-W333 HydrophobicContact CB-CZ2 4.11Å; E271-W333 HydrophobicContact CG-CZ2 4.43Å; E271-W333 WeakPolarHBondContact O-CH2 3Å; E271-W333 PolarHBondContact OE1-NE1 3.08Å; E271-G354 PolarHBondContact OE1-N 3.22Å; E271-G354 VanDerWaalsContact OE2-CA 3.25Å; E271-G354 WeakPolarHBondContact OE2-CA 3.4Å; E271-G354 PolarHBondContact OE2-N 3.1Å; E271-N357 HydrophobicContact CG-CB 4.41Å; E271-N357 PolarHBondContact OE2-N 3.25Å; E271-A362 HydrophobicContact CB-CB 4.48Å; E271-A362 HydrophobicContact CG-CB 3.87Å |
| 272 | R | 95.7 | Very high | 96.8 | Very high | 146 Ų | 146 | 36.4 Ų | 36.4 | 55% | 0.551 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -77.1 | -38 | 179.4 | -171.3 | 174.7 | -179.2 | 155.3 | -1.2 | 111.5 | D270 M275 D276 | D270-R272 PolarHBondContact O-N 3.32Å; D270-R272 VanDerWaalsContact O-N 3.13Å; D270-R272 WeakPolarHBondContact OD1-CA 3.36Å; D270-R272 WeakPolarHBondContact OD1-CB 3.24Å; D270-R272 PolarHBondContact OD1-N 3.06Å; R272-M275 PolarHBondContact O-N 3.08Å; R272-D276 PolarHBondContact O-N 3.3Å |
| 273 | A | 96.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | F140 I266 D270 M275 D276 A277 | F140-A273 HydrophobicContact CD1-CB 4.01Å; F140-A273 HydrophobicContact CE1-CB 4.23Å; I266-A273 HydrophobicContact CG2-CB 3.7Å; D270-A273 HydrophobicContact CB-CB 3.85Å; D270-A273 PolarHBondContact O-N 3.45Å; D270-A273 VanDerWaalsContact O-N 3.13Å; D270-A273 PolarHBondContact OD1-N 3.49Å; D270-A273 WeakPolarHBondContact OD2-CB 3.33Å; A273-M275 VanDerWaalsContact C-N 3.32Å; A273-M275 PolarHBondContact O-N 2.79Å; A273-D276 PolarHBondContact O-N 3.47Å; A273-A277 WeakPolarHBondContact O-CB 3.18Å; A273-A277 PolarHBondContact O-N 3.45Å |
| 274 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 171.3 | 178.6 | 59.5 | 0 | 0 | 0 | 111.5 | I266 D270 D276 A277 V278 V284 V286 W333 V361 A362 A365 | I266-L274 HydrophobicContact CD1-CB 4.48Å; I266-L274 HydrophobicContact CD1-CD1 3.75Å; I266-L274 HydrophobicContact CG2-CB 4.39Å; D270-L274 PolarHBondContact O-N 3.5Å; L274-D276 VanDerWaalsContact C-N 3.34Å; L274-D276 PolarHBondContact O-N 2.96Å; L274-A277 PolarHBondContact O-N 3.43Å; L274-V278 HydrophobicContact CD1-CG2 3.94Å; L274-V278 HydrophobicContact CG-CG2 4.36Å; L274-V278 WeakPolarHBondContact O-CB 3.29Å; L274-V278 VanDerWaalsContact O-CG2 3.27Å; L274-V278 WeakPolarHBondContact O-CG2 3.48Å; L274-V278 PolarHBondContact O-N 3.33Å; L274-V284 HydrophobicContact CD1-CB 4.13Å; L274-V284 HydrophobicContact CD1-CG1 3.79Å; L274-V284 HydrophobicContact CD1-CG2 4.43Å; L274-V286 HydrophobicContact CD1-CG1 4.25Å; L274-V286 HydrophobicContact CD2-CG1 4.42Å; L274-W333 HydrophobicContact CB-CH2 3.99Å; L274-W333 HydrophobicContact CB-CZ2 4.34Å; L274-W333 HydrophobicContact CD2-CD2 4.46Å; L274-W333 HydrophobicContact CD2-CE3 4.49Å; L274-W333 HydrophobicContact CD2-CH2 3.87Å; L274-W333 HydrophobicContact CD2-CZ2 3.82Å; L274-W333 HydrophobicContact CD2-CZ3 4.21Å; L274-W333 HydrophobicContact CG-CH2 3.68Å; L274-W333 HydrophobicContact CG-CZ2 4.12Å; L274-W333 HydrophobicContact CG-CZ3 3.99Å; L274-V361 HydrophobicContact CD2-CG1 3.77Å; L274-A362 HydrophobicContact CB-CB 4.37Å; L274-A362 HydrophobicContact CD2-CB 3.98Å; L274-A365 HydrophobicContact CD1-CB 3.99Å |
| 275 | M | 97.5 | Very high | 97 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 179.4 | -169.9 | -176.5 | 159.4 | 0 | 0 | 111.5 | L148 E271 R272 A273 A279 Y324 W333 | L148-M275 HydrophobicContact CB-CE 3.96Å; L148-M275 HydrophobicContact CD1-CB 4.23Å; L148-M275 HydrophobicContact CD1-CE 4.16Å; L148-M275 HydrophobicContact CD1-CG 3.95Å; L148-M275 HydrophobicContact CD1-SD 4.18Å; E271-M275 WeakPolarHBondContact O-CB 3.36Å; E271-M275 PolarHBondContact O-N 2.95Å; R272-M275 PolarHBondContact O-N 3.08Å; A273-M275 VanDerWaalsContact C-N 3.32Å; A273-M275 PolarHBondContact O-N 2.79Å; M275-A279 WeakPolarHBondContact O-CB 3.42Å; M275-A279 PolarHBondContact O-N 3.42Å; M275-Y324 HydrophobicContact CB-CE1 4.49Å; M275-Y324 HydrophobicContact CE-CD2 4.13Å; M275-Y324 HydrophobicContact CE-CE2 3.42Å; M275-Y324 VanDerWaalsContact CE-CE2 3.42Å; M275-Y324 HydrophobicContact CG-CD1 3.94Å; M275-Y324 HydrophobicContact CG-CD2 4.36Å; M275-Y324 HydrophobicContact CG-CE1 3.53Å; M275-Y324 HydrophobicContact CG-CE2 4.02Å; M275-Y324 HydrophobicContact CG-CG 4.32Å; M275-Y324 WeakPolarHBondContact O-CE1 3.15Å; M275-Y324 HydrophobicContact SD-CE2 4.39Å; M275-W333 HydrophobicContact CB-CH2 3.74Å; M275-W333 HydrophobicContact CB-CZ3 4.32Å; M275-W333 HydrophobicContact CG-CH2 4.43Å |
| 276 | D | 97.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -52.9 | 174.5 | -171.5 | -28.7 | 0 | 0 | 0 | 110.6 | F140 R142 L148 R272 A273 L274 V278 A279 T280 | F140-D276 HydrophobicContact CE1-CB 4.04Å; F140-D276 HydrophobicContact CZ-CB 3.99Å; R142-D276 HydrophobicContact CG-CB 4.08Å; R142-D276 WeakPolarHBondContact CG-OD2 3.38Å; L148-D276 HydrophobicContact CD1-CB 4.04Å; L148-D276 HydrophobicContact CD2-CB 4.13Å; R272-D276 PolarHBondContact O-N 3.3Å; A273-D276 PolarHBondContact O-N 3.47Å; L274-D276 VanDerWaalsContact C-N 3.34Å; L274-D276 PolarHBondContact O-N 2.96Å; D276-V278 VanDerWaalsContact C-N 3.32Å; D276-V278 PolarHBondContact O-N 3.12Å; D276-A279 WeakPolarHBondContact O-CB 3.38Å; D276-A279 PolarHBondContact O-N 3.32Å; D276-T280 PolarHBondContact O-N 3.01Å; D276-T280 PolarHBondContact O-OG1 3.29Å; D276-T280 WeakPolarHBondContact OD1-CG2 3.42Å; D276-T280 PolarHBondContact OD1-OG1 2.56Å |
| 277 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | F140 I266 A273 L274 A279 T280 K281 G282 V284 Y367 | F140-A277 HydrophobicContact CD2-CB 4.28Å; F140-A277 HydrophobicContact CE1-CB 4.48Å; F140-A277 HydrophobicContact CE2-CB 3.94Å; F140-A277 HydrophobicContact CZ-CB 4.04Å; I266-A277 HydrophobicContact CD1-CB 3.42Å; I266-A277 VanDerWaalsContact CD1-CB 3.42Å; I266-A277 HydrophobicContact CG1-CB 4.32Å; A273-A277 WeakPolarHBondContact O-CB 3.18Å; A273-A277 PolarHBondContact O-N 3.45Å; L274-A277 PolarHBondContact O-N 3.43Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 3.42Å; A277-T280 PolarHBondContact O-N 3.49Å; A277-K281 WeakPolarHBondContact O-CA 3.03Å; A277-K281 WeakPolarHBondContact O-CB 3.16Å; A277-K281 PolarHBondContact O-N 2.93Å; A277-G282 PolarHBondContact O-N 2.98Å; A277-V284 HydrophobicContact CB-CG2 4.27Å; A277-Y367 HydrophobicContact CB-CD1 4.42Å; A277-Y367 HydrophobicContact CB-CE1 4.13Å |
| 278 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | V152 W154 L274 D276 G282 V284 V321 Y324 W333 | V152-V278 HydrophobicContact CG1-CG1 4.27Å; W154-V278 PolarHBondContact NE1-O 2.82Å; L274-V278 HydrophobicContact CD1-CG2 3.94Å; L274-V278 HydrophobicContact CG-CG2 4.36Å; L274-V278 WeakPolarHBondContact O-CB 3.29Å; L274-V278 VanDerWaalsContact O-CG2 3.27Å; L274-V278 WeakPolarHBondContact O-CG2 3.48Å; L274-V278 PolarHBondContact O-N 3.33Å; D276-V278 VanDerWaalsContact C-N 3.32Å; D276-V278 PolarHBondContact O-N 3.12Å; V278-G282 WeakPolarHBondContact CA-O 3.19Å; V278-V284 HydrophobicContact CG2-CB 4.18Å; V278-V284 HydrophobicContact CG2-CG2 3.75Å; V278-V321 HydrophobicContact CG1-CG1 4.33Å; V278-V321 HydrophobicContact CG2-CB 4.21Å; V278-V321 HydrophobicContact CG2-CG1 3.6Å; V278-Y324 HydrophobicContact CB-CD1 4.26Å; V278-Y324 HydrophobicContact CB-CE1 4.23Å; V278-Y324 HydrophobicContact CG1-CD1 3.87Å; V278-Y324 HydrophobicContact CG1-CE1 4.04Å; V278-W333 HydrophobicContact CG2-CZ3 4.48Å |
| 279 | A | 97.7 | Very high | 97.6 | Very high | 17 Ų | 17 | 22.6 Ų | 22.6 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.5 | -43.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L148 P149 V152 M275 D276 A277 Y324 | L148-A279 HydrophobicContact CD2-CB 3.95Å; P149-A279 HydrophobicContact CG-CB 4.26Å; V152-A279 HydrophobicContact CG2-CB 4.19Å; M275-A279 WeakPolarHBondContact O-CB 3.42Å; M275-A279 PolarHBondContact O-N 3.42Å; D276-A279 WeakPolarHBondContact O-CB 3.38Å; D276-A279 PolarHBondContact O-N 3.32Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 3.42Å; A279-Y324 HydrophobicContact CB-CE1 4.21Å; A279-Y324 VanDerWaalsContact CB-OH 3.31Å; A279-Y324 WeakPolarHBondContact CB-OH 3.28Å |
| 280 | T | 96.1 | Very high | 97.7 | Very high | 44 Ų | 44 | 21 Ų | 21 | 27% | 0.27 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -96.3 | -28.5 | -168 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | T146 L148 R187 D276 A277 | T146-T280 HydrophobicContact CG2-CG2 4.32Å; L148-T280 HydrophobicContact CD2-CG2 4.31Å; R187-T280 PolarHBondContact NH1-O 3.44Å; R187-T280 PolarHBondContact NH2-O 2.84Å; D276-T280 PolarHBondContact O-N 3.01Å; D276-T280 PolarHBondContact O-OG1 3.29Å; D276-T280 WeakPolarHBondContact OD1-CG2 3.42Å; D276-T280 PolarHBondContact OD1-OG1 2.56Å; A277-T280 PolarHBondContact O-N 3.49Å |
| 281 | K | 97.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 19.2 Ų | 19.2 | 37% | 0.365 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -34.5 | -173 | -49.9 | -58.3 | 177.4 | -175.2 | 0 | 114.4 | F140 Q184 R187 A277 Y367 | F140-K281 HydrophobicContact CE2-CG 4.33Å; Q184-K281 PolarHBondContact NE2-O 3.05Å; Q184-K281 PolarHBondContact OE1-O 3.25Å; R187-K281 PolarHBondContact NH1-O 3.25Å; R187-K281 VanDerWaalsContact NH1-O 3.14Å; A277-K281 WeakPolarHBondContact O-CA 3.03Å; A277-K281 WeakPolarHBondContact O-CB 3.16Å; A277-K281 PolarHBondContact O-N 2.93Å; K281-Y367 HydrophobicContact CB-CD2 4.49Å; K281-Y367 HydrophobicContact CB-CE1 4.44Å; K281-Y367 HydrophobicContact CB-CE2 4.17Å; K281-Y367 HydrophobicContact CG-CE1 4.18Å; K281-Y367 HydrophobicContact CG-CE2 4.19Å |
| 282 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | 131.6 | -166.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A277 V278 | A277-G282 PolarHBondContact O-N 2.98Å; V278-G282 WeakPolarHBondContact CA-O 3.19Å | ||
| 283 | P | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -54.6 | 142.9 | 169.6 | -25.4 | 35.5 | 0 | 0 | 0 | 112.7 | W154 V160 L320 V321 V322 | W154-P283 HydrophobicContact CB-CG 3.92Å; W154-P283 HydrophobicContact CG-CG 3.92Å; V160-P283 HydrophobicContact CG2-CG 4.18Å; P283-L320 HydrophobicContact CB-CD1 3.85Å; P283-L320 HydrophobicContact CB-CD2 3.98Å; P283-L320 HydrophobicContact CB-CG 3.99Å; P283-V321 VanDerWaalsContact CA-O 3.27Å; P283-V321 WeakPolarHBondContact CA-O 3.35Å; P283-V322 HydrophobicContact CB-CG1 4.44Å | ||
| 284 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.8 | -174.9 | 179 | 0 | 0 | 0 | 0 | 109.9 | I266 L274 A277 V278 V286 V321 A365 S366 Y367 | I266-V284 HydrophobicContact CD1-CG1 3.89Å; L274-V284 HydrophobicContact CD1-CB 4.13Å; L274-V284 HydrophobicContact CD1-CG1 3.79Å; L274-V284 HydrophobicContact CD1-CG2 4.43Å; A277-V284 HydrophobicContact CB-CG2 4.27Å; V278-V284 HydrophobicContact CG2-CB 4.18Å; V278-V284 HydrophobicContact CG2-CG2 3.75Å; V284-V286 HydrophobicContact CG1-CG1 4.27Å; V284-V321 PolarHBondContact N-O 2.9Å; V284-V321 PolarHBondContact O-N 3.48Å; V284-A365 HydrophobicContact CG1-CB 4.23Å; V284-S366 WeakPolarHBondContact CG1-O 3.43Å; V284-Y367 HydrophobicContact CG2-CD1 4.41Å |
| 285 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 133.1 | 171.9 | -64.7 | 0 | 0 | 0 | 0 | 110 | S176 A180 A365 S366 | S176-S285 PolarHBondContact O-OG 3.12Å; S176-S285 WeakPolarHBondContact OG-CA 3.45Å; S176-S285 WeakPolarHBondContact OG-CB 3.47Å; S176-S285 PolarHBondContact OG-OG 3.47Å; A180-S285 WeakPolarHBondContact CB-OG 3.45Å; S285-A365 WeakPolarHBondContact O-CA 3.09Å; S285-S366 WeakPolarHBondContact CB-O 3.46Å; S285-S366 PolarHBondContact N-O 2.91Å; S285-S366 PolarHBondContact O-N 3.18Å |
| 286 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 157 | 174.3 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | M217 L274 V284 I288 V319 V321 V361 A364 A365 | M217-V286 VanDerWaalsContact CE-C 3.43Å; M217-V286 WeakPolarHBondContact CE-O 3.43Å; L274-V286 HydrophobicContact CD1-CG1 4.25Å; L274-V286 HydrophobicContact CD2-CG1 4.42Å; V284-V286 HydrophobicContact CG1-CG1 4.27Å; V286-I288 HydrophobicContact CG2-CG2 4.24Å; V286-V319 HydrophobicContact CG2-CG2 3.47Å; V286-V319 VanDerWaalsContact CG2-CG2 3.47Å; V286-V319 PolarHBondContact N-O 2.97Å; V286-V319 PolarHBondContact O-N 3.41Å; V286-V319 VanDerWaalsContact O-O 3.08Å; V286-V321 HydrophobicContact CB-CG2 4.31Å; V286-V321 HydrophobicContact CG1-CB 4.5Å; V286-V321 HydrophobicContact CG1-CG2 3.57Å; V286-V321 HydrophobicContact CG2-CG2 3.69Å; V286-V361 WeakPolarHBondContact CB-O 3.2Å; V286-V361 WeakPolarHBondContact CG1-O 3.26Å; V286-A364 WeakPolarHBondContact CA-O 3.42Å; V286-A365 HydrophobicContact CG1-CB 3.69Å |
| 287 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 145.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y126 M217 L315 H317 G360 A364 | Y126-A287 HydrophobicContact CD1-CB 3.71Å; Y126-A287 HydrophobicContact CD2-CB 3.51Å; Y126-A287 HydrophobicContact CE1-CB 3.66Å; Y126-A287 HydrophobicContact CE2-CB 3.45Å; Y126-A287 VanDerWaalsContact CE2-CB 3.45Å; Y126-A287 HydrophobicContact CG-CB 3.62Å; M217-A287 HydrophobicContact CE-CB 4.35Å; A287-L315 HydrophobicContact CB-CB 4.06Å; A287-L315 HydrophobicContact CB-CD1 4Å; A287-H317 CarbonylContact C-O 3.48Å; A287-H317 VanDerWaalsContact CA-O 3.25Å; A287-H317 WeakPolarHBondContact CA-O 3.37Å; A287-G360 VanDerWaalsContact O-O 3.13Å; A287-A364 HydrophobicContact CB-CB 4.09Å; A287-A364 PolarHBondContact N-O 3.47Å; A287-A364 VanDerWaalsContact N-O 3.11Å |
| 288 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 159.8 | 177.1 | 58.9 | 169.3 | 0 | 0 | 0 | 110.4 | V286 A290 F295 D316 H317 V319 I351 C359 V361 | V286-I288 HydrophobicContact CG2-CG2 4.24Å; I288-A290 PolarHBondContact O-N 2.85Å; I288-F295 HydrophobicContact CD1-CE1 4.49Å; I288-F295 HydrophobicContact CD1-CE2 3.46Å; I288-F295 VanDerWaalsContact CD1-CE2 3.46Å; I288-F295 HydrophobicContact CD1-CZ 3.44Å; I288-F295 VanDerWaalsContact CD1-CZ 3.44Å; I288-D316 PolarHBondContact O-N 3.45Å; I288-H317 HydrophobicContact CG1-CB 4.21Å; I288-H317 PolarHBondContact N-O 3.34Å; I288-H317 PolarHBondContact O-N 3.44Å; I288-V319 HydrophobicContact CD1-CG1 3.98Å; I288-V319 HydrophobicContact CD1-CG2 3.93Å; I288-V319 HydrophobicContact CG1-CG1 4.25Å; I288-V319 HydrophobicContact CG1-CG2 3.95Å; I288-V319 HydrophobicContact CG2-CG2 4.02Å; I288-I351 HydrophobicContact CD1-CD1 4.18Å; I288-C359 CarbonylContact C-O 3.57Å; I288-C359 VanDerWaalsContact CA-O 3.23Å; I288-C359 WeakPolarHBondContact CA-O 3.48Å; I288-C359 HydrophobicContact CB-CB 4.36Å; I288-V361 HydrophobicContact CG2-CB 4.41Å; I288-V361 HydrophobicContact CG2-CG2 3.75Å |
| 289 | N | 98 | Very high | 97.8 | Very high | 16 Ų | 16 | 17 Ų | 17 | 9% | 0.086 | 10% | 0.095 | C | C | . | . | trans | -75.7 | 109.8 | 160 | 178.8 | -2.5 | 0 | 0 | 0 | 108.9 | G291 C308 E309 A314 C359 | N289-G291 PolarHBondContact OD1-N 3.25Å; N289-C308 PolarHBondContact O-SG 2.7Å; N289-C308 VanDerWaalsContact O-SG 3.36Å; N289-E309 WeakPolarHBondContact CB-O 3.41Å; N289-E309 PolarHBondContact ND2-N 2.65Å; N289-E309 PolarHBondContact ND2-O 3.14Å; N289-A314 HydrophobicContact CB-CB 4.31Å; N289-A314 WeakPolarHBondContact CB-O 3.41Å; N289-C359 PolarHBondContact N-O 3.38Å | ||
| 290 | A | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 10% | 0.101 | C | C | . | . | trans | -109.3 | 15.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R124 I288 L292 F295 D316 H317 W339 | R124-A290 WeakPolarHBondContact CD-O 3.21Å; R124-A290 HydrophobicContact CG-CB 4.27Å; I288-A290 PolarHBondContact O-N 2.85Å; A290-L292 PolarHBondContact O-N 2.89Å; A290-F295 HydrophobicContact CB-CD1 3.54Å; A290-F295 HydrophobicContact CB-CD2 4.48Å; A290-F295 HydrophobicContact CB-CE1 3.54Å; A290-F295 HydrophobicContact CB-CE2 4.46Å; A290-F295 HydrophobicContact CB-CG 4.05Å; A290-F295 HydrophobicContact CB-CZ 4.03Å; A290-D316 PolarHBondContact N-OD1 2.77Å; A290-H317 HydrophobicContact CB-CB 3.46Å; A290-H317 VanDerWaalsContact CB-CB 3.46Å; A290-W339 HydrophobicContact CB-CH2 4.34Å | ||
| 291 | G | 96.7 | Very high | 98 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 16% | 0.155 | 10% | 0.097 | C | C | . | . | trans | -84.4 | -3.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117 | N289 | N289-G291 PolarHBondContact OD1-N 3.25Š| ||
| 292 | L | 96.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 13.2 Ų | 13.2 | 19% | 0.188 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -82.7 | 142.2 | 176.2 | -60.4 | -178.8 | 0 | 0 | 0 | 111.4 | A290 S294 F295 S296 D305 D307 C308 | A290-L292 PolarHBondContact O-N 2.89Å; L292-S294 VanDerWaalsContact CB-OG 3.28Å; L292-S294 WeakPolarHBondContact CB-OG 3.48Å; L292-S294 PolarHBondContact O-N 3.47Å; L292-S294 VanDerWaalsContact O-N 3.15Å; L292-F295 WeakPolarHBondContact O-CB 3.34Å; L292-F295 PolarHBondContact O-N 3.02Å; L292-S296 PolarHBondContact O-N 2.97Å; L292-D305 HydrophobicContact CD1-CB 4.19Å; L292-D307 HydrophobicContact CD1-CB 4.02Å; L292-D307 HydrophobicContact CD2-CB 4.42Å; L292-C308 HydrophobicContact CD1-CB 3.74Å |
| 293 | P | 94.5 | Very high | 98.1 | Very high | 49 Ų | 49 | 13.2 Ų | 13.2 | 32% | 0.318 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -55.4 | -30.3 | 169.7 | -25.7 | 34.5 | 0 | 0 | 0 | 113 | F295 S296 M297 | P293-F295 VanDerWaalsContact C-N 3.28Å; P293-F295 PolarHBondContact O-N 3.31Å; P293-S296 PolarHBondContact O-N 2.66Å; P293-S296 PolarHBondContact O-OG 3.35Å; P293-S296 VanDerWaalsContact O-OG 3.1Å; P293-M297 HydrophobicContact CB-CE 3.9Å; P293-M297 WeakPolarHBondContact O-CB 3.4Å; P293-M297 WeakPolarHBondContact O-CE 3.24Å; P293-M297 WeakPolarHBondContact O-CG 3.23Å; P293-M297 PolarHBondContact O-N 2.85Å |
| 294 | S | 97.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 175.7 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | Y105 L292 Y298 Y303 D305 | Y105-S294 VanDerWaalsContact OH-CB 3.23Å; Y105-S294 WeakPolarHBondContact OH-CB 3.4Å; L292-S294 VanDerWaalsContact CB-OG 3.28Å; L292-S294 WeakPolarHBondContact CB-OG 3.48Å; L292-S294 PolarHBondContact O-N 3.47Å; L292-S294 VanDerWaalsContact O-N 3.15Å; S294-Y298 PolarHBondContact O-N 3.41Å; S294-Y298 VanDerWaalsContact O-N 3.16Å; S294-Y303 PolarHBondContact OG-OH 3.33Å; S294-D305 WeakPolarHBondContact CB-OD2 3.42Å; S294-D305 PolarHBondContact OG-OD2 2.9Å |
| 295 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.1 | -49.7 | 175.5 | -171.9 | -83 | 0 | 0 | 0 | 110.5 | I288 A290 L292 P293 M297 Y298 Y303 W339 W343 I349 I351 | I288-F295 HydrophobicContact CD1-CE1 4.49Å; I288-F295 HydrophobicContact CD1-CE2 3.46Å; I288-F295 VanDerWaalsContact CD1-CE2 3.46Å; I288-F295 HydrophobicContact CD1-CZ 3.44Å; I288-F295 VanDerWaalsContact CD1-CZ 3.44Å; A290-F295 HydrophobicContact CB-CD1 3.54Å; A290-F295 HydrophobicContact CB-CD2 4.48Å; A290-F295 HydrophobicContact CB-CE1 3.54Å; A290-F295 HydrophobicContact CB-CE2 4.46Å; A290-F295 HydrophobicContact CB-CG 4.05Å; A290-F295 HydrophobicContact CB-CZ 4.03Å; L292-F295 WeakPolarHBondContact O-CB 3.34Å; L292-F295 PolarHBondContact O-N 3.02Å; P293-F295 VanDerWaalsContact C-N 3.28Å; P293-F295 PolarHBondContact O-N 3.31Å; F295-M297 PolarHBondContact O-N 3.01Å; F295-Y298 VanDerWaalsContact O-CB 3.27Å; F295-Y298 WeakPolarHBondContact O-CB 3.46Å; F295-Y298 PolarHBondContact O-N 2.86Å; F295-Y298 VanDerWaalsContact O-N 3.08Å; F295-Y303 HydrophobicContact CB-CE2 4.37Å; F295-Y303 HydrophobicContact CD2-CE1 4.36Å; F295-W339 AromaticContact CD1-CH2 3.82Å; F295-W339 HydrophobicContact CD1-CH2 3.82Å; F295-W339 AromaticContact CD1-CZ3 3.76Å; F295-W339 HydrophobicContact CD1-CZ3 3.76Å; F295-W339 AromaticContact CE1-CH2 3.72Å; F295-W339 HydrophobicContact CE1-CH2 3.72Å; F295-W339 AromaticContact CE1-CZ3 3.65Å; F295-W339 HydrophobicContact CE1-CZ3 3.65Å; F295-W343 AromaticContact CD1-CZ2 3.97Å; F295-W343 HydrophobicContact CD1-CZ2 3.97Å; F295-W343 AromaticContact CE1-CH2 3.91Å; F295-W343 HydrophobicContact CE1-CH2 3.91Å; F295-W343 AromaticContact CE1-CZ2 3.55Å; F295-W343 HydrophobicContact CE1-CZ2 3.55Å; F295-W343 AromaticContact CZ-CH2 3.81Å; F295-W343 HydrophobicContact CZ-CH2 3.81Å; F295-W343 AromaticContact CZ-CZ2 3.91Å; F295-W343 HydrophobicContact CZ-CZ2 3.91Å; F295-W343 WeakPolarHBondContact O-CZ2 3.14Å; F295-W343 PolarHBondContact O-NE1 3.28Å; F295-I349 HydrophobicContact CD2-CD1 4.03Å; F295-I349 HydrophobicContact CE2-CD1 3.64Å; F295-I349 HydrophobicContact CZ-CD1 4.27Å; F295-I351 HydrophobicContact CE2-CD1 4.22Å |
| 296 | S | 97.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 22 Ų | 22 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -31.2 | -179.2 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | N110 L292 P293 W343 | N110-S296 PolarHBondContact ND2-O 3.39Å; L292-S296 PolarHBondContact O-N 2.97Å; P293-S296 PolarHBondContact O-N 2.66Å; P293-S296 PolarHBondContact O-OG 3.35Å; P293-S296 VanDerWaalsContact O-OG 3.1Å; S296-W343 PolarHBondContact O-NE1 2.87Å |
| 297 | M | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 4.1 | 176.4 | -62.4 | -172.9 | -71.5 | 0 | 0 | 114.5 | N87 K90 M91 M107 G108 P293 F295 K299 | N87-M297 HydrophobicContact CB-SD 3.71Å; K90-M297 HydrophobicContact CB-CE 4.29Å; M91-M297 HydrophobicContact CE-SD 4.06Å; M107-M297 CarbonylContact C-O 3.6Å; M107-M297 WeakPolarHBondContact CA-O 3.3Å; M107-M297 HydrophobicContact CB-CB 4.14Å; M107-M297 HydrophobicContact CG-CB 4.19Å; M107-M297 HydrophobicContact SD-CB 4.17Å; M107-M297 HydrophobicContact SD-CE 3.81Å; G108-M297 PolarHBondContact N-O 3.45Å; P293-M297 HydrophobicContact CB-CE 3.9Å; P293-M297 WeakPolarHBondContact O-CB 3.4Å; P293-M297 WeakPolarHBondContact O-CE 3.24Å; P293-M297 WeakPolarHBondContact O-CG 3.23Å; P293-M297 PolarHBondContact O-N 2.85Å; F295-M297 PolarHBondContact O-N 3.01Å; M297-K299 PolarHBondContact O-N 3.36Å |
| 298 | Y | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 136 | 179.1 | 170.6 | -93.4 | 0 | 0 | 0 | 111.8 | Y105 S294 F295 G301 Y303 W343 G344 E345 I349 | Y105-Y298 AromaticContact CD2-CD2 3.97Å; Y105-Y298 HydrophobicContact CD2-CD2 3.97Å; Y105-Y298 HydrophobicContact CG-CD2 4.42Å; S294-Y298 PolarHBondContact O-N 3.41Å; S294-Y298 VanDerWaalsContact O-N 3.16Å; F295-Y298 VanDerWaalsContact O-CB 3.27Å; F295-Y298 WeakPolarHBondContact O-CB 3.46Å; F295-Y298 PolarHBondContact O-N 2.86Å; F295-Y298 VanDerWaalsContact O-N 3.08Å; Y298-G301 PolarHBondContact OH-N 3.22Å; Y298-G301 PolarHBondContact OH-O 3.11Å; Y298-Y303 AromaticContact CD2-CD2 3.97Å; Y298-Y303 HydrophobicContact CD2-CD2 3.97Å; Y298-W343 HydrophobicContact CD1-CH2 4.17Å; Y298-W343 HydrophobicContact CD1-CZ2 4.21Å; Y298-G344 WeakPolarHBondContact O-CA 3.21Å; Y298-G344 PolarHBondContact O-N 2.91Å; Y298-E345 HydrophobicContact CE1-CG 4.5Å; Y298-E345 PolarHBondContact OH-OE2 3.13Å; Y298-E345 VanDerWaalsContact OH-OE2 3.13Å; Y298-I349 HydrophobicContact CD1-CB 4.07Å; Y298-I349 HydrophobicContact CD1-CD1 3.9Å; Y298-I349 HydrophobicContact CD1-CG1 3.84Å; Y298-I349 HydrophobicContact CD2-CD1 4.01Å; Y298-I349 HydrophobicContact CD2-CG1 4.16Å; Y298-I349 HydrophobicContact CE1-CB 3.79Å; Y298-I349 HydrophobicContact CE1-CD1 4.24Å; Y298-I349 HydrophobicContact CE1-CG1 3.66Å; Y298-I349 HydrophobicContact CE2-CD1 4.3Å; Y298-I349 HydrophobicContact CE2-CG1 3.94Å; Y298-I349 HydrophobicContact CG-CD1 3.79Å; Y298-I349 HydrophobicContact CG-CG1 4.1Å |
| 299 | K | 98.5 | Very high | 97.6 | Very high | 77 Ų | 77 | 33.1 Ų | 33.1 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | -44.2 | 177.1 | -172.3 | 58.5 | 176.5 | 176.5 | 0 | 114.6 | K106 M297 E342 G344 E345 | K106-K299 PolarHBondContact O-N 3.2Å; M297-K299 PolarHBondContact O-N 3.36Å; K299-E342 PolarHBondContact NZ-O 2.76Å; K299-G344 CarbonylContact O-C 3.46Å; K299-G344 VanDerWaalsContact O-O 3.13Å; K299-E345 PolarHBondContact O-N 3.02Å |
| 300 | S | 98.5 | Very high | 97.4 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 162 | -176.8 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | Y105 K106 E345 | Y105-S300 CarbonylContact C-O 3.6Å; Y105-S300 WeakPolarHBondContact CA-O 3.37Å; Y105-S300 VanDerWaalsContact CB-O 3.29Å; Y105-S300 WeakPolarHBondContact CB-O 3.32Å; K106-S300 PolarHBondContact N-O 3.11Å; K106-S300 PolarHBondContact O-N 2.72Å; S300-E345 WeakPolarHBondContact CA-OE2 3.36Å |
| 301 | G | 98.5 | Very high | 97.1 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 96.7 | -168 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y298 E345 | Y298-G301 PolarHBondContact OH-N 3.22Å; Y298-G301 PolarHBondContact OH-O 3.11Å; G301-E345 PolarHBondContact N-OE2 2.76Å |
| 302 | I | 98.7 | Very high | 97 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.4 | 178.8 | -60.2 | 171.7 | 0 | 0 | 0 | 108 | T104 S304 E327 R330 Y332 K350 | T104-I302 CarbonylContact C-O 3.54Å; T104-I302 WeakPolarHBondContact CB-O 3.35Å; T104-I302 PolarHBondContact O-N 3.16Å; T104-I302 PolarHBondContact OG1-O 2.92Å; I302-S304 PolarHBondContact O-N 3.01Å; I302-E327 HydrophobicContact CD1-CB 4.29Å; I302-R330 HydrophobicContact CD1-CB 3.58Å; I302-Y332 HydrophobicContact CD1-CD1 4.03Å; I302-Y332 HydrophobicContact CG1-CD1 4.36Å; I302-K350 HydrophobicContact CG1-CB 4.26Å; I302-K350 HydrophobicContact CG1-CD 4.38Å |
| 303 | Y | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 122.3 | 176.1 | -174.2 | -92.8 | 0 | 0 | 0 | 110.4 | Y105 S294 F295 Y298 D305 C308 I349 K350 I351 S352 C359 | Y105-Y303 HydrophobicContact CD1-CD2 4.31Å; Y105-Y303 AromaticContact CD2-CD2 3.93Å; Y105-Y303 HydrophobicContact CD2-CD2 3.93Å; Y105-Y303 HydrophobicContact CD2-CE2 4.5Å; Y105-Y303 HydrophobicContact CE1-CD2 4.14Å; Y105-Y303 HydrophobicContact CE1-CE2 4.41Å; Y105-Y303 AromaticContact CE2-CD2 3.72Å; Y105-Y303 HydrophobicContact CE2-CD2 3.72Å; Y105-Y303 AromaticContact CE2-CE2 3.85Å; Y105-Y303 HydrophobicContact CE2-CE2 3.85Å; Y105-Y303 HydrophobicContact CG-CD2 4.22Å; Y105-Y303 AromaticContact CZ-CD2 3.84Å; Y105-Y303 AromaticContact CZ-CE2 3.8Å; S294-Y303 PolarHBondContact OG-OH 3.33Å; F295-Y303 HydrophobicContact CB-CE2 4.37Å; F295-Y303 HydrophobicContact CD2-CE1 4.36Å; Y298-Y303 AromaticContact CD2-CD2 3.97Å; Y298-Y303 HydrophobicContact CD2-CD2 3.97Å; Y303-D305 HydrophobicContact CE1-CB 3.88Å; Y303-D305 HydrophobicContact CE2-CB 4.2Å; Y303-D305 WeakPolarHBondContact OH-CB 3.49Å; Y303-C308 HydrophobicContact CE1-CB 4.17Å; Y303-I349 HydrophobicContact CD2-CD1 4.3Å; Y303-I349 HydrophobicContact CG-CD1 3.96Å; Y303-K350 WeakPolarHBondContact CB-O 3.12Å; Y303-K350 PolarHBondContact N-O 3.15Å; Y303-I351 HydrophobicContact CD1-CG1 4.46Å; Y303-S352 PolarHBondContact O-N 3.35Å; Y303-C359 WeakPolarHBondContact CE1-SG 3.24Å |
| 304 | S | 98 | Very high | 96.8 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | trans | -151.6 | 68.3 | -176.8 | 67.8 | 0 | 0 | 0 | 0 | 109.6 | T104 I302 | T104-S304 PolarHBondContact OG1-OG 3.35Å; I302-S304 PolarHBondContact O-N 3.01Å | ||
| 305 | D | 97.7 | Very high | 96.8 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | trans | -92 | 118 | 175.7 | -167.1 | -28.5 | 0 | 0 | 0 | 109.4 | L292 S294 Y303 D307 C308 | L292-D305 HydrophobicContact CD1-CB 4.19Å; S294-D305 WeakPolarHBondContact CB-OD2 3.42Å; S294-D305 PolarHBondContact OG-OD2 2.9Å; Y303-D305 HydrophobicContact CE1-CB 3.88Å; Y303-D305 HydrophobicContact CE2-CB 4.2Å; Y303-D305 WeakPolarHBondContact OH-CB 3.49Å; D305-D307 PolarHBondContact O-N 3.29Å; D305-D307 PolarHBondContact OD1-N 2.88Å; D305-C308 HydrophobicContact CB-CB 4.29Å; D305-C308 WeakPolarHBondContact O-CB 3.32Å; D305-C308 PolarHBondContact O-N 2.86Å | ||
| 306 | T | 96 | Very high | 96.8 | Very high | 130 Ų | 130 | 44 Ų | 44 | 80% | 0.798 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.9 | -177.1 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | C308 | T306-C308 PolarHBondContact O-N 3.38Š|
| 307 | D | 97.1 | Very high | 96.8 | Very high | 111 Ų | 111 | 43.5 Ų | 43.5 | 59% | 0.594 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -5.6 | 175.9 | -61.8 | -17.2 | 0 | 0 | 0 | 111.5 | L292 D305 E309 | L292-D307 HydrophobicContact CD1-CB 4.02Å; L292-D307 HydrophobicContact CD2-CB 4.42Å; D305-D307 PolarHBondContact O-N 3.29Å; D305-D307 PolarHBondContact OD1-N 2.88Å; D307-E309 VanDerWaalsContact C-N 3.34Å; D307-E309 PolarHBondContact O-N 2.97Å |
| 308 | C | 98.2 | Very high | 96.8 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | trans | -81.1 | 81.9 | -179.2 | -157.4 | 0 | 0 | 0 | 0 | 110.6 | N289 L292 Y303 D305 T306 M358 C359 | N289-C308 PolarHBondContact O-SG 2.7Å; N289-C308 VanDerWaalsContact O-SG 3.36Å; L292-C308 HydrophobicContact CD1-CB 3.74Å; Y303-C308 HydrophobicContact CE1-CB 4.17Å; D305-C308 HydrophobicContact CB-CB 4.29Å; D305-C308 WeakPolarHBondContact O-CB 3.32Å; D305-C308 PolarHBondContact O-N 2.86Å; T306-C308 PolarHBondContact O-N 3.38Å; C308-M358 HydrophobicContact CB-SD 4.06Å; C308-C359 HydrophobicContact CB-CB 4.22Å; C308-C359 WeakPolarHBondContact CB-SG 3.37Å; C308-C359 PolarHBondContact O-N 3.39Å; C308-C359 VanDerWaalsContact O-N 3.09Å; C308-C359 WeakPolarHBondContact SG-CA 3.33Å; C308-C359 WeakPolarHBondContact SG-CB 3.39Å; C308-C359 CovalentContact SG-SG 2.04Å; C308-C359 PolarHBondContact SG-SG 3.01Å | ||
| 309 | E | 95.6 | Very high | 96.9 | Very high | 116 Ų | 116 | 43.5 Ų | 43.5 | 54% | 0.542 | 25% | 0.249 | S | C | . | . | trans | -55 | 139.4 | -178.7 | -66.1 | 179.9 | -159.8 | 0 | 0 | 112.3 | N289 D307 A314 C359 | N289-E309 WeakPolarHBondContact CB-O 3.41Å; N289-E309 PolarHBondContact ND2-N 2.65Å; N289-E309 PolarHBondContact ND2-O 3.14Å; D307-E309 VanDerWaalsContact C-N 3.34Å; D307-E309 PolarHBondContact O-N 2.97Å; E309-A314 HydrophobicContact CB-CB 3.82Å; E309-C359 CarbonylContact O-C 3.58Å | ||
| 310 | G | 93.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | trans | -104.4 | 11.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G360 S363 | G310-G360 VanDerWaalsContact CA-CA 3.48Å; G310-G360 VanDerWaalsContact CA-N 3.26Å; G310-S363 PolarHBondContact O-OG 2.91Å | ||
| 311 | T | 92.4 | Very high | 96.9 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 39% | 0.393 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -76.6 | 156.3 | 178.8 | 58.4 | 0 | 0 | 0 | 0 | 111.5 | D313 A314 L315 | T311-D313 VanDerWaalsContact C-N 3.26Å; T311-D313 WeakPolarHBondContact CB-OD1 3.29Å; T311-D313 PolarHBondContact O-N 3.34Å; T311-D313 PolarHBondContact OG1-OD1 3.27Å; T311-A314 PolarHBondContact O-N 3.41Å; T311-L315 WeakPolarHBondContact O-CG 3.47Å |
| 312 | L | 93.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 37.5 Ų | 37.5 | 36% | 0.361 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -58.9 | -33.9 | -179.4 | -83 | 174.2 | 0 | 0 | 0 | 113.9 | E268 A314 L315 A364 | E268-L312 HydrophobicContact CG-CD1 4.36Å; E268-L312 HydrophobicContact CG-CG 4.34Å; E268-L312 WeakPolarHBondContact OE1-CD1 3.24Å; E268-L312 WeakPolarHBondContact OE1-CG 3.23Å; E268-L312 VanDerWaalsContact OE2-CD1 3.26Å; E268-L312 WeakPolarHBondContact OE2-CD1 3.38Å; L312-A314 VanDerWaalsContact C-N 3.32Å; L312-L315 HydrophobicContact CD2-CD1 3.85Å; L312-L315 PolarHBondContact O-N 2.89Å; L312-A364 HydrophobicContact CD2-CB 4.24Å |
| 313 | D | 93.5 | Very high | 96.9 | Very high | 141 Ų | 141 | 37.1 Ų | 37.1 | 75% | 0.754 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -77 | -17.6 | -178.9 | 62.1 | -45.2 | 0 | 0 | 0 | 113.6 | T311 | T311-D313 VanDerWaalsContact C-N 3.26Å; T311-D313 WeakPolarHBondContact CB-OD1 3.29Å; T311-D313 PolarHBondContact O-N 3.34Å; T311-D313 PolarHBondContact OG1-OD1 3.27Å |
| 314 | A | 95.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 37.2 Ų | 37.2 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -84.5 | -13.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N289 E309 T311 L312 | N289-A314 HydrophobicContact CB-CB 4.31Å; N289-A314 WeakPolarHBondContact CB-O 3.41Å; E309-A314 HydrophobicContact CB-CB 3.82Å; T311-A314 PolarHBondContact O-N 3.41Å; L312-A314 VanDerWaalsContact C-N 3.32Å |
| 315 | L | 97.2 | Very high | 97 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | trans | -74.3 | 131.6 | -176.8 | -48.6 | -179.5 | 0 | 0 | 0 | 111.3 | Y126 A287 T311 L312 A364 | Y126-L315 HydrophobicContact CD1-CB 3.99Å; Y126-L315 HydrophobicContact CE1-CB 3.8Å; Y126-L315 HydrophobicContact CE1-CD1 4.42Å; A287-L315 HydrophobicContact CB-CB 4.06Å; A287-L315 HydrophobicContact CB-CD1 4Å; T311-L315 WeakPolarHBondContact O-CG 3.47Å; L312-L315 HydrophobicContact CD2-CD1 3.85Å; L312-L315 PolarHBondContact O-N 2.89Å; L315-A364 HydrophobicContact CD1-CB 3.7Å | ||
| 316 | D | 97.5 | Very high | 97 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | trans | -144.3 | -7.2 | -177 | 63.5 | 10.3 | 0 | 0 | 0 | 114.5 | R124 G125 Y126 I288 A290 | R124-D316 CarbonylContact C-O 3.56Å; R124-D316 VanDerWaalsContact CA-O 3.25Å; R124-D316 WeakPolarHBondContact CA-O 3.18Å; R124-D316 HydrophobicContact CB-CB 4.04Å; R124-D316 VanDerWaalsContact CB-O 3.29Å; R124-D316 WeakPolarHBondContact CB-O 3.37Å; R124-D316 WeakPolarHBondContact CD-OD2 3.49Å; R124-D316 IonicContact CZ-OD2 3.61Å; R124-D316 IonicContact NE-OD2 3.94Å; R124-D316 IonicContact NH1-OD2 2.67Å; R124-D316 PolarHBondContact NH1-OD2 3.46Å; R124-D316 VanDerWaalsContact O-O 3.13Å; G125-D316 PolarHBondContact N-O 3.01Å; Y126-D316 VanDerWaalsContact CB-C 3.48Å; Y126-D316 WeakPolarHBondContact CB-O 3.25Å; Y126-D316 PolarHBondContact N-O 3.18Å; I288-D316 PolarHBondContact O-N 3.45Å; A290-D316 PolarHBondContact N-OD1 2.77Å | ||
| 317 | H | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.5 | -176.3 | -168.9 | 49.3 | 0 | 0 | 0 | 112.8 | R124 C172 A287 I288 A290 V319 N337 W339 | R124-H317 HydrophobicContact CB-CB 4.38Å; R124-H317 HydrophobicContact CG-CB 4.15Å; C172-H317 WeakPolarHBondContact CB-CE1 3.43Å; C172-H317 VanDerWaalsContact CB-ND1 3.26Å; C172-H317 WeakPolarHBondContact CB-ND1 3.32Å; C172-H317 PolarHBondContact SG-ND1 3.03Å; A287-H317 CarbonylContact C-O 3.48Å; A287-H317 VanDerWaalsContact CA-O 3.25Å; A287-H317 WeakPolarHBondContact CA-O 3.37Å; I288-H317 HydrophobicContact CG1-CB 4.21Å; I288-H317 PolarHBondContact N-O 3.34Å; I288-H317 PolarHBondContact O-N 3.44Å; A290-H317 HydrophobicContact CB-CB 3.46Å; A290-H317 VanDerWaalsContact CB-CB 3.46Å; H317-V319 WeakPolarHBondContact CD2-CG1 3.33Å; H317-N337 PolarHBondContact NE2-OD1 2.97Å; H317-W339 AromaticContact CE1-CE2 3.79Å; H317-W339 AromaticContact CE1-CZ2 3.89Å; H317-W339 AromaticContact CE1-NE1 3.45Å; H317-W339 PolarHBondContact CE1-NE1 2.88Å; H317-W339 AromaticContact NE2-CE2 3.83Å; H317-W339 AromaticContact NE2-CZ2 3.86Å; H317-W339 AromaticContact NE2-NE1 3.83Å |
| 318 | G | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C172 | C172-G318 PolarHBondContact SG-N 2.76Å |
| 319 | V | 98.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 172.9 | -178.4 | -62.9 | 0 | 0 | 0 | 0 | 111 | S176 V286 I288 H317 I335 | S176-V319 PolarHBondContact OG-O 3.38Å; V286-V319 HydrophobicContact CG2-CG2 3.47Å; V286-V319 VanDerWaalsContact CG2-CG2 3.47Å; V286-V319 PolarHBondContact N-O 2.97Å; V286-V319 PolarHBondContact O-N 3.41Å; V286-V319 VanDerWaalsContact O-O 3.08Å; I288-V319 HydrophobicContact CD1-CG1 3.98Å; I288-V319 HydrophobicContact CD1-CG2 3.93Å; I288-V319 HydrophobicContact CG1-CG1 4.25Å; I288-V319 HydrophobicContact CG1-CG2 3.95Å; I288-V319 HydrophobicContact CG2-CG2 4.02Å; H317-V319 WeakPolarHBondContact CD2-CG1 3.33Å; V319-I335 HydrophobicContact CB-CG2 3.54Å; V319-I335 HydrophobicContact CG1-CG2 4.26Å; V319-I335 HydrophobicContact CG2-CG2 3.45Å; V319-I335 VanDerWaalsContact CG2-CG2 3.45Å |
| 320 | L | 98.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.2 | -178 | -176.4 | 76.6 | 0 | 0 | 0 | 110.6 | A180 P283 V322 I335 K336 | A180-L320 HydrophobicContact CB-CD1 3.87Å; P283-L320 HydrophobicContact CB-CD1 3.85Å; P283-L320 HydrophobicContact CB-CD2 3.98Å; P283-L320 HydrophobicContact CB-CG 3.99Å; L320-V322 HydrophobicContact CB-CG1 4.48Å; L320-V322 HydrophobicContact CD2-CG1 3.57Å; L320-V322 HydrophobicContact CG-CG1 3.83Å; L320-V322 PolarHBondContact O-N 2.85Å; L320-I335 CarbonylContact O-C 3.59Å; L320-I335 WeakPolarHBondContact O-CA 3.49Å; L320-K336 HydrophobicContact CB-CB 4.26Å; L320-K336 HydrophobicContact CD2-CD 4.38Å; L320-K336 PolarHBondContact N-O 3.03Å; L320-K336 PolarHBondContact O-N 3.19Å |
| 321 | V | 99 | Very high | 97 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 115.8 | 168.9 | -179.1 | 0 | 0 | 0 | 0 | 108 | V278 P283 V284 V286 W333 I335 V361 | V278-V321 HydrophobicContact CG1-CG1 4.33Å; V278-V321 HydrophobicContact CG2-CB 4.21Å; V278-V321 HydrophobicContact CG2-CG1 3.6Å; P283-V321 VanDerWaalsContact CA-O 3.27Å; P283-V321 WeakPolarHBondContact CA-O 3.35Å; V284-V321 PolarHBondContact N-O 2.9Å; V284-V321 PolarHBondContact O-N 3.48Å; V286-V321 HydrophobicContact CB-CG2 4.31Å; V286-V321 HydrophobicContact CG1-CB 4.5Å; V286-V321 HydrophobicContact CG1-CG2 3.57Å; V286-V321 HydrophobicContact CG2-CG2 3.69Å; V321-W333 HydrophobicContact CG1-CE3 3.8Å; V321-W333 HydrophobicContact CG1-CZ3 4.33Å; V321-I335 HydrophobicContact CG2-CD1 4.43Å; V321-I335 HydrophobicContact CG2-CG1 4Å; V321-V361 HydrophobicContact CG2-CG1 4.03Å |
| 322 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 2 | -179.1 | -61 | 0 | 0 | 0 | 0 | 112.6 | W154 R155 V160 P283 L320 L334 K336 Y348 | W154-V322 WeakPolarHBondContact CB-O 3.31Å; W154-V322 PolarHBondContact N-O 3.35Å; R155-V322 HydrophobicContact CG-CG2 4.33Å; V160-V322 HydrophobicContact CG1-CG1 3.98Å; V160-V322 HydrophobicContact CG2-CB 3.99Å; V160-V322 HydrophobicContact CG2-CG1 3.77Å; P283-V322 HydrophobicContact CB-CG1 4.44Å; L320-V322 HydrophobicContact CB-CG1 4.48Å; L320-V322 HydrophobicContact CD2-CG1 3.57Å; L320-V322 HydrophobicContact CG-CG1 3.83Å; L320-V322 PolarHBondContact O-N 2.85Å; V322-L334 HydrophobicContact CG2-CB 4.37Å; V322-L334 HydrophobicContact CG2-CD2 3.83Å; V322-L334 HydrophobicContact CG2-CG 3.7Å; V322-L334 WeakPolarHBondContact CG2-O 3.34Å; V322-L334 PolarHBondContact N-O 3.29Å; V322-K336 HydrophobicContact CG1-CB 4.01Å; V322-Y348 HydrophobicContact CG2-CD1 4.27Å; V322-Y348 HydrophobicContact CG2-CE1 4.02Å |
| 323 | G | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | -172 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V152 L334 | V152-G323 CarbonylContact O-C 3.53Å; V152-G323 WeakPolarHBondContact O-CA 3.33Å; G323-L334 PolarHBondContact N-O 2.9Å; G323-L334 PolarHBondContact O-N 3.37Å |
| 324 | Y | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 164.7 | 175.3 | 57 | -100.8 | 0 | 0 | 0 | 109.3 | P149 K151 V152 M275 V278 A279 Y332 W333 | P149-Y324 VanDerWaalsContact O-CE2 3.29Å; P149-Y324 WeakPolarHBondContact O-CE2 3.21Å; P149-Y324 PolarHBondContact O-OH 3.28Å; P149-Y324 VanDerWaalsContact O-OH 3.12Å; K151-Y324 WeakPolarHBondContact CA-O 3.25Å; V152-Y324 HydrophobicContact CB-CD1 4.25Å; V152-Y324 HydrophobicContact CB-CE1 3.95Å; V152-Y324 HydrophobicContact CB-CE2 4.48Å; V152-Y324 HydrophobicContact CG2-CD1 4.46Å; V152-Y324 HydrophobicContact CG2-CE1 3.7Å; V152-Y324 HydrophobicContact CG2-CE2 4.05Å; V152-Y324 VanDerWaalsContact CG2-CZ 3.46Å; V152-Y324 WeakPolarHBondContact CG2-OH 3.23Å; V152-Y324 PolarHBondContact N-O 3.2Å; V152-Y324 PolarHBondContact O-N 2.98Å; V152-Y324 VanDerWaalsContact O-O 3.05Å; M275-Y324 HydrophobicContact CB-CE1 4.49Å; M275-Y324 HydrophobicContact CE-CD2 4.13Å; M275-Y324 HydrophobicContact CE-CE2 3.42Å; M275-Y324 VanDerWaalsContact CE-CE2 3.42Å; M275-Y324 HydrophobicContact CG-CD1 3.94Å; M275-Y324 HydrophobicContact CG-CD2 4.36Å; M275-Y324 HydrophobicContact CG-CE1 3.53Å; M275-Y324 HydrophobicContact CG-CE2 4.02Å; M275-Y324 HydrophobicContact CG-CG 4.32Å; M275-Y324 WeakPolarHBondContact O-CE1 3.15Å; M275-Y324 HydrophobicContact SD-CE2 4.39Å; V278-Y324 HydrophobicContact CB-CD1 4.26Å; V278-Y324 HydrophobicContact CB-CE1 4.23Å; V278-Y324 HydrophobicContact CG1-CD1 3.87Å; V278-Y324 HydrophobicContact CG1-CE1 4.04Å; A279-Y324 HydrophobicContact CB-CE1 4.21Å; A279-Y324 VanDerWaalsContact CB-OH 3.31Å; A279-Y324 WeakPolarHBondContact CB-OH 3.28Å; Y324-Y332 CarbonylContact C-O 3.56Å; Y324-Y332 WeakPolarHBondContact CA-O 3.47Å; Y324-Y332 VanDerWaalsContact CB-O 3.24Å; Y324-Y332 WeakPolarHBondContact CB-O 3.14Å; Y324-W333 HydrophobicContact CD1-CE3 4.49Å; Y324-W333 AromaticContact CD1-CZ3 3.96Å; Y324-W333 HydrophobicContact CD1-CZ3 3.96Å; Y324-W333 HydrophobicContact CG-CZ3 4.36Å |
| 325 | G | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | -164.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S331 Y332 | G325-S331 CarbonylContact O-C 3.38Å; G325-S331 WeakPolarHBondContact O-CA 3.28Å; G325-Y332 PolarHBondContact N-O 3.31Å; G325-Y332 PolarHBondContact O-N 3.46Å |
| 326 | E | 98 | Very high | 98.1 | Very high | 122 Ų | 122 | 30.8 Ų | 30.8 | 57% | 0.57 | 16% | 0.164 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.7 | 173.4 | -167.8 | -177.3 | 120.4 | 0 | 0 | 109.2 | G329 R330 | E326-G329 WeakPolarHBondContact OE1-CA 3.48Å; E326-R330 CarbonylContact C-O 3.55Å; E326-R330 VanDerWaalsContact CA-O 3.31Å; E326-R330 WeakPolarHBondContact CA-O 3.47Å |
| 327 | E | 96.5 | Very high | 98.1 | Very high | 74 Ų | 74 | 29.8 Ų | 29.8 | 35% | 0.346 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 125.8 | 174.3 | 173.4 | 171.3 | -143.6 | 0 | 0 | 108.2 | I302 G329 R330 Y332 K350 | I302-E327 HydrophobicContact CD1-CB 4.29Å; E327-G329 VanDerWaalsContact C-N 3.29Å; E327-G329 PolarHBondContact O-N 3.01Å; E327-R330 PolarHBondContact N-O 3.12Å; E327-R330 WeakPolarHBondContact O-CB 3.26Å; E327-R330 PolarHBondContact O-N 2.99Å; E327-Y332 HydrophobicContact CB-CD1 4.31Å; E327-Y332 HydrophobicContact CB-CE1 3.96Å; E327-K350 IonicContact OE1-NZ 3.69Å; E327-K350 IonicContact OE2-NZ 3.82Å; E327-K350 PolarHBondContact OE2-NZ 3.08Å |
| 328 | N | 93.3 | Very high | 98.1 | Very high | 152 Ų | 152 | 30 Ų | 30 | 81% | 0.813 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 43.3 | -180 | -54.8 | -39.6 | 0 | 0 | 0 | 113.7 | R330 | N328-R330 PolarHBondContact O-N 2.89Š|
| 329 | G | 95 | Very high | 98.1 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 63% | 0.629 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 7.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E326 E327 | E326-G329 WeakPolarHBondContact OE1-CA 3.48Å; E327-G329 VanDerWaalsContact C-N 3.29Å; E327-G329 PolarHBondContact O-N 3.01Å |
| 330 | R | 97.1 | Very high | 98.1 | Very high | 124 Ų | 124 | 30.4 Ų | 30.4 | 47% | 0.468 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.5 | -179.4 | -63.9 | -179.3 | -175.1 | -119.7 | 7.9 | 110.8 | I302 E326 E327 N328 | I302-R330 HydrophobicContact CD1-CB 3.58Å; E326-R330 CarbonylContact C-O 3.55Å; E326-R330 VanDerWaalsContact CA-O 3.31Å; E326-R330 WeakPolarHBondContact CA-O 3.47Å; E327-R330 PolarHBondContact N-O 3.12Å; E327-R330 WeakPolarHBondContact O-CB 3.26Å; E327-R330 PolarHBondContact O-N 2.99Å; N328-R330 PolarHBondContact O-N 2.89Å |
| 331 | S | 98.2 | Very high | 98 | Very high | 36 Ų | 36 | 35.4 Ų | 35.4 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141.4 | 176.2 | -91.1 | 0 | 0 | 0 | 0 | 111.3 | G325 K353 | G325-S331 CarbonylContact O-C 3.38Å; G325-S331 WeakPolarHBondContact O-CA 3.28Å; S331-K353 WeakPolarHBondContact CB-O 3.27Å; S331-K353 PolarHBondContact O-N 3.44Å; S331-K353 PolarHBondContact OG-NZ 3.08Å; S331-K353 VanDerWaalsContact OG-NZ 3.09Å |
| 332 | Y | 98.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 6% | 0.055 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153 | 177.2 | 65.6 | -95.5 | 0 | 0 | 0 | 113 | I302 Y324 G325 E327 L334 K350 I351 | I302-Y332 HydrophobicContact CD1-CD1 4.03Å; I302-Y332 HydrophobicContact CG1-CD1 4.36Å; Y324-Y332 CarbonylContact C-O 3.56Å; Y324-Y332 WeakPolarHBondContact CA-O 3.47Å; Y324-Y332 VanDerWaalsContact CB-O 3.24Å; Y324-Y332 WeakPolarHBondContact CB-O 3.14Å; G325-Y332 PolarHBondContact N-O 3.31Å; G325-Y332 PolarHBondContact O-N 3.46Å; E327-Y332 HydrophobicContact CB-CD1 4.31Å; E327-Y332 HydrophobicContact CB-CE1 3.96Å; Y332-L334 HydrophobicContact CD2-CB 4.41Å; Y332-L334 HydrophobicContact CE2-CB 4.14Å; Y332-K350 HydrophobicContact CD1-CD 4.21Å; Y332-K350 HydrophobicContact CD2-CB 3.92Å; Y332-K350 HydrophobicContact CD2-CD 4Å; Y332-K350 HydrophobicContact CD2-CG 3.74Å; Y332-K350 HydrophobicContact CE1-CD 4.26Å; Y332-K350 HydrophobicContact CE2-CD 4.08Å; Y332-K350 HydrophobicContact CE2-CG 4.06Å; Y332-K350 HydrophobicContact CG-CB 3.99Å; Y332-K350 HydrophobicContact CG-CD 4.09Å; Y332-K350 HydrophobicContact CG-CG 4.14Å; Y332-I351 CarbonylContact C-O 3.58Å; Y332-I351 WeakPolarHBondContact CA-O 3.41Å |
| 333 | W | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.8 | 158.9 | -65 | 113.4 | 0 | 0 | 0 | 109.4 | E271 L274 M275 V278 V321 Y324 I335 K350 I351 K353 V361 | E271-W333 HydrophobicContact CB-CZ2 4.11Å; E271-W333 HydrophobicContact CG-CZ2 4.43Å; E271-W333 WeakPolarHBondContact O-CH2 3Å; E271-W333 PolarHBondContact OE1-NE1 3.08Å; L274-W333 HydrophobicContact CB-CH2 3.99Å; L274-W333 HydrophobicContact CB-CZ2 4.34Å; L274-W333 HydrophobicContact CD2-CD2 4.46Å; L274-W333 HydrophobicContact CD2-CE3 4.49Å; L274-W333 HydrophobicContact CD2-CH2 3.87Å; L274-W333 HydrophobicContact CD2-CZ2 3.82Å; L274-W333 HydrophobicContact CD2-CZ3 4.21Å; L274-W333 HydrophobicContact CG-CH2 3.68Å; L274-W333 HydrophobicContact CG-CZ2 4.12Å; L274-W333 HydrophobicContact CG-CZ3 3.99Å; M275-W333 HydrophobicContact CB-CH2 3.74Å; M275-W333 HydrophobicContact CB-CZ3 4.32Å; M275-W333 HydrophobicContact CG-CH2 4.43Å; V278-W333 HydrophobicContact CG2-CZ3 4.48Å; V321-W333 HydrophobicContact CG1-CE3 3.8Å; V321-W333 HydrophobicContact CG1-CZ3 4.33Å; Y324-W333 HydrophobicContact CD1-CE3 4.49Å; Y324-W333 AromaticContact CD1-CZ3 3.96Å; Y324-W333 HydrophobicContact CD1-CZ3 3.96Å; Y324-W333 HydrophobicContact CG-CZ3 4.36Å; W333-I335 HydrophobicContact CB-CD1 4.04Å; W333-I335 HydrophobicContact CB-CG1 4.14Å; W333-K350 CarbonylContact O-C 2.85Å; W333-K350 VanDerWaalsContact O-CA 3.22Å; W333-K350 WeakPolarHBondContact O-CA 3.19Å; W333-I351 PolarHBondContact N-O 3.46Å; W333-I351 PolarHBondContact O-N 3.3Å; W333-K353 HydrophobicContact CD2-CB 4.22Å; W333-K353 HydrophobicContact CD2-CD 3.78Å; W333-K353 HydrophobicContact CD2-CG 4.07Å; W333-K353 VanDerWaalsContact CE2-CG 3.47Å; W333-K353 HydrophobicContact CE3-CD 4Å; W333-K353 HydrophobicContact CG-CB 4.06Å; W333-K353 HydrophobicContact CG-CD 4.45Å; W333-K353 HydrophobicContact CG-CG 4.43Å; W333-K353 HydrophobicContact CH2-CD 3.76Å; W333-K353 HydrophobicContact CH2-CG 4.41Å; W333-K353 HydrophobicContact CZ2-CD 3.52Å; W333-K353 HydrophobicContact CZ2-CG 3.67Å; W333-K353 HydrophobicContact CZ3-CD 3.99Å; W333-V361 HydrophobicContact CB-CG1 4.33Å; W333-V361 HydrophobicContact CD2-CG1 4.1Å; W333-V361 HydrophobicContact CG-CG1 3.75Å |
| 334 | L | 98.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.4 | 172.1 | 178.7 | 65.9 | 0 | 0 | 0 | 108.8 | D153 V322 G323 Y332 Y348 K350 | D153-L334 HydrophobicContact CB-CD2 4.46Å; V322-L334 HydrophobicContact CG2-CB 4.37Å; V322-L334 HydrophobicContact CG2-CD2 3.83Å; V322-L334 HydrophobicContact CG2-CG 3.7Å; V322-L334 WeakPolarHBondContact CG2-O 3.34Å; V322-L334 PolarHBondContact N-O 3.29Å; G323-L334 PolarHBondContact N-O 2.9Å; G323-L334 PolarHBondContact O-N 3.37Å; Y332-L334 HydrophobicContact CD2-CB 4.41Å; Y332-L334 HydrophobicContact CE2-CB 4.14Å; L334-Y348 HydrophobicContact CD1-CD1 4.41Å; L334-K350 HydrophobicContact CD1-CG 4.46Å |
| 335 | I | 99 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.7 | -169.4 | -65.3 | 170.6 | 0 | 0 | 0 | 109.8 | V319 L320 V321 W333 Y348 I349 I351 V361 | V319-I335 HydrophobicContact CB-CG2 3.54Å; V319-I335 HydrophobicContact CG1-CG2 4.26Å; V319-I335 HydrophobicContact CG2-CG2 3.45Å; V319-I335 VanDerWaalsContact CG2-CG2 3.45Å; L320-I335 CarbonylContact O-C 3.59Å; L320-I335 WeakPolarHBondContact O-CA 3.49Å; V321-I335 HydrophobicContact CG2-CD1 4.43Å; V321-I335 HydrophobicContact CG2-CG1 4Å; W333-I335 HydrophobicContact CB-CD1 4.04Å; W333-I335 HydrophobicContact CB-CG1 4.14Å; I335-Y348 VanDerWaalsContact O-CA 3.25Å; I335-Y348 WeakPolarHBondContact O-CA 3.49Å; I335-Y348 WeakPolarHBondContact O-CD1 3.41Å; I335-I349 HydrophobicContact CB-CG2 3.79Å; I335-I349 HydrophobicContact CG2-CG2 4.04Å; I335-I349 PolarHBondContact N-O 3.49Å; I335-I349 PolarHBondContact O-N 3.1Å; I335-I351 HydrophobicContact CD1-CB 4.23Å; I335-I351 HydrophobicContact CD1-CD1 3.63Å; I335-I351 HydrophobicContact CD1-CG1 3.95Å; I335-V361 HydrophobicContact CD1-CG1 4.25Å; I335-V361 HydrophobicContact CD1-CG2 3.94Å |
| 336 | K | 98.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 8% | 0.078 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.7 | 169.9 | -172.9 | -179.7 | 175.5 | -178.8 | 0 | 109.1 | V160 T161 D162 V163 L320 V322 Y348 | V160-K336 HydrophobicContact CG1-CD 3.71Å; T161-K336 VanDerWaalsContact C-NZ 3.28Å; T161-K336 PolarHBondContact O-NZ 3.41Å; T161-K336 PolarHBondContact OG1-NZ 2.84Å; D162-K336 VanDerWaalsContact O-CE 3.28Å; D162-K336 WeakPolarHBondContact O-CE 3.28Å; D162-K336 PolarHBondContact O-NZ 3.24Å; V163-K336 HydrophobicContact CG2-CG 4.27Å; L320-K336 HydrophobicContact CB-CB 4.26Å; L320-K336 HydrophobicContact CD2-CD 4.38Å; L320-K336 PolarHBondContact N-O 3.03Å; L320-K336 PolarHBondContact O-N 3.19Å; V322-K336 HydrophobicContact CG1-CB 4.01Å; K336-Y348 HydrophobicContact CB-CD1 3.93Å; K336-Y348 HydrophobicContact CB-CE1 3.51Å; K336-Y348 HydrophobicContact CD-CE1 4.3Å; K336-Y348 HydrophobicContact CG-CD1 4.38Å; K336-Y348 HydrophobicContact CG-CE1 3.71Å |
| 337 | N | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | trans | -102.5 | 172 | 174.2 | -162 | 4.3 | 0 | 0 | 0 | 110.9 | H317 W339 W343 G347 | H317-N337 PolarHBondContact NE2-OD1 2.97Å; N337-W339 VanDerWaalsContact ND2-CE3 3.33Å; N337-W343 HydrophobicContact CB-CE3 3.87Å; N337-W343 HydrophobicContact CB-CH2 4.22Å; N337-W343 HydrophobicContact CB-CZ3 3.48Å; N337-W343 VanDerWaalsContact CB-CZ3 3.48Å; N337-W343 VanDerWaalsContact ND2-CE3 3.31Å; N337-W343 VanDerWaalsContact ND2-CH2 3.27Å; N337-W343 WeakPolarHBondContact ND2-CH2 3.16Å; N337-W343 WeakPolarHBondContact ND2-CZ3 3.17Å; N337-G347 WeakPolarHBondContact CB-O 2.99Å; N337-G347 PolarHBondContact N-O 3.37Å | ||
| 338 | S | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -117.2 | 29.5 | -179.3 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | K164 N165 Q166 | K164-S338 CarbonylContact O-C 3.56Å; N165-S338 CarbonylContact C-O 3.34Å; N165-S338 WeakPolarHBondContact CA-O 3.46Å; Q166-S338 WeakPolarHBondContact CG-O 3.29Å; Q166-S338 PolarHBondContact N-O 3.38Å; Q166-S338 PolarHBondContact OE1-OG 3.43Å |
| 339 | W | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -109.3 | 25.3 | -178.6 | -66.6 | -6.7 | 0 | 0 | 0 | 113 | F112 R124 A290 F295 H317 N337 W343 | F112-W339 HydrophobicContact CD2-CE3 4.22Å; F112-W339 HydrophobicContact CE2-CB 3.88Å; F112-W339 AromaticContact CE2-CD2 3.88Å; F112-W339 HydrophobicContact CE2-CD2 3.88Å; F112-W339 AromaticContact CE2-CE3 3.57Å; F112-W339 HydrophobicContact CE2-CE3 3.57Å; F112-W339 HydrophobicContact CE2-CG 4.05Å; F112-W339 HydrophobicContact CE2-CZ3 4.4Å; F112-W339 HydrophobicContact CZ-CB 3.82Å; F112-W339 HydrophobicContact CZ-CD2 4.01Å; F112-W339 HydrophobicContact CZ-CE3 4.17Å; F112-W339 AromaticContact CZ-CG 3.88Å; F112-W339 HydrophobicContact CZ-CG 3.88Å; R124-W339 HydrophobicContact CG-CZ2 4.26Å; A290-W339 HydrophobicContact CB-CH2 4.34Å; F295-W339 AromaticContact CD1-CH2 3.82Å; F295-W339 HydrophobicContact CD1-CH2 3.82Å; F295-W339 AromaticContact CD1-CZ3 3.76Å; F295-W339 HydrophobicContact CD1-CZ3 3.76Å; F295-W339 AromaticContact CE1-CH2 3.72Å; F295-W339 HydrophobicContact CE1-CH2 3.72Å; F295-W339 AromaticContact CE1-CZ3 3.65Å; F295-W339 HydrophobicContact CE1-CZ3 3.65Å; H317-W339 AromaticContact CE1-CE2 3.79Å; H317-W339 AromaticContact CE1-CZ2 3.89Å; H317-W339 AromaticContact CE1-NE1 3.45Å; H317-W339 PolarHBondContact CE1-NE1 2.88Å; H317-W339 AromaticContact NE2-CE2 3.83Å; H317-W339 AromaticContact NE2-CZ2 3.86Å; H317-W339 AromaticContact NE2-NE1 3.83Å; N337-W339 VanDerWaalsContact ND2-CE3 3.33Å; W339-W343 HydrophobicContact CB-CB 4.15Å; W339-W343 HydrophobicContact CB-CG 4.24Å; W339-W343 AromaticContact CE3-CD1 3.77Å; W339-W343 AromaticContact CE3-CD2 3.97Å; W339-W343 HydrophobicContact CE3-CD2 3.97Å; W339-W343 AromaticContact CE3-CE2 3.65Å; W339-W343 HydrophobicContact CE3-CG 4.03Å; W339-W343 HydrophobicContact CE3-CZ2 4.19Å; W339-W343 AromaticContact CE3-NE1 3.53Å; W339-W343 AromaticContact CZ3-CE2 3.93Å; W339-W343 HydrophobicContact CZ3-CZ2 4.15Å; W339-W343 AromaticContact CZ3-NE1 3.73Å |
| 340 | G | 97.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 8% | 0.082 | 15% | 0.152 | C | C | . | . | trans | 73 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K164 G347 | K164-G340 PolarHBondContact O-N 3.33Å; K164-G340 VanDerWaalsContact O-N 3.09Å; G340-G347 WeakPolarHBondContact O-CA 3.32Å | ||
| 341 | E | 97.1 | Very high | 98.3 | Very high | 112 Ų | 112 | 27.2 Ų | 27.2 | 52% | 0.523 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.3 | -174.2 | -64.9 | -170.7 | 159.3 | 0 | 0 | 113.9 | V163 W343 K346 G347 | V163-E341 HydrophobicContact CB-CG 3.92Å; V163-E341 HydrophobicContact CG1-CG 4.14Å; E341-W343 PolarHBondContact O-N 2.68Å; E341-K346 CarbonylContact O-C 3.35Å; E341-K346 VanDerWaalsContact O-CA 3.23Å; E341-K346 WeakPolarHBondContact O-CA 3.39Å; E341-G347 PolarHBondContact O-N 2.88Å |
| 342 | E | 94.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 26.1 Ų | 26.1 | 43% | 0.425 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -25.3 | 179.5 | -67.7 | -61.5 | 130.5 | 0 | 0 | 112.5 | Q66 F67 K299 | Q66-E342 PolarHBondContact NE2-OE2 3.09Å; F67-E342 HydrophobicContact CE1-CB 4.04Å; F67-E342 HydrophobicContact CE1-CG 4.2Å; K299-E342 PolarHBondContact NZ-O 2.76Å |
| 343 | W | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -82.1 | 140.1 | 175.6 | -177.4 | 87.2 | 0 | 0 | 0 | 111.8 | F112 F295 S296 Y298 N337 W339 E341 G347 I349 | F112-W343 AromaticContact CD2-CD1 3.78Å; F112-W343 HydrophobicContact CE2-CB 4.34Å; F112-W343 AromaticContact CE2-CD1 3.68Å; F112-W343 HydrophobicContact CE2-CG 4.18Å; F295-W343 AromaticContact CD1-CZ2 3.97Å; F295-W343 HydrophobicContact CD1-CZ2 3.97Å; F295-W343 AromaticContact CE1-CH2 3.91Å; F295-W343 HydrophobicContact CE1-CH2 3.91Å; F295-W343 AromaticContact CE1-CZ2 3.55Å; F295-W343 HydrophobicContact CE1-CZ2 3.55Å; F295-W343 AromaticContact CZ-CH2 3.81Å; F295-W343 HydrophobicContact CZ-CH2 3.81Å; F295-W343 AromaticContact CZ-CZ2 3.91Å; F295-W343 HydrophobicContact CZ-CZ2 3.91Å; F295-W343 WeakPolarHBondContact O-CZ2 3.14Å; F295-W343 PolarHBondContact O-NE1 3.28Å; S296-W343 PolarHBondContact O-NE1 2.87Å; Y298-W343 HydrophobicContact CD1-CH2 4.17Å; Y298-W343 HydrophobicContact CD1-CZ2 4.21Å; N337-W343 HydrophobicContact CB-CE3 3.87Å; N337-W343 HydrophobicContact CB-CH2 4.22Å; N337-W343 HydrophobicContact CB-CZ3 3.48Å; N337-W343 VanDerWaalsContact CB-CZ3 3.48Å; N337-W343 VanDerWaalsContact ND2-CE3 3.31Å; N337-W343 VanDerWaalsContact ND2-CH2 3.27Å; N337-W343 WeakPolarHBondContact ND2-CH2 3.16Å; N337-W343 WeakPolarHBondContact ND2-CZ3 3.17Å; W339-W343 HydrophobicContact CB-CB 4.15Å; W339-W343 HydrophobicContact CB-CG 4.24Å; W339-W343 AromaticContact CE3-CD1 3.77Å; W339-W343 AromaticContact CE3-CD2 3.97Å; W339-W343 HydrophobicContact CE3-CD2 3.97Å; W339-W343 AromaticContact CE3-CE2 3.65Å; W339-W343 HydrophobicContact CE3-CG 4.03Å; W339-W343 HydrophobicContact CE3-CZ2 4.19Å; W339-W343 AromaticContact CE3-NE1 3.53Å; W339-W343 AromaticContact CZ3-CE2 3.93Å; W339-W343 HydrophobicContact CZ3-CZ2 4.15Å; W339-W343 AromaticContact CZ3-NE1 3.73Å; E341-W343 PolarHBondContact O-N 2.68Å; W343-G347 VanDerWaalsContact O-CA 3.25Å; W343-G347 WeakPolarHBondContact O-CA 3.44Å; W343-G347 PolarHBondContact O-N 3.04Å; W343-I349 HydrophobicContact CH2-CB 3.76Å; W343-I349 HydrophobicContact CH2-CD1 4.01Å; W343-I349 HydrophobicContact CH2-CG1 4.45Å; W343-I349 HydrophobicContact CH2-CG2 3.95Å; W343-I349 HydrophobicContact CZ2-CD1 4.47Å; W343-I349 HydrophobicContact CZ3-CB 4.05Å; W343-I349 HydrophobicContact CZ3-CG2 4.27Å |
| 344 | G | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -147.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y298 K299 K346 | Y298-G344 WeakPolarHBondContact O-CA 3.21Å; Y298-G344 PolarHBondContact O-N 2.91Å; K299-G344 CarbonylContact O-C 3.46Å; K299-G344 VanDerWaalsContact O-O 3.13Å; G344-K346 PolarHBondContact O-N 2.93Å |
| 345 | E | 98.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 31.4 Ų | 31.4 | 29% | 0.29 | 17% | 0.167 | S | C | . | . | B | Isolated β-bridge | trans | -87.6 | 78.3 | 175.8 | -66.8 | -174.4 | 28.8 | 0 | 0 | 109.8 | Y298 K299 S300 G301 G347 Y348 K350 | Y298-E345 HydrophobicContact CE1-CG 4.5Å; Y298-E345 PolarHBondContact OH-OE2 3.13Å; Y298-E345 VanDerWaalsContact OH-OE2 3.13Å; K299-E345 PolarHBondContact O-N 3.02Å; S300-E345 WeakPolarHBondContact CA-OE2 3.36Å; G301-E345 PolarHBondContact N-OE2 2.76Å; E345-G347 VanDerWaalsContact C-N 3.33Å; E345-G347 PolarHBondContact O-N 2.92Å; E345-Y348 PolarHBondContact N-O 3.42Å; E345-Y348 WeakPolarHBondContact O-CB 3.49Å; E345-Y348 PolarHBondContact O-N 3.24Å; E345-Y348 VanDerWaalsContact O-N 3.16Å; E345-K350 IonicContact OE1-NZ 3.58Å |
| 346 | K | 98 | Very high | 97.7 | Very high | 158 Ų | 158 | 40.5 Ų | 40.5 | 69% | 0.687 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 44.7 | -175.9 | -57.1 | -173.4 | 177 | -170.9 | 0 | 112.4 | V163 E341 G344 Y348 | V163-K346 WeakPolarHBondContact CG2-O 2.97Å; E341-K346 CarbonylContact O-C 3.35Å; E341-K346 VanDerWaalsContact O-CA 3.23Å; E341-K346 WeakPolarHBondContact O-CA 3.39Å; G344-K346 PolarHBondContact O-N 2.93Å; K346-Y348 VanDerWaalsContact C-N 3.34Å; K346-Y348 VanDerWaalsContact O-CD2 3.27Å; K346-Y348 WeakPolarHBondContact O-CD2 2.85Å |
| 347 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 4.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N337 G340 E341 W343 E345 | N337-G347 WeakPolarHBondContact CB-O 2.99Å; N337-G347 PolarHBondContact N-O 3.37Å; G340-G347 WeakPolarHBondContact O-CA 3.32Å; E341-G347 PolarHBondContact O-N 2.88Å; W343-G347 VanDerWaalsContact O-CA 3.25Å; W343-G347 WeakPolarHBondContact O-CA 3.44Å; W343-G347 PolarHBondContact O-N 3.04Å; E345-G347 VanDerWaalsContact C-N 3.33Å; E345-G347 PolarHBondContact O-N 2.92Å |
| 348 | Y | 98.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 9% | 0.09 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 155 | 176.3 | -63.8 | -93.8 | 0 | 0 | 0 | 112 | R155 V163 V322 L334 I335 K336 E345 K346 | R155-Y348 VanDerWaalsContact CD-CE1 3.45Å; R155-Y348 VanDerWaalsContact CD-CZ 3.46Å; R155-Y348 HydrophobicContact CG-CE1 4.24Å; V163-Y348 HydrophobicContact CG2-CD2 4.08Å; V163-Y348 HydrophobicContact CG2-CE2 3.43Å; V163-Y348 VanDerWaalsContact CG2-CE2 3.43Å; V322-Y348 HydrophobicContact CG2-CD1 4.27Å; V322-Y348 HydrophobicContact CG2-CE1 4.02Å; L334-Y348 HydrophobicContact CD1-CD1 4.41Å; I335-Y348 VanDerWaalsContact O-CA 3.25Å; I335-Y348 WeakPolarHBondContact O-CA 3.49Å; I335-Y348 WeakPolarHBondContact O-CD1 3.41Å; K336-Y348 HydrophobicContact CB-CD1 3.93Å; K336-Y348 HydrophobicContact CB-CE1 3.51Å; K336-Y348 HydrophobicContact CD-CE1 4.3Å; K336-Y348 HydrophobicContact CG-CD1 4.38Å; K336-Y348 HydrophobicContact CG-CE1 3.71Å; E345-Y348 PolarHBondContact N-O 3.42Å; E345-Y348 WeakPolarHBondContact O-CB 3.49Å; E345-Y348 PolarHBondContact O-N 3.24Å; E345-Y348 VanDerWaalsContact O-N 3.16Å; K346-Y348 VanDerWaalsContact C-N 3.34Å; K346-Y348 VanDerWaalsContact O-CD2 3.27Å; K346-Y348 WeakPolarHBondContact O-CD2 2.85Å |
| 349 | I | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.3 | 171.6 | -176.9 | 167.3 | 0 | 0 | 0 | 109.9 | F295 Y298 Y303 I335 W343 I351 | F295-I349 HydrophobicContact CD2-CD1 4.03Å; F295-I349 HydrophobicContact CE2-CD1 3.64Å; F295-I349 HydrophobicContact CZ-CD1 4.27Å; Y298-I349 HydrophobicContact CD1-CB 4.07Å; Y298-I349 HydrophobicContact CD1-CD1 3.9Å; Y298-I349 HydrophobicContact CD1-CG1 3.84Å; Y298-I349 HydrophobicContact CD2-CD1 4.01Å; Y298-I349 HydrophobicContact CD2-CG1 4.16Å; Y298-I349 HydrophobicContact CE1-CB 3.79Å; Y298-I349 HydrophobicContact CE1-CD1 4.24Å; Y298-I349 HydrophobicContact CE1-CG1 3.66Å; Y298-I349 HydrophobicContact CE2-CD1 4.3Å; Y298-I349 HydrophobicContact CE2-CG1 3.94Å; Y298-I349 HydrophobicContact CG-CD1 3.79Å; Y298-I349 HydrophobicContact CG-CG1 4.1Å; Y303-I349 HydrophobicContact CD2-CD1 4.3Å; Y303-I349 HydrophobicContact CG-CD1 3.96Å; I335-I349 HydrophobicContact CB-CG2 3.79Å; I335-I349 HydrophobicContact CG2-CG2 4.04Å; I335-I349 PolarHBondContact N-O 3.49Å; I335-I349 PolarHBondContact O-N 3.1Å; W343-I349 HydrophobicContact CH2-CB 3.76Å; W343-I349 HydrophobicContact CH2-CD1 4.01Å; W343-I349 HydrophobicContact CH2-CG1 4.45Å; W343-I349 HydrophobicContact CH2-CG2 3.95Å; W343-I349 HydrophobicContact CZ2-CD1 4.47Å; W343-I349 HydrophobicContact CZ3-CB 4.05Å; W343-I349 HydrophobicContact CZ3-CG2 4.27Å; I349-I351 HydrophobicContact CD1-CD1 4.35Å; I349-I351 HydrophobicContact CD1-CG1 3.95Å; I349-I351 HydrophobicContact CG1-CG1 3.91Å; I349-I351 HydrophobicContact CG2-CD1 4.41Å; I349-I351 HydrophobicContact CG2-CG1 4.22Å |
| 350 | K | 98.9 | Very high | 97.6 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.7 | 164.9 | -60.8 | 177.6 | -162 | 169.6 | 0 | 107.8 | I302 Y303 E327 Y332 W333 L334 E345 | I302-K350 HydrophobicContact CG1-CB 4.26Å; I302-K350 HydrophobicContact CG1-CD 4.38Å; Y303-K350 WeakPolarHBondContact CB-O 3.12Å; Y303-K350 PolarHBondContact N-O 3.15Å; E327-K350 IonicContact OE1-NZ 3.69Å; E327-K350 IonicContact OE2-NZ 3.82Å; E327-K350 PolarHBondContact OE2-NZ 3.08Å; Y332-K350 HydrophobicContact CD1-CD 4.21Å; Y332-K350 HydrophobicContact CD2-CB 3.92Å; Y332-K350 HydrophobicContact CD2-CD 4Å; Y332-K350 HydrophobicContact CD2-CG 3.74Å; Y332-K350 HydrophobicContact CE1-CD 4.26Å; Y332-K350 HydrophobicContact CE2-CD 4.08Å; Y332-K350 HydrophobicContact CE2-CG 4.06Å; Y332-K350 HydrophobicContact CG-CB 3.99Å; Y332-K350 HydrophobicContact CG-CD 4.09Å; Y332-K350 HydrophobicContact CG-CG 4.14Å; W333-K350 CarbonylContact O-C 2.85Å; W333-K350 VanDerWaalsContact O-CA 3.22Å; W333-K350 WeakPolarHBondContact O-CA 3.19Å; L334-K350 HydrophobicContact CD1-CG 4.46Å; E345-K350 IonicContact OE1-NZ 3.58Å |
| 351 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138.4 | 175.7 | -61.4 | -174.5 | 0 | 0 | 0 | 109.1 | I288 F295 Y303 Y332 W333 I335 I349 K353 M358 V361 | I288-I351 HydrophobicContact CD1-CD1 4.18Å; F295-I351 HydrophobicContact CE2-CD1 4.22Å; Y303-I351 HydrophobicContact CD1-CG1 4.46Å; Y332-I351 CarbonylContact C-O 3.58Å; Y332-I351 WeakPolarHBondContact CA-O 3.41Å; W333-I351 PolarHBondContact N-O 3.46Å; W333-I351 PolarHBondContact O-N 3.3Å; I335-I351 HydrophobicContact CD1-CB 4.23Å; I335-I351 HydrophobicContact CD1-CD1 3.63Å; I335-I351 HydrophobicContact CD1-CG1 3.95Å; I349-I351 HydrophobicContact CD1-CD1 4.35Å; I349-I351 HydrophobicContact CD1-CG1 3.95Å; I349-I351 HydrophobicContact CG1-CG1 3.91Å; I349-I351 HydrophobicContact CG2-CD1 4.41Å; I349-I351 HydrophobicContact CG2-CG1 4.22Å; I351-K353 PolarHBondContact O-N 3.4Å; I351-M358 HydrophobicContact CG2-CB 3.99Å; I351-M358 HydrophobicContact CG2-CG 3.61Å; I351-V361 HydrophobicContact CB-CG2 4.32Å; I351-V361 HydrophobicContact CD1-CG2 4.06Å; I351-V361 HydrophobicContact CG2-CG2 3.96Å |
| 352 | S | 98.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 126.4 | 179.1 | -159 | 0 | 0 | 0 | 0 | 111.7 | Y303 S355 M358 | Y303-S352 PolarHBondContact O-N 3.35Å; S352-S355 PolarHBondContact OG-OG 2.9Å; S352-M358 WeakPolarHBondContact O-CB 3.45Å |
| 353 | K | 97.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 13% | 0.13 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -105.6 | 137.2 | -179.3 | 172.1 | 176.6 | 66.4 | 63.4 | 0 | 110.3 | S331 W333 I351 S355 | S331-K353 WeakPolarHBondContact CB-O 3.27Å; S331-K353 PolarHBondContact O-N 3.44Å; S331-K353 PolarHBondContact OG-NZ 3.08Å; S331-K353 VanDerWaalsContact OG-NZ 3.09Å; W333-K353 HydrophobicContact CD2-CB 4.22Å; W333-K353 HydrophobicContact CD2-CD 3.78Å; W333-K353 HydrophobicContact CD2-CG 4.07Å; W333-K353 VanDerWaalsContact CE2-CG 3.47Å; W333-K353 HydrophobicContact CE3-CD 4Å; W333-K353 HydrophobicContact CG-CB 4.06Å; W333-K353 HydrophobicContact CG-CD 4.45Å; W333-K353 HydrophobicContact CG-CG 4.43Å; W333-K353 HydrophobicContact CH2-CD 3.76Å; W333-K353 HydrophobicContact CH2-CG 4.41Å; W333-K353 HydrophobicContact CZ2-CD 3.52Å; W333-K353 HydrophobicContact CZ2-CG 3.67Å; W333-K353 HydrophobicContact CZ3-CD 3.99Å; I351-K353 PolarHBondContact O-N 3.4Å; K353-S355 VanDerWaalsContact C-N 3.32Å |
| 354 | G | 95.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 61% | 0.608 | 17% | 0.173 | S | C | * | . | S | Bend | trans | 75.2 | 23.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E271 | E271-G354 PolarHBondContact OE1-N 3.22Å; E271-G354 VanDerWaalsContact OE2-CA 3.25Å; E271-G354 WeakPolarHBondContact OE2-CA 3.4Å; E271-G354 PolarHBondContact OE2-N 3.1Å |
| 355 | S | 94.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 32.3 Ų | 32.3 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -116.7 | 63 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | S352 K353 N357 M358 | S352-S355 PolarHBondContact OG-OG 2.9Å; K353-S355 VanDerWaalsContact C-N 3.32Å; S355-N357 VanDerWaalsContact C-N 3.32Å; S355-N357 PolarHBondContact O-N 2.97Å; S355-M358 PolarHBondContact O-N 3.44Å |
| 356 | H | 94.8 | Very high | 97.7 | Very high | 192 Ų | 192 | 29.5 Ų | 29.5 | 89% | 0.889 | 16% | 0.162 | S | C | * | . | S | Bend | trans | 55.7 | 41.8 | -177.7 | -56.5 | -75.9 | 0 | 0 | 0 | 113.5 | M358 | H356-M358 VanDerWaalsContact C-N 3.35Å; H356-M358 PolarHBondContact O-N 3.46Å |
| 357 | N | 97.4 | Very high | 97.7 | Very high | 19 Ų | 19 | 22.6 Ų | 22.6 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 53 | 51.1 | -179.5 | -173.3 | 29.7 | 0 | 0 | 0 | 112.4 | E271 S355 C359 G360 V361 A362 S363 | E271-N357 HydrophobicContact CG-CB 4.41Å; E271-N357 PolarHBondContact OE2-N 3.25Å; S355-N357 VanDerWaalsContact C-N 3.32Å; S355-N357 PolarHBondContact O-N 2.97Å; N357-C359 PolarHBondContact O-N 2.95Å; N357-G360 WeakPolarHBondContact O-CA 3.22Å; N357-G360 PolarHBondContact O-N 3.48Å; N357-V361 PolarHBondContact OD1-N 2.92Å; N357-A362 WeakPolarHBondContact OD1-CB 3.45Å; N357-A362 PolarHBondContact OD1-N 3.14Å; N357-S363 PolarHBondContact ND2-OG 3.39Å |
| 358 | M | 98.2 | Very high | 97.7 | Very high | 21 Ų | 21 | 22.6 Ų | 22.6 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -42.3 | 126.7 | -179.8 | -178.6 | 63.6 | 63.7 | 0 | 0 | 112.2 | C308 I351 S352 S355 H356 G360 V361 | C308-M358 HydrophobicContact CB-SD 4.06Å; I351-M358 HydrophobicContact CG2-CB 3.99Å; I351-M358 HydrophobicContact CG2-CG 3.61Å; S352-M358 WeakPolarHBondContact O-CB 3.45Å; S355-M358 PolarHBondContact O-N 3.44Å; H356-M358 VanDerWaalsContact C-N 3.35Å; H356-M358 PolarHBondContact O-N 3.46Å; M358-G360 PolarHBondContact O-N 3.38Å; M358-V361 WeakPolarHBondContact O-CG2 3.2Å; M358-V361 PolarHBondContact O-N 2.84Å |
| 359 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | 55.7 | 9.2 | -175.6 | -54.2 | 0 | 0 | 0 | 0 | 115.9 | I288 N289 Y303 C308 E309 N357 | I288-C359 CarbonylContact C-O 3.57Å; I288-C359 VanDerWaalsContact CA-O 3.23Å; I288-C359 WeakPolarHBondContact CA-O 3.48Å; I288-C359 HydrophobicContact CB-CB 4.36Å; N289-C359 PolarHBondContact N-O 3.38Å; Y303-C359 WeakPolarHBondContact CE1-SG 3.24Å; C308-C359 HydrophobicContact CB-CB 4.22Å; C308-C359 WeakPolarHBondContact CB-SG 3.37Å; C308-C359 PolarHBondContact O-N 3.39Å; C308-C359 VanDerWaalsContact O-N 3.09Å; C308-C359 WeakPolarHBondContact SG-CA 3.33Å; C308-C359 WeakPolarHBondContact SG-CB 3.39Å; C308-C359 CovalentContact SG-SG 2.04Å; C308-C359 PolarHBondContact SG-SG 3.01Å; E309-C359 CarbonylContact O-C 3.58Å; N357-C359 PolarHBondContact O-N 2.95Å |
| 360 | G | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | 77.2 | 25.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A287 G310 N357 M358 A362 S363 | A287-G360 VanDerWaalsContact O-O 3.13Å; G310-G360 VanDerWaalsContact CA-CA 3.48Å; G310-G360 VanDerWaalsContact CA-N 3.26Å; N357-G360 WeakPolarHBondContact O-CA 3.22Å; N357-G360 PolarHBondContact O-N 3.48Å; M358-G360 PolarHBondContact O-N 3.38Å; G360-A362 PolarHBondContact O-N 3.46Å; G360-S363 VanDerWaalsContact CA-OG 3.32Å; G360-S363 WeakPolarHBondContact CA-OG 3.14Å; G360-S363 VanDerWaalsContact O-CB 3.3Å; G360-S363 WeakPolarHBondContact O-CB 3.24Å; G360-S363 PolarHBondContact O-N 3.37Å; G360-S363 PolarHBondContact O-OG 3.48Å |
| 361 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -32.9 | -178.1 | 173.7 | 0 | 0 | 0 | 0 | 113.3 | L274 V286 I288 V321 W333 I335 I351 N357 M358 | L274-V361 HydrophobicContact CD2-CG1 3.77Å; V286-V361 WeakPolarHBondContact CB-O 3.2Å; V286-V361 WeakPolarHBondContact CG1-O 3.26Å; I288-V361 HydrophobicContact CG2-CB 4.41Å; I288-V361 HydrophobicContact CG2-CG2 3.75Å; V321-V361 HydrophobicContact CG2-CG1 4.03Å; W333-V361 HydrophobicContact CB-CG1 4.33Å; W333-V361 HydrophobicContact CD2-CG1 4.1Å; W333-V361 HydrophobicContact CG-CG1 3.75Å; I335-V361 HydrophobicContact CD1-CG1 4.25Å; I335-V361 HydrophobicContact CD1-CG2 3.94Å; I351-V361 HydrophobicContact CB-CG2 4.32Å; I351-V361 HydrophobicContact CD1-CG2 4.06Å; I351-V361 HydrophobicContact CG2-CG2 3.96Å; N357-V361 PolarHBondContact OD1-N 2.92Å; M358-V361 WeakPolarHBondContact O-CG2 3.2Å; M358-V361 PolarHBondContact O-N 2.84Å |
| 362 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 4.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G269 E271 L274 N357 G360 | G269-A362 PolarHBondContact N-O 3.31Å; E271-A362 HydrophobicContact CB-CB 4.48Å; E271-A362 HydrophobicContact CG-CB 3.87Å; L274-A362 HydrophobicContact CB-CB 4.37Å; L274-A362 HydrophobicContact CD2-CB 3.98Å; N357-A362 WeakPolarHBondContact OD1-CB 3.45Å; N357-A362 PolarHBondContact OD1-N 3.14Å; G360-A362 PolarHBondContact O-N 3.46Å |
| 363 | S | 96.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -38.6 | -175.4 | -59 | 0 | 0 | 0 | 0 | 112.6 | G310 N357 G360 | G310-S363 PolarHBondContact O-OG 2.91Å; N357-S363 PolarHBondContact ND2-OG 3.39Å; G360-S363 VanDerWaalsContact CA-OG 3.32Å; G360-S363 WeakPolarHBondContact CA-OG 3.14Å; G360-S363 VanDerWaalsContact O-CB 3.3Å; G360-S363 WeakPolarHBondContact O-CB 3.24Å; G360-S363 PolarHBondContact O-N 3.37Å; G360-S363 PolarHBondContact O-OG 3.48Å |
| 364 | A | 96 | Very high | 97.1 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 76.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y126 V286 A287 L312 L315 | Y126-A364 WeakPolarHBondContact OH-CB 3.47Å; V286-A364 WeakPolarHBondContact CA-O 3.42Å; A287-A364 HydrophobicContact CB-CB 4.09Å; A287-A364 PolarHBondContact N-O 3.47Å; A287-A364 VanDerWaalsContact N-O 3.11Å; L312-A364 HydrophobicContact CD2-CB 4.24Å; L315-A364 HydrophobicContact CD1-CB 3.7Å |
| 365 | A | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I266 L274 V284 S285 V286 | I266-A365 HydrophobicContact CB-CB 4.02Å; I266-A365 HydrophobicContact CD1-CB 4.08Å; I266-A365 HydrophobicContact CG1-CB 4.37Å; I266-A365 PolarHBondContact N-O 3.44Å; L274-A365 HydrophobicContact CD1-CB 3.99Å; V284-A365 HydrophobicContact CG1-CB 4.23Å; S285-A365 WeakPolarHBondContact O-CA 3.09Å; V286-A365 HydrophobicContact CG1-CB 3.69Å |
| 366 | S | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 158.3 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | N218 V264 V284 S285 | N218-S366 VanDerWaalsContact OD1-CB 3.29Å; N218-S366 WeakPolarHBondContact OD1-CB 3.14Å; N218-S366 PolarHBondContact OD1-OG 3.42Å; V264-S366 WeakPolarHBondContact O-CA 3.39Å; V264-S366 VanDerWaalsContact O-CB 3.29Å; V264-S366 WeakPolarHBondContact O-CB 3.37Å; V284-S366 WeakPolarHBondContact CG1-O 3.43Å; S285-S366 WeakPolarHBondContact CB-O 3.46Å; S285-S366 PolarHBondContact N-O 2.91Å; S285-S366 PolarHBondContact O-N 3.18Å |
| 367 | Y | 98.5 | Very high | 97.6 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 5% | 0.047 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.7 | 173.8 | 65.8 | -92.5 | 0 | 0 | 0 | 111.1 | F140 Y263 V264 A277 K281 V284 L369 | F140-Y367 AromaticContact CD2-CE1 3.97Å; F140-Y367 HydrophobicContact CD2-CE1 3.97Å; F140-Y367 HydrophobicContact CE2-CE1 4.49Å; Y263-Y367 CarbonylContact C-O 3.09Å; Y263-Y367 VanDerWaalsContact CA-O 3.26Å; Y263-Y367 WeakPolarHBondContact CA-O 3.29Å; Y263-Y367 WeakPolarHBondContact CB-O 2.98Å; V264-Y367 HydrophobicContact CB-CD1 4.21Å; V264-Y367 HydrophobicContact CB-CD2 4.45Å; V264-Y367 HydrophobicContact CB-CE1 3.67Å; V264-Y367 HydrophobicContact CB-CE2 3.91Å; V264-Y367 VanDerWaalsContact CB-CZ 3.48Å; V264-Y367 HydrophobicContact CG1-CE1 4.03Å; V264-Y367 HydrophobicContact CG2-CD2 4.3Å; V264-Y367 HydrophobicContact CG2-CE1 4.19Å; V264-Y367 HydrophobicContact CG2-CE2 3.54Å; V264-Y367 VanDerWaalsContact CG2-CZ 3.47Å; V264-Y367 WeakPolarHBondContact CG2-OH 3.39Å; V264-Y367 PolarHBondContact N-O 3.23Å; V264-Y367 PolarHBondContact O-N 3.12Å; A277-Y367 HydrophobicContact CB-CD1 4.42Å; A277-Y367 HydrophobicContact CB-CE1 4.13Å; K281-Y367 HydrophobicContact CB-CD2 4.49Å; K281-Y367 HydrophobicContact CB-CE1 4.44Å; K281-Y367 HydrophobicContact CB-CE2 4.17Å; K281-Y367 HydrophobicContact CG-CE1 4.18Å; K281-Y367 HydrophobicContact CG-CE2 4.19Å; V284-Y367 HydrophobicContact CG2-CD1 4.41Å; Y367-L369 HydrophobicContact CE2-CD2 4.01Å |
| 368 | P | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 156.7 | 178.5 | 30.3 | -31.6 | 0 | 0 | 0 | 111.6 | A180 I181 Q184 F221 V260 G262 | A180-P368 HydrophobicContact CB-CG 4.22Å; I181-P368 HydrophobicContact CB-CG 4.31Å; I181-P368 HydrophobicContact CG1-CB 4.13Å; I181-P368 HydrophobicContact CG1-CG 3.72Å; Q184-P368 HydrophobicContact CB-CG 4.3Å; Q184-P368 HydrophobicContact CG-CG 3.91Å; Q184-P368 WeakPolarHBondContact CG-O 3.2Å; F221-P368 HydrophobicContact CD1-CB 3.77Å; F221-P368 HydrophobicContact CD1-CG 4.18Å; F221-P368 HydrophobicContact CE1-CB 3.87Å; F221-P368 HydrophobicContact CE1-CG 3.75Å; F221-P368 HydrophobicContact CG-CB 4.22Å; F221-P368 HydrophobicContact CZ-CB 4.38Å; F221-P368 HydrophobicContact CZ-CG 4.17Å; V260-P368 HydrophobicContact CG1-CB 3.99Å; V260-P368 HydrophobicContact CG2-CB 3.97Å; G262-P368 CarbonylContact O-C 3.52Å; G262-P368 WeakPolarHBondContact O-CA 3.41Å |
| 369 | L | 98.2 | Very high | 97.5 | Very high | 67 Ų | 67 | 12.3 Ų | 12.3 | 35% | 0.351 | 7% | 0.073 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.7 | 167.3 | -62.6 | 174.6 | 0 | 0 | 0 | 107.8 | V260 T261 G262 V264 Y367 | V260-L369 CarbonylContact C-O 3.54Å; V260-L369 WeakPolarHBondContact CA-O 3.12Å; T261-L369 PolarHBondContact N-O 3.02Å; T261-L369 PolarHBondContact OG1-O 3.13Å; G262-L369 PolarHBondContact O-N 2.75Å; V264-L369 HydrophobicContact CG2-CD1 4.09Å; V264-L369 HydrophobicContact CG2-CD2 3.65Å; V264-L369 HydrophobicContact CG2-CG 3.9Å; Y367-L369 HydrophobicContact CE2-CD2 4.01Å |
| 370 | V | 93.4 | Very high | 97.4 | Very high | 33 Ų | 33 | 13.5 Ų | 13.5 | 20% | 0.2 | 8% | 0.08 | C | C | . | . | trans | -108.7 | 0 | -175.1 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | I181 Q184 H185 K188 Q259 | I181-V370 HydrophobicContact CG2-CG2 4.3Å; Q184-V370 HydrophobicContact CB-CB 4.19Å; Q184-V370 HydrophobicContact CB-CG2 3.6Å; H185-V370 HydrophobicContact CB-CG1 4.15Å; K188-V370 HydrophobicContact CD-CG1 4Å; K188-V370 WeakPolarHBondContact CD-O 3.29Å; K188-V370 PolarHBondContact NZ-O 3.42Å; K188-V370 VanDerWaalsContact NZ-O 3.14Å; K188-V370 PolarHBondContact NZ-OXT 3.42Å; Q259-V370 WeakPolarHBondContact O-CG1 3.11Å |
Retrieved 370 of 370 residues in 75.4 ms
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