| 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 | 46.9 | Very low | 78.1 | Confident | 185 Ų | 185 | 81.4 Ų | 81.4 | 91% | 0.911 | 44% | 0.441 | S | S | * | . | 0 | -65.4 | 0 | -71.2 | -57.2 | -177 | 0 | 0 | 112.6 | T3 S4 L5 | M1-T3 PolarHBondContact O-N 2.8Å; M1-S4 WeakPolarHBondContact O-CB 3.47Å; M1-S4 PolarHBondContact O-N 3.43Å; M1-S4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.03Å | |||
| 2 | S | 48.3 | Very low | 79.2 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 42% | 0.42 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | -174.8 | 56 | 0 | 0 | 0 | 0 | 115 | S4 L5 K6 | S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact O-N 2.9Å; S2-L5 PolarHBondContact O-N 3.23Å; S2-K6 PolarHBondContact O-N 2.94Å |
| 3 | T | 56.3 | Low | 80.2 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 68% | 0.681 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 174.3 | 24.7 | 0 | 0 | 0 | 0 | 112.9 | M1 Q7 | M1-T3 PolarHBondContact O-N 2.8Å; T3-Q7 WeakPolarHBondContact O-CB 3.38Å; T3-Q7 PolarHBondContact O-N 3.21Å |
| 4 | S | 77.4 | Confident | 81 | Confident | 68 Ų | 68 | 74.3 Ų | 74.3 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 112 | M1 S2 Q7 A8 | M1-S4 WeakPolarHBondContact O-CB 3.47Å; M1-S4 PolarHBondContact O-N 3.43Å; M1-S4 VanDerWaalsContact O-N 3.12Å; S2-S4 VanDerWaalsContact C-N 3.32Å; S2-S4 PolarHBondContact O-N 2.9Å; S4-Q7 PolarHBondContact O-N 3.2Å; S4-A8 WeakPolarHBondContact O-CB 3.36Å; S4-A8 PolarHBondContact O-N 2.93Å |
| 5 | L | 87.8 | Confident | 81.6 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.9 | -66.6 | 177.8 | 0 | 0 | 0 | 112.4 | M1 S2 A8 L9 F18 V27 K28 V31 L57 | M1-L5 PolarHBondContact O-N 3.03Å; S2-L5 PolarHBondContact O-N 3.23Å; L5-A8 PolarHBondContact O-N 3.18Å; L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.37Å; L5-F18 HydrophobicContact CB-CZ 4.49Å; L5-V27 HydrophobicContact CD1-CG1 4.4Å; L5-V27 HydrophobicContact CD2-CG1 4.34Å; L5-K28 HydrophobicContact CD1-CG 3.86Å; L5-V31 HydrophobicContact CD2-CG2 4.11Å; L5-L57 HydrophobicContact CD2-CD1 3.57Å |
| 6 | K | 87.7 | Confident | 82.1 | Confident | 101 Ų | 101 | 78.6 Ų | 78.6 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.5 | -68.7 | -173.8 | 178.7 | -173 | 0 | 111.9 | S2 L9 K10 F18 E24 | S2-K6 PolarHBondContact O-N 2.94Å; K6-L9 PolarHBondContact O-N 3.19Å; K6-K10 PolarHBondContact O-N 2.89Å; K6-F18 HydrophobicContact CG-CE2 4.28Å; K6-E24 WeakPolarHBondContact CE-OE2 3.34Å; K6-E24 IonicContact NZ-OE2 2.73Å |
| 7 | Q | 87.8 | Confident | 82.5 | Confident | 143 Ų | 143 | 76.2 Ų | 76.2 | 67% | 0.668 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.5 | -45.3 | 174.1 | -171.9 | 178.1 | 10 | 0 | 0 | 112 | T3 S4 K10 S11 | T3-Q7 WeakPolarHBondContact O-CB 3.38Å; T3-Q7 PolarHBondContact O-N 3.21Å; S4-Q7 PolarHBondContact O-N 3.2Å; Q7-K10 PolarHBondContact O-N 3.15Å; Q7-S11 WeakPolarHBondContact O-CB 3.43Å; Q7-S11 PolarHBondContact O-N 3.38Å; Q7-S11 PolarHBondContact O-OG 3.1Å; Q7-S11 VanDerWaalsContact O-OG 3.12Å |
| 8 | A | 89.6 | Confident | 82.9 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S4 L5 S11 H12 L53 L57 | S4-A8 WeakPolarHBondContact O-CB 3.36Å; S4-A8 PolarHBondContact O-N 2.93Å; L5-A8 PolarHBondContact O-N 3.18Å; A8-S11 WeakPolarHBondContact CA-OG 3.44Å; A8-S11 PolarHBondContact O-N 2.64Å; A8-S11 PolarHBondContact O-OG 3.45Å; A8-H12 WeakPolarHBondContact O-CB 3.25Å; A8-H12 PolarHBondContact O-CD2 3.29Å; A8-H12 PolarHBondContact O-N 3.44Å; A8-L53 HydrophobicContact CB-CD1 4.02Å; A8-L57 HydrophobicContact CB-CD2 3.74Å; A8-L57 HydrophobicContact CB-CG 4.47Å |
| 9 | L | 93.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 173 | 178.2 | 64.9 | 0 | 0 | 0 | 110.9 | L5 K6 F13 G14 F15 F18 L49 L53 | L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 3.37Å; K6-L9 PolarHBondContact O-N 3.19Å; L9-F13 HydrophobicContact CD1-CB 4.36Å; L9-F13 WeakPolarHBondContact O-CA 3.46Å; L9-F13 WeakPolarHBondContact O-CB 2.88Å; L9-F13 PolarHBondContact O-N 2.82Å; L9-G14 PolarHBondContact O-N 3.25Å; L9-F15 HydrophobicContact CD1-CB 4.12Å; L9-F15 HydrophobicContact CD1-CD2 3.88Å; L9-F15 HydrophobicContact CD2-CB 4.27Å; L9-F15 HydrophobicContact CG-CB 3.99Å; L9-F18 HydrophobicContact CD1-CE1 4.47Å; L9-F18 HydrophobicContact CD2-CD1 4.09Å; L9-F18 HydrophobicContact CD2-CD2 4.12Å; L9-F18 HydrophobicContact CD2-CE1 4.02Å; L9-F18 HydrophobicContact CD2-CE2 4.04Å; L9-F18 HydrophobicContact CD2-CG 4.14Å; L9-F18 HydrophobicContact CD2-CZ 4Å; L9-L49 HydrophobicContact CD1-CD1 3.94Å; L9-L49 HydrophobicContact CD1-CD2 3.67Å; L9-L49 HydrophobicContact CD1-CG 4.32Å; L9-L53 HydrophobicContact CB-CD2 4.14Å; L9-L53 HydrophobicContact CD1-CD2 4.2Å |
| 10 | K | 92.6 | Very high | 83.4 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 53% | 0.53 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 178.9 | -173.3 | 161 | -179 | 158.7 | 0 | 112.6 | K6 Q7 G14 F15 D16 | K6-K10 PolarHBondContact O-N 2.89Å; Q7-K10 PolarHBondContact O-N 3.15Å; K10-G14 VanDerWaalsContact O-CA 3.31Å; K10-G14 WeakPolarHBondContact O-CA 3.23Å; K10-G14 PolarHBondContact O-N 3.35Å; K10-G14 VanDerWaalsContact O-N 3.15Å; K10-F15 WeakPolarHBondContact CA-O 3.47Å; K10-F15 PolarHBondContact N-O 3.29Å; K10-D16 VanDerWaalsContact CE-OD1 3.29Å; K10-D16 WeakPolarHBondContact CE-OD1 3.34Å; K10-D16 IonicContact NZ-OD1 3.46Å; K10-D16 PolarHBondContact NZ-OD1 3.02Å |
| 11 | S | 91.6 | Very high | 83.7 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 57% | 0.573 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -74.7 | -31.8 | -176.7 | 65.7 | 0 | 0 | 0 | 0 | 114.6 | Q7 A8 | Q7-S11 WeakPolarHBondContact O-CB 3.43Å; Q7-S11 PolarHBondContact O-N 3.38Å; Q7-S11 PolarHBondContact O-OG 3.1Å; Q7-S11 VanDerWaalsContact O-OG 3.12Å; A8-S11 WeakPolarHBondContact CA-OG 3.44Å; A8-S11 PolarHBondContact O-N 2.64Å; A8-S11 PolarHBondContact O-OG 3.45Å |
| 12 | H | 91.4 | Very high | 85.8 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 37% | 0.366 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -102.5 | -29.1 | -177.6 | -69 | -68.7 | 0 | 0 | 0 | 114.6 | A8 | A8-H12 WeakPolarHBondContact O-CB 3.25Å; A8-H12 PolarHBondContact O-CD2 3.29Å; A8-H12 PolarHBondContact O-N 3.44Å |
| 13 | F | 91.9 | Very high | 88 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 5% | 0.048 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -120.9 | -5.4 | -175.4 | -61 | -92.6 | 0 | 0 | 0 | 113.5 | L9 F15 L49 Q52 L53 V56 L79 L82 I84 | L9-F13 HydrophobicContact CD1-CB 4.36Å; L9-F13 WeakPolarHBondContact O-CA 3.46Å; L9-F13 WeakPolarHBondContact O-CB 2.88Å; L9-F13 PolarHBondContact O-N 2.82Å; F13-F15 VanDerWaalsContact C-N 3.26Å; F13-F15 HydrophobicContact CB-CD2 3.6Å; F13-F15 HydrophobicContact CB-CE2 3.74Å; F13-F15 PolarHBondContact O-N 3.15Å; F13-L49 HydrophobicContact CD1-CD1 3.9Å; F13-L49 HydrophobicContact CD2-CD1 4.06Å; F13-L49 HydrophobicContact CE1-CD1 4.07Å; F13-L49 HydrophobicContact CE2-CD1 4.24Å; F13-L49 HydrophobicContact CG-CD1 3.9Å; F13-L49 HydrophobicContact CZ-CD1 4.25Å; F13-Q52 HydrophobicContact CE1-CB 3.99Å; F13-Q52 HydrophobicContact CZ-CB 3.85Å; F13-L53 HydrophobicContact CD2-CD1 4.24Å; F13-L53 HydrophobicContact CE2-CB 4.03Å; F13-L53 HydrophobicContact CE2-CD1 3.89Å; F13-V56 HydrophobicContact CE2-CG2 4.43Å; F13-V56 HydrophobicContact CZ-CG2 4.24Å; F13-L79 HydrophobicContact CE1-CD2 4.26Å; F13-L82 HydrophobicContact CD1-CD1 3.63Å; F13-L82 HydrophobicContact CE1-CD1 4.13Å; F13-L82 HydrophobicContact CG-CD1 4.42Å; F13-I84 HydrophobicContact CE1-CD1 3.85Å; F13-I84 HydrophobicContact CE2-CD1 4.36Å; F13-I84 HydrophobicContact CZ-CD1 3.74Å |
| 14 | G | 90.9 | Very high | 89.8 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 57% | 0.567 | 34% | 0.339 | S | S | * | . | trans | 73.3 | 8.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L9 K10 | L9-G14 PolarHBondContact O-N 3.25Å; K10-G14 VanDerWaalsContact O-CA 3.31Å; K10-G14 WeakPolarHBondContact O-CA 3.23Å; K10-G14 PolarHBondContact O-N 3.35Å; K10-G14 VanDerWaalsContact O-N 3.15Å | ||
| 15 | F | 90.1 | Very high | 90.6 | Very high | 97 Ų | 97 | 63.3 Ų | 63.3 | 43% | 0.425 | 33% | 0.326 | S | S | . | . | trans | -92.6 | 134.2 | 180 | -53.6 | -56.6 | 0 | 0 | 0 | 111.8 | L9 K10 F13 G17 | L9-F15 HydrophobicContact CD1-CB 4.12Å; L9-F15 HydrophobicContact CD1-CD2 3.88Å; L9-F15 HydrophobicContact CD2-CB 4.27Å; L9-F15 HydrophobicContact CG-CB 3.99Å; K10-F15 WeakPolarHBondContact CA-O 3.47Å; K10-F15 PolarHBondContact N-O 3.29Å; F13-F15 VanDerWaalsContact C-N 3.26Å; F13-F15 HydrophobicContact CB-CD2 3.6Å; F13-F15 HydrophobicContact CB-CE2 3.74Å; F13-F15 PolarHBondContact O-N 3.15Å; F15-G17 VanDerWaalsContact C-N 3.32Å | ||
| 16 | D | 89.2 | Confident | 91 | Very high | 121 Ų | 121 | 62.7 Ų | 62.7 | 65% | 0.647 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73 | -21.8 | 176.8 | -69 | -62 | 0 | 0 | 0 | 114 | K10 | K10-D16 VanDerWaalsContact CE-OD1 3.29Å; K10-D16 WeakPolarHBondContact CE-OD1 3.34Å; K10-D16 IonicContact NZ-OD1 3.46Å; K10-D16 PolarHBondContact NZ-OD1 3.02Å |
| 17 | G | 90 | Very high | 91.3 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 38% | 0.381 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -162.7 | 168.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F15 | F15-G17 VanDerWaalsContact C-N 3.32Š|
| 18 | F | 89.8 | Confident | 91.6 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | trans | -73.7 | 152.5 | 172.5 | -64.8 | -81.2 | 0 | 0 | 0 | 110.7 | L5 K6 L9 S20 Q23 E24 V27 L49 L53 | L5-F18 HydrophobicContact CB-CZ 4.49Å; K6-F18 HydrophobicContact CG-CE2 4.28Å; L9-F18 HydrophobicContact CD1-CE1 4.47Å; L9-F18 HydrophobicContact CD2-CD1 4.09Å; L9-F18 HydrophobicContact CD2-CD2 4.12Å; L9-F18 HydrophobicContact CD2-CE1 4.02Å; L9-F18 HydrophobicContact CD2-CE2 4.04Å; L9-F18 HydrophobicContact CD2-CG 4.14Å; L9-F18 HydrophobicContact CD2-CZ 4Å; F18-S20 VanDerWaalsContact C-N 3.29Å; F18-S20 PolarHBondContact O-N 2.96Å; F18-Q23 HydrophobicContact CD1-CG 4.33Å; F18-E24 HydrophobicContact CB-CB 4.06Å; F18-E24 HydrophobicContact CD1-CB 4.36Å; F18-E24 HydrophobicContact CD2-CB 3.56Å; F18-E24 HydrophobicContact CD2-CG 3.48Å; F18-E24 VanDerWaalsContact CD2-CG 3.48Å; F18-E24 WeakPolarHBondContact CD2-OE2 3.4Å; F18-E24 HydrophobicContact CE2-CB 4.09Å; F18-E24 HydrophobicContact CE2-CG 3.57Å; F18-E24 HydrophobicContact CG-CB 3.72Å; F18-E24 HydrophobicContact CG-CG 4.15Å; F18-E24 HydrophobicContact CZ-CG 4.3Å; F18-V27 HydrophobicContact CE1-CB 4.25Å; F18-V27 HydrophobicContact CE1-CG1 4.32Å; F18-V27 HydrophobicContact CE1-CG2 3.98Å; F18-V27 HydrophobicContact CZ-CG1 4.3Å; F18-L49 HydrophobicContact CD1-CD2 4.18Å; F18-L49 HydrophobicContact CE1-CD2 4.3Å; F18-L53 HydrophobicContact CE1-CD2 3.94Å; F18-L53 HydrophobicContact CZ-CD2 3.92Å | ||
| 19 | R | 86.1 | Confident | 91.9 | Very high | 171 Ų | 171 | 54.7 Ų | 54.7 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -67.5 | -28.5 | 179.3 | -72.4 | -178.2 | 171.6 | -108.4 | -2.8 | 113.3 | G44 | R19-G44 PolarHBondContact NH1-O 3.3Š|
| 20 | S | 88.3 | Confident | 92 | Very high | 37 Ų | 37 | 55 Ų | 55 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -154.5 | 160.2 | 175.4 | 67.1 | 0 | 0 | 0 | 0 | 110.4 | F18 L22 Q23 E24 | F18-S20 VanDerWaalsContact C-N 3.29Å; F18-S20 PolarHBondContact O-N 2.96Å; S20-L22 PolarHBondContact O-N 3.35Å; S20-Q23 WeakPolarHBondContact O-CB 3.29Å; S20-Q23 PolarHBondContact O-N 2.99Å; S20-Q23 VanDerWaalsContact O-N 3.11Å; S20-Q23 PolarHBondContact OG-N 2.77Å; S20-E24 PolarHBondContact O-N 2.61Å |
| 21 | K | 90.9 | Very high | 92 | Very high | 141 Ų | 141 | 51.7 Ų | 51.7 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -55.9 | -41.3 | 172.7 | -174.8 | 178.5 | 177.4 | -176.3 | 0 | 111.4 | Q23 E24 D25 | K21-Q23 VanDerWaalsContact C-N 3.32Å; K21-Q23 PolarHBondContact O-N 2.74Å; K21-E24 WeakPolarHBondContact O-CB 3.38Å; K21-E24 PolarHBondContact O-N 3.24Å; K21-E24 VanDerWaalsContact O-N 3.12Å; K21-D25 PolarHBondContact O-N 3.19Å |
| 22 | L | 91.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 176.1 | -167 | 74 | 0 | 0 | 0 | 112.8 | S20 D25 V26 M41 F204 T206 L803 | S20-L22 PolarHBondContact O-N 3.35Å; L22-D25 PolarHBondContact O-N 3.42Å; L22-V26 WeakPolarHBondContact O-CG2 3.37Å; L22-V26 PolarHBondContact O-N 3.26Å; L22-M41 HydrophobicContact CB-CE 4.47Å; L22-M41 HydrophobicContact CD2-CE 3.79Å; L22-M41 HydrophobicContact CG-CE 3.77Å; L22-F204 HydrophobicContact CD1-CB 4.27Å; L22-F204 HydrophobicContact CD1-CD1 3.84Å; L22-T206 WeakPolarHBondContact CD2-OG1 3.48Å; L22-L803 HydrophobicContact CD1-CD1 4.38Å |
| 23 | Q | 93.4 | Very high | 92 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 175 | -167.7 | -168.9 | 36.8 | 0 | 0 | 111.5 | F18 S20 K21 D25 V27 G46 | F18-Q23 HydrophobicContact CD1-CG 4.33Å; S20-Q23 WeakPolarHBondContact O-CB 3.29Å; S20-Q23 PolarHBondContact O-N 2.99Å; S20-Q23 VanDerWaalsContact O-N 3.11Å; S20-Q23 PolarHBondContact OG-N 2.77Å; K21-Q23 VanDerWaalsContact C-N 3.32Å; K21-Q23 PolarHBondContact O-N 2.74Å; Q23-D25 VanDerWaalsContact C-N 3.34Å; Q23-V27 WeakPolarHBondContact O-CG2 3.48Å; Q23-V27 PolarHBondContact O-N 3.26Å; Q23-V27 VanDerWaalsContact O-N 3.1Å; Q23-G46 PolarHBondContact NE2-O 3.45Å |
| 24 | E | 94.3 | Very high | 91.8 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 175.5 | -172 | 178.6 | 133.7 | 0 | 0 | 111.2 | K6 F18 S20 K21 V27 K28 | K6-E24 WeakPolarHBondContact CE-OE2 3.34Å; K6-E24 IonicContact NZ-OE2 2.73Å; F18-E24 HydrophobicContact CB-CB 4.06Å; F18-E24 HydrophobicContact CD1-CB 4.36Å; F18-E24 HydrophobicContact CD2-CB 3.56Å; F18-E24 HydrophobicContact CD2-CG 3.48Å; F18-E24 VanDerWaalsContact CD2-CG 3.48Å; F18-E24 WeakPolarHBondContact CD2-OE2 3.4Å; F18-E24 HydrophobicContact CE2-CB 4.09Å; F18-E24 HydrophobicContact CE2-CG 3.57Å; F18-E24 HydrophobicContact CG-CB 3.72Å; F18-E24 HydrophobicContact CG-CG 4.15Å; F18-E24 HydrophobicContact CZ-CG 4.3Å; S20-E24 PolarHBondContact O-N 2.61Å; K21-E24 WeakPolarHBondContact O-CB 3.38Å; K21-E24 PolarHBondContact O-N 3.24Å; K21-E24 VanDerWaalsContact O-N 3.12Å; E24-V27 PolarHBondContact O-N 3.25Å; E24-K28 WeakPolarHBondContact O-CG 3.23Å; E24-K28 PolarHBondContact O-N 3.3Å; E24-K28 WeakPolarHBondContact OE1-CE 3.49Å; E24-K28 IonicContact OE1-NZ 3.34Å; E24-K28 PolarHBondContact OE1-NZ 3.01Å |
| 25 | D | 94.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.7 | -34.7 | -177.7 | -66.6 | -21.8 | 0 | 0 | 0 | 112.8 | K21 L22 Q23 K28 A29 F204 | K21-D25 PolarHBondContact O-N 3.19Å; L22-D25 PolarHBondContact O-N 3.42Å; Q23-D25 VanDerWaalsContact C-N 3.34Å; D25-K28 PolarHBondContact O-N 2.91Å; D25-K28 IonicContact OD1-NZ 3.7Å; D25-K28 PolarHBondContact OD1-NZ 3Å; D25-A29 WeakPolarHBondContact O-CB 3.39Å; D25-A29 PolarHBondContact O-N 3.16Å; D25-F204 HydrophobicContact CB-CE1 4.29Å |
| 26 | V | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 167.8 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | L22 K28 A29 V30 V37 V39 M41 C50 F204 | L22-V26 WeakPolarHBondContact O-CG2 3.37Å; L22-V26 PolarHBondContact O-N 3.26Å; V26-K28 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 3.49Å; V26-A29 WeakPolarHBondContact O-CB 3.41Å; V26-A29 PolarHBondContact O-N 3.41Å; V26-V30 HydrophobicContact CG1-CG2 4.37Å; V26-V30 WeakPolarHBondContact O-CG2 3.47Å; V26-V30 PolarHBondContact O-N 3.39Å; V26-V37 HydrophobicContact CG1-CG1 4.49Å; V26-V39 HydrophobicContact CG1-CG2 3.65Å; V26-V39 HydrophobicContact CG2-CG2 4.07Å; V26-M41 HydrophobicContact CB-CE 4.38Å; V26-M41 HydrophobicContact CG2-CE 3.64Å; V26-C50 HydrophobicContact CG1-CB 3.65Å; V26-F204 HydrophobicContact CG2-CB 3.65Å; V26-F204 HydrophobicContact CG2-CD1 3.78Å; V26-F204 HydrophobicContact CG2-CD2 3.56Å; V26-F204 HydrophobicContact CG2-CE1 4.26Å; V26-F204 HydrophobicContact CG2-CE2 4.05Å; V26-F204 HydrophobicContact CG2-CG 3.39Å; V26-F204 HydrophobicContact CG2-CZ 4.38Å |
| 27 | V | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 177.5 | 166.9 | 0 | 0 | 0 | 0 | 110.8 | L5 F18 Q23 E24 A29 V30 V31 L53 P54 | L5-V27 HydrophobicContact CD1-CG1 4.4Å; L5-V27 HydrophobicContact CD2-CG1 4.34Å; F18-V27 HydrophobicContact CE1-CB 4.25Å; F18-V27 HydrophobicContact CE1-CG1 4.32Å; F18-V27 HydrophobicContact CE1-CG2 3.98Å; F18-V27 HydrophobicContact CZ-CG1 4.3Å; Q23-V27 WeakPolarHBondContact O-CG2 3.48Å; Q23-V27 PolarHBondContact O-N 3.26Å; Q23-V27 VanDerWaalsContact O-N 3.1Å; E24-V27 PolarHBondContact O-N 3.25Å; V27-A29 PolarHBondContact O-N 3.16Å; V27-V30 PolarHBondContact O-N 2.96Å; V27-V31 HydrophobicContact CG1-CG2 4.27Å; V27-V31 WeakPolarHBondContact O-CB 3.44Å; V27-V31 VanDerWaalsContact O-CG2 3.28Å; V27-V31 WeakPolarHBondContact O-CG2 3.38Å; V27-V31 PolarHBondContact O-N 2.96Å; V27-L53 HydrophobicContact CG1-CD2 4.01Å; V27-L53 HydrophobicContact CG1-CG 4.45Å; V27-P54 HydrophobicContact CG1-CG 4.38Å |
| 28 | K | 94.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 34% | 0.339 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58 | -46.8 | 173.7 | -70.3 | 168.6 | -170.9 | 146.3 | 0 | 111.6 | L5 E24 D25 V26 V30 V31 S32 | L5-K28 HydrophobicContact CD1-CG 3.86Å; E24-K28 WeakPolarHBondContact O-CG 3.23Å; E24-K28 PolarHBondContact O-N 3.3Å; E24-K28 WeakPolarHBondContact OE1-CE 3.49Å; E24-K28 IonicContact OE1-NZ 3.34Å; E24-K28 PolarHBondContact OE1-NZ 3.01Å; D25-K28 PolarHBondContact O-N 2.91Å; D25-K28 IonicContact OD1-NZ 3.7Å; D25-K28 PolarHBondContact OD1-NZ 3Å; V26-K28 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 3.49Å; K28-V30 PolarHBondContact O-N 3.1Å; K28-V31 PolarHBondContact O-N 3.04Å; K28-S32 PolarHBondContact O-N 3.18Å |
| 29 | A | 94.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | D25 V26 V27 S32 V37 M202 F204 | D25-A29 WeakPolarHBondContact O-CB 3.39Å; D25-A29 PolarHBondContact O-N 3.16Å; V26-A29 WeakPolarHBondContact O-CB 3.41Å; V26-A29 PolarHBondContact O-N 3.41Å; V27-A29 PolarHBondContact O-N 3.16Å; A29-S32 PolarHBondContact O-N 3.28Å; A29-S32 PolarHBondContact O-OG 3.43Å; A29-V37 HydrophobicContact CB-CG2 4.19Å; A29-M202 HydrophobicContact CB-CE 3.6Å; A29-M202 HydrophobicContact CB-SD 4.12Å; A29-F204 HydrophobicContact CB-CE2 3.9Å; A29-F204 HydrophobicContact CB-CZ 3.86Å |
| 30 | V | 95 | Very high | 93.4 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.5 | -43.3 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | V26 V27 K28 S32 G33 V37 P54 Y142 L178 | V26-V30 HydrophobicContact CG1-CG2 4.37Å; V26-V30 WeakPolarHBondContact O-CG2 3.47Å; V26-V30 PolarHBondContact O-N 3.39Å; V27-V30 PolarHBondContact O-N 2.96Å; K28-V30 PolarHBondContact O-N 3.1Å; V30-S32 VanDerWaalsContact C-N 3.27Å; V30-S32 PolarHBondContact O-N 2.6Å; V30-G33 PolarHBondContact O-N 3.01Å; V30-G33 VanDerWaalsContact O-N 3.1Å; V30-V37 HydrophobicContact CG2-CB 4.41Å; V30-V37 HydrophobicContact CG2-CG1 4.49Å; V30-V37 HydrophobicContact CG2-CG2 4.16Å; V30-P54 HydrophobicContact CB-CB 4.36Å; V30-P54 HydrophobicContact CB-CG 3.96Å; V30-P54 HydrophobicContact CG1-CB 3.65Å; V30-P54 HydrophobicContact CG1-CG 3.69Å; V30-Y142 HydrophobicContact CG1-CD1 4.16Å; V30-Y142 HydrophobicContact CG1-CE1 4.01Å; V30-Y142 HydrophobicContact CG1-CG 4.48Å; V30-Y142 VanDerWaalsContact O-CE1 3.22Å; V30-Y142 WeakPolarHBondContact O-CE1 3.41Å; V30-Y142 PolarHBondContact O-OH 3.14Å; V30-L178 HydrophobicContact CG2-CD1 3.92Å; V30-L178 HydrophobicContact CG2-CD2 3.97Å; V30-L178 HydrophobicContact CG2-CG 4.41Å |
| 31 | V | 93.9 | Very high | 93.5 | Very high | 51 Ų | 51 | 33.9 Ų | 33.9 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.6 | -35.1 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | L5 V27 K28 G33 P54 L57 | L5-V31 HydrophobicContact CD2-CG2 4.11Å; V27-V31 HydrophobicContact CG1-CG2 4.27Å; V27-V31 WeakPolarHBondContact O-CB 3.44Å; V27-V31 VanDerWaalsContact O-CG2 3.28Å; V27-V31 WeakPolarHBondContact O-CG2 3.38Å; V27-V31 PolarHBondContact O-N 2.96Å; K28-V31 PolarHBondContact O-N 3.04Å; V31-G33 PolarHBondContact O-N 3.12Å; V31-P54 HydrophobicContact CG2-CB 3.9Å; V31-P54 HydrophobicContact CG2-CG 3.93Å; V31-L57 HydrophobicContact CG2-CD1 4.17Å |
| 32 | S | 92.3 | Very high | 93 | Very high | 54 Ų | 54 | 28.2 Ų | 28.2 | 38% | 0.378 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.1 | -30.3 | 175.5 | 82.9 | 0 | 0 | 0 | 0 | 113.4 | K28 A29 V30 Q34 | K28-S32 PolarHBondContact O-N 3.18Å; A29-S32 PolarHBondContact O-N 3.28Å; A29-S32 PolarHBondContact O-OG 3.43Å; V30-S32 VanDerWaalsContact C-N 3.27Å; V30-S32 PolarHBondContact O-N 2.6Å; S32-Q34 WeakPolarHBondContact O-CG 3.32Å; S32-Q34 PolarHBondContact O-N 3.32Å; S32-Q34 VanDerWaalsContact O-N 3.12Å; S32-Q34 PolarHBondContact OG-N 3.42Å |
| 33 | G | 89.1 | Confident | 92.3 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | trans | 63.9 | 7.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | V30 V31 P176 | V30-G33 PolarHBondContact O-N 3.01Å; V30-G33 VanDerWaalsContact O-N 3.1Å; V31-G33 PolarHBondContact O-N 3.12Å; G33-P176 WeakPolarHBondContact O-CG 3.33Å | ||
| 34 | Q | 88.3 | Confident | 91.2 | Very high | 165 Ų | 165 | 30.8 Ų | 30.8 | 77% | 0.771 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -80.6 | -34.5 | -169.5 | -63.4 | -178 | 1.2 | 0 | 0 | 114.4 | S32 | S32-Q34 WeakPolarHBondContact O-CG 3.32Å; S32-Q34 PolarHBondContact O-N 3.32Å; S32-Q34 VanDerWaalsContact O-N 3.12Å; S32-Q34 PolarHBondContact OG-N 3.42Å |
| 35 | R | 92.2 | Very high | 90.6 | Very high | 81 Ų | 81 | 30.6 Ų | 30.6 | 31% | 0.306 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -129 | 161.5 | -178.8 | -59.5 | -167.7 | -91.3 | -175.8 | -5 | 110.6 | M202 E799 | R35-M202 HydrophobicContact CB-CE 3.87Å; R35-M202 HydrophobicContact CB-CG 4.28Å; R35-M202 HydrophobicContact CG-CE 4.33Å; R35-M202 PolarHBondContact NE-SD 2.98Å; R35-M202 PolarHBondContact NH2-SD 3.46Å; R35-M202 VanDerWaalsContact NH2-SD 3.41Å; R35-E799 IonicContact CZ-OE2 3.29Å; R35-E799 IonicContact NH1-OE2 2.8Å; R35-E799 PolarHBondContact NH1-OE2 3.46Å; R35-E799 IonicContact NH2-OE2 3.78Å; R35-E799 PolarHBondContact NH2-OE2 3.47Å |
| 36 | D | 95.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | trans | -66.7 | 161.3 | 161.5 | -73.1 | -7.6 | 0 | 0 | 0 | 109.1 | R169 C177 L198 R199 P201 M202 | D36-R169 IonicContact OD1-CZ 3.52Å; D36-R169 IonicContact OD1-NH2 3.66Å; D36-R169 PolarHBondContact OD1-NH2 2.95Å; D36-R169 IonicContact OD2-CZ 3.89Å; D36-R169 IonicContact OD2-NE 2.64Å; D36-R169 PolarHBondContact OD2-NE 3.47Å; D36-R169 IonicContact OD2-NH2 2.74Å; D36-R169 PolarHBondContact OD2-NH2 2.93Å; D36-C177 CarbonylContact C-O 3.49Å; D36-C177 VanDerWaalsContact CA-O 3.26Å; D36-C177 WeakPolarHBondContact CA-O 3.33Å; D36-C177 HydrophobicContact CB-CB 4.48Å; D36-C177 WeakPolarHBondContact CB-O 3.46Å; D36-C177 PolarHBondContact OD1-N 3.15Å; D36-L198 HydrophobicContact CB-CB 4.23Å; D36-L198 WeakPolarHBondContact OD2-CA 3.44Å; D36-R199 PolarHBondContact OD2-N 3.42Å; D36-P201 HydrophobicContact CB-CB 4.29Å; D36-P201 CarbonylContact O-C 3.48Å; D36-P201 WeakPolarHBondContact O-CA 3.49Å; D36-M202 PolarHBondContact O-N 2.96Å | ||
| 37 | V | 97 | Very high | 89.9 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.7 | -175.4 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | V26 A29 V30 V39 C177 L178 A179 M202 F204 | V26-V37 HydrophobicContact CG1-CG1 4.49Å; A29-V37 HydrophobicContact CB-CG2 4.19Å; V30-V37 HydrophobicContact CG2-CB 4.41Å; V30-V37 HydrophobicContact CG2-CG1 4.49Å; V30-V37 HydrophobicContact CG2-CG2 4.16Å; V37-V39 HydrophobicContact CG1-CG2 3.9Å; V37-C177 PolarHBondContact N-O 3.12Å; V37-L178 HydrophobicContact CB-CD1 3.6Å; V37-L178 HydrophobicContact CG1-CD1 3.56Å; V37-L178 CarbonylContact O-C 3.53Å; V37-L178 VanDerWaalsContact O-CA 3.32Å; V37-L178 WeakPolarHBondContact O-CA 3.26Å; V37-A179 PolarHBondContact O-N 3.36Å; V37-M202 WeakPolarHBondContact CA-O 3.44Å; V37-M202 HydrophobicContact CG2-CE 4.31Å; V37-F204 HydrophobicContact CG1-CD2 3.83Å; V37-F204 HydrophobicContact CG1-CE2 3.86Å |
| 38 | F | 97 | Very high | 89.8 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.1 | 172.2 | 174.4 | -108.9 | 0 | 0 | 0 | 109.9 | C40 A179 T181 Q189 I192 P201 M202 F204 V205 | F38-C40 HydrophobicContact CE1-CB 3.9Å; F38-C40 HydrophobicContact CZ-CB 3.92Å; F38-A179 HydrophobicContact CD2-CB 4.14Å; F38-T181 HydrophobicContact CE2-CG2 4.13Å; F38-T181 HydrophobicContact CZ-CG2 4.06Å; F38-Q189 HydrophobicContact CE1-CB 3.97Å; F38-Q189 HydrophobicContact CE1-CG 3.9Å; F38-Q189 HydrophobicContact CZ-CB 3.99Å; F38-Q189 HydrophobicContact CZ-CG 3.84Å; F38-I192 HydrophobicContact CD2-CG2 4.07Å; F38-I192 HydrophobicContact CE2-CB 4.35Å; F38-I192 HydrophobicContact CE2-CD1 3.9Å; F38-I192 HydrophobicContact CE2-CG2 3.92Å; F38-I192 HydrophobicContact CZ-CD1 4.33Å; F38-P201 HydrophobicContact CB-CB 4.42Å; F38-M202 PolarHBondContact N-O 3.18Å; F38-F204 PolarHBondContact O-N 3.39Å; F38-V205 HydrophobicContact CE1-CG2 4.37Å |
| 39 | V | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 113.1 | -174.8 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | V26 V37 M41 L178 A179 L180 T181 | V26-V39 HydrophobicContact CG1-CG2 3.65Å; V26-V39 HydrophobicContact CG2-CG2 4.07Å; V37-V39 HydrophobicContact CG1-CG2 3.9Å; V39-M41 HydrophobicContact CG1-CB 4.45Å; V39-M41 HydrophobicContact CG1-CE 3.85Å; V39-M41 HydrophobicContact CG1-CG 3.63Å; V39-M41 HydrophobicContact CG1-SD 3.89Å; V39-L178 HydrophobicContact CG2-CD1 3.59Å; V39-A179 PolarHBondContact N-O 3.26Å; V39-L180 HydrophobicContact CB-CD2 4.39Å; V39-L180 HydrophobicContact CB-CG 4.34Å; V39-L180 HydrophobicContact CG1-CD2 4.49Å; V39-L180 CarbonylContact O-C 3.41Å; V39-L180 WeakPolarHBondContact O-CA 3.35Å; V39-T181 PolarHBondContact O-N 3.42Å |
| 40 | C | 92.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 98.3 | 170.6 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | F38 T181 F204 V205 T206 | F38-C40 HydrophobicContact CE1-CB 3.9Å; F38-C40 HydrophobicContact CZ-CB 3.92Å; C40-T181 HydrophobicContact CB-CG2 4.09Å; C40-F204 PolarHBondContact N-O 2.86Å; C40-V205 HydrophobicContact CB-CB 4.48Å; C40-V205 HydrophobicContact CB-CG1 4.19Å; C40-V205 HydrophobicContact CB-CG2 4.18Å; C40-V205 WeakPolarHBondContact O-CA 3.34Å; C40-T206 PolarHBondContact O-N 3.18Å |
| 41 | M | 89 | Confident | 89.8 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | trans | -134.8 | 143.7 | 180 | -57.9 | -178.5 | 177.3 | 0 | 0 | 110.1 | L22 V26 V39 A45 K47 T181 A182 T206 | L22-M41 HydrophobicContact CB-CE 4.47Å; L22-M41 HydrophobicContact CD2-CE 3.79Å; L22-M41 HydrophobicContact CG-CE 3.77Å; V26-M41 HydrophobicContact CB-CE 4.38Å; V26-M41 HydrophobicContact CG2-CE 3.64Å; V39-M41 HydrophobicContact CG1-CB 4.45Å; V39-M41 HydrophobicContact CG1-CE 3.85Å; V39-M41 HydrophobicContact CG1-CG 3.63Å; V39-M41 HydrophobicContact CG1-SD 3.89Å; M41-A45 HydrophobicContact CB-CB 3.93Å; M41-A45 HydrophobicContact SD-CB 4.5Å; M41-K47 HydrophobicContact CB-CD 4.25Å; M41-K47 HydrophobicContact CB-CG 3.93Å; M41-K47 WeakPolarHBondContact O-CD 3.24Å; M41-K47 PolarHBondContact O-NZ 2.7Å; M41-K47 HydrophobicContact SD-CG 4.49Å; M41-T181 PolarHBondContact N-O 3.25Å; M41-A182 CarbonylContact C-O 3.56Å; M41-A182 VanDerWaalsContact C-O 3.24Å; M41-A182 CarbonylContact O-C 3.59Å; M41-A182 VanDerWaalsContact O-CA 3.29Å; M41-A182 WeakPolarHBondContact O-CA 3.37Å; M41-T206 WeakPolarHBondContact CG-OG1 3.42Å | ||
| 42 | P | 80.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | trans | -58.1 | 158.7 | -178.9 | 21.4 | -31.6 | 0 | 0 | 0 | 113.8 | G44 A45 K47 T206 | P42-G44 PolarHBondContact O-N 2.89Å; P42-A45 HydrophobicContact CG-CB 4.24Å; P42-A45 VanDerWaalsContact O-CB 3.23Å; P42-A45 WeakPolarHBondContact O-CB 3.32Å; P42-A45 PolarHBondContact O-N 3.18Å; P42-A45 VanDerWaalsContact O-N 3.16Å; P42-K47 PolarHBondContact O-NZ 3.43Å; P42-K47 VanDerWaalsContact O-NZ 3.08Å; P42-T206 HydrophobicContact CG-CG2 4.38Å | ||
| 43 | T | 76.2 | Confident | 90.1 | Very high | 45 Ų | 45 | 23.8 Ų | 23.8 | 28% | 0.276 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 130.2 | 177.3 | -45.9 | 0 | 0 | 0 | 0 | 110.1 | A182 | T43-A182 VanDerWaalsContact OG1-CB 3.31Å; T43-A182 WeakPolarHBondContact OG1-CB 3.47Å |
| 44 | G | 71.8 | Confident | 90.4 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 24% | 0.237 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | -17.8 | -169 | 0 | 0 | 0 | 0 | 0 | 114.4 | R19 P42 G46 | R19-G44 PolarHBondContact NH1-O 3.3Å; P42-G44 PolarHBondContact O-N 2.89Å; G44-G46 PolarHBondContact O-N 3.1Å |
| 45 | A | 80.6 | Confident | 90.7 | Very high | 25 Ų | 25 | 14.6 Ų | 14.6 | 21% | 0.207 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -69.3 | 4.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M41 P42 | M41-A45 HydrophobicContact CB-CB 3.93Å; M41-A45 HydrophobicContact SD-CB 4.5Å; P42-A45 HydrophobicContact CG-CB 4.24Å; P42-A45 VanDerWaalsContact O-CB 3.23Å; P42-A45 WeakPolarHBondContact O-CB 3.32Å; P42-A45 PolarHBondContact O-N 3.18Å; P42-A45 VanDerWaalsContact O-N 3.16Å |
| 46 | G | 84.8 | Confident | 90.8 | Very high | 20 Ų | 20 | 11.8 Ų | 11.8 | 21% | 0.206 | 8% | 0.082 | C | C | . | . | trans | 78.5 | 28.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q23 G44 S48 L49 | Q23-G46 PolarHBondContact NE2-O 3.45Å; G44-G46 PolarHBondContact O-N 3.1Å; G46-S48 PolarHBondContact O-N 3.15Å; G46-S48 VanDerWaalsContact O-N 3.15Å; G46-L49 WeakPolarHBondContact O-CB 3.35Å; G46-L49 PolarHBondContact O-N 3.35Å; G46-L49 VanDerWaalsContact O-N 3.07Å | ||
| 47 | K | 91 | Very high | 90.7 | Very high | 18 Ų | 18 | 15 Ų | 15 | 8% | 0.078 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -38 | 176.1 | -72.8 | -168.5 | -67.1 | -71.3 | 0 | 114.4 | M41 P42 L49 C50 L180 T181 | M41-K47 HydrophobicContact CB-CD 4.25Å; M41-K47 HydrophobicContact CB-CG 3.93Å; M41-K47 WeakPolarHBondContact O-CD 3.24Å; M41-K47 PolarHBondContact O-NZ 2.7Å; M41-K47 HydrophobicContact SD-CG 4.49Å; P42-K47 PolarHBondContact O-NZ 3.43Å; P42-K47 VanDerWaalsContact O-NZ 3.08Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 2.94Å; K47-C50 VanDerWaalsContact O-CB 3.23Å; K47-C50 WeakPolarHBondContact O-CB 3.31Å; K47-C50 PolarHBondContact O-N 2.98Å; K47-L180 HydrophobicContact CB-CD2 4.06Å; K47-L180 HydrophobicContact CD-CB 4.47Å; K47-L180 VanDerWaalsContact O-CD2 3.32Å; K47-L180 WeakPolarHBondContact O-CD2 3.37Å; K47-T181 VanDerWaalsContact CD-O 3.32Å; K47-T181 WeakPolarHBondContact CD-O 3.29Å |
| 48 | S | 92.7 | Very high | 90.4 | Very high | 33 Ų | 33 | 15.6 Ų | 15.6 | 23% | 0.231 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -37.6 | -179.3 | -54 | 0 | 0 | 0 | 0 | 112.8 | G46 C50 Y51 Q52 Q75 | G46-S48 PolarHBondContact O-N 3.15Å; G46-S48 VanDerWaalsContact O-N 3.15Å; S48-C50 PolarHBondContact O-N 2.77Å; S48-Y51 PolarHBondContact O-N 3.46Å; S48-Q52 WeakPolarHBondContact O-CB 3.32Å; S48-Q52 VanDerWaalsContact O-CG 3.23Å; S48-Q52 WeakPolarHBondContact O-CG 3.34Å; S48-Q52 PolarHBondContact O-N 2.93Å; S48-Q75 PolarHBondContact OG-OE1 3.06Å; S48-Q75 VanDerWaalsContact OG-OE1 3.04Å |
| 49 | L | 94 | Very high | 90 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -31.7 | 179.3 | -169.5 | 69.4 | 0 | 0 | 0 | 111.8 | L9 F13 F18 G46 K47 Y51 Q52 L53 | L9-L49 HydrophobicContact CD1-CD1 3.94Å; L9-L49 HydrophobicContact CD1-CD2 3.67Å; L9-L49 HydrophobicContact CD1-CG 4.32Å; F13-L49 HydrophobicContact CD1-CD1 3.9Å; F13-L49 HydrophobicContact CD2-CD1 4.06Å; F13-L49 HydrophobicContact CE1-CD1 4.07Å; F13-L49 HydrophobicContact CE2-CD1 4.24Å; F13-L49 HydrophobicContact CG-CD1 3.9Å; F13-L49 HydrophobicContact CZ-CD1 4.25Å; F18-L49 HydrophobicContact CD1-CD2 4.18Å; F18-L49 HydrophobicContact CE1-CD2 4.3Å; G46-L49 WeakPolarHBondContact O-CB 3.35Å; G46-L49 PolarHBondContact O-N 3.35Å; G46-L49 VanDerWaalsContact O-N 3.07Å; K47-L49 VanDerWaalsContact C-N 3.29Å; K47-L49 PolarHBondContact O-N 2.94Å; L49-Y51 PolarHBondContact O-N 2.74Å; L49-Y51 VanDerWaalsContact O-N 3.12Å; L49-Q52 PolarHBondContact O-N 3.35Å; L49-L53 HydrophobicContact CD1-CB 4.09Å; L49-L53 HydrophobicContact CG-CB 4.37Å; L49-L53 PolarHBondContact O-N 3.15Å |
| 50 | C | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.9 | -19.3 | 179 | -58 | 0 | 0 | 0 | 0 | 114.1 | V26 K47 S48 P54 L180 | V26-C50 HydrophobicContact CG1-CB 3.65Å; K47-C50 VanDerWaalsContact O-CB 3.23Å; K47-C50 WeakPolarHBondContact O-CB 3.31Å; K47-C50 PolarHBondContact O-N 2.98Å; S48-C50 PolarHBondContact O-N 2.77Å; C50-P54 WeakPolarHBondContact O-CG 3.41Å; C50-L180 HydrophobicContact CB-CD2 4.32Å |
| 51 | Y | 95.6 | Very high | 90 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -116 | -28.5 | 169.9 | 64.2 | -102.8 | 0 | 0 | 0 | 113.5 | S48 L49 A55 V64 L114 Y116 A144 L180 | S48-Y51 PolarHBondContact O-N 3.46Å; L49-Y51 PolarHBondContact O-N 2.74Å; L49-Y51 VanDerWaalsContact O-N 3.12Å; Y51-A55 WeakPolarHBondContact O-CB 3.37Å; Y51-A55 PolarHBondContact O-N 3.21Å; Y51-V64 HydrophobicContact CD2-CG1 4.45Å; Y51-V64 HydrophobicContact CD2-CG2 3.82Å; Y51-V64 HydrophobicContact CE2-CB 4.44Å; Y51-V64 HydrophobicContact CE2-CG1 3.84Å; Y51-V64 HydrophobicContact CE2-CG2 3.72Å; Y51-L114 HydrophobicContact CD2-CD2 4.33Å; Y51-L114 HydrophobicContact CE2-CD2 4.4Å; Y51-Y116 HydrophobicContact CE2-CE1 4.42Å; Y51-Y116 WeakPolarHBondContact CE2-OH 3.42Å; Y51-Y116 PolarHBondContact OH-OH 2.96Å; Y51-Y116 VanDerWaalsContact OH-OH 3.07Å; Y51-A144 HydrophobicContact CD1-CB 4.38Å; Y51-A144 HydrophobicContact CD2-CB 4.48Å; Y51-A144 HydrophobicContact CG-CB 4.09Å; Y51-L180 HydrophobicContact CD1-CD1 3.77Å; Y51-L180 HydrophobicContact CD1-CD2 3.93Å; Y51-L180 HydrophobicContact CE1-CD1 4.22Å; Y51-L180 HydrophobicContact CE1-CD2 4.4Å |
| 52 | Q | 96.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -44.5 | 180 | -72.4 | 166.2 | -15.6 | 0 | 0 | 112.7 | F13 S48 L49 A55 V56 L79 L114 Y116 | F13-Q52 HydrophobicContact CE1-CB 3.99Å; F13-Q52 HydrophobicContact CZ-CB 3.85Å; S48-Q52 WeakPolarHBondContact O-CB 3.32Å; S48-Q52 VanDerWaalsContact O-CG 3.23Å; S48-Q52 WeakPolarHBondContact O-CG 3.34Å; S48-Q52 PolarHBondContact O-N 2.93Å; L49-Q52 PolarHBondContact O-N 3.35Å; Q52-A55 PolarHBondContact O-N 3.01Å; Q52-V56 WeakPolarHBondContact O-CG2 3.22Å; Q52-V56 PolarHBondContact O-N 3.27Å; Q52-V56 VanDerWaalsContact O-N 3.15Å; Q52-L79 HydrophobicContact CG-CD1 4.44Å; Q52-L79 HydrophobicContact CG-CD2 4.21Å; Q52-L114 HydrophobicContact CG-CD2 3.96Å; Q52-Y116 PolarHBondContact NE2-OH 2.83Å |
| 53 | L | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.6 | -47.4 | 179.3 | 176.3 | 61 | 0 | 0 | 0 | 112.2 | A8 L9 F13 F18 V27 L49 A55 V56 L57 | A8-L53 HydrophobicContact CB-CD1 4.02Å; L9-L53 HydrophobicContact CB-CD2 4.14Å; L9-L53 HydrophobicContact CD1-CD2 4.2Å; F13-L53 HydrophobicContact CD2-CD1 4.24Å; F13-L53 HydrophobicContact CE2-CB 4.03Å; F13-L53 HydrophobicContact CE2-CD1 3.89Å; F18-L53 HydrophobicContact CE1-CD2 3.94Å; F18-L53 HydrophobicContact CZ-CD2 3.92Å; V27-L53 HydrophobicContact CG1-CD2 4.01Å; V27-L53 HydrophobicContact CG1-CG 4.45Å; L49-L53 HydrophobicContact CD1-CB 4.09Å; L49-L53 HydrophobicContact CG-CB 4.37Å; L49-L53 PolarHBondContact O-N 3.15Å; L53-A55 VanDerWaalsContact C-N 3.29Å; L53-A55 PolarHBondContact O-N 2.67Å; L53-V56 PolarHBondContact O-N 3.01Å; L53-L57 HydrophobicContact CD1-CD1 4.14Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.18Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.1Å |
| 54 | P | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -37.3 | 171.6 | -24.3 | 33.4 | 0 | 0 | 0 | 113.5 | V27 V30 V31 C50 V56 L57 A58 Y142 | V27-P54 HydrophobicContact CG1-CG 4.38Å; V30-P54 HydrophobicContact CB-CB 4.36Å; V30-P54 HydrophobicContact CB-CG 3.96Å; V30-P54 HydrophobicContact CG1-CB 3.65Å; V30-P54 HydrophobicContact CG1-CG 3.69Å; V31-P54 HydrophobicContact CG2-CB 3.9Å; V31-P54 HydrophobicContact CG2-CG 3.93Å; C50-P54 WeakPolarHBondContact O-CG 3.41Å; P54-V56 VanDerWaalsContact C-N 3.33Å; P54-V56 PolarHBondContact O-N 2.97Å; P54-L57 PolarHBondContact O-N 3.43Å; P54-A58 WeakPolarHBondContact O-CB 3.31Å; P54-A58 PolarHBondContact O-N 2.96Å; P54-Y142 HydrophobicContact CB-CD2 4.39Å; P54-Y142 HydrophobicContact CB-CE2 3.78Å |
| 55 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -31.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y51 Q52 L53 T62 L114 | Y51-A55 WeakPolarHBondContact O-CB 3.37Å; Y51-A55 PolarHBondContact O-N 3.21Å; Q52-A55 PolarHBondContact O-N 3.01Å; L53-A55 VanDerWaalsContact C-N 3.29Å; L53-A55 PolarHBondContact O-N 2.67Å; A55-T62 WeakPolarHBondContact CA-OG1 3.45Å; A55-T62 HydrophobicContact CB-CG2 4.1Å; A55-T62 WeakPolarHBondContact CB-OG1 3.45Å; A55-L114 HydrophobicContact CB-CD1 3.92Å; A55-L114 HydrophobicContact CB-CD2 4.02Å; A55-L114 HydrophobicContact CB-CG 3.8Å |
| 56 | V | 93.9 | Very high | 94 | Very high | 22 Ų | 22 | 18 Ų | 18 | 13% | 0.133 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -74.3 | -38.9 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | F13 Q52 L53 P54 I84 | F13-V56 HydrophobicContact CE2-CG2 4.43Å; F13-V56 HydrophobicContact CZ-CG2 4.24Å; Q52-V56 WeakPolarHBondContact O-CG2 3.22Å; Q52-V56 PolarHBondContact O-N 3.27Å; Q52-V56 VanDerWaalsContact O-N 3.15Å; L53-V56 PolarHBondContact O-N 3.01Å; P54-V56 VanDerWaalsContact C-N 3.33Å; P54-V56 PolarHBondContact O-N 2.97Å; V56-I84 HydrophobicContact CG2-CD1 3.95Å; V56-I84 HydrophobicContact CG2-CG1 4.2Å; V56-I84 HydrophobicContact CG2-CG2 3.91Å |
| 57 | L | 92.8 | Very high | 94.1 | Very high | 70 Ų | 70 | 17.8 Ų | 17.8 | 37% | 0.366 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -72.4 | -35.9 | -179.8 | -69.8 | 171.5 | 0 | 0 | 0 | 113.7 | L5 A8 V31 L53 P54 | L5-L57 HydrophobicContact CD2-CD1 3.57Å; A8-L57 HydrophobicContact CB-CD2 3.74Å; A8-L57 HydrophobicContact CB-CG 4.47Å; V31-L57 HydrophobicContact CG2-CD1 4.17Å; L53-L57 HydrophobicContact CD1-CD1 4.14Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.18Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.1Å; P54-L57 PolarHBondContact O-N 3.43Å |
| 58 | A | 91.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 18 Ų | 18 | 13% | 0.132 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -69.9 | 148.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | P54 G60 K113 Y142 | P54-A58 WeakPolarHBondContact O-CB 3.31Å; P54-A58 PolarHBondContact O-N 2.96Å; A58-G60 PolarHBondContact O-N 3.5Å; A58-K113 PolarHBondContact O-NZ 2.94Å; A58-Y142 HydrophobicContact CB-CD2 4.45Å; A58-Y142 HydrophobicContact CB-CE2 3.74Å |
| 59 | E | 89 | Confident | 93.4 | Very high | 158 Ų | 158 | 18.1 Ų | 18.1 | 74% | 0.738 | 10% | 0.096 | S | C | * | . | S | Bend | trans | -67.3 | -37.9 | -178.9 | -64 | -166.4 | 161.7 | 0 | 0 | 113.1 | K113 | E59-K113 VanDerWaalsContact C-NZ 3.35Å; E59-K113 PolarHBondContact O-NZ 3.26Å |
| 60 | G | 91.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 10% | 0.103 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -86.9 | -154.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | A58 L139 S141 | A58-G60 PolarHBondContact O-N 3.5Å; G60-L139 WeakPolarHBondContact CA-O 3.43Å; G60-S141 VanDerWaalsContact CA-OG 3.28Å; G60-S141 WeakPolarHBondContact CA-OG 3.28Å; G60-S141 PolarHBondContact N-OG 3.3Å |
| 61 | I | 95.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.2 | -178.9 | -65.4 | 147.8 | 0 | 0 | 0 | 109.9 | L105 P110 L112 K113 L115 L134 L139 S141 | I61-L105 HydrophobicContact CD1-CD2 3.61Å; I61-L105 HydrophobicContact CG1-CD2 4.48Å; I61-P110 HydrophobicContact CD1-CB 3.74Å; I61-P110 HydrophobicContact CD1-CG 3.8Å; I61-P110 HydrophobicContact CG1-CB 4.44Å; I61-L112 VanDerWaalsContact CG1-O 3.24Å; I61-L112 WeakPolarHBondContact CG1-O 3.43Å; I61-K113 WeakPolarHBondContact CA-O 3.13Å; I61-L115 HydrophobicContact CG2-CB 4.29Å; I61-L134 HydrophobicContact CD1-CD2 3.55Å; I61-L139 PolarHBondContact N-O 2.65Å; I61-S141 PolarHBondContact O-N 3.01Å |
| 62 | T | 97.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.3 | 165.6 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | A55 V64 K113 L115 Y142 | A55-T62 WeakPolarHBondContact CA-OG1 3.45Å; A55-T62 HydrophobicContact CB-CG2 4.1Å; A55-T62 WeakPolarHBondContact CB-OG1 3.45Å; T62-V64 HydrophobicContact CG2-CG2 4.04Å; T62-K113 PolarHBondContact N-O 3.13Å; T62-L115 PolarHBondContact O-N 2.94Å; T62-Y142 WeakPolarHBondContact OG1-CD2 3.48Å |
| 63 | L | 97.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.9 | 174.6 | -172.3 | 68.6 | 0 | 0 | 0 | 109.2 | L115 I117 V122 F127 L131 L140 Y142 L143 A144 | L63-L115 HydrophobicContact CD1-CB 4.19Å; L63-L115 HydrophobicContact CD1-CD2 3.76Å; L63-L115 HydrophobicContact CD1-CG 3.97Å; L63-I117 HydrophobicContact CD1-CB 4.42Å; L63-I117 HydrophobicContact CD1-CG2 3.71Å; L63-I117 HydrophobicContact CG-CG2 4.11Å; L63-V122 HydrophobicContact CD2-CG2 4.02Å; L63-F127 HydrophobicContact CD1-CE1 4.4Å; L63-F127 HydrophobicContact CD1-CZ 4.33Å; L63-L131 HydrophobicContact CD2-CD1 4.07Å; L63-L140 HydrophobicContact CB-CD1 3.79Å; L63-Y142 PolarHBondContact N-O 2.88Å; L63-L143 HydrophobicContact CB-CD1 4.25Å; L63-L143 HydrophobicContact CD2-CD1 4Å; L63-L143 HydrophobicContact CG-CD1 4.3Å; L63-A144 PolarHBondContact O-N 3.07Å |
| 64 | V | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114.7 | 179.8 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | Y51 T62 L114 L115 Y116 I117 A144 | Y51-V64 HydrophobicContact CD2-CG1 4.45Å; Y51-V64 HydrophobicContact CD2-CG2 3.82Å; Y51-V64 HydrophobicContact CE2-CB 4.44Å; Y51-V64 HydrophobicContact CE2-CG1 3.84Å; Y51-V64 HydrophobicContact CE2-CG2 3.72Å; T62-V64 HydrophobicContact CG2-CG2 4.04Å; V64-L114 HydrophobicContact CG2-CD2 4.27Å; V64-L115 PolarHBondContact N-O 2.58Å; V64-Y116 HydrophobicContact CB-CD1 3.82Å; V64-Y116 HydrophobicContact CB-CE1 3.95Å; V64-Y116 HydrophobicContact CB-CG 4.15Å; V64-Y116 HydrophobicContact CG1-CD1 3.73Å; V64-Y116 HydrophobicContact CG1-CE1 3.55Å; V64-Y116 HydrophobicContact CG2-CE1 4.4Å; V64-Y116 HydrophobicContact CG2-CE2 4.47Å; V64-Y116 CarbonylContact O-C 3.54Å; V64-Y116 VanDerWaalsContact O-CA 3.29Å; V64-Y116 WeakPolarHBondContact O-CA 3.13Å; V64-I117 PolarHBondContact O-N 3.12Å; V64-A144 WeakPolarHBondContact CA-O 3.4Å; V64-A144 HydrophobicContact CB-CB 4.49Å; V64-A144 HydrophobicContact CG1-CB 4.26Å; V64-A144 HydrophobicContact CG2-CB 4.26Å |
| 65 | I | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.7 | 176.4 | -55.5 | 175.3 | 0 | 0 | 0 | 108.3 | I117 P119 V122 L143 A144 D146 L165 L168 | I65-I117 WeakPolarHBondContact CA-O 3.24Å; I65-I117 HydrophobicContact CG1-CG2 3.95Å; I65-P119 HydrophobicContact CG2-CB 4.24Å; I65-V122 HydrophobicContact CD1-CG1 3.92Å; I65-V122 HydrophobicContact CD1-CG2 4.44Å; I65-V122 HydrophobicContact CG1-CG1 4.31Å; I65-L143 HydrophobicContact CD1-CD1 3.74Å; I65-L143 HydrophobicContact CG1-CD1 4.2Å; I65-A144 PolarHBondContact N-O 2.95Å; I65-D146 WeakPolarHBondContact O-CB 3.41Å; I65-D146 PolarHBondContact O-N 3.02Å; I65-L165 HydrophobicContact CD1-CD1 4.09Å; I65-L165 HydrophobicContact CD1-CD2 3.66Å; I65-L165 HydrophobicContact CD1-CG 4.45Å; I65-L165 HydrophobicContact CG2-CD1 3.95Å; I65-L165 HydrophobicContact CG2-CD2 4.46Å; I65-L168 HydrophobicContact CD1-CD2 3.93Å |
| 66 | S | 94.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | trans | -140.7 | 149.2 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | L68 I117 D146 | S66-L68 PolarHBondContact O-N 2.89Å; S66-I117 PolarHBondContact N-O 3.41Å; S66-I117 VanDerWaalsContact N-O 3.15Å; S66-D146 PolarHBondContact OG-OD2 3.33Å | ||
| 67 | P | 87.5 | Confident | 90 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -81.6 | -16.6 | -170.9 | 9.2 | 4 | 0 | 0 | 0 | 113.5 | E147 Y162 | P67-E147 HydrophobicContact CG-CB 3.97Å; P67-E147 HydrophobicContact CG-CG 4.4Å; P67-Y162 HydrophobicContact CB-CE2 3.93Å; P67-Y162 WeakPolarHBondContact CD-OH 3.22Å; P67-Y162 HydrophobicContact CG-CE2 4.04Å; P67-Y162 VanDerWaalsContact CG-OH 3.31Å; P67-Y162 WeakPolarHBondContact CG-OH 3.41Å |
| 68 | L | 83.8 | Confident | 89.9 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 12% | 0.115 | 17% | 0.171 | C | C | . | . | trans | -124.3 | 104.7 | -152.6 | -63.3 | 170.4 | 0 | 0 | 0 | 111.5 | S66 A70 L71 I72 M309 | S66-L68 PolarHBondContact O-N 2.89Å; L68-A70 PolarHBondContact O-N 3.5Å; L68-A70 VanDerWaalsContact O-N 3.12Å; L68-L71 HydrophobicContact CB-CB 4.06Å; L68-L71 PolarHBondContact O-N 3.04Å; L68-L71 VanDerWaalsContact O-N 3.13Å; L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 3.42Å; L68-M309 HydrophobicContact CD1-CB 3.98Å; L68-M309 HydrophobicContact CD1-CG 3.67Å; L68-M309 HydrophobicContact CD1-SD 3.44Å; L68-M309 WeakPolarHBondContact CD1-SD 3.35Å; L68-M309 HydrophobicContact CD2-CE 4.22Å; L68-M309 HydrophobicContact CD2-SD 3.4Å; L68-M309 WeakPolarHBondContact CD2-SD 3.48Å; L68-M309 HydrophobicContact CG-SD 4.02Å | ||
| 69 | I | 84.1 | Confident | 90 | Very high | 36 Ų | 36 | 31 Ų | 31 | 19% | 0.185 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -33.4 | -175.6 | -55.7 | 177.4 | 0 | 0 | 0 | 112.8 | Q73 N90 K92 T118 | I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 PolarHBondContact O-N 3.12Å; I69-N90 HydrophobicContact CD1-CB 4.13Å; I69-N90 HydrophobicContact CG1-CB 4.07Å; I69-N90 HydrophobicContact CG2-CB 4.37Å; I69-K92 HydrophobicContact CD1-CD 4.43Å; I69-K92 HydrophobicContact CD1-CG 4.29Å; I69-K92 HydrophobicContact CG2-CD 4.31Å; I69-T118 HydrophobicContact CG1-CG2 4.09Å |
| 70 | A | 76.8 | Confident | 90.2 | Very high | 58 Ų | 58 | 28.1 Ų | 28.1 | 48% | 0.479 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66 | -54.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L68 I72 Q73 D74 | L68-A70 PolarHBondContact O-N 3.5Å; L68-A70 VanDerWaalsContact O-N 3.12Å; A70-I72 VanDerWaalsContact C-N 3.28Å; A70-I72 PolarHBondContact O-N 3.15Å; A70-Q73 WeakPolarHBondContact O-CA 3.48Å; A70-Q73 WeakPolarHBondContact O-CB 3.46Å; A70-Q73 PolarHBondContact O-N 3.35Å; A70-D74 VanDerWaalsContact O-CG 3.27Å; A70-D74 PolarHBondContact O-N 2.91Å |
| 71 | L | 82.1 | Confident | 90.3 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 177.3 | -178.6 | 65.2 | 0 | 0 | 0 | 112.1 | L68 Q73 D74 Q75 | L68-L71 HydrophobicContact CB-CB 4.06Å; L68-L71 PolarHBondContact O-N 3.04Å; L68-L71 VanDerWaalsContact O-N 3.13Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 3.49Å; L71-D74 PolarHBondContact O-N 3.39Å; L71-Q75 HydrophobicContact CD1-CG 4.5Å; L71-Q75 VanDerWaalsContact O-CG 3.29Å; L71-Q75 WeakPolarHBondContact O-CG 3.4Å; L71-Q75 PolarHBondContact O-N 3.43Å |
| 72 | I | 88.5 | Confident | 90.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 173.4 | -71.6 | 169.2 | 0 | 0 | 0 | 111.3 | L68 A70 V76 Y116 T118 | L68-I72 WeakPolarHBondContact O-CG1 3.44Å; L68-I72 PolarHBondContact O-N 3.42Å; A70-I72 VanDerWaalsContact C-N 3.28Å; A70-I72 PolarHBondContact O-N 3.15Å; I72-V76 HydrophobicContact CG2-CG2 4.4Å; I72-V76 VanDerWaalsContact O-CB 3.3Å; I72-V76 WeakPolarHBondContact O-CB 3.49Å; I72-V76 VanDerWaalsContact O-CG2 3.26Å; I72-V76 WeakPolarHBondContact O-CG2 3.32Å; I72-V76 PolarHBondContact O-N 3.29Å; I72-Y116 HydrophobicContact CG1-CD1 4.17Å; I72-Y116 HydrophobicContact CG2-CD1 4.37Å; I72-Y116 HydrophobicContact CG2-CG 4.16Å; I72-T118 HydrophobicContact CD1-CG2 3.72Å |
| 73 | Q | 85.3 | Confident | 90 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 34% | 0.341 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 179.6 | -169.5 | 65.2 | 45.2 | 0 | 0 | 110.8 | I69 A70 L71 Q75 V76 D77 | I69-Q73 WeakPolarHBondContact O-CB 3.49Å; I69-Q73 PolarHBondContact O-N 3.12Å; A70-Q73 WeakPolarHBondContact O-CA 3.48Å; A70-Q73 WeakPolarHBondContact O-CB 3.46Å; A70-Q73 PolarHBondContact O-N 3.35Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 3.49Å; Q73-Q75 VanDerWaalsContact C-N 3.33Å; Q73-Q75 PolarHBondContact O-N 3.01Å; Q73-V76 PolarHBondContact O-N 3.39Å; Q73-D77 VanDerWaalsContact NE2-CG 3.26Å; Q73-D77 PolarHBondContact NE2-OD1 3.45Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.12Å; Q73-D77 PolarHBondContact NE2-OD2 3.37Å; Q73-D77 PolarHBondContact O-N 3.14Å |
| 74 | D | 84.3 | Confident | 89.9 | Confident | 66 Ų | 66 | 44.6 Ų | 44.6 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 178.8 | -55.6 | -30.1 | 0 | 0 | 0 | 111.2 | A70 L71 H78 G310 | A70-D74 VanDerWaalsContact O-CG 3.27Å; A70-D74 PolarHBondContact O-N 2.91Å; L71-D74 PolarHBondContact O-N 3.39Å; D74-H78 WeakPolarHBondContact O-CB 3.45Å; D74-H78 PolarHBondContact O-N 3.26Å; D74-H78 VanDerWaalsContact O-N 3.12Å; D74-G310 WeakPolarHBondContact OD2-CA 3.43Å |
| 75 | Q | 90.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 176.6 | -67.5 | -64.4 | -69.9 | 0 | 0 | 112.8 | S48 L71 Q73 L79 Y116 | S48-Q75 PolarHBondContact OG-OE1 3.06Å; S48-Q75 VanDerWaalsContact OG-OE1 3.04Å; L71-Q75 HydrophobicContact CD1-CG 4.5Å; L71-Q75 VanDerWaalsContact O-CG 3.29Å; L71-Q75 WeakPolarHBondContact O-CG 3.4Å; L71-Q75 PolarHBondContact O-N 3.43Å; Q73-Q75 VanDerWaalsContact C-N 3.33Å; Q73-Q75 PolarHBondContact O-N 3.01Å; Q75-L79 WeakPolarHBondContact O-CB 3.27Å; Q75-L79 VanDerWaalsContact O-CG 3.25Å; Q75-L79 WeakPolarHBondContact O-CG 3.5Å; Q75-L79 PolarHBondContact O-N 3.2Å; Q75-Y116 HydrophobicContact CB-CE1 4.09Å; Q75-Y116 HydrophobicContact CG-CE1 4.49Å |
| 76 | V | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.6 | -36.8 | -179.5 | 163.5 | 0 | 0 | 0 | 0 | 111.7 | I72 Q73 K80 Y116 | I72-V76 HydrophobicContact CG2-CG2 4.4Å; I72-V76 VanDerWaalsContact O-CB 3.3Å; I72-V76 WeakPolarHBondContact O-CB 3.49Å; I72-V76 VanDerWaalsContact O-CG2 3.26Å; I72-V76 WeakPolarHBondContact O-CG2 3.32Å; I72-V76 PolarHBondContact O-N 3.29Å; Q73-V76 PolarHBondContact O-N 3.39Å; V76-K80 HydrophobicContact CG1-CD 4.45Å; V76-K80 VanDerWaalsContact CG1-CE 3.45Å; V76-K80 VanDerWaalsContact O-CG 3.31Å; V76-K80 WeakPolarHBondContact O-CG 3.45Å; V76-K80 PolarHBondContact O-N 2.93Å; V76-K80 VanDerWaalsContact O-N 3.09Å; V76-Y116 HydrophobicContact CG2-CD2 3.46Å; V76-Y116 VanDerWaalsContact CG2-CD2 3.46Å; V76-Y116 HydrophobicContact CG2-CE2 4Å; V76-Y116 HydrophobicContact CG2-CG 3.99Å |
| 77 | D | 90 | Very high | 89.9 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -74 | -40.9 | 178.9 | -68.1 | -23.1 | 0 | 0 | 0 | 111.4 | Q73 L79 K80 E81 | Q73-D77 VanDerWaalsContact NE2-CG 3.26Å; Q73-D77 PolarHBondContact NE2-OD1 3.45Å; Q73-D77 VanDerWaalsContact NE2-OD1 3.12Å; Q73-D77 PolarHBondContact NE2-OD2 3.37Å; Q73-D77 PolarHBondContact O-N 3.14Å; D77-L79 VanDerWaalsContact C-N 3.33Å; D77-L79 PolarHBondContact O-N 2.67Å; D77-K80 WeakPolarHBondContact O-CB 3.46Å; D77-K80 PolarHBondContact O-N 3.38Å; D77-K80 VanDerWaalsContact O-N 3.09Å; D77-K80 IonicContact OD1-NZ 2.6Å; D77-K80 PolarHBondContact OD1-NZ 2.98Å; D77-E81 WeakPolarHBondContact O-CG 3.4Å; D77-E81 PolarHBondContact O-N 3.43Å |
| 78 | H | 90.1 | Very high | 90.2 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 36% | 0.356 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.7 | -43 | 169.1 | 175.9 | -103.8 | 0 | 0 | 0 | 112.7 | D74 K80 E81 L82 | D74-H78 WeakPolarHBondContact O-CB 3.45Å; D74-H78 PolarHBondContact O-N 3.26Å; D74-H78 VanDerWaalsContact O-N 3.12Å; H78-K80 VanDerWaalsContact C-N 3.33Å; H78-K80 PolarHBondContact O-N 3.28Å; H78-E81 PolarHBondContact O-N 3.09Å; H78-L82 PolarHBondContact O-N 2.84Å; H78-L82 VanDerWaalsContact O-N 3.14Å |
| 79 | L | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 175.9 | -73.8 | 168.7 | 0 | 0 | 0 | 112.6 | F13 Q52 Q75 D77 L82 N83 I84 A86 L114 Y116 | F13-L79 HydrophobicContact CE1-CD2 4.26Å; Q52-L79 HydrophobicContact CG-CD1 4.44Å; Q52-L79 HydrophobicContact CG-CD2 4.21Å; Q75-L79 WeakPolarHBondContact O-CB 3.27Å; Q75-L79 VanDerWaalsContact O-CG 3.25Å; Q75-L79 WeakPolarHBondContact O-CG 3.5Å; Q75-L79 PolarHBondContact O-N 3.2Å; D77-L79 VanDerWaalsContact C-N 3.33Å; D77-L79 PolarHBondContact O-N 2.67Å; L79-L82 CarbonylContact O-C 3.59Å; L79-L82 PolarHBondContact O-N 2.86Å; L79-N83 PolarHBondContact O-N 3.23Å; L79-I84 HydrophobicContact CB-CB 4.31Å; L79-I84 HydrophobicContact CD2-CB 4.24Å; L79-I84 HydrophobicContact CD2-CD1 3.74Å; L79-I84 HydrophobicContact CD2-CG2 4.22Å; L79-I84 WeakPolarHBondContact O-CA 3.29Å; L79-I84 WeakPolarHBondContact O-CB 3.34Å; L79-I84 PolarHBondContact O-N 3.5Å; L79-A86 HydrophobicContact CB-CB 3.74Å; L79-A86 HydrophobicContact CD1-CB 3.74Å; L79-A86 HydrophobicContact CG-CB 4.4Å; L79-L114 HydrophobicContact CD1-CD2 4.11Å; L79-Y116 HydrophobicContact CD1-CE2 3.75Å |
| 80 | K | 93.8 | Very high | 91.2 | Very high | 97 Ų | 97 | 46 Ų | 46 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.1 | -36.3 | 174.3 | -70.3 | 166.9 | -165.5 | 156.7 | 0 | 112.5 | V76 D77 H78 L82 N83 | V76-K80 HydrophobicContact CG1-CD 4.45Å; V76-K80 VanDerWaalsContact CG1-CE 3.45Å; V76-K80 VanDerWaalsContact O-CG 3.31Å; V76-K80 WeakPolarHBondContact O-CG 3.45Å; V76-K80 PolarHBondContact O-N 2.93Å; V76-K80 VanDerWaalsContact O-N 3.09Å; D77-K80 WeakPolarHBondContact O-CB 3.46Å; D77-K80 PolarHBondContact O-N 3.38Å; D77-K80 VanDerWaalsContact O-N 3.09Å; D77-K80 IonicContact OD1-NZ 2.6Å; D77-K80 PolarHBondContact OD1-NZ 2.98Å; H78-K80 VanDerWaalsContact C-N 3.33Å; H78-K80 PolarHBondContact O-N 3.28Å; K80-L82 PolarHBondContact O-N 2.87Å; K80-N83 WeakPolarHBondContact O-CA 3.47Å; K80-N83 PolarHBondContact O-N 2.73Å |
| 81 | E | 93.5 | Very high | 91.7 | Very high | 147 Ų | 147 | 47.2 Ų | 47.2 | 69% | 0.687 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 174 | -70.9 | 170.7 | 175.5 | 0 | 0 | 111 | D77 H78 N83 | D77-E81 WeakPolarHBondContact O-CG 3.4Å; D77-E81 PolarHBondContact O-N 3.43Å; H78-E81 PolarHBondContact O-N 3.09Å; E81-N83 PolarHBondContact O-N 3.09Å |
| 82 | L | 93.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 7.9 | 169.9 | -62.4 | 177.2 | 0 | 0 | 0 | 114.4 | F13 H78 L79 K80 I84 | F13-L82 HydrophobicContact CD1-CD1 3.63Å; F13-L82 HydrophobicContact CE1-CD1 4.13Å; F13-L82 HydrophobicContact CG-CD1 4.42Å; H78-L82 PolarHBondContact O-N 2.84Å; H78-L82 VanDerWaalsContact O-N 3.14Å; L79-L82 CarbonylContact O-C 3.59Å; L79-L82 PolarHBondContact O-N 2.86Å; K80-L82 PolarHBondContact O-N 2.87Å; L82-I84 HydrophobicContact CB-CD1 3.95Å; L82-I84 HydrophobicContact CB-CG1 4.2Å; L82-I84 HydrophobicContact CD1-CD1 4.3Å; L82-I84 PolarHBondContact O-N 2.84Å |
| 83 | N | 94 | Very high | 92 | Very high | 154 Ų | 154 | 54.9 Ų | 54.9 | 82% | 0.824 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 21.2 | -175.3 | -60.3 | -82.2 | 0 | 0 | 0 | 115.1 | L79 K80 E81 | L79-N83 PolarHBondContact O-N 3.23Å; K80-N83 WeakPolarHBondContact O-CA 3.47Å; K80-N83 PolarHBondContact O-N 2.73Å; E81-N83 PolarHBondContact O-N 3.09Å |
| 84 | I | 95.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | trans | -85.7 | 130.6 | 176.8 | -61.6 | 165.2 | 0 | 0 | 0 | 109.6 | F13 V56 L79 L82 A86 L114 | F13-I84 HydrophobicContact CE1-CD1 3.85Å; F13-I84 HydrophobicContact CE2-CD1 4.36Å; F13-I84 HydrophobicContact CZ-CD1 3.74Å; V56-I84 HydrophobicContact CG2-CD1 3.95Å; V56-I84 HydrophobicContact CG2-CG1 4.2Å; V56-I84 HydrophobicContact CG2-CG2 3.91Å; L79-I84 HydrophobicContact CB-CB 4.31Å; L79-I84 HydrophobicContact CD2-CB 4.24Å; L79-I84 HydrophobicContact CD2-CD1 3.74Å; L79-I84 HydrophobicContact CD2-CG2 4.22Å; L79-I84 WeakPolarHBondContact O-CA 3.29Å; L79-I84 WeakPolarHBondContact O-CB 3.34Å; L79-I84 PolarHBondContact O-N 3.5Å; L82-I84 HydrophobicContact CB-CD1 3.95Å; L82-I84 HydrophobicContact CB-CG1 4.2Å; L82-I84 HydrophobicContact CD1-CD1 4.3Å; L82-I84 PolarHBondContact O-N 2.84Å; I84-A86 PolarHBondContact O-N 3.22Å; I84-L114 HydrophobicContact CG2-CD1 3.72Å | ||
| 85 | A | 94.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | trans | -72.3 | 84.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K111 K113 L114 | A85-K111 VanDerWaalsContact CB-O 3.22Å; A85-K111 WeakPolarHBondContact CB-O 3.39Å; A85-K113 PolarHBondContact O-N 3.32Å; A85-L114 PolarHBondContact O-N 2.83Å | ||
| 86 | A | 96.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L79 I84 L114 | L79-A86 HydrophobicContact CB-CB 3.74Å; L79-A86 HydrophobicContact CD1-CB 3.74Å; L79-A86 HydrophobicContact CG-CB 4.4Å; I84-A86 PolarHBondContact O-N 3.22Å; A86-L114 WeakPolarHBondContact CA-O 3.5Å; A86-L114 HydrophobicContact CB-CB 4.11Å |
| 87 | C | 95.6 | Very high | 92.7 | Very high | 36 Ų | 36 | 62.8 Ų | 62.8 | 24% | 0.243 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 164.4 | 174.9 | -88.9 | 0 | 0 | 0 | 0 | 111.5 | I101 L112 L114 Y116 | C87-I101 HydrophobicContact CB-CD1 3.99Å; C87-I101 HydrophobicContact CB-CG1 4.33Å; C87-L112 HydrophobicContact CB-CD1 4.25Å; C87-L112 HydrophobicContact CB-CD2 3.75Å; C87-L114 PolarHBondContact N-O 3.3Å; C87-L114 VanDerWaalsContact N-O 3.07Å; C87-Y116 PolarHBondContact O-N 3.3Å |
| 88 | S | 95.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.3 | 171.8 | 71.6 | 0 | 0 | 0 | 0 | 113.4 | N90 Y116 | S88-N90 PolarHBondContact OG-ND2 3Å; S88-Y116 CarbonylContact C-O 3.51Å; S88-Y116 WeakPolarHBondContact CA-O 3.38Å |
| 89 | I | 95 | Very high | 93 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.8 | 165.9 | -69 | 172.6 | 0 | 0 | 0 | 108.2 | L93 I101 L102 L115 Y116 I117 T118 M121 F127 | I89-L93 HydrophobicContact CG1-CD2 4.3Å; I89-I101 HydrophobicContact CD1-CG2 3.88Å; I89-I101 HydrophobicContact CG1-CD1 4.34Å; I89-I101 HydrophobicContact CG1-CG2 4.15Å; I89-L102 HydrophobicContact CD1-CD2 4.35Å; I89-L115 HydrophobicContact CD1-CD1 4.05Å; I89-L115 HydrophobicContact CD1-CD2 4.35Å; I89-L115 HydrophobicContact CG1-CD1 4.03Å; I89-Y116 PolarHBondContact N-O 3.38Å; I89-I117 HydrophobicContact CB-CD1 4.18Å; I89-I117 HydrophobicContact CB-CG1 4.17Å; I89-I117 HydrophobicContact CG2-CD1 4.14Å; I89-I117 HydrophobicContact CG2-CG1 4.3Å; I89-I117 WeakPolarHBondContact O-CA 3.41Å; I89-T118 PolarHBondContact O-N 3.02Å; I89-M121 HydrophobicContact CG2-CB 4.37Å; I89-M121 HydrophobicContact CG2-CE 3.67Å; I89-F127 HydrophobicContact CD1-CD2 4.26Å; I89-F127 HydrophobicContact CD1-CE2 3.86Å |
| 90 | N | 92.5 | Very high | 93 | Very high | 8 Ų | 8 | 74.8 Ų | 74.8 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | trans | -143.8 | 174.2 | 178.8 | 66.2 | 69 | 0 | 0 | 0 | 110.5 | I69 S88 K92 L93 T118 | I69-N90 HydrophobicContact CD1-CB 4.13Å; I69-N90 HydrophobicContact CG1-CB 4.07Å; I69-N90 HydrophobicContact CG2-CB 4.37Å; S88-N90 PolarHBondContact OG-ND2 3Å; N90-K92 PolarHBondContact O-N 2.97Å; N90-K92 WeakPolarHBondContact OD1-CA 3.4Å; N90-K92 WeakPolarHBondContact OD1-CB 3.41Å; N90-K92 PolarHBondContact OD1-N 3.2Å; N90-L93 WeakPolarHBondContact O-CB 3.43Å; N90-L93 PolarHBondContact O-N 3.29Å; N90-L93 PolarHBondContact OD1-N 2.78Å; N90-T118 HydrophobicContact CB-CG2 4.04Å | ||
| 91 | S | 87.7 | Confident | 93.1 | Very high | 85 Ų | 85 | 70.9 Ų | 70.9 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.9 | -176.7 | 53.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 92 | K | 86.9 | Confident | 93.1 | Very high | 160 Ų | 160 | 66.4 Ų | 66.4 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -12.1 | 176.2 | -59.1 | -179.4 | -176.4 | 172 | 0 | 113.6 | I69 N90 | I69-K92 HydrophobicContact CD1-CD 4.43Å; I69-K92 HydrophobicContact CD1-CG 4.29Å; I69-K92 HydrophobicContact CG2-CD 4.31Å; N90-K92 PolarHBondContact O-N 2.97Å; N90-K92 WeakPolarHBondContact OD1-CA 3.4Å; N90-K92 WeakPolarHBondContact OD1-CB 3.41Å; N90-K92 PolarHBondContact OD1-N 3.2Å |
| 93 | L | 89.5 | Confident | 93.2 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -65.8 | 128 | -174.8 | -173.4 | 74.9 | 0 | 0 | 0 | 111.2 | I89 N90 E97 R98 I101 | I89-L93 HydrophobicContact CG1-CD2 4.3Å; N90-L93 WeakPolarHBondContact O-CB 3.43Å; N90-L93 PolarHBondContact O-N 3.29Å; N90-L93 PolarHBondContact OD1-N 2.78Å; L93-E97 HydrophobicContact CD1-CB 3.98Å; L93-E97 WeakPolarHBondContact CD1-OE2 3.36Å; L93-E97 HydrophobicContact CG-CB 4.2Å; L93-R98 HydrophobicContact CD2-CB 3.71Å; L93-R98 HydrophobicContact CD2-CG 4.16Å; L93-R98 HydrophobicContact CG-CB 4.4Å; L93-I101 HydrophobicContact CD2-CD1 3.85Å |
| 94 | P | 91.9 | Very high | 93.2 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 44% | 0.442 | 34% | 0.341 | S | S | . | . | trans | -58.2 | 143.9 | 176 | -26.6 | 36.8 | 0 | 0 | 0 | 113 | G96 E97 R98 | P94-G96 PolarHBondContact O-N 3.32Å; P94-E97 PolarHBondContact O-N 3.09Å; P94-R98 PolarHBondContact O-N 3.07Å | ||
| 95 | V | 90.6 | Very high | 93.2 | Very high | 126 Ų | 126 | 60.8 Ų | 60.8 | 76% | 0.764 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.3 | -33.3 | -177.1 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | R99 | V95-R99 WeakPolarHBondContact O-CB 3.47Å; V95-R99 PolarHBondContact O-N 3.2Å |
| 96 | G | 92.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -52.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P94 R98 R99 L100 | P94-G96 PolarHBondContact O-N 3.32Å; G96-R98 PolarHBondContact O-N 3.03Å; G96-R99 WeakPolarHBondContact O-CB 3.33Å; G96-R99 PolarHBondContact O-N 2.69Å; G96-L100 PolarHBondContact O-N 2.99Å; G96-L100 VanDerWaalsContact O-N 3.11Å |
| 97 | E | 92.7 | Very high | 92.9 | Very high | 102 Ų | 102 | 63 Ų | 63 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 176.6 | -69.4 | 170.9 | -138.5 | 0 | 0 | 111.5 | L93 P94 R99 L100 I101 | L93-E97 HydrophobicContact CD1-CB 3.98Å; L93-E97 WeakPolarHBondContact CD1-OE2 3.36Å; L93-E97 HydrophobicContact CG-CB 4.2Å; P94-E97 PolarHBondContact O-N 3.09Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 2.73Å; E97-L100 WeakPolarHBondContact O-CB 3.21Å; E97-L100 PolarHBondContact O-N 3.28Å; E97-I101 WeakPolarHBondContact O-CG1 3.43Å; E97-I101 PolarHBondContact O-N 2.98Å |
| 98 | R | 93.4 | Very high | 92.6 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.7 | -40.3 | 174.8 | -168.1 | 176.4 | 176.4 | -163.5 | -4.7 | 112 | L93 P94 G96 L102 S126 | L93-R98 HydrophobicContact CD2-CB 3.71Å; L93-R98 HydrophobicContact CD2-CG 4.16Å; L93-R98 HydrophobicContact CG-CB 4.4Å; P94-R98 PolarHBondContact O-N 3.07Å; G96-R98 PolarHBondContact O-N 3.03Å; R98-L102 HydrophobicContact CG-CD1 4.16Å; R98-L102 WeakPolarHBondContact O-CB 3.41Å; R98-L102 VanDerWaalsContact O-CG 3.28Å; R98-L102 WeakPolarHBondContact O-CG 3.27Å; R98-L102 PolarHBondContact O-N 3.18Å; R98-S126 PolarHBondContact NH2-OG 2.99Å |
| 99 | R | 93.3 | Very high | 92.3 | Very high | 201 Ų | 201 | 80.8 Ų | 80.8 | 76% | 0.758 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.7 | -37.6 | 177 | -174.5 | 179.6 | 178.6 | -171.1 | -1.3 | 112.1 | V95 G96 E97 A103 | V95-R99 WeakPolarHBondContact O-CB 3.47Å; V95-R99 PolarHBondContact O-N 3.2Å; G96-R99 WeakPolarHBondContact O-CB 3.33Å; G96-R99 PolarHBondContact O-N 2.69Å; E97-R99 VanDerWaalsContact C-N 3.26Å; E97-R99 PolarHBondContact O-N 2.73Å; R99-A103 WeakPolarHBondContact O-CB 3.4Å; R99-A103 PolarHBondContact O-N 3.11Å |
| 100 | L | 94.9 | Very high | 92.2 | Very high | 128 Ų | 128 | 82 Ų | 82 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 176.1 | -66.6 | 173.2 | 0 | 0 | 0 | 111.5 | G96 E97 A103 D104 | G96-L100 PolarHBondContact O-N 2.99Å; G96-L100 VanDerWaalsContact O-N 3.11Å; E97-L100 WeakPolarHBondContact O-CB 3.21Å; E97-L100 PolarHBondContact O-N 3.28Å; L100-A103 PolarHBondContact O-N 3.34Å; L100-D104 PolarHBondContact O-N 2.8Å |
| 101 | I | 95.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 89.9 Ų | 89.9 | 8% | 0.082 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 176 | -64.4 | 169.8 | 0 | 0 | 0 | 110.5 | C87 I89 L93 E97 A103 D104 L105 L112 L115 | C87-I101 HydrophobicContact CB-CD1 3.99Å; C87-I101 HydrophobicContact CB-CG1 4.33Å; I89-I101 HydrophobicContact CD1-CG2 3.88Å; I89-I101 HydrophobicContact CG1-CD1 4.34Å; I89-I101 HydrophobicContact CG1-CG2 4.15Å; L93-I101 HydrophobicContact CD2-CD1 3.85Å; E97-I101 WeakPolarHBondContact O-CG1 3.43Å; E97-I101 PolarHBondContact O-N 2.98Å; I101-A103 PolarHBondContact O-N 2.93Å; I101-D104 PolarHBondContact O-N 3.41Å; I101-L105 HydrophobicContact CG2-CD1 3.82Å; I101-L105 HydrophobicContact CG2-CG 4.32Å; I101-L105 VanDerWaalsContact O-CG 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.28Å; I101-L105 PolarHBondContact O-N 3.18Å; I101-L112 HydrophobicContact CG2-CD1 3.99Å; I101-L115 HydrophobicContact CG2-CD1 4.13Å |
| 102 | L | 94.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 86.7 Ų | 86.7 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -30 | 178.3 | -68.4 | 172.9 | 0 | 0 | 0 | 112.9 | I89 R98 L105 G106 F127 C130 | I89-L102 HydrophobicContact CD1-CD2 4.35Å; R98-L102 HydrophobicContact CG-CD1 4.16Å; R98-L102 WeakPolarHBondContact O-CB 3.41Å; R98-L102 VanDerWaalsContact O-CG 3.28Å; R98-L102 WeakPolarHBondContact O-CG 3.27Å; R98-L102 PolarHBondContact O-N 3.18Å; L102-L105 HydrophobicContact CD2-CD1 4.46Å; L102-G106 PolarHBondContact O-N 3.02Å; L102-F127 HydrophobicContact CD2-CD2 4Å; L102-F127 HydrophobicContact CD2-CE2 4.08Å; L102-C130 HydrophobicContact CD2-CB 3.97Å |
| 103 | A | 93.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 81.8 Ų | 81.8 | 51% | 0.512 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.5 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R99 L100 I101 G106 S107 | R99-A103 WeakPolarHBondContact O-CB 3.4Å; R99-A103 PolarHBondContact O-N 3.11Å; L100-A103 PolarHBondContact O-N 3.34Å; I101-A103 PolarHBondContact O-N 2.93Å; A103-G106 PolarHBondContact O-N 3.27Å; A103-S107 PolarHBondContact O-N 3.41Å; A103-S107 VanDerWaalsContact O-N 3.09Å |
| 104 | D | 95.1 | Very high | 93.2 | Very high | 37 Ų | 37 | 80.2 Ų | 80.2 | 20% | 0.198 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 173.9 | -174.3 | 70.5 | 0 | 0 | 0 | 111.3 | L100 I101 G106 S107 P110 K111 L112 | L100-D104 PolarHBondContact O-N 2.8Å; I101-D104 PolarHBondContact O-N 3.41Å; D104-G106 PolarHBondContact O-N 3.14Å; D104-S107 VanDerWaalsContact O-CB 3.23Å; D104-S107 WeakPolarHBondContact O-CB 3.45Å; D104-S107 PolarHBondContact O-N 3.18Å; D104-S107 PolarHBondContact O-OG 3.16Å; D104-P110 WeakPolarHBondContact O-CB 3.44Å; D104-K111 PolarHBondContact OD1-N 3.04Å; D104-K111 VanDerWaalsContact OD1-N 3.15Å; D104-K111 PolarHBondContact OD2-N 3.31Å; D104-L112 WeakPolarHBondContact OD2-CG 3.42Å; D104-L112 PolarHBondContact OD2-N 2.97Å |
| 105 | L | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 175.4 | -63 | 170.2 | 0 | 0 | 0 | 112.3 | I61 I101 L102 S107 L112 L115 F127 L134 R137 | I61-L105 HydrophobicContact CD1-CD2 3.61Å; I61-L105 HydrophobicContact CG1-CD2 4.48Å; I101-L105 HydrophobicContact CG2-CD1 3.82Å; I101-L105 HydrophobicContact CG2-CG 4.32Å; I101-L105 VanDerWaalsContact O-CG 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.28Å; I101-L105 PolarHBondContact O-N 3.18Å; L102-L105 HydrophobicContact CD2-CD1 4.46Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-L112 HydrophobicContact CD2-CD1 4.09Å; L105-L112 HydrophobicContact CG-CD1 4.35Å; L105-L115 HydrophobicContact CD1-CD2 3.63Å; L105-L115 HydrophobicContact CD2-CD2 4.26Å; L105-F127 HydrophobicContact CD1-CE2 4.44Å; L105-L134 HydrophobicContact CD2-CD1 4.33Å; L105-R137 PolarHBondContact O-NH2 2.84Å |
| 106 | G | 92.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 71 Ų | 71 | 54% | 0.536 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75.8 | -14 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L102 A103 D104 | L102-G106 PolarHBondContact O-N 3.02Å; A103-G106 PolarHBondContact O-N 3.27Å; D104-G106 PolarHBondContact O-N 3.14Å |
| 107 | S | 92.8 | Very high | 94 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -72.6 | 156.3 | -179.9 | 82.7 | 0 | 0 | 0 | 0 | 111.9 | A103 D104 L105 R109 P110 R137 | A103-S107 PolarHBondContact O-N 3.41Å; A103-S107 VanDerWaalsContact O-N 3.09Å; D104-S107 VanDerWaalsContact O-CB 3.23Å; D104-S107 WeakPolarHBondContact O-CB 3.45Å; D104-S107 PolarHBondContact O-N 3.18Å; D104-S107 PolarHBondContact O-OG 3.16Å; L105-S107 VanDerWaalsContact C-N 3.32Å; S107-R109 PolarHBondContact O-N 3.13Å; S107-R109 PolarHBondContact OG-O 3.08Å; S107-P110 WeakPolarHBondContact O-CD 3.26Å; S107-P110 WeakPolarHBondContact OG-CA 3.42Å; S107-R137 PolarHBondContact O-NH1 3.23Å |
| 108 | K | 89 | Confident | 94.1 | Very high | 197 Ų | 197 | 63.9 Ų | 63.9 | 86% | 0.857 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -59.8 | -31.3 | -179.1 | -70.6 | -171.9 | 178.2 | -175.9 | 0 | 113.7 | ||
| 109 | R | 89.3 | Confident | 94.1 | Very high | 224 Ų | 224 | 61.4 Ų | 61.4 | 85% | 0.845 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -136.6 | 85 | 177.9 | -66.5 | -175.2 | 71.7 | 153.2 | 3.2 | 107.9 | S107 | S107-R109 PolarHBondContact O-N 3.13Å; S107-R109 PolarHBondContact OG-O 3.08Å |
| 110 | P | 93 | Very high | 94.1 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | trans | -56.4 | 146.1 | 176.6 | -23.4 | 34.9 | 0 | 0 | 0 | 110.8 | I61 D104 S107 L139 | I61-P110 HydrophobicContact CD1-CB 3.74Å; I61-P110 HydrophobicContact CD1-CG 3.8Å; I61-P110 HydrophobicContact CG1-CB 4.44Å; D104-P110 WeakPolarHBondContact O-CB 3.44Å; S107-P110 WeakPolarHBondContact O-CD 3.26Å; S107-P110 WeakPolarHBondContact OG-CA 3.42Å; P110-L139 HydrophobicContact CG-CD1 4.21Å | ||
| 111 | K | 91.9 | Very high | 94 | Very high | 173 Ų | 173 | 50.1 Ų | 50.1 | 75% | 0.752 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -87 | -23 | 176 | -66 | -177.8 | 178.9 | -177.2 | 0 | 112.3 | A85 D104 | A85-K111 VanDerWaalsContact CB-O 3.22Å; A85-K111 WeakPolarHBondContact CB-O 3.39Å; D104-K111 PolarHBondContact OD1-N 3.04Å; D104-K111 VanDerWaalsContact OD1-N 3.15Å; D104-K111 PolarHBondContact OD2-N 3.31Å |
| 112 | L | 94.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 25% | 0.25 | C | C | . | . | trans | -67.2 | 139.7 | 177.9 | -68.2 | 170.4 | 0 | 0 | 0 | 112 | I61 C87 I101 D104 L105 | I61-L112 VanDerWaalsContact CG1-O 3.24Å; I61-L112 WeakPolarHBondContact CG1-O 3.43Å; C87-L112 HydrophobicContact CB-CD1 4.25Å; C87-L112 HydrophobicContact CB-CD2 3.75Å; I101-L112 HydrophobicContact CG2-CD1 3.99Å; D104-L112 WeakPolarHBondContact OD2-CG 3.42Å; D104-L112 PolarHBondContact OD2-N 2.97Å; L105-L112 HydrophobicContact CD2-CD1 4.09Å; L105-L112 HydrophobicContact CG-CD1 4.35Å | ||
| 113 | K | 95.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -105.8 | -39.2 | 170 | -73.9 | -63.9 | -167.6 | 176.5 | 0 | 112.2 | A58 E59 I61 T62 A85 | A58-K113 PolarHBondContact O-NZ 2.94Å; E59-K113 VanDerWaalsContact C-NZ 3.35Å; E59-K113 PolarHBondContact O-NZ 3.26Å; I61-K113 WeakPolarHBondContact CA-O 3.13Å; T62-K113 PolarHBondContact N-O 3.13Å; A85-K113 PolarHBondContact O-N 3.32Å |
| 114 | L | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.6 | 177.4 | -69 | 97.2 | 0 | 0 | 0 | 111.6 | Y51 Q52 A55 V64 L79 I84 A85 A86 C87 Y116 | Y51-L114 HydrophobicContact CD2-CD2 4.33Å; Y51-L114 HydrophobicContact CE2-CD2 4.4Å; Q52-L114 HydrophobicContact CG-CD2 3.96Å; A55-L114 HydrophobicContact CB-CD1 3.92Å; A55-L114 HydrophobicContact CB-CD2 4.02Å; A55-L114 HydrophobicContact CB-CG 3.8Å; V64-L114 HydrophobicContact CG2-CD2 4.27Å; L79-L114 HydrophobicContact CD1-CD2 4.11Å; I84-L114 HydrophobicContact CG2-CD1 3.72Å; A85-L114 PolarHBondContact O-N 2.83Å; A86-L114 WeakPolarHBondContact CA-O 3.5Å; A86-L114 HydrophobicContact CB-CB 4.11Å; C87-L114 PolarHBondContact N-O 3.3Å; C87-L114 VanDerWaalsContact N-O 3.07Å; L114-Y116 HydrophobicContact CB-CE2 4.39Å; L114-Y116 HydrophobicContact CD2-CE2 4.3Å |
| 115 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 107.3 | 171 | 179.2 | 62.2 | 0 | 0 | 0 | 109.7 | I61 T62 L63 V64 I89 I101 L105 F127 | I61-L115 HydrophobicContact CG2-CB 4.29Å; T62-L115 PolarHBondContact O-N 2.94Å; L63-L115 HydrophobicContact CD1-CB 4.19Å; L63-L115 HydrophobicContact CD1-CD2 3.76Å; L63-L115 HydrophobicContact CD1-CG 3.97Å; V64-L115 PolarHBondContact N-O 2.58Å; I89-L115 HydrophobicContact CD1-CD1 4.05Å; I89-L115 HydrophobicContact CD1-CD2 4.35Å; I89-L115 HydrophobicContact CG1-CD1 4.03Å; I101-L115 HydrophobicContact CG2-CD1 4.13Å; L105-L115 HydrophobicContact CD1-CD2 3.63Å; L105-L115 HydrophobicContact CD2-CD2 4.26Å; L115-F127 HydrophobicContact CD2-CE2 4.17Å; L115-F127 HydrophobicContact CD2-CZ 3.82Å |
| 116 | Y | 97.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 136.9 | 169.2 | -74.2 | -99.8 | 0 | 0 | 0 | 110.3 | Y51 Q52 V64 I72 Q75 V76 L79 C87 S88 I89 L114 | Y51-Y116 HydrophobicContact CE2-CE1 4.42Å; Y51-Y116 WeakPolarHBondContact CE2-OH 3.42Å; Y51-Y116 PolarHBondContact OH-OH 2.96Å; Y51-Y116 VanDerWaalsContact OH-OH 3.07Å; Q52-Y116 PolarHBondContact NE2-OH 2.83Å; V64-Y116 HydrophobicContact CB-CD1 3.82Å; V64-Y116 HydrophobicContact CB-CE1 3.95Å; V64-Y116 HydrophobicContact CB-CG 4.15Å; V64-Y116 HydrophobicContact CG1-CD1 3.73Å; V64-Y116 HydrophobicContact CG1-CE1 3.55Å; V64-Y116 HydrophobicContact CG2-CE1 4.4Å; V64-Y116 HydrophobicContact CG2-CE2 4.47Å; V64-Y116 CarbonylContact O-C 3.54Å; V64-Y116 VanDerWaalsContact O-CA 3.29Å; V64-Y116 WeakPolarHBondContact O-CA 3.13Å; I72-Y116 HydrophobicContact CG1-CD1 4.17Å; I72-Y116 HydrophobicContact CG2-CD1 4.37Å; I72-Y116 HydrophobicContact CG2-CG 4.16Å; Q75-Y116 HydrophobicContact CB-CE1 4.09Å; Q75-Y116 HydrophobicContact CG-CE1 4.49Å; V76-Y116 HydrophobicContact CG2-CD2 3.46Å; V76-Y116 VanDerWaalsContact CG2-CD2 3.46Å; V76-Y116 HydrophobicContact CG2-CE2 4Å; V76-Y116 HydrophobicContact CG2-CG 3.99Å; L79-Y116 HydrophobicContact CD1-CE2 3.75Å; C87-Y116 PolarHBondContact O-N 3.3Å; S88-Y116 CarbonylContact C-O 3.51Å; S88-Y116 WeakPolarHBondContact CA-O 3.38Å; I89-Y116 PolarHBondContact N-O 3.38Å; L114-Y116 HydrophobicContact CB-CE2 4.39Å; L114-Y116 HydrophobicContact CD2-CE2 4.3Å |
| 117 | I | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 146.1 | 179.3 | -166 | 160.5 | 0 | 0 | 0 | 110.9 | L63 V64 I65 S66 I89 M121 V122 F127 | L63-I117 HydrophobicContact CD1-CB 4.42Å; L63-I117 HydrophobicContact CD1-CG2 3.71Å; L63-I117 HydrophobicContact CG-CG2 4.11Å; V64-I117 PolarHBondContact O-N 3.12Å; I65-I117 WeakPolarHBondContact CA-O 3.24Å; I65-I117 HydrophobicContact CG1-CG2 3.95Å; S66-I117 PolarHBondContact N-O 3.41Å; S66-I117 VanDerWaalsContact N-O 3.15Å; I89-I117 HydrophobicContact CB-CD1 4.18Å; I89-I117 HydrophobicContact CB-CG1 4.17Å; I89-I117 HydrophobicContact CG2-CD1 4.14Å; I89-I117 HydrophobicContact CG2-CG1 4.3Å; I89-I117 WeakPolarHBondContact O-CA 3.41Å; I117-M121 HydrophobicContact CD1-CB 4.19Å; I117-M121 HydrophobicContact CG1-CB 3.77Å; I117-V122 HydrophobicContact CD1-CB 3.86Å; I117-V122 HydrophobicContact CD1-CG2 4.41Å; I117-V122 HydrophobicContact CG1-CB 4.05Å; I117-V122 HydrophobicContact CG2-CB 3.84Å; I117-V122 HydrophobicContact CG2-CG1 4.47Å; I117-V122 HydrophobicContact CG2-CG2 4.24Å; I117-F127 HydrophobicContact CD1-CD1 3.79Å; I117-F127 HydrophobicContact CD1-CD2 4.07Å; I117-F127 HydrophobicContact CD1-CE1 3.77Å; I117-F127 HydrophobicContact CD1-CE2 4.06Å; I117-F127 HydrophobicContact CD1-CG 3.95Å; I117-F127 HydrophobicContact CD1-CZ 3.9Å |
| 118 | T | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | trans | -83.5 | 150.3 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | I69 I72 I89 N90 E120 M121 V122 | I69-T118 HydrophobicContact CG1-CG2 4.09Å; I72-T118 HydrophobicContact CD1-CG2 3.72Å; I89-T118 PolarHBondContact O-N 3.02Å; N90-T118 HydrophobicContact CB-CG2 4.04Å; T118-E120 VanDerWaalsContact C-N 3.29Å; T118-E120 WeakPolarHBondContact CB-OE1 3.46Å; T118-E120 VanDerWaalsContact CB-OE2 3.26Å; T118-E120 WeakPolarHBondContact CB-OE2 3.39Å; T118-E120 PolarHBondContact O-N 2.77Å; T118-E120 PolarHBondContact OG1-OE1 3.38Å; T118-E120 PolarHBondContact OG1-OE2 2.82Å; T118-M121 WeakPolarHBondContact O-CB 3.46Å; T118-M121 PolarHBondContact O-N 3.29Å; T118-M121 WeakPolarHBondContact OG1-CG 3.25Å; T118-V122 PolarHBondContact O-N 2.8Å | ||
| 119 | P | 93.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -37 | -173.3 | 26 | -38.7 | 0 | 0 | 0 | 113.1 | I65 M121 V122 A123 D161 Y162 | I65-P119 HydrophobicContact CG2-CB 4.24Å; P119-M121 VanDerWaalsContact C-N 3.3Å; P119-M121 PolarHBondContact O-N 3.15Å; P119-V122 WeakPolarHBondContact O-CG1 3.28Å; P119-A123 VanDerWaalsContact O-CB 3.25Å; P119-A123 WeakPolarHBondContact O-CB 3.45Å; P119-A123 PolarHBondContact O-N 3.08Å; P119-A123 VanDerWaalsContact O-N 3.1Å; P119-D161 HydrophobicContact CB-CB 3.96Å; P119-D161 HydrophobicContact CG-CB 4.14Å; P119-Y162 HydrophobicContact CB-CD2 3.89Å; P119-Y162 HydrophobicContact CB-CE2 3.97Å; P119-Y162 HydrophobicContact CG-CD2 3.82Å; P119-Y162 HydrophobicContact CG-CE2 3.63Å |
| 120 | E | 91.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 35.8 Ų | 35.8 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.2 | -27.3 | 176.3 | 75.6 | -72.2 | 172.8 | 0 | 0 | 113 | T118 S124 D161 | T118-E120 VanDerWaalsContact C-N 3.29Å; T118-E120 WeakPolarHBondContact CB-OE1 3.46Å; T118-E120 VanDerWaalsContact CB-OE2 3.26Å; T118-E120 WeakPolarHBondContact CB-OE2 3.39Å; T118-E120 PolarHBondContact O-N 2.77Å; T118-E120 PolarHBondContact OG1-OE1 3.38Å; T118-E120 PolarHBondContact OG1-OE2 2.82Å; E120-S124 PolarHBondContact O-N 3.21Å; E120-D161 HydrophobicContact CB-CB 4.48Å |
| 121 | M | 93.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -83.4 | -38.5 | 179.5 | -69.6 | -63.7 | -67.8 | 0 | 0 | 112.4 | I89 I117 T118 P119 S124 F127 | I89-M121 HydrophobicContact CG2-CB 4.37Å; I89-M121 HydrophobicContact CG2-CE 3.67Å; I117-M121 HydrophobicContact CD1-CB 4.19Å; I117-M121 HydrophobicContact CG1-CB 3.77Å; T118-M121 WeakPolarHBondContact O-CB 3.46Å; T118-M121 PolarHBondContact O-N 3.29Å; T118-M121 WeakPolarHBondContact OG1-CG 3.25Å; P119-M121 VanDerWaalsContact C-N 3.3Å; P119-M121 PolarHBondContact O-N 3.15Å; M121-S124 WeakPolarHBondContact O-CB 3.46Å; M121-S124 PolarHBondContact O-N 3.06Å; M121-F127 WeakPolarHBondContact O-CB 3.47Å |
| 122 | V | 92.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71 | -38 | 175.2 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | L63 I65 I117 T118 P119 S124 F127 Q128 L165 L168 | L63-V122 HydrophobicContact CD2-CG2 4.02Å; I65-V122 HydrophobicContact CD1-CG1 3.92Å; I65-V122 HydrophobicContact CD1-CG2 4.44Å; I65-V122 HydrophobicContact CG1-CG1 4.31Å; I117-V122 HydrophobicContact CD1-CB 3.86Å; I117-V122 HydrophobicContact CD1-CG2 4.41Å; I117-V122 HydrophobicContact CG1-CB 4.05Å; I117-V122 HydrophobicContact CG2-CB 3.84Å; I117-V122 HydrophobicContact CG2-CG1 4.47Å; I117-V122 HydrophobicContact CG2-CG2 4.24Å; T118-V122 PolarHBondContact O-N 2.8Å; P119-V122 WeakPolarHBondContact O-CG1 3.28Å; V122-S124 PolarHBondContact O-N 2.89Å; V122-F127 HydrophobicContact CB-CD1 4.5Å; V122-F127 HydrophobicContact CG2-CD1 4.02Å; V122-F127 HydrophobicContact CG2-CE1 4.09Å; V122-Q128 PolarHBondContact O-NE2 3.47Å; V122-L165 HydrophobicContact CG1-CD2 3.85Å; V122-L168 HydrophobicContact CG1-CD2 4.25Å; V122-L168 HydrophobicContact CG2-CD1 4.21Å; V122-L168 HydrophobicContact CG2-CD2 3.55Å |
| 123 | A | 88.6 | Confident | 93.1 | Very high | 31 Ų | 31 | 31 Ų | 31 | 26% | 0.256 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -72.2 | -8.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P119 K164 | P119-A123 VanDerWaalsContact O-CB 3.25Å; P119-A123 WeakPolarHBondContact O-CB 3.45Å; P119-A123 PolarHBondContact O-N 3.08Å; P119-A123 VanDerWaalsContact O-N 3.1Å; A123-K164 HydrophobicContact CB-CB 3.98Å; A123-K164 HydrophobicContact CB-CD 3.67Å; A123-K164 HydrophobicContact CB-CG 4.47Å |
| 124 | S | 89.9 | Confident | 93 | Very high | 32 Ų | 32 | 28.5 Ų | 28.5 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -66.6 | 132.2 | 178.1 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | E120 M121 V122 S126 F127 Q128 | E120-S124 PolarHBondContact O-N 3.21Å; M121-S124 WeakPolarHBondContact O-CB 3.46Å; M121-S124 PolarHBondContact O-N 3.06Å; V122-S124 PolarHBondContact O-N 2.89Å; S124-S126 PolarHBondContact O-N 3.07Å; S124-S126 PolarHBondContact OG-N 3.43Å; S124-S126 PolarHBondContact OG-OG 3.35Å; S124-F127 PolarHBondContact O-N 2.85Å; S124-Q128 PolarHBondContact O-N 3.49Å |
| 125 | P | 88.5 | Confident | 92.7 | Very high | 111 Ų | 111 | 30.3 Ų | 30.3 | 72% | 0.721 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -23.7 | 171.2 | -27.1 | 35.1 | 0 | 0 | 0 | 113.8 | F127 P129 | P125-F127 VanDerWaalsContact C-N 3.32Å; P125-F127 PolarHBondContact O-N 3.01Å; P125-P129 VanDerWaalsContact O-CD 3.3Å; P125-P129 WeakPolarHBondContact O-CD 3.3Å |
| 126 | S | 89.7 | Confident | 92.5 | Very high | 63 Ų | 63 | 35 Ų | 35 | 44% | 0.441 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22.3 | 177.2 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | R98 S124 | R98-S126 PolarHBondContact NH2-OG 2.99Å; S124-S126 PolarHBondContact O-N 3.07Å; S124-S126 PolarHBondContact OG-N 3.43Å; S124-S126 PolarHBondContact OG-OG 3.35Å |
| 127 | F | 92.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -24.4 | 178.7 | -172.5 | -108.5 | 0 | 0 | 0 | 112.8 | L63 I89 L102 L105 L115 I117 M121 V122 S124 P125 C130 L131 | L63-F127 HydrophobicContact CD1-CE1 4.4Å; L63-F127 HydrophobicContact CD1-CZ 4.33Å; I89-F127 HydrophobicContact CD1-CD2 4.26Å; I89-F127 HydrophobicContact CD1-CE2 3.86Å; L102-F127 HydrophobicContact CD2-CD2 4Å; L102-F127 HydrophobicContact CD2-CE2 4.08Å; L105-F127 HydrophobicContact CD1-CE2 4.44Å; L115-F127 HydrophobicContact CD2-CE2 4.17Å; L115-F127 HydrophobicContact CD2-CZ 3.82Å; I117-F127 HydrophobicContact CD1-CD1 3.79Å; I117-F127 HydrophobicContact CD1-CD2 4.07Å; I117-F127 HydrophobicContact CD1-CE1 3.77Å; I117-F127 HydrophobicContact CD1-CE2 4.06Å; I117-F127 HydrophobicContact CD1-CG 3.95Å; I117-F127 HydrophobicContact CD1-CZ 3.9Å; M121-F127 WeakPolarHBondContact O-CB 3.47Å; V122-F127 HydrophobicContact CB-CD1 4.5Å; V122-F127 HydrophobicContact CG2-CD1 4.02Å; V122-F127 HydrophobicContact CG2-CE1 4.09Å; S124-F127 PolarHBondContact O-N 2.85Å; P125-F127 VanDerWaalsContact C-N 3.32Å; P125-F127 PolarHBondContact O-N 3.01Å; F127-C130 HydrophobicContact CD2-CB 4.26Å; F127-C130 HydrophobicContact CE2-CB 4.21Å; F127-C130 VanDerWaalsContact O-CB 3.3Å; F127-C130 WeakPolarHBondContact O-CB 3.37Å; F127-C130 PolarHBondContact O-N 2.57Å; F127-L131 HydrophobicContact CD1-CB 4.38Å; F127-L131 HydrophobicContact CE1-CB 4.18Å; F127-L131 PolarHBondContact O-N 3.33Å; F127-L131 VanDerWaalsContact O-N 3.15Å |
| 128 | Q | 91.4 | Very high | 92 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52 | -44.1 | -176.5 | -65.5 | -66.9 | -58.1 | 0 | 0 | 114.4 | V122 S124 C130 L131 T132 | V122-Q128 PolarHBondContact O-NE2 3.47Å; S124-Q128 PolarHBondContact O-N 3.49Å; Q128-C130 VanDerWaalsContact C-N 3.27Å; Q128-C130 PolarHBondContact O-N 3Å; Q128-L131 PolarHBondContact O-N 3.19Å; Q128-L131 VanDerWaalsContact O-N 3.14Å; Q128-T132 PolarHBondContact O-N 2.96Å; Q128-T132 PolarHBondContact O-OG1 3.45Å |
| 129 | P | 92.3 | Very high | 92 | Very high | 93 Ų | 93 | 44.2 Ų | 44.2 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.1 | -34 | 177 | -24 | 34.5 | 0 | 0 | 0 | 113.7 | P125 G133 | P125-P129 VanDerWaalsContact O-CD 3.3Å; P125-P129 WeakPolarHBondContact O-CD 3.3Å; P129-G133 PolarHBondContact O-N 3.29Å |
| 130 | C | 93.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 176 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | L102 F127 Q128 G133 L134 | L102-C130 HydrophobicContact CD2-CB 3.97Å; F127-C130 HydrophobicContact CD2-CB 4.26Å; F127-C130 HydrophobicContact CE2-CB 4.21Å; F127-C130 VanDerWaalsContact O-CB 3.3Å; F127-C130 WeakPolarHBondContact O-CB 3.37Å; F127-C130 PolarHBondContact O-N 2.57Å; Q128-C130 VanDerWaalsContact C-N 3.27Å; Q128-C130 PolarHBondContact O-N 3Å; C130-G133 PolarHBondContact O-N 3.2Å; C130-L134 WeakPolarHBondContact O-CG 3.26Å; C130-L134 PolarHBondContact O-N 3.23Å |
| 131 | L | 93.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -49.8 | 178.1 | -177.7 | 63 | 0 | 0 | 0 | 111.7 | L63 F127 Q128 G133 L134 C135 L140 L168 I172 | L63-L131 HydrophobicContact CD2-CD1 4.07Å; F127-L131 HydrophobicContact CD1-CB 4.38Å; F127-L131 HydrophobicContact CE1-CB 4.18Å; F127-L131 PolarHBondContact O-N 3.33Å; F127-L131 VanDerWaalsContact O-N 3.15Å; Q128-L131 PolarHBondContact O-N 3.19Å; Q128-L131 VanDerWaalsContact O-N 3.14Å; L131-G133 VanDerWaalsContact C-N 3.26Å; L131-G133 PolarHBondContact O-N 2.89Å; L131-L134 PolarHBondContact O-N 3.19Å; L131-L134 VanDerWaalsContact O-N 3.08Å; L131-C135 PolarHBondContact O-N 3.3Å; L131-C135 PolarHBondContact O-SG 3.42Å; L131-L140 HydrophobicContact CD1-CD2 3.75Å; L131-L168 HydrophobicContact CD2-CD1 3.47Å; L131-L168 VanDerWaalsContact CD2-CD1 3.47Å; L131-L168 HydrophobicContact CD2-CG 4.11Å; L131-I172 HydrophobicContact CD2-CG2 4.29Å; L131-I172 HydrophobicContact CG-CG2 4.32Å |
| 132 | T | 92.1 | Very high | 92.4 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.6 | -42.1 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111 | Q128 L134 C135 S136 | Q128-T132 PolarHBondContact O-N 2.96Å; Q128-T132 PolarHBondContact O-OG1 3.45Å; T132-L134 VanDerWaalsContact C-N 3.34Å; T132-L134 PolarHBondContact O-N 3.34Å; T132-C135 PolarHBondContact O-N 3.15Å; T132-S136 WeakPolarHBondContact O-CB 3.5Å; T132-S136 PolarHBondContact O-N 3.37Å; T132-S136 PolarHBondContact O-OG 2.9Å |
| 133 | G | 92.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P129 C130 L131 S136 R137 | P129-G133 PolarHBondContact O-N 3.29Å; C130-G133 PolarHBondContact O-N 3.2Å; L131-G133 VanDerWaalsContact C-N 3.26Å; L131-G133 PolarHBondContact O-N 2.89Å; G133-S136 PolarHBondContact O-OG 3.28Å; G133-R137 WeakPolarHBondContact O-CG 3.46Å; G133-R137 PolarHBondContact O-NE 3.12Å; G133-R137 PolarHBondContact O-NH2 2.84Å |
| 134 | L | 93.7 | Very high | 93 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.4 | -42.9 | 171.8 | -74.9 | 165.4 | 0 | 0 | 0 | 111.4 | I61 L105 C130 L131 T132 R137 G138 L139 L140 | I61-L134 HydrophobicContact CD1-CD2 3.55Å; L105-L134 HydrophobicContact CD2-CD1 4.33Å; C130-L134 WeakPolarHBondContact O-CG 3.26Å; C130-L134 PolarHBondContact O-N 3.23Å; L131-L134 PolarHBondContact O-N 3.19Å; L131-L134 VanDerWaalsContact O-N 3.08Å; T132-L134 VanDerWaalsContact C-N 3.34Å; T132-L134 PolarHBondContact O-N 3.34Å; L134-R137 PolarHBondContact O-N 3.02Å; L134-G138 PolarHBondContact O-N 2.83Å; L134-L139 HydrophobicContact CD2-CB 4Å; L134-L139 PolarHBondContact O-N 3.12Å; L134-L140 HydrophobicContact CB-CB 4.45Å |
| 135 | C | 92.3 | Very high | 93.4 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | -179.1 | -60 | 0 | 0 | 0 | 0 | 112 | L131 T132 R137 G138 I172 | L131-C135 PolarHBondContact O-N 3.3Å; L131-C135 PolarHBondContact O-SG 3.42Å; T132-C135 PolarHBondContact O-N 3.15Å; C135-R137 PolarHBondContact O-N 3.38Å; C135-R137 VanDerWaalsContact O-N 3.14Å; C135-G138 PolarHBondContact O-N 2.75Å; C135-I172 WeakPolarHBondContact SG-CG2 3.4Å |
| 136 | S | 92.1 | Very high | 93.6 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 69% | 0.685 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.8 | 178.7 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | T132 G133 | T132-S136 WeakPolarHBondContact O-CB 3.5Å; T132-S136 PolarHBondContact O-N 3.37Å; T132-S136 PolarHBondContact O-OG 2.9Å; G133-S136 PolarHBondContact O-OG 3.28Å |
| 137 | R | 93.1 | Very high | 93.7 | Very high | 94 Ų | 94 | 33.4 Ų | 33.4 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 1.4 | 174.5 | -68.9 | -178.4 | -68.5 | 150.1 | 1.5 | 113.7 | L105 S107 G133 L134 C135 L139 | L105-R137 PolarHBondContact O-NH2 2.84Å; S107-R137 PolarHBondContact O-NH1 3.23Å; G133-R137 WeakPolarHBondContact O-CG 3.46Å; G133-R137 PolarHBondContact O-NE 3.12Å; G133-R137 PolarHBondContact O-NH2 2.84Å; L134-R137 PolarHBondContact O-N 3.02Å; C135-R137 PolarHBondContact O-N 3.38Å; C135-R137 VanDerWaalsContact O-N 3.14Å; R137-L139 HydrophobicContact CB-CD1 3.97Å; R137-L139 HydrophobicContact CB-CG 3.96Å; R137-L139 PolarHBondContact O-N 3.04Å |
| 138 | G | 91.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 66% | 0.66 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 19.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L134 C135 | L134-G138 PolarHBondContact O-N 2.83Å; C135-G138 PolarHBondContact O-N 2.75Å |
| 139 | L | 94.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 32.1 Ų | 32.1 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | trans | -92.7 | -3.3 | -174.2 | -68.7 | 176 | 0 | 0 | 0 | 114.2 | G60 I61 P110 L134 R137 | G60-L139 WeakPolarHBondContact CA-O 3.43Å; I61-L139 PolarHBondContact N-O 2.65Å; P110-L139 HydrophobicContact CG-CD1 4.21Å; L134-L139 HydrophobicContact CD2-CB 4Å; L134-L139 PolarHBondContact O-N 3.12Å; R137-L139 HydrophobicContact CB-CD1 3.97Å; R137-L139 HydrophobicContact CB-CG 3.96Å; R137-L139 PolarHBondContact O-N 3.04Å | ||
| 140 | L | 95 | Very high | 93.7 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 105.2 | 173.2 | -177.5 | 64.4 | 0 | 0 | 0 | 108.8 | L63 L131 L134 I172 V175 | L63-L140 HydrophobicContact CB-CD1 3.79Å; L131-L140 HydrophobicContact CD1-CD2 3.75Å; L134-L140 HydrophobicContact CB-CB 4.45Å; L140-I172 HydrophobicContact CD2-CD1 4.03Å; L140-V175 HydrophobicContact CB-CG2 4.33Å; L140-V175 HydrophobicContact CD2-CG1 4.27Å; L140-V175 HydrophobicContact CD2-CG2 4.12Å; L140-V175 HydrophobicContact CG-CG1 4.05Å; L140-V175 HydrophobicContact CG-CG2 4.18Å |
| 141 | S | 95.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 26.7 Ų | 26.7 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -44.8 | -175.9 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | G60 I61 P176 | G60-S141 VanDerWaalsContact CA-OG 3.28Å; G60-S141 WeakPolarHBondContact CA-OG 3.28Å; G60-S141 PolarHBondContact N-OG 3.3Å; I61-S141 PolarHBondContact O-N 3.01Å; S141-P176 WeakPolarHBondContact O-CD 3.21Å |
| 142 | Y | 96.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 26.5 Ų | 26.5 | 11% | 0.114 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 149.1 | -177.8 | -55.5 | -66 | 0 | 0 | 0 | 112 | V30 P54 A58 T62 L63 P176 | V30-Y142 HydrophobicContact CG1-CD1 4.16Å; V30-Y142 HydrophobicContact CG1-CE1 4.01Å; V30-Y142 HydrophobicContact CG1-CG 4.48Å; V30-Y142 VanDerWaalsContact O-CE1 3.22Å; V30-Y142 WeakPolarHBondContact O-CE1 3.41Å; V30-Y142 PolarHBondContact O-OH 3.14Å; P54-Y142 HydrophobicContact CB-CD2 4.39Å; P54-Y142 HydrophobicContact CB-CE2 3.78Å; A58-Y142 HydrophobicContact CB-CD2 4.45Å; A58-Y142 HydrophobicContact CB-CE2 3.74Å; T62-Y142 WeakPolarHBondContact OG1-CD2 3.48Å; L63-Y142 PolarHBondContact N-O 2.88Å; Y142-P176 HydrophobicContact CD1-CB 4.15Å; Y142-P176 HydrophobicContact CD1-CG 4.2Å; Y142-P176 HydrophobicContact CE1-CG 4.3Å |
| 143 | L | 96.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.1 | 163.6 | 178.1 | 66.7 | 0 | 0 | 0 | 108.8 | L63 I65 V145 I172 V175 P176 C177 L178 | L63-L143 HydrophobicContact CB-CD1 4.25Å; L63-L143 HydrophobicContact CD2-CD1 4Å; L63-L143 HydrophobicContact CG-CD1 4.3Å; I65-L143 HydrophobicContact CD1-CD1 3.74Å; I65-L143 HydrophobicContact CG1-CD1 4.2Å; L143-V145 HydrophobicContact CD2-CG2 4.46Å; L143-V145 HydrophobicContact CG-CG2 4.34Å; L143-I172 HydrophobicContact CB-CD1 4.16Å; L143-I172 HydrophobicContact CD2-CD1 3.85Å; L143-I172 HydrophobicContact CG-CD1 4.43Å; L143-V175 HydrophobicContact CB-CG1 4.49Å; L143-P176 PolarHBondContact N-O 2.88Å; L143-C177 CarbonylContact O-C 3.55Å; L143-C177 WeakPolarHBondContact O-CA 3.3Å; L143-L178 PolarHBondContact O-N 2.9Å |
| 144 | A | 97.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y51 L63 V64 I65 L178 L180 | Y51-A144 HydrophobicContact CD1-CB 4.38Å; Y51-A144 HydrophobicContact CD2-CB 4.48Å; Y51-A144 HydrophobicContact CG-CB 4.09Å; L63-A144 PolarHBondContact O-N 3.07Å; V64-A144 WeakPolarHBondContact CA-O 3.4Å; V64-A144 HydrophobicContact CB-CB 4.49Å; V64-A144 HydrophobicContact CG1-CB 4.26Å; V64-A144 HydrophobicContact CG2-CB 4.26Å; I65-A144 PolarHBondContact N-O 2.95Å; A144-L178 CarbonylContact C-O 3.58Å; A144-L178 WeakPolarHBondContact CA-O 3.37Å; A144-L180 HydrophobicContact CB-CD1 4.36Å |
| 145 | V | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 103 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 108 | L143 A148 Y162 L165 L178 L180 L196 | L143-V145 HydrophobicContact CD2-CG2 4.46Å; L143-V145 HydrophobicContact CG-CG2 4.34Å; V145-A148 HydrophobicContact CG1-CB 4.27Å; V145-Y162 HydrophobicContact CG1-CD1 4.2Å; V145-Y162 HydrophobicContact CG1-CE1 3.72Å; V145-L165 HydrophobicContact CG1-CD1 3.96Å; V145-L165 HydrophobicContact CG2-CD1 4.44Å; V145-L178 PolarHBondContact N-O 3Å; V145-L180 PolarHBondContact O-N 3.1Å; V145-L196 HydrophobicContact CB-CD1 4.15Å; V145-L196 HydrophobicContact CG1-CD1 4.02Å; V145-L196 HydrophobicContact CG1-CD2 4.31Å; V145-L196 HydrophobicContact CG2-CD1 4.31Å; V145-L196 HydrophobicContact CG2-CD2 4.48Å |
| 146 | D | 94.4 | Very high | 89.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 151.7 | 177.1 | -174.8 | 36.9 | 0 | 0 | 0 | 110.9 | I65 S66 A148 Y162 | I65-D146 WeakPolarHBondContact O-CB 3.41Å; I65-D146 PolarHBondContact O-N 3.02Å; S66-D146 PolarHBondContact OG-OD2 3.33Å; D146-A148 PolarHBondContact O-N 3.34Å; D146-Y162 PolarHBondContact O-OH 3.49Å |
| 147 | E | 91.4 | Very high | 88.5 | Confident | 25 Ų | 25 | 27.9 Ų | 27.9 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 47.6 | -168.8 | -58.9 | -67.5 | -161.2 | 0 | 0 | 113.5 | P67 H149 C150 L180 | P67-E147 HydrophobicContact CG-CB 3.97Å; P67-E147 HydrophobicContact CG-CG 4.4Å; E147-H149 PolarHBondContact O-N 3.45Å; E147-H149 IonicContact OE2-CE1 2.75Å; E147-H149 PolarHBondContact OE2-CE1 3.35Å; E147-H149 IonicContact OE2-ND1 3.23Å; E147-H149 PolarHBondContact OE2-ND1 3.2Å; E147-C150 VanDerWaalsContact O-CB 3.31Å; E147-C150 WeakPolarHBondContact O-CB 3.44Å; E147-C150 PolarHBondContact O-N 3.5Å; E147-C150 PolarHBondContact O-SG 3.29Å; E147-L180 PolarHBondContact N-O 3.14Å |
| 148 | A | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -55.3 | -25.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V145 D146 C150 V151 A179 L180 I192 L196 | V145-A148 HydrophobicContact CG1-CB 4.27Å; D146-A148 PolarHBondContact O-N 3.34Å; A148-C150 PolarHBondContact O-N 2.98Å; A148-V151 WeakPolarHBondContact O-CG1 3.3Å; A148-V151 VanDerWaalsContact O-CG2 3.24Å; A148-V151 WeakPolarHBondContact O-CG2 3.49Å; A148-V151 PolarHBondContact O-N 3.08Å; A148-V151 VanDerWaalsContact O-N 3.1Å; A148-A179 HydrophobicContact CB-CB 4.02Å; A148-L180 WeakPolarHBondContact CB-O 3.47Å; A148-L180 PolarHBondContact N-O 3.36Å; A148-I192 HydrophobicContact CB-CD1 4.28Å; A148-I192 HydrophobicContact CB-CG1 4.43Å; A148-I192 HydrophobicContact CB-CG2 3.89Å; A148-L196 HydrophobicContact CB-CD1 4.33Å |
| 149 | H | 90.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -55.6 | -21.2 | 174.1 | 68.5 | -96.1 | 0 | 0 | 0 | 113.8 | E147 V151 S152 H156 T181 V188 I192 | E147-H149 PolarHBondContact O-N 3.45Å; E147-H149 IonicContact OE2-CE1 2.75Å; E147-H149 PolarHBondContact OE2-CE1 3.35Å; E147-H149 IonicContact OE2-ND1 3.23Å; E147-H149 PolarHBondContact OE2-ND1 3.2Å; H149-V151 PolarHBondContact O-N 3.13Å; H149-V151 VanDerWaalsContact O-N 3.13Å; H149-S152 PolarHBondContact O-N 3.4Å; H149-H156 AromaticContact CD2-CE1 3.25Å; H149-H156 PolarHBondContact CD2-CE1 3.46Å; H149-H156 AromaticContact CD2-ND1 3.9Å; H149-H156 AromaticContact CE1-CE1 3.19Å; H149-H156 PolarHBondContact CE1-CE1 3.02Å; H149-H156 AromaticContact CE1-NE2 3.99Å; H149-H156 AromaticContact CG-CE1 3.47Å; H149-H156 VanDerWaalsContact CG-CE1 3.47Å; H149-H156 AromaticContact ND1-CE1 3.43Å; H149-H156 PolarHBondContact ND1-CE1 2.94Å; H149-H156 AromaticContact NE2-CE1 3.07Å; H149-H156 PolarHBondContact NE2-CE1 2.95Å; H149-H156 AromaticContact NE2-NE2 3.61Å; H149-T181 PolarHBondContact ND1-OG1 3.17Å; H149-V188 HydrophobicContact CB-CG1 4.04Å; H149-I192 HydrophobicContact CB-CD1 4.3Å |
| 150 | C | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -59 | -18.8 | 174.6 | -69.6 | 0 | 0 | 0 | 0 | 114.2 | E147 A148 S152 D157 R159 Y162 | E147-C150 VanDerWaalsContact O-CB 3.31Å; E147-C150 WeakPolarHBondContact O-CB 3.44Å; E147-C150 PolarHBondContact O-N 3.5Å; E147-C150 PolarHBondContact O-SG 3.29Å; A148-C150 PolarHBondContact O-N 2.98Å; C150-S152 VanDerWaalsContact C-N 3.33Å; C150-D157 PolarHBondContact SG-O 3.41Å; C150-D157 VanDerWaalsContact SG-O 3.39Å; C150-R159 HydrophobicContact CB-CB 4.13Å; C150-R159 HydrophobicContact CB-CG 4.21Å; C150-R159 PolarHBondContact O-N 3.12Å; C150-Y162 HydrophobicContact CB-CD1 3.89Å; C150-Y162 HydrophobicContact CB-CD2 3.71Å; C150-Y162 HydrophobicContact CB-CE1 4.03Å; C150-Y162 HydrophobicContact CB-CE2 3.87Å; C150-Y162 HydrophobicContact CB-CG 3.73Å |
| 151 | V | 90.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -68.3 | -32.1 | 172.7 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | A148 H149 F158 Y162 L163 I192 L196 | A148-V151 WeakPolarHBondContact O-CG1 3.3Å; A148-V151 VanDerWaalsContact O-CG2 3.24Å; A148-V151 WeakPolarHBondContact O-CG2 3.49Å; A148-V151 PolarHBondContact O-N 3.08Å; A148-V151 VanDerWaalsContact O-N 3.1Å; H149-V151 PolarHBondContact O-N 3.13Å; H149-V151 VanDerWaalsContact O-N 3.13Å; V151-F158 WeakPolarHBondContact O-CE2 3.45Å; V151-Y162 HydrophobicContact CG1-CD1 3.82Å; V151-Y162 HydrophobicContact CG1-CG 4.31Å; V151-L163 VanDerWaalsContact O-CD2 3.29Å; V151-L163 WeakPolarHBondContact O-CD2 3.18Å; V151-I192 HydrophobicContact CG2-CB 4.27Å; V151-I192 HydrophobicContact CG2-CG1 3.74Å; V151-L196 HydrophobicContact CG1-CD2 3.65Å; V151-L196 HydrophobicContact CG1-CG 3.99Å |
| 152 | S | 85.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -87.3 | 134 | -167.8 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | H149 C150 W154 G155 F158 D191 | H149-S152 PolarHBondContact O-N 3.4Å; C150-S152 VanDerWaalsContact C-N 3.33Å; S152-W154 PolarHBondContact O-N 3.46Å; S152-W154 PolarHBondContact OG-N 3.24Å; S152-W154 VanDerWaalsContact OG-N 3.12Å; S152-G155 PolarHBondContact O-N 2.85Å; S152-G155 VanDerWaalsContact O-N 3.08Å; S152-F158 WeakPolarHBondContact O-CB 3Å; S152-F158 VanDerWaalsContact O-CD2 3.31Å; S152-F158 WeakPolarHBondContact O-CD2 3.38Å; S152-D191 VanDerWaalsContact CA-OD2 3.23Å; S152-D191 WeakPolarHBondContact CA-OD2 3.33Å; S152-D191 WeakPolarHBondContact CB-OD2 3.36Å; S152-D191 PolarHBondContact OG-OD2 3.07Å | ||
| 153 | Q | 76.9 | Confident | 87 | Confident | 61 Ų | 61 | 31.6 Ų | 31.6 | 29% | 0.285 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.2 | 169.7 | -82 | 157.5 | 92.6 | 0 | 0 | 112.4 | F158 T380 | Q153-F158 HydrophobicContact CG-CD1 4.1Å; Q153-F158 HydrophobicContact CG-CD2 4Å; Q153-F158 HydrophobicContact CG-CE1 3.9Å; Q153-F158 HydrophobicContact CG-CE2 3.8Å; Q153-F158 HydrophobicContact CG-CG 4.14Å; Q153-F158 HydrophobicContact CG-CZ 3.75Å; Q153-T380 HydrophobicContact CB-CG2 3.92Å |
| 154 | W | 69.8 | Low | 86.8 | Confident | 103 Ų | 103 | 35.9 Ų | 35.9 | 39% | 0.39 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -0.6 | 172.7 | -48.5 | 100.3 | 0 | 0 | 0 | 112.2 | S152 V188 T380 A383 | S152-W154 PolarHBondContact O-N 3.46Å; S152-W154 PolarHBondContact OG-N 3.24Å; S152-W154 VanDerWaalsContact OG-N 3.12Å; W154-V188 HydrophobicContact CB-CG2 3.93Å; W154-V188 WeakPolarHBondContact O-CG2 3.38Å; W154-T380 HydrophobicContact CZ2-CG2 4.09Å; W154-A383 HydrophobicContact CD2-CB 4.5Å; W154-A383 HydrophobicContact CE3-CB 3.5Å; W154-A383 VanDerWaalsContact CE3-CB 3.5Å; W154-A383 HydrophobicContact CZ3-CB 3.6Å |
| 155 | G | 70 | Confident | 86.6 | Confident | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -82.9 | 143.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S152 D157 F158 | S152-G155 PolarHBondContact O-N 2.85Å; S152-G155 VanDerWaalsContact O-N 3.08Å; G155-D157 PolarHBondContact O-N 2.8Å; G155-D157 VanDerWaalsContact O-N 3.14Å; G155-F158 PolarHBondContact O-N 3.1Å |
| 156 | H | 68.1 | Low | 86.4 | Confident | 54 Ų | 54 | 36 Ų | 36 | 25% | 0.25 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.1 | -175.4 | 62.9 | -76.1 | 0 | 0 | 0 | 114.8 | H149 A329 Q333 | H149-H156 AromaticContact CD2-CE1 3.25Å; H149-H156 PolarHBondContact CD2-CE1 3.46Å; H149-H156 AromaticContact CD2-ND1 3.9Å; H149-H156 AromaticContact CE1-CE1 3.19Å; H149-H156 PolarHBondContact CE1-CE1 3.02Å; H149-H156 AromaticContact CE1-NE2 3.99Å; H149-H156 AromaticContact CG-CE1 3.47Å; H149-H156 VanDerWaalsContact CG-CE1 3.47Å; H149-H156 AromaticContact ND1-CE1 3.43Å; H149-H156 PolarHBondContact ND1-CE1 2.94Å; H149-H156 AromaticContact NE2-CE1 3.07Å; H149-H156 PolarHBondContact NE2-CE1 2.95Å; H149-H156 AromaticContact NE2-NE2 3.61Å; H156-A329 HydrophobicContact CB-CB 4.07Å; H156-Q333 PolarHBondContact NE2-NE2 3.46Å; H156-Q333 PolarHBondContact NE2-OE1 2.92Å |
| 157 | D | 80 | Confident | 86.2 | Confident | 54 Ų | 54 | 40.7 Ų | 40.7 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 54.9 | 175.6 | -171.1 | 41.7 | 0 | 0 | 0 | 111.8 | C150 G155 R159 | C150-D157 PolarHBondContact SG-O 3.41Å; C150-D157 VanDerWaalsContact SG-O 3.39Å; G155-D157 PolarHBondContact O-N 2.8Å; G155-D157 VanDerWaalsContact O-N 3.14Å; D157-R159 PolarHBondContact O-N 3.09Å; D157-R159 IonicContact OD1-CZ 2.71Å; D157-R159 IonicContact OD1-NE 2.64Å; D157-R159 IonicContact OD1-NH2 3.87Å; D157-R159 PolarHBondContact OD1-NH2 2.93Å; D157-R159 IonicContact OD2-CZ 3.37Å; D157-R159 IonicContact OD2-NE 2.76Å; D157-R159 PolarHBondContact OD2-NE 3.07Å; D157-R159 IonicContact OD2-NH2 2.77Å; D157-R159 PolarHBondContact OD2-NH2 3.05Å |
| 158 | F | 83.8 | Confident | 86.2 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 28% | 0.276 | 19% | 0.191 | S | C | . | . | trans | -55.5 | 128.2 | 176.8 | 173.5 | -116.1 | 0 | 0 | 0 | 113.5 | V151 S152 Q153 G155 P160 L163 | V151-F158 WeakPolarHBondContact O-CE2 3.45Å; S152-F158 WeakPolarHBondContact O-CB 3Å; S152-F158 VanDerWaalsContact O-CD2 3.31Å; S152-F158 WeakPolarHBondContact O-CD2 3.38Å; Q153-F158 HydrophobicContact CG-CD1 4.1Å; Q153-F158 HydrophobicContact CG-CD2 4Å; Q153-F158 HydrophobicContact CG-CE1 3.9Å; Q153-F158 HydrophobicContact CG-CE2 3.8Å; Q153-F158 HydrophobicContact CG-CG 4.14Å; Q153-F158 HydrophobicContact CG-CZ 3.75Å; G155-F158 PolarHBondContact O-N 3.1Å; F158-P160 HydrophobicContact CE1-CG 3.83Å; F158-P160 HydrophobicContact CZ-CB 4.43Å; F158-P160 HydrophobicContact CZ-CG 4.15Å; F158-L163 HydrophobicContact CE2-CD1 4.06Å; F158-L163 HydrophobicContact CE2-CD2 4.4Å; F158-L163 HydrophobicContact CE2-CG 4.14Å; F158-L163 HydrophobicContact CZ-CD1 3.88Å; F158-L163 HydrophobicContact CZ-CG 4.41Å | ||
| 159 | R | 87.7 | Confident | 86 | Confident | 70 Ų | 70 | 40 Ų | 40 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | trans | -125.7 | 111.7 | 179.2 | -66.4 | 174.1 | -175.6 | -88.9 | -11.4 | 111 | C150 D157 D161 Y162 | C150-R159 HydrophobicContact CB-CB 4.13Å; C150-R159 HydrophobicContact CB-CG 4.21Å; C150-R159 PolarHBondContact O-N 3.12Å; D157-R159 PolarHBondContact O-N 3.09Å; D157-R159 IonicContact OD1-CZ 2.71Å; D157-R159 IonicContact OD1-NE 2.64Å; D157-R159 IonicContact OD1-NH2 3.87Å; D157-R159 PolarHBondContact OD1-NH2 2.93Å; D157-R159 IonicContact OD2-CZ 3.37Å; D157-R159 IonicContact OD2-NE 2.76Å; D157-R159 PolarHBondContact OD2-NE 3.07Å; D157-R159 IonicContact OD2-NH2 2.77Å; D157-R159 PolarHBondContact OD2-NH2 3.05Å; R159-D161 PolarHBondContact O-N 2.98Å; R159-Y162 HydrophobicContact CB-CD2 3.89Å; R159-Y162 WeakPolarHBondContact O-CB 3.28Å; R159-Y162 PolarHBondContact O-N 2.88Å | ||
| 160 | P | 86.3 | Confident | 85.9 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 53% | 0.532 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -55.1 | -29.3 | -176 | -29.2 | 35 | 0 | 0 | 0 | 116.1 | F158 Y162 L163 | F158-P160 HydrophobicContact CE1-CG 3.83Å; F158-P160 HydrophobicContact CZ-CB 4.43Å; F158-P160 HydrophobicContact CZ-CG 4.15Å; P160-Y162 VanDerWaalsContact C-N 3.26Å; P160-Y162 PolarHBondContact O-N 3.48Å; P160-L163 PolarHBondContact O-N 3.38Å |
| 161 | D | 90 | Very high | 85.8 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -68.4 | -22.5 | 177.8 | -68.5 | -68.3 | 0 | 0 | 0 | 113.5 | P119 E120 R159 L163 K164 | P119-D161 HydrophobicContact CB-CB 3.96Å; P119-D161 HydrophobicContact CG-CB 4.14Å; E120-D161 HydrophobicContact CB-CB 4.48Å; R159-D161 PolarHBondContact O-N 2.98Å; D161-L163 VanDerWaalsContact C-N 3.3Å; D161-L163 PolarHBondContact O-N 2.8Å; D161-K164 WeakPolarHBondContact O-CB 3.42Å; D161-K164 PolarHBondContact O-N 3.22Å; D161-K164 IonicContact OD1-NZ 3.67Å; D161-K164 PolarHBondContact OD1-NZ 3.27Å |
| 162 | Y | 93.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -68.1 | -27 | 175.6 | -94.8 | -104.2 | 0 | 0 | 0 | 113 | P67 P119 V145 D146 C150 V151 R159 P160 K164 L165 | P67-Y162 HydrophobicContact CB-CE2 3.93Å; P67-Y162 WeakPolarHBondContact CD-OH 3.22Å; P67-Y162 HydrophobicContact CG-CE2 4.04Å; P67-Y162 VanDerWaalsContact CG-OH 3.31Å; P67-Y162 WeakPolarHBondContact CG-OH 3.41Å; P119-Y162 HydrophobicContact CB-CD2 3.89Å; P119-Y162 HydrophobicContact CB-CE2 3.97Å; P119-Y162 HydrophobicContact CG-CD2 3.82Å; P119-Y162 HydrophobicContact CG-CE2 3.63Å; V145-Y162 HydrophobicContact CG1-CD1 4.2Å; V145-Y162 HydrophobicContact CG1-CE1 3.72Å; D146-Y162 PolarHBondContact O-OH 3.49Å; C150-Y162 HydrophobicContact CB-CD1 3.89Å; C150-Y162 HydrophobicContact CB-CD2 3.71Å; C150-Y162 HydrophobicContact CB-CE1 4.03Å; C150-Y162 HydrophobicContact CB-CE2 3.87Å; C150-Y162 HydrophobicContact CB-CG 3.73Å; V151-Y162 HydrophobicContact CG1-CD1 3.82Å; V151-Y162 HydrophobicContact CG1-CG 4.31Å; R159-Y162 HydrophobicContact CB-CD2 3.89Å; R159-Y162 WeakPolarHBondContact O-CB 3.28Å; R159-Y162 PolarHBondContact O-N 2.88Å; P160-Y162 VanDerWaalsContact C-N 3.26Å; P160-Y162 PolarHBondContact O-N 3.48Å; Y162-K164 PolarHBondContact O-N 3.33Å; Y162-L165 HydrophobicContact CD1-CD1 3.65Å; Y162-L165 HydrophobicContact CE1-CD1 4.03Å; Y162-L165 HydrophobicContact CG-CD1 4.14Å; Y162-L165 VanDerWaalsContact O-CB 3.28Å; Y162-L165 WeakPolarHBondContact O-CB 3.5Å; Y162-L165 VanDerWaalsContact O-CG 3.27Å; Y162-L165 WeakPolarHBondContact O-CG 3.36Å; Y162-L165 PolarHBondContact O-N 3.27Å; Y162-L165 VanDerWaalsContact O-N 3.07Å |
| 163 | L | 91.8 | Very high | 85.6 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -62.7 | -24.3 | 175.7 | -65.1 | 176.4 | 0 | 0 | 0 | 112.9 | V151 F158 P160 D161 L165 | V151-L163 VanDerWaalsContact O-CD2 3.29Å; V151-L163 WeakPolarHBondContact O-CD2 3.18Å; F158-L163 HydrophobicContact CE2-CD1 4.06Å; F158-L163 HydrophobicContact CE2-CD2 4.4Å; F158-L163 HydrophobicContact CE2-CG 4.14Å; F158-L163 HydrophobicContact CZ-CD1 3.88Å; F158-L163 HydrophobicContact CZ-CG 4.41Å; P160-L163 PolarHBondContact O-N 3.38Å; D161-L163 VanDerWaalsContact C-N 3.3Å; D161-L163 PolarHBondContact O-N 2.8Å; L163-L165 PolarHBondContact O-N 3.24Å |
| 164 | K | 91.9 | Very high | 85.9 | Confident | 91 Ų | 91 | 53.6 Ų | 53.6 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -72.5 | -13.1 | 178.1 | -57 | 172.2 | -174.8 | 167.7 | 0 | 112.5 | A123 D161 Y162 E167 L168 | A123-K164 HydrophobicContact CB-CB 3.98Å; A123-K164 HydrophobicContact CB-CD 3.67Å; A123-K164 HydrophobicContact CB-CG 4.47Å; D161-K164 WeakPolarHBondContact O-CB 3.42Å; D161-K164 PolarHBondContact O-N 3.22Å; D161-K164 IonicContact OD1-NZ 3.67Å; D161-K164 PolarHBondContact OD1-NZ 3.27Å; Y162-K164 PolarHBondContact O-N 3.33Å; K164-E167 PolarHBondContact O-N 3.24Å; K164-L168 PolarHBondContact O-N 3.29Å |
| 165 | L | 93.8 | Very high | 87 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.2 | -27.1 | -176.6 | -56.9 | -174.6 | 0 | 0 | 0 | 112.9 | I65 V122 V145 Y162 L163 E167 L168 R169 L196 | I65-L165 HydrophobicContact CD1-CD1 4.09Å; I65-L165 HydrophobicContact CD1-CD2 3.66Å; I65-L165 HydrophobicContact CD1-CG 4.45Å; I65-L165 HydrophobicContact CG2-CD1 3.95Å; I65-L165 HydrophobicContact CG2-CD2 4.46Å; V122-L165 HydrophobicContact CG1-CD2 3.85Å; V145-L165 HydrophobicContact CG1-CD1 3.96Å; V145-L165 HydrophobicContact CG2-CD1 4.44Å; Y162-L165 HydrophobicContact CD1-CD1 3.65Å; Y162-L165 HydrophobicContact CE1-CD1 4.03Å; Y162-L165 HydrophobicContact CG-CD1 4.14Å; Y162-L165 VanDerWaalsContact O-CB 3.28Å; Y162-L165 WeakPolarHBondContact O-CB 3.5Å; Y162-L165 VanDerWaalsContact O-CG 3.27Å; Y162-L165 WeakPolarHBondContact O-CG 3.36Å; Y162-L165 PolarHBondContact O-N 3.27Å; Y162-L165 VanDerWaalsContact O-N 3.07Å; L163-L165 PolarHBondContact O-N 3.24Å; L165-E167 VanDerWaalsContact C-N 3.34Å; L165-E167 PolarHBondContact O-N 3.03Å; L165-L168 HydrophobicContact CD2-CD2 4.12Å; L165-L168 WeakPolarHBondContact O-CB 3.23Å; L165-L168 PolarHBondContact O-N 3.38Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L165-R169 WeakPolarHBondContact O-CB 3.49Å; L165-R169 PolarHBondContact O-N 2.74Å; L165-L196 HydrophobicContact CB-CD2 3.71Å; L165-L196 HydrophobicContact CD1-CD2 4.29Å |
| 166 | G | 92.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | A170 S195 | G166-A170 PolarHBondContact O-N 3.44Å; G166-S195 VanDerWaalsContact CA-O 3.3Å; G166-S195 WeakPolarHBondContact CA-O 3.44Å |
| 167 | E | 90.5 | Very high | 89.5 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -72.1 | -29.8 | 172 | -62.6 | -179.3 | 179.7 | 0 | 0 | 112.6 | K164 L165 R171 | K164-E167 PolarHBondContact O-N 3.24Å; L165-E167 VanDerWaalsContact C-N 3.34Å; L165-E167 PolarHBondContact O-N 3.03Å; E167-R171 PolarHBondContact O-N 2.72Å; E167-R171 PolarHBondContact O-NE 2.91Å; E167-R171 IonicContact OE2-NH2 2.88Å |
| 168 | L | 90.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 173.4 | -166.6 | 77.6 | 0 | 0 | 0 | 110.1 | I65 V122 L131 K164 L165 A170 R171 I172 | I65-L168 HydrophobicContact CD1-CD2 3.93Å; V122-L168 HydrophobicContact CG1-CD2 4.25Å; V122-L168 HydrophobicContact CG2-CD1 4.21Å; V122-L168 HydrophobicContact CG2-CD2 3.55Å; L131-L168 HydrophobicContact CD2-CD1 3.47Å; L131-L168 VanDerWaalsContact CD2-CD1 3.47Å; L131-L168 HydrophobicContact CD2-CG 4.11Å; K164-L168 PolarHBondContact O-N 3.29Å; L165-L168 HydrophobicContact CD2-CD2 4.12Å; L165-L168 WeakPolarHBondContact O-CB 3.23Å; L165-L168 PolarHBondContact O-N 3.38Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 3.46Å; L168-R171 WeakPolarHBondContact O-CB 3.3Å; L168-R171 PolarHBondContact O-N 3.42Å; L168-I172 PolarHBondContact O-N 2.72Å |
| 169 | R | 91.5 | Very high | 91 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.3 | -46.8 | 176.2 | 178.5 | 73.9 | -170 | 116 | -23.6 | 111.6 | D36 L165 R171 I172 V175 L196 R197 | D36-R169 IonicContact OD1-CZ 3.52Å; D36-R169 IonicContact OD1-NH2 3.66Å; D36-R169 PolarHBondContact OD1-NH2 2.95Å; D36-R169 IonicContact OD2-CZ 3.89Å; D36-R169 IonicContact OD2-NE 2.64Å; D36-R169 PolarHBondContact OD2-NE 3.47Å; D36-R169 IonicContact OD2-NH2 2.74Å; D36-R169 PolarHBondContact OD2-NH2 2.93Å; L165-R169 WeakPolarHBondContact O-CB 3.49Å; L165-R169 PolarHBondContact O-N 2.74Å; R169-R171 PolarHBondContact O-N 3.06Å; R169-I172 PolarHBondContact NH1-O 3.4Å; R169-I172 PolarHBondContact O-N 3.18Å; R169-I172 VanDerWaalsContact O-N 3.13Å; R169-V175 PolarHBondContact NH1-O 3.04Å; R169-V175 PolarHBondContact NH2-O 3.33Å; R169-L196 WeakPolarHBondContact CB-O 3.16Å; R169-L196 WeakPolarHBondContact CG-O 3.29Å; R169-R197 HydrophobicContact CG-CB 4.49Å |
| 170 | A | 88.9 | Confident | 91.3 | Very high | 59 Ų | 59 | 39 Ų | 39 | 49% | 0.488 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63 | -26.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G166 L168 | G166-A170 PolarHBondContact O-N 3.44Å; L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 3.46Å |
| 171 | R | 87.3 | Confident | 91.6 | Very high | 124 Ų | 124 | 35.1 Ų | 35.1 | 47% | 0.468 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.3 | 176.8 | -77.7 | 174.2 | -84.6 | -173.5 | -21.8 | 114.2 | E167 L168 R169 P173 | E167-R171 PolarHBondContact O-N 2.72Å; E167-R171 PolarHBondContact O-NE 2.91Å; E167-R171 IonicContact OE2-NH2 2.88Å; L168-R171 WeakPolarHBondContact O-CB 3.3Å; L168-R171 PolarHBondContact O-N 3.42Å; R169-R171 PolarHBondContact O-N 3.06Å; R171-P173 WeakPolarHBondContact O-CD 3.29Å |
| 172 | I | 89.3 | Confident | 91.4 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -121.5 | 58.3 | 179.8 | 64.7 | 170.6 | 0 | 0 | 0 | 112.1 | L131 C135 L140 L143 L168 R169 V175 | L131-I172 HydrophobicContact CD2-CG2 4.29Å; L131-I172 HydrophobicContact CG-CG2 4.32Å; C135-I172 WeakPolarHBondContact SG-CG2 3.4Å; L140-I172 HydrophobicContact CD2-CD1 4.03Å; L143-I172 HydrophobicContact CB-CD1 4.16Å; L143-I172 HydrophobicContact CD2-CD1 3.85Å; L143-I172 HydrophobicContact CG-CD1 4.43Å; L168-I172 PolarHBondContact O-N 2.72Å; R169-I172 PolarHBondContact NH1-O 3.4Å; R169-I172 PolarHBondContact O-N 3.18Å; R169-I172 VanDerWaalsContact O-N 3.13Å; I172-V175 HydrophobicContact CB-CG2 4.46Å; I172-V175 HydrophobicContact CD1-CB 4.4Å |
| 173 | P | 82.2 | Confident | 90.6 | Very high | 102 Ų | 102 | 33 Ų | 33 | 66% | 0.662 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 144.2 | 176.5 | 28.9 | -35.6 | 0 | 0 | 0 | 110.7 | R171 V175 | R171-P173 WeakPolarHBondContact O-CD 3.29Å; P173-V175 PolarHBondContact O-N 3.26Å |
| 174 | G | 85 | Confident | 90.3 | Very high | 60 Ų | 60 | 29.7 Ų | 29.7 | 62% | 0.619 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92 | -32.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 175 | V | 93 | Very high | 90.1 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -73 | 129.1 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | L140 L143 R169 I172 P173 | L140-V175 HydrophobicContact CB-CG2 4.33Å; L140-V175 HydrophobicContact CD2-CG1 4.27Å; L140-V175 HydrophobicContact CD2-CG2 4.12Å; L140-V175 HydrophobicContact CG-CG1 4.05Å; L140-V175 HydrophobicContact CG-CG2 4.18Å; L143-V175 HydrophobicContact CB-CG1 4.49Å; R169-V175 PolarHBondContact NH1-O 3.04Å; R169-V175 PolarHBondContact NH2-O 3.33Å; I172-V175 HydrophobicContact CB-CG2 4.46Å; I172-V175 HydrophobicContact CD1-CB 4.4Å; P173-V175 PolarHBondContact O-N 3.26Å |
| 176 | P | 94.3 | Very high | 89.8 | Confident | 22 Ų | 22 | 31.7 Ų | 31.7 | 14% | 0.143 | 18% | 0.183 | C | C | . | . | trans | -68.6 | 140.1 | 172.9 | -19 | 33 | 0 | 0 | 0 | 111.8 | G33 S141 Y142 L143 | G33-P176 WeakPolarHBondContact O-CG 3.33Å; S141-P176 WeakPolarHBondContact O-CD 3.21Å; Y142-P176 HydrophobicContact CD1-CB 4.15Å; Y142-P176 HydrophobicContact CD1-CG 4.2Å; Y142-P176 HydrophobicContact CE1-CG 4.3Å; L143-P176 PolarHBondContact N-O 2.88Å | ||
| 177 | C | 96.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.02 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130 | 179.5 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | D36 V37 L143 L198 | D36-C177 CarbonylContact C-O 3.49Å; D36-C177 VanDerWaalsContact CA-O 3.26Å; D36-C177 WeakPolarHBondContact CA-O 3.33Å; D36-C177 HydrophobicContact CB-CB 4.48Å; D36-C177 WeakPolarHBondContact CB-O 3.46Å; D36-C177 PolarHBondContact OD1-N 3.15Å; V37-C177 PolarHBondContact N-O 3.12Å; L143-C177 CarbonylContact O-C 3.55Å; L143-C177 WeakPolarHBondContact O-CA 3.3Å; C177-L198 HydrophobicContact CB-CD2 3.91Å; C177-L198 VanDerWaalsContact SG-CD2 3.54Å |
| 178 | L | 97 | Very high | 89.6 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116 | 177.8 | 171.6 | 70.5 | 0 | 0 | 0 | 108.8 | V30 V37 V39 L143 A144 V145 L180 | V30-L178 HydrophobicContact CG2-CD1 3.92Å; V30-L178 HydrophobicContact CG2-CD2 3.97Å; V30-L178 HydrophobicContact CG2-CG 4.41Å; V37-L178 HydrophobicContact CB-CD1 3.6Å; V37-L178 HydrophobicContact CG1-CD1 3.56Å; V37-L178 CarbonylContact O-C 3.53Å; V37-L178 VanDerWaalsContact O-CA 3.32Å; V37-L178 WeakPolarHBondContact O-CA 3.26Å; V39-L178 HydrophobicContact CG2-CD1 3.59Å; L143-L178 PolarHBondContact O-N 2.9Å; A144-L178 CarbonylContact C-O 3.58Å; A144-L178 WeakPolarHBondContact CA-O 3.37Å; V145-L178 PolarHBondContact N-O 3Å; L178-L180 HydrophobicContact CD1-CG 4.37Å; L178-L180 HydrophobicContact CD2-CD1 3.86Å; L178-L180 HydrophobicContact CD2-CD2 4.25Å; L178-L180 HydrophobicContact CD2-CG 4.24Å; L178-L180 HydrophobicContact CG-CD1 3.73Å; L178-L180 HydrophobicContact CG-CD2 4.46Å; L178-L180 HydrophobicContact CG-CG 3.98Å |
| 179 | A | 97.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V37 F38 V39 A148 I192 L196 L198 | V37-A179 PolarHBondContact O-N 3.36Å; F38-A179 HydrophobicContact CD2-CB 4.14Å; V39-A179 PolarHBondContact N-O 3.26Å; A148-A179 HydrophobicContact CB-CB 4.02Å; A179-I192 HydrophobicContact CB-CG2 4.05Å; A179-L196 HydrophobicContact CB-CD1 3.67Å; A179-L198 HydrophobicContact CB-CD1 3.85Å |
| 180 | L | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.1 | -178.2 | -50.8 | 101.6 | 0 | 0 | 0 | 110.9 | V39 K47 C50 Y51 A144 V145 E147 A148 L178 | V39-L180 HydrophobicContact CB-CD2 4.39Å; V39-L180 HydrophobicContact CB-CG 4.34Å; V39-L180 HydrophobicContact CG1-CD2 4.49Å; V39-L180 CarbonylContact O-C 3.41Å; V39-L180 WeakPolarHBondContact O-CA 3.35Å; K47-L180 HydrophobicContact CB-CD2 4.06Å; K47-L180 HydrophobicContact CD-CB 4.47Å; K47-L180 VanDerWaalsContact O-CD2 3.32Å; K47-L180 WeakPolarHBondContact O-CD2 3.37Å; C50-L180 HydrophobicContact CB-CD2 4.32Å; Y51-L180 HydrophobicContact CD1-CD1 3.77Å; Y51-L180 HydrophobicContact CD1-CD2 3.93Å; Y51-L180 HydrophobicContact CE1-CD1 4.22Å; Y51-L180 HydrophobicContact CE1-CD2 4.4Å; A144-L180 HydrophobicContact CB-CD1 4.36Å; V145-L180 PolarHBondContact O-N 3.1Å; E147-L180 PolarHBondContact N-O 3.14Å; A148-L180 WeakPolarHBondContact CB-O 3.47Å; A148-L180 PolarHBondContact N-O 3.36Å; L178-L180 HydrophobicContact CD1-CG 4.37Å; L178-L180 HydrophobicContact CD2-CD1 3.86Å; L178-L180 HydrophobicContact CD2-CD2 4.25Å; L178-L180 HydrophobicContact CD2-CG 4.24Å; L178-L180 HydrophobicContact CG-CD1 3.73Å; L178-L180 HydrophobicContact CG-CD2 4.46Å; L178-L180 HydrophobicContact CG-CG 3.98Å |
| 181 | T | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.4 | 170 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | F38 V39 C40 M41 K47 H149 T183 A184 I192 | F38-T181 HydrophobicContact CE2-CG2 4.13Å; F38-T181 HydrophobicContact CZ-CG2 4.06Å; V39-T181 PolarHBondContact O-N 3.42Å; C40-T181 HydrophobicContact CB-CG2 4.09Å; M41-T181 PolarHBondContact N-O 3.25Å; K47-T181 VanDerWaalsContact CD-O 3.32Å; K47-T181 WeakPolarHBondContact CD-O 3.29Å; H149-T181 PolarHBondContact ND1-OG1 3.17Å; T181-T183 PolarHBondContact OG1-O 3.12Å; T181-A184 HydrophobicContact CG2-CB 3.87Å; T181-I192 HydrophobicContact CG2-CD1 4.32Å |
| 182 | A | 85.1 | Confident | 90.1 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -69.3 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M41 T43 | M41-A182 CarbonylContact C-O 3.56Å; M41-A182 VanDerWaalsContact C-O 3.24Å; M41-A182 CarbonylContact O-C 3.59Å; M41-A182 VanDerWaalsContact O-CA 3.29Å; M41-A182 WeakPolarHBondContact O-CA 3.37Å; T43-A182 VanDerWaalsContact OG1-CB 3.31Å; T43-A182 WeakPolarHBondContact OG1-CB 3.47Å |
| 183 | T | 78.1 | Confident | 90.4 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -157.6 | 141.4 | -177.7 | 42.8 | 0 | 0 | 0 | 0 | 109.1 | T181 V208 Y332 F409 | T181-T183 PolarHBondContact OG1-O 3.12Å; T183-V208 HydrophobicContact CG2-CG1 4.46Å; T183-Y332 HydrophobicContact CG2-CD1 3.51Å; T183-Y332 HydrophobicContact CG2-CE1 3.27Å; T183-F409 HydrophobicContact CG2-CE1 4.16Å; T183-F409 HydrophobicContact CG2-CZ 4.12Å | ||
| 184 | A | 85.2 | Confident | 90.9 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | trans | -152.1 | 124.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108.5 | T181 V188 Q189 I192 | T181-A184 HydrophobicContact CG2-CB 3.87Å; A184-V188 HydrophobicContact CB-CB 4.02Å; A184-V188 HydrophobicContact CB-CG1 3.77Å; A184-Q189 HydrophobicContact CB-CG 3.69Å; A184-Q189 WeakPolarHBondContact O-CG 3.29Å; A184-Q189 PolarHBondContact O-NE2 3.38Å; A184-I192 HydrophobicContact CB-CD1 4.2Å | ||
| 185 | P | 86.2 | Confident | 91.3 | Very high | 18 Ų | 18 | 32 Ų | 32 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | trans | -58.8 | 155.7 | 165.8 | -23.1 | 35.3 | 0 | 0 | 0 | 110.7 | N187 V188 Q189 F408 F409 | P185-N187 VanDerWaalsContact C-N 3.33Å; P185-N187 WeakPolarHBondContact CB-OD1 3.46Å; P185-N187 PolarHBondContact O-N 3.36Å; P185-V188 WeakPolarHBondContact O-CA 3.46Å; P185-V188 WeakPolarHBondContact O-CB 3.45Å; P185-V188 PolarHBondContact O-N 3.19Å; P185-Q189 PolarHBondContact O-N 3.36Å; P185-F408 HydrophobicContact CG-CD1 4.22Å; P185-F408 HydrophobicContact CG-CE1 3.63Å; P185-F408 HydrophobicContact CG-CZ 4.11Å; P185-F409 HydrophobicContact CB-CD1 4.46Å; P185-F409 HydrophobicContact CG-CD1 3.8Å; P185-F409 HydrophobicContact CG-CE1 3.98Å | ||
| 186 | K | 87.8 | Confident | 91.4 | Very high | 119 Ų | 119 | 31.4 Ų | 31.4 | 52% | 0.517 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -50.9 | -44.6 | -171.5 | -75.8 | 176.7 | 169.2 | 166.6 | 0 | 114.8 | V188 Q189 E190 G410 | K186-V188 VanDerWaalsContact C-N 3.3Å; K186-V188 PolarHBondContact O-N 3.09Å; K186-Q189 WeakPolarHBondContact O-CB 3.37Å; K186-Q189 PolarHBondContact O-N 2.91Å; K186-Q189 VanDerWaalsContact O-N 3.07Å; K186-E190 WeakPolarHBondContact O-CG 3.43Å; K186-E190 PolarHBondContact O-N 3.48Å; K186-G410 WeakPolarHBondContact CE-O 3.42Å; K186-G410 PolarHBondContact NZ-O 3.22Å |
| 187 | N | 88.1 | Confident | 91.4 | Very high | 77 Ų | 77 | 37.1 Ų | 37.1 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.9 | -36.4 | 174.9 | 63.5 | -32.5 | 0 | 0 | 0 | 113.1 | P185 D191 | P185-N187 VanDerWaalsContact C-N 3.33Å; P185-N187 WeakPolarHBondContact CB-OD1 3.46Å; P185-N187 PolarHBondContact O-N 3.36Å; N187-D191 WeakPolarHBondContact O-CB 3.21Å; N187-D191 PolarHBondContact O-N 3.41Å |
| 188 | V | 90.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -35.7 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 111 | H149 W154 A184 P185 K186 D191 I192 | H149-V188 HydrophobicContact CB-CG1 4.04Å; W154-V188 HydrophobicContact CB-CG2 3.93Å; W154-V188 WeakPolarHBondContact O-CG2 3.38Å; A184-V188 HydrophobicContact CB-CB 4.02Å; A184-V188 HydrophobicContact CB-CG1 3.77Å; P185-V188 WeakPolarHBondContact O-CA 3.46Å; P185-V188 WeakPolarHBondContact O-CB 3.45Å; P185-V188 PolarHBondContact O-N 3.19Å; K186-V188 VanDerWaalsContact C-N 3.3Å; K186-V188 PolarHBondContact O-N 3.09Å; V188-D191 PolarHBondContact O-N 3.29Å; V188-I192 HydrophobicContact CG1-CD1 4.06Å; V188-I192 HydrophobicContact CG1-CG1 4.42Å; V188-I192 WeakPolarHBondContact O-CB 3.3Å; V188-I192 WeakPolarHBondContact O-CD1 3.45Å; V188-I192 WeakPolarHBondContact O-CG1 3.47Å; V188-I192 PolarHBondContact O-N 3.06Å |
| 189 | Q | 92 | Very high | 90.9 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.6 | -56.9 | -178.1 | 23.8 | 0 | 0 | 111.3 | F38 A184 P185 K186 I192 V193 | F38-Q189 HydrophobicContact CE1-CB 3.97Å; F38-Q189 HydrophobicContact CE1-CG 3.9Å; F38-Q189 HydrophobicContact CZ-CB 3.99Å; F38-Q189 HydrophobicContact CZ-CG 3.84Å; A184-Q189 HydrophobicContact CB-CG 3.69Å; A184-Q189 WeakPolarHBondContact O-CG 3.29Å; A184-Q189 PolarHBondContact O-NE2 3.38Å; P185-Q189 PolarHBondContact O-N 3.36Å; K186-Q189 WeakPolarHBondContact O-CB 3.37Å; K186-Q189 PolarHBondContact O-N 2.91Å; K186-Q189 VanDerWaalsContact O-N 3.07Å; Q189-I192 PolarHBondContact O-N 3.19Å; Q189-V193 WeakPolarHBondContact O-CG2 3.46Å; Q189-V193 PolarHBondContact O-N 2.91Å; Q189-V193 VanDerWaalsContact O-N 3.11Å |
| 190 | E | 91.4 | Very high | 90.4 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 57% | 0.57 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.6 | -46 | 176.7 | -70.3 | 166.7 | -172.8 | 0 | 0 | 112 | K186 I192 V193 Q194 | K186-E190 WeakPolarHBondContact O-CG 3.43Å; K186-E190 PolarHBondContact O-N 3.48Å; E190-I192 VanDerWaalsContact C-N 3.32Å; E190-I192 PolarHBondContact O-N 3.02Å; E190-V193 PolarHBondContact O-N 2.89Å; E190-Q194 WeakPolarHBondContact O-CB 3.45Å; E190-Q194 PolarHBondContact O-N 2.94Å |
| 191 | D | 92.5 | Very high | 90.3 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 174.9 | -170.2 | 0.6 | 0 | 0 | 0 | 111.5 | S152 N187 V188 V193 Q194 S195 | S152-D191 VanDerWaalsContact CA-OD2 3.23Å; S152-D191 WeakPolarHBondContact CA-OD2 3.33Å; S152-D191 WeakPolarHBondContact CB-OD2 3.36Å; S152-D191 PolarHBondContact OG-OD2 3.07Å; N187-D191 WeakPolarHBondContact O-CB 3.21Å; N187-D191 PolarHBondContact O-N 3.41Å; V188-D191 PolarHBondContact O-N 3.29Å; D191-V193 PolarHBondContact O-N 3.4Å; D191-Q194 PolarHBondContact O-N 3.38Å; D191-S195 WeakPolarHBondContact O-CB 3.49Å; D191-S195 PolarHBondContact O-N 3.01Å; D191-S195 PolarHBondContact O-OG 3.03Å; D191-S195 PolarHBondContact OD1-OG 3.22Å |
| 192 | I | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -50 | 173.1 | -70 | 162 | 0 | 0 | 0 | 111.5 | F38 A148 H149 V151 A179 T181 A184 V188 Q189 E190 Q194 L196 | F38-I192 HydrophobicContact CD2-CG2 4.07Å; F38-I192 HydrophobicContact CE2-CB 4.35Å; F38-I192 HydrophobicContact CE2-CD1 3.9Å; F38-I192 HydrophobicContact CE2-CG2 3.92Å; F38-I192 HydrophobicContact CZ-CD1 4.33Å; A148-I192 HydrophobicContact CB-CD1 4.28Å; A148-I192 HydrophobicContact CB-CG1 4.43Å; A148-I192 HydrophobicContact CB-CG2 3.89Å; H149-I192 HydrophobicContact CB-CD1 4.3Å; V151-I192 HydrophobicContact CG2-CB 4.27Å; V151-I192 HydrophobicContact CG2-CG1 3.74Å; A179-I192 HydrophobicContact CB-CG2 4.05Å; T181-I192 HydrophobicContact CG2-CD1 4.32Å; A184-I192 HydrophobicContact CB-CD1 4.2Å; V188-I192 HydrophobicContact CG1-CD1 4.06Å; V188-I192 HydrophobicContact CG1-CG1 4.42Å; V188-I192 WeakPolarHBondContact O-CB 3.3Å; V188-I192 WeakPolarHBondContact O-CD1 3.45Å; V188-I192 WeakPolarHBondContact O-CG1 3.47Å; V188-I192 PolarHBondContact O-N 3.06Å; Q189-I192 PolarHBondContact O-N 3.19Å; E190-I192 VanDerWaalsContact C-N 3.32Å; E190-I192 PolarHBondContact O-N 3.02Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; I192-Q194 PolarHBondContact O-N 2.64Å; I192-L196 HydrophobicContact CG2-CD1 3.88Å; I192-L196 VanDerWaalsContact O-CB 3.3Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 2.88Å |
| 193 | V | 94.3 | Very high | 90.9 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | -179.5 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | Q189 E190 D191 R197 L198 P201 | Q189-V193 WeakPolarHBondContact O-CG2 3.46Å; Q189-V193 PolarHBondContact O-N 2.91Å; Q189-V193 VanDerWaalsContact O-N 3.11Å; E190-V193 PolarHBondContact O-N 2.89Å; D191-V193 PolarHBondContact O-N 3.4Å; V193-R197 PolarHBondContact O-N 3.43Å; V193-L198 HydrophobicContact CG1-CB 4.39Å; V193-L198 HydrophobicContact CG2-CD1 4.28Å; V193-L198 PolarHBondContact O-N 2.98Å; V193-P201 HydrophobicContact CG1-CG 3.93Å; V193-P201 HydrophobicContact CG2-CG 4.04Å |
| 194 | Q | 93.7 | Very high | 91.6 | Very high | 153 Ų | 153 | 50.4 Ų | 50.4 | 72% | 0.715 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -71.1 | -51.4 | -179.1 | -171.9 | 177.7 | 9.6 | 0 | 0 | 112.5 | E190 D191 I192 L196 R197 | E190-Q194 WeakPolarHBondContact O-CB 3.45Å; E190-Q194 PolarHBondContact O-N 2.94Å; D191-Q194 PolarHBondContact O-N 3.38Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; I192-Q194 PolarHBondContact O-N 2.64Å; Q194-L196 PolarHBondContact O-N 3.36Å; Q194-R197 PolarHBondContact O-N 2.93Å |
| 195 | S | 93.8 | Very high | 91.8 | Very high | 32 Ų | 32 | 51 Ų | 51 | 22% | 0.224 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.2 | -35.7 | -176.2 | -75.1 | 0 | 0 | 0 | 0 | 112.8 | G166 D191 R197 | G166-S195 VanDerWaalsContact CA-O 3.3Å; G166-S195 WeakPolarHBondContact CA-O 3.44Å; D191-S195 WeakPolarHBondContact O-CB 3.49Å; D191-S195 PolarHBondContact O-N 3.01Å; D191-S195 PolarHBondContact O-OG 3.03Å; D191-S195 PolarHBondContact OD1-OG 3.22Å; S195-R197 VanDerWaalsContact C-N 3.31Å |
| 196 | L | 94.8 | Very high | 92 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.6 | 172 | -64.6 | -179.4 | 0 | 0 | 0 | 113.7 | V145 A148 V151 L165 R169 A179 I192 Q194 L198 | V145-L196 HydrophobicContact CB-CD1 4.15Å; V145-L196 HydrophobicContact CG1-CD1 4.02Å; V145-L196 HydrophobicContact CG1-CD2 4.31Å; V145-L196 HydrophobicContact CG2-CD1 4.31Å; V145-L196 HydrophobicContact CG2-CD2 4.48Å; A148-L196 HydrophobicContact CB-CD1 4.33Å; V151-L196 HydrophobicContact CG1-CD2 3.65Å; V151-L196 HydrophobicContact CG1-CG 3.99Å; L165-L196 HydrophobicContact CB-CD2 3.71Å; L165-L196 HydrophobicContact CD1-CD2 4.29Å; R169-L196 WeakPolarHBondContact CB-O 3.16Å; R169-L196 WeakPolarHBondContact CG-O 3.29Å; A179-L196 HydrophobicContact CB-CD1 3.67Å; I192-L196 HydrophobicContact CG2-CD1 3.88Å; I192-L196 VanDerWaalsContact O-CB 3.3Å; I192-L196 WeakPolarHBondContact O-CB 3.43Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 2.88Å; Q194-L196 PolarHBondContact O-N 3.36Å; L196-L198 HydrophobicContact CB-CD2 3.83Å; L196-L198 HydrophobicContact CB-CG 4.01Å; L196-L198 HydrophobicContact CD1-CD2 4.47Å |
| 197 | R | 94.8 | Very high | 91.9 | Very high | 142 Ų | 142 | 48.3 Ų | 48.3 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 48.7 | -176 | -53 | -177.2 | -176.9 | -178.6 | -0.1 | 112.4 | R169 V193 Q194 S195 | R169-R197 HydrophobicContact CG-CB 4.49Å; V193-R197 PolarHBondContact O-N 3.43Å; Q194-R197 PolarHBondContact O-N 2.93Å; S195-R197 VanDerWaalsContact C-N 3.31Å |
| 198 | L | 93.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | trans | -68.9 | 135.3 | 179 | -56.1 | -176.3 | 0 | 0 | 0 | 110.7 | D36 C177 A179 V193 L196 C200 P201 | D36-L198 HydrophobicContact CB-CB 4.23Å; D36-L198 WeakPolarHBondContact OD2-CA 3.44Å; C177-L198 HydrophobicContact CB-CD2 3.91Å; C177-L198 VanDerWaalsContact SG-CD2 3.54Å; A179-L198 HydrophobicContact CB-CD1 3.85Å; V193-L198 HydrophobicContact CG1-CB 4.39Å; V193-L198 HydrophobicContact CG2-CD1 4.28Å; V193-L198 PolarHBondContact O-N 2.98Å; L196-L198 HydrophobicContact CB-CD2 3.83Å; L196-L198 HydrophobicContact CB-CG 4.01Å; L196-L198 HydrophobicContact CD1-CD2 4.47Å; L198-C200 PolarHBondContact O-N 3.3Å; L198-P201 HydrophobicContact CB-CB 4.11Å; L198-P201 HydrophobicContact CB-CG 3.99Å; L198-P201 HydrophobicContact CD1-CB 4.26Å; L198-P201 HydrophobicContact CD1-CG 4.45Å | ||
| 199 | R | 88.8 | Confident | 91.9 | Very high | 125 Ų | 125 | 47.8 Ų | 47.8 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -93.4 | 102.8 | -175.2 | -65.5 | -176.1 | -69.6 | 154 | 4.6 | 110.5 | D36 | D36-R199 PolarHBondContact OD2-N 3.42Š|
| 200 | C | 87.4 | Confident | 91.9 | Very high | 86 Ų | 86 | 48 Ų | 48 | 58% | 0.581 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 42.6 | 62 | -178.5 | -162.4 | 0 | 0 | 0 | 0 | 112.8 | L198 | L198-C200 PolarHBondContact O-N 3.3Š|
| 201 | P | 93 | Very high | 91.8 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 16% | 0.156 | 24% | 0.242 | C | C | . | . | trans | -70 | 140.6 | -169.5 | 28.6 | -34.7 | 0 | 0 | 0 | 112.4 | D36 F38 V193 L198 S203 | D36-P201 HydrophobicContact CB-CB 4.29Å; D36-P201 CarbonylContact O-C 3.48Å; D36-P201 WeakPolarHBondContact O-CA 3.49Å; F38-P201 HydrophobicContact CB-CB 4.42Å; V193-P201 HydrophobicContact CG1-CG 3.93Å; V193-P201 HydrophobicContact CG2-CG 4.04Å; L198-P201 HydrophobicContact CB-CB 4.11Å; L198-P201 HydrophobicContact CB-CG 3.99Å; L198-P201 HydrophobicContact CD1-CB 4.26Å; L198-P201 HydrophobicContact CD1-CG 4.45Å; P201-S203 PolarHBondContact O-N 3.06Å | ||
| 202 | M | 94.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.7 | 162.6 | -69.4 | -172.7 | -88.9 | 0 | 0 | 108.9 | A29 R35 D36 V37 F38 F204 | A29-M202 HydrophobicContact CB-CE 3.6Å; A29-M202 HydrophobicContact CB-SD 4.12Å; R35-M202 HydrophobicContact CB-CE 3.87Å; R35-M202 HydrophobicContact CB-CG 4.28Å; R35-M202 HydrophobicContact CG-CE 4.33Å; R35-M202 PolarHBondContact NE-SD 2.98Å; R35-M202 PolarHBondContact NH2-SD 3.46Å; R35-M202 VanDerWaalsContact NH2-SD 3.41Å; D36-M202 PolarHBondContact O-N 2.96Å; V37-M202 WeakPolarHBondContact CA-O 3.44Å; V37-M202 HydrophobicContact CG2-CE 4.31Å; F38-M202 PolarHBondContact N-O 3.18Å; M202-F204 HydrophobicContact CB-CD2 4.38Å; M202-F204 HydrophobicContact CB-CE2 3.65Å; M202-F204 HydrophobicContact CB-CZ 4.29Å |
| 203 | S | 93.6 | Very high | 91.8 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 120.6 | -178.6 | -70.2 | 0 | 0 | 0 | 0 | 111.7 | P201 I801 | P201-S203 PolarHBondContact O-N 3.06Å; S203-I801 PolarHBondContact O-N 3.32Å |
| 204 | F | 93.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 115.3 | 175.4 | -60.8 | -91.8 | 0 | 0 | 0 | 109.3 | L22 D25 V26 A29 V37 F38 C40 M202 I801 | L22-F204 HydrophobicContact CD1-CB 4.27Å; L22-F204 HydrophobicContact CD1-CD1 3.84Å; D25-F204 HydrophobicContact CB-CE1 4.29Å; V26-F204 HydrophobicContact CG2-CB 3.65Å; V26-F204 HydrophobicContact CG2-CD1 3.78Å; V26-F204 HydrophobicContact CG2-CD2 3.56Å; V26-F204 HydrophobicContact CG2-CE1 4.26Å; V26-F204 HydrophobicContact CG2-CE2 4.05Å; V26-F204 HydrophobicContact CG2-CG 3.39Å; V26-F204 HydrophobicContact CG2-CZ 4.38Å; A29-F204 HydrophobicContact CB-CE2 3.9Å; A29-F204 HydrophobicContact CB-CZ 3.86Å; V37-F204 HydrophobicContact CG1-CD2 3.83Å; V37-F204 HydrophobicContact CG1-CE2 3.86Å; F38-F204 PolarHBondContact O-N 3.39Å; C40-F204 PolarHBondContact N-O 2.86Å; M202-F204 HydrophobicContact CB-CD2 4.38Å; M202-F204 HydrophobicContact CB-CE2 3.65Å; M202-F204 HydrophobicContact CB-CZ 4.29Å; F204-I801 HydrophobicContact CE1-CD1 4.24Å |
| 205 | V | 90.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.5 | -175.4 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | F38 C40 | F38-V205 HydrophobicContact CE1-CG2 4.37Å; C40-V205 HydrophobicContact CB-CB 4.48Å; C40-V205 HydrophobicContact CB-CG1 4.19Å; C40-V205 HydrophobicContact CB-CG2 4.18Å; C40-V205 WeakPolarHBondContact O-CA 3.34Å |
| 206 | T | 88.6 | Confident | 92.3 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | trans | -89.2 | 138.3 | 170.9 | -48.3 | 0 | 0 | 0 | 0 | 109.9 | L22 C40 M41 P42 | L22-T206 WeakPolarHBondContact CD2-OG1 3.48Å; C40-T206 PolarHBondContact O-N 3.18Å; M41-T206 WeakPolarHBondContact CG-OG1 3.42Å; P42-T206 HydrophobicContact CG-CG2 4.38Å | ||
| 207 | P | 87.2 | Confident | 92.4 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | trans | -56.1 | 149.9 | 171.5 | -25.5 | 34.9 | 0 | 0 | 0 | 113.4 | F209 D411 | P207-F209 VanDerWaalsContact C-N 3.3Å; P207-F209 PolarHBondContact O-N 2.85Å; P207-D411 VanDerWaalsContact CA-OD2 3.29Å; P207-D411 WeakPolarHBondContact CA-OD2 3.29Å | ||
| 208 | V | 87.7 | Confident | 92.5 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -80.5 | -7.4 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 114 | T183 Y332 I405 F409 D411 | T183-V208 HydrophobicContact CG2-CG1 4.46Å; V208-Y332 HydrophobicContact CB-CE2 3.99Å; V208-Y332 WeakPolarHBondContact O-CE2 3.45Å; V208-Y332 PolarHBondContact O-OH 3.23Å; V208-I405 HydrophobicContact CB-CG2 4.43Å; V208-I405 HydrophobicContact CG2-CG2 3.83Å; V208-F409 HydrophobicContact CB-CD2 4.19Å; V208-F409 HydrophobicContact CG1-CB 3.9Å; V208-F409 HydrophobicContact CG1-CD1 4.46Å; V208-F409 HydrophobicContact CG1-CD2 3.69Å; V208-F409 HydrophobicContact CG1-CE2 4.33Å; V208-F409 HydrophobicContact CG1-CG 3.76Å; V208-F409 HydrophobicContact CG2-CB 4.43Å; V208-F409 HydrophobicContact CG2-CD2 4.04Å; V208-D411 WeakPolarHBondContact CG2-OD2 3.36Å; V208-D411 PolarHBondContact N-OD2 3.44Å |
| 209 | F | 90.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 24% | 0.241 | 18% | 0.181 | C | C | . | . | trans | -74.1 | 133.9 | 177.8 | 178.5 | -117.1 | 0 | 0 | 0 | 111.3 | P207 H402 P414 K415 | P207-F209 VanDerWaalsContact C-N 3.3Å; P207-F209 PolarHBondContact O-N 2.85Å; F209-H402 HydrophobicContact CD2-CB 4.03Å; F209-H402 AromaticContact CD2-CD2 3.63Å; F209-H402 AromaticContact CD2-CG 3.75Å; F209-H402 HydrophobicContact CE2-CB 4.23Å; F209-H402 AromaticContact CE2-CD2 3.91Å; F209-H402 AromaticContact CE2-CE1 3.94Å; F209-H402 AromaticContact CE2-CG 3.76Å; F209-H402 AromaticContact CE2-ND1 3.8Å; F209-P414 HydrophobicContact CB-CB 3.66Å; F209-P414 HydrophobicContact CB-CG 4.09Å; F209-P414 HydrophobicContact CD1-CB 3.77Å; F209-P414 HydrophobicContact CD2-CB 3.61Å; F209-P414 HydrophobicContact CD2-CG 3.76Å; F209-P414 HydrophobicContact CE1-CB 4.31Å; F209-P414 HydrophobicContact CE2-CB 4.18Å; F209-P414 HydrophobicContact CE2-CG 4.41Å; F209-P414 HydrophobicContact CG-CB 3.38Å; F209-P414 HydrophobicContact CG-CG 3.96Å; F209-P414 HydrophobicContact CZ-CB 4.49Å; F209-K415 WeakPolarHBondContact CZ-O 3.41Å | ||
| 210 | R | 90.3 | Very high | 93 | Very high | 37 Ų | 37 | 28.9 Ų | 28.9 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | trans | -136.1 | 103.9 | 174.6 | -73.4 | 176.3 | 59.1 | -166.5 | -4 | 108.6 | N212 L213 G336 A338 G339 | R210-N212 PolarHBondContact O-N 3.37Å; R210-N212 VanDerWaalsContact O-N 3.1Å; R210-L213 HydrophobicContact CB-CD1 4.13Å; R210-L213 HydrophobicContact CB-CG 4.04Å; R210-L213 PolarHBondContact O-N 3.25Å; R210-G336 PolarHBondContact NH1-O 3.46Å; R210-A338 PolarHBondContact NH2-O 2.94Å; R210-G339 VanDerWaalsContact NH2-C 3.34Å; R210-G339 PolarHBondContact NH2-O 2.97Å | ||
| 211 | S | 90.6 | Very high | 93.2 | Very high | 92 Ų | 92 | 28.3 Ų | 28.3 | 64% | 0.643 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.5 | -177.5 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | L213 | S211-L213 VanDerWaalsContact C-N 3.29Å; S211-L213 PolarHBondContact O-N 3.21Å |
| 212 | N | 92.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 15% | 0.15 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.9 | 179.6 | 82.3 | -63.6 | 0 | 0 | 0 | 115.1 | R210 G339 G342 L343 P344 S345 | R210-N212 PolarHBondContact O-N 3.37Å; R210-N212 VanDerWaalsContact O-N 3.1Å; N212-G339 PolarHBondContact ND2-O 3.3Å; N212-G342 WeakPolarHBondContact CB-O 3.43Å; N212-G342 PolarHBondContact ND2-O 3.22Å; N212-L343 PolarHBondContact ND2-O 3.04Å; N212-P344 WeakPolarHBondContact O-CA 3.24Å; N212-S345 PolarHBondContact O-N 2.89Å |
| 213 | L | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.5 | 179 | -61 | -171.8 | 0 | 0 | 0 | 111 | R210 S211 Y215 A338 H402 | R210-L213 HydrophobicContact CB-CD1 4.13Å; R210-L213 HydrophobicContact CB-CG 4.04Å; R210-L213 PolarHBondContact O-N 3.25Å; S211-L213 VanDerWaalsContact C-N 3.29Å; S211-L213 PolarHBondContact O-N 3.21Å; L213-Y215 HydrophobicContact CB-CD2 4.28Å; L213-Y215 HydrophobicContact CB-CE2 3.74Å; L213-Y215 HydrophobicContact CD1-CE2 4.19Å; L213-A338 HydrophobicContact CD2-CB 3.74Å; L213-H402 PolarHBondContact O-CE1 3.49Å; L213-H402 PolarHBondContact O-NE2 3.45Å |
| 214 | H | 96.7 | Very high | 93.2 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 21% | 0.213 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.1 | 173.5 | 179.8 | -70.1 | 0 | 0 | 0 | 111 | S345 L346 C347 A419 | H214-S345 PolarHBondContact N-O 3.5Å; H214-L346 HydrophobicContact CB-CD2 3.77Å; H214-C347 PolarHBondContact O-N 2.84Å; H214-A419 WeakPolarHBondContact CA-O 3.37Å |
| 215 | Y | 97.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.1 | 179.4 | -76.7 | -93.2 | 0 | 0 | 0 | 113.5 | L213 F331 S335 C347 F394 H402 I405 A419 C420 D421 | L213-Y215 HydrophobicContact CB-CD2 4.28Å; L213-Y215 HydrophobicContact CB-CE2 3.74Å; L213-Y215 HydrophobicContact CD1-CE2 4.19Å; Y215-F331 AromaticContact CD1-CE1 3.92Å; Y215-F331 HydrophobicContact CD1-CE1 3.92Å; Y215-F331 AromaticContact CD1-CZ 4Å; Y215-F331 HydrophobicContact CD1-CZ 4Å; Y215-F331 AromaticContact CE1-CE1 3.72Å; Y215-F331 HydrophobicContact CE1-CE1 3.72Å; Y215-F331 AromaticContact CE1-CZ 3.94Å; Y215-F331 HydrophobicContact CE1-CZ 3.94Å; Y215-S335 WeakPolarHBondContact CE1-OG 3.15Å; Y215-S335 PolarHBondContact OH-OG 3Å; Y215-C347 WeakPolarHBondContact CA-O 3.24Å; Y215-C347 HydrophobicContact CD1-CB 3.54Å; Y215-C347 HydrophobicContact CD2-CB 4.36Å; Y215-C347 HydrophobicContact CE1-CB 3.53Å; Y215-C347 HydrophobicContact CE2-CB 4.37Å; Y215-C347 HydrophobicContact CG-CB 3.99Å; Y215-F394 HydrophobicContact CD1-CZ 4.36Å; Y215-H402 AromaticContact CD2-CD2 3.97Å; Y215-H402 AromaticContact CD2-CE1 3.75Å; Y215-H402 AromaticContact CD2-NE2 3.31Å; Y215-H402 VanDerWaalsContact CD2-NE2 3.31Å; Y215-H402 WeakPolarHBondContact CD2-NE2 3.28Å; Y215-H402 AromaticContact CE2-NE2 3.51Å; Y215-I405 HydrophobicContact CD1-CD1 4.34Å; Y215-I405 HydrophobicContact CE1-CD1 4.11Å; Y215-I405 HydrophobicContact CE2-CD1 4.4Å; Y215-A419 PolarHBondContact N-O 2.91Å; Y215-C420 CarbonylContact O-C 3.53Å; Y215-C420 WeakPolarHBondContact O-CA 3.3Å; Y215-C420 VanDerWaalsContact O-CB 3.28Å; Y215-C420 WeakPolarHBondContact O-CB 3.11Å; Y215-D421 PolarHBondContact O-N 2.77Å |
| 216 | D | 97.1 | Very high | 93.5 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 151.8 | 169.2 | 72.1 | -22.5 | 0 | 0 | 0 | 114.9 | C347 R348 T349 D421 | D216-C347 PolarHBondContact N-O 2.99Å; D216-R348 WeakPolarHBondContact O-CA 3.45Å; D216-R348 VanDerWaalsContact OD1-CA 3.27Å; D216-R348 WeakPolarHBondContact OD1-CA 3.49Å; D216-R348 WeakPolarHBondContact OD1-CB 3.4Å; D216-R348 VanDerWaalsContact OD1-CG 3.25Å; D216-R348 WeakPolarHBondContact OD1-CG 3.23Å; D216-R348 IonicContact OD1-NE 2.71Å; D216-R348 PolarHBondContact OD1-NE 3.13Å; D216-R348 VanDerWaalsContact OD1-NE 3.1Å; D216-R348 IonicContact OD2-CZ 2.76Å; D216-R348 IonicContact OD2-NE 2.75Å; D216-R348 PolarHBondContact OD2-NE 3.1Å; D216-R348 IonicContact OD2-NH2 3.21Å; D216-R348 PolarHBondContact OD2-NH2 3.47Å; D216-T349 PolarHBondContact O-N 3.14Å; D216-D421 HydrophobicContact CB-CB 3.71Å |
| 217 | V | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128 | 177.9 | 176 | 0 | 0 | 0 | 0 | 109.1 | F219 T349 F394 C395 D421 Q432 | V217-F219 HydrophobicContact CG1-CD2 4.38Å; V217-F219 HydrophobicContact CG1-CE2 3.98Å; V217-T349 HydrophobicContact CG1-CG2 4.27Å; V217-T349 HydrophobicContact CG2-CG2 4.26Å; V217-F394 HydrophobicContact CG2-CD1 4.3Å; V217-F394 HydrophobicContact CG2-CE1 3.78Å; V217-F394 HydrophobicContact CG2-CZ 4.47Å; V217-C395 HydrophobicContact CG1-CB 4.06Å; V217-D421 PolarHBondContact N-OD2 2.72Å; V217-Q432 PolarHBondContact O-OE1 3.08Å |
| 218 | I | 97.2 | Very high | 94.4 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.7 | 179 | -58.6 | -65.3 | 0 | 0 | 0 | 110 | R220 L223 R348 T349 Y350 Y351 | I218-R220 PolarHBondContact O-N 3.34Å; I218-R220 VanDerWaalsContact O-N 3.1Å; I218-L223 HydrophobicContact CG2-CD1 3.84Å; I218-L223 HydrophobicContact CG2-CD2 4.2Å; I218-L223 HydrophobicContact CG2-CG 4.26Å; I218-R348 HydrophobicContact CG1-CG 4.13Å; I218-T349 PolarHBondContact N-O 3.35Å; I218-Y350 HydrophobicContact CB-CD1 4.45Å; I218-Y350 HydrophobicContact CG2-CD1 4.32Å; I218-Y350 HydrophobicContact CG2-CE1 4.27Å; I218-Y350 CarbonylContact O-C 3.36Å; I218-Y350 WeakPolarHBondContact O-CA 3.24Å; I218-Y351 PolarHBondContact O-N 3.15Å |
| 219 | F | 96.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 101.1 | 174.9 | -72 | -108.3 | 0 | 0 | 0 | 109.6 | V217 D221 L222 Y351 Q432 L433 A436 | V217-F219 HydrophobicContact CG1-CD2 4.38Å; V217-F219 HydrophobicContact CG1-CE2 3.98Å; F219-D221 PolarHBondContact O-N 3.33Å; F219-L222 HydrophobicContact CB-CB 4.47Å; F219-L222 HydrophobicContact CB-CD1 3.72Å; F219-L222 HydrophobicContact CB-CG 3.73Å; F219-L222 HydrophobicContact CG-CD1 4.43Å; F219-L222 WeakPolarHBondContact O-CB 3.46Å; F219-L222 PolarHBondContact O-N 3.37Å; F219-Y351 CarbonylContact C-O 3.51Å; F219-Y351 WeakPolarHBondContact CA-O 3.36Å; F219-Y351 AromaticContact CD1-CD1 3.57Å; F219-Y351 HydrophobicContact CD1-CD1 3.57Å; F219-Y351 HydrophobicContact CD1-CE1 4.11Å; F219-Y351 AromaticContact CE1-CD1 3.32Å; F219-Y351 HydrophobicContact CE1-CD1 3.32Å; F219-Y351 AromaticContact CE1-CE1 3.6Å; F219-Y351 HydrophobicContact CE1-CE1 3.6Å; F219-Y351 HydrophobicContact CE1-CG 4.49Å; F219-Y351 HydrophobicContact CG-CD1 4.32Å; F219-Y351 AromaticContact CZ-CD1 3.88Å; F219-Y351 HydrophobicContact CZ-CD1 3.88Å; F219-Y351 HydrophobicContact CZ-CE1 4.31Å; F219-Q432 HydrophobicContact CB-CG 4.3Å; F219-Q432 HydrophobicContact CD2-CG 3.8Å; F219-Q432 HydrophobicContact CG-CG 4.3Å; F219-Q432 VanDerWaalsContact N-NE2 3.16Å; F219-L433 HydrophobicContact CE1-CD2 4.41Å; F219-L433 HydrophobicContact CE2-CD2 3.84Å; F219-L433 HydrophobicContact CZ-CD2 3.47Å; F219-L433 VanDerWaalsContact CZ-CD2 3.47Å; F219-A436 HydrophobicContact CD1-CB 3.27Å; F219-A436 HydrophobicContact CE1-CB 3.54Å; F219-A436 HydrophobicContact CG-CB 4Å; F219-A436 HydrophobicContact CZ-CB 4.45Å |
| 220 | R | 95.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -61.7 | -30.6 | -176.2 | -165.7 | -178.7 | 66.2 | -144.6 | -1.6 | 112.4 | I218 L222 L223 P226 W322 Y350 Y351 S352 D355 | I218-R220 PolarHBondContact O-N 3.34Å; I218-R220 VanDerWaalsContact O-N 3.1Å; R220-L222 PolarHBondContact O-N 3.47Å; R220-L223 PolarHBondContact O-N 3.16Å; R220-P226 HydrophobicContact CG-CB 3.93Å; R220-P226 HydrophobicContact CG-CG 4.03Å; R220-W322 PolarHBondContact NH1-O 2.89Å; R220-Y350 HydrophobicContact CB-CD1 4.35Å; R220-Y350 HydrophobicContact CG-CD1 4.26Å; R220-Y351 WeakPolarHBondContact CB-O 3.43Å; R220-Y351 PolarHBondContact N-O 3.24Å; R220-S352 PolarHBondContact NH2-OG 3.23Å; R220-S352 VanDerWaalsContact NH2-OG 3.17Å; R220-D355 IonicContact CZ-OD1 2.67Å; R220-D355 IonicContact CZ-OD2 3.16Å; R220-D355 IonicContact NH1-OD1 3.81Å; R220-D355 IonicContact NH1-OD2 3.68Å; R220-D355 PolarHBondContact NH1-OD2 2.89Å; R220-D355 IonicContact NH2-OD1 3.39Å; R220-D355 PolarHBondContact NH2-OD1 2.96Å; R220-D355 IonicContact NH2-OD2 2.85Å; R220-D355 PolarHBondContact NH2-OD2 3.44Å |
| 221 | D | 92.3 | Very high | 95.5 | Very high | 74 Ų | 74 | 40.4 Ų | 40.4 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -68.6 | -14.8 | 177.8 | -57.6 | -31.5 | 0 | 0 | 0 | 112.8 | F219 S352 R353 | F219-D221 PolarHBondContact O-N 3.33Å; D221-S352 WeakPolarHBondContact OD1-CB 3.31Å; D221-S352 PolarHBondContact OD1-OG 3.27Å; D221-S352 WeakPolarHBondContact OD2-CA 3.35Å; D221-S352 WeakPolarHBondContact OD2-CB 3.37Å; D221-S352 PolarHBondContact OD2-OG 2.98Å; D221-R353 PolarHBondContact OD2-N 3.15Å |
| 222 | L | 93.6 | Very high | 95.7 | Very high | 43 Ų | 43 | 38.6 Ų | 38.6 | 23% | 0.225 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -92.2 | -7.3 | 175.1 | -53.9 | -175.7 | 0 | 0 | 0 | 113.7 | F219 R220 Q432 R435 A436 L439 | F219-L222 HydrophobicContact CB-CB 4.47Å; F219-L222 HydrophobicContact CB-CD1 3.72Å; F219-L222 HydrophobicContact CB-CG 3.73Å; F219-L222 HydrophobicContact CG-CD1 4.43Å; F219-L222 WeakPolarHBondContact O-CB 3.46Å; F219-L222 PolarHBondContact O-N 3.37Å; R220-L222 PolarHBondContact O-N 3.47Å; L222-Q432 HydrophobicContact CD1-CG 3.51Å; L222-R435 HydrophobicContact CD1-CB 4.2Å; L222-R435 HydrophobicContact CD2-CB 4.27Å; L222-A436 HydrophobicContact CD1-CB 4.44Å; L222-L439 HydrophobicContact CD2-CD1 3.22Å |
| 223 | L | 94.1 | Very high | 95.9 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | trans | -92.4 | 127.4 | -172.6 | -61.6 | 177.4 | 0 | 0 | 0 | 110.9 | I218 R220 N225 P226 H229 Y350 | I218-L223 HydrophobicContact CG2-CD1 3.84Å; I218-L223 HydrophobicContact CG2-CD2 4.2Å; I218-L223 HydrophobicContact CG2-CG 4.26Å; R220-L223 PolarHBondContact O-N 3.16Å; L223-N225 VanDerWaalsContact C-N 3.31Å; L223-N225 PolarHBondContact O-N 2.89Å; L223-P226 HydrophobicContact CB-CG 4.09Å; L223-P226 HydrophobicContact CD1-CB 4.41Å; L223-H229 HydrophobicContact CD1-CB 3.99Å; L223-Y350 HydrophobicContact CD1-CD1 4.29Å; L223-Y350 HydrophobicContact CD1-CE1 3.97Å | ||
| 224 | P | 92.9 | Very high | 95.9 | Very high | 138 Ų | 138 | 37.7 Ų | 37.7 | 90% | 0.896 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -67.2 | -33.3 | 175.6 | 27 | -34 | 0 | 0 | 0 | 112 | ||
| 225 | N | 95.5 | Very high | 95.7 | Very high | 86 Ų | 86 | 40.7 Ų | 40.7 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | trans | -137.8 | 92.8 | 172.5 | -171.8 | -23.8 | 0 | 0 | 0 | 111.1 | L223 Y227 A228 H229 | L223-N225 VanDerWaalsContact C-N 3.31Å; L223-N225 PolarHBondContact O-N 2.89Å; N225-Y227 VanDerWaalsContact C-N 3.3Å; N225-Y227 PolarHBondContact O-N 2.8Å; N225-Y227 PolarHBondContact OD1-N 2.98Å; N225-A228 HydrophobicContact CB-CB 4Å; N225-A228 PolarHBondContact O-N 2.85Å; N225-A228 PolarHBondContact OD1-N 3.37Å; N225-H229 PolarHBondContact O-N 3.26Å | ||
| 226 | P | 96.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 20% | 0.195 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.5 | -36.5 | 178.7 | -29.6 | 37 | 0 | 0 | 0 | 114.9 | R220 L223 H229 L230 W322 | R220-P226 HydrophobicContact CG-CB 3.93Å; R220-P226 HydrophobicContact CG-CG 4.03Å; L223-P226 HydrophobicContact CB-CG 4.09Å; L223-P226 HydrophobicContact CD1-CB 4.41Å; P226-H229 PolarHBondContact O-N 3Å; P226-L230 PolarHBondContact O-N 3.11Å; P226-W322 HydrophobicContact CB-CH2 3.49Å; P226-W322 VanDerWaalsContact CB-CH2 3.49Å; P226-W322 HydrophobicContact CB-CZ2 4.25Å; P226-W322 HydrophobicContact CB-CZ3 4.22Å |
| 227 | Y | 97 | Very high | 95.2 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.6 | -40.6 | -177.3 | -62.1 | -73.4 | 0 | 0 | 0 | 112.1 | N225 H229 L230 H231 V263 Q266 W322 | N225-Y227 VanDerWaalsContact C-N 3.3Å; N225-Y227 PolarHBondContact O-N 2.8Å; N225-Y227 PolarHBondContact OD1-N 2.98Å; Y227-H229 VanDerWaalsContact C-N 3.3Å; Y227-H229 PolarHBondContact O-N 3.3Å; Y227-L230 PolarHBondContact O-N 3.18Å; Y227-H231 WeakPolarHBondContact O-CB 3.47Å; Y227-H231 PolarHBondContact O-N 3.3Å; Y227-V263 HydrophobicContact CE1-CG2 4.06Å; Y227-Q266 HydrophobicContact CD1-CB 3.75Å; Y227-Q266 HydrophobicContact CD1-CG 3.91Å; Y227-Q266 HydrophobicContact CD2-CG 4.38Å; Y227-Q266 HydrophobicContact CE1-CB 4.16Å; Y227-Q266 HydrophobicContact CE1-CG 3.89Å; Y227-Q266 HydrophobicContact CE2-CG 4.37Å; Y227-Q266 HydrophobicContact CG-CB 4.08Å; Y227-Q266 HydrophobicContact CG-CG 4.16Å; Y227-W322 AromaticContact CD1-CH2 3.81Å; Y227-W322 HydrophobicContact CD1-CH2 3.81Å; Y227-W322 AromaticContact CD1-CZ2 3.9Å; Y227-W322 HydrophobicContact CD1-CZ2 3.9Å; Y227-W322 AromaticContact CE1-CH2 3.92Å; Y227-W322 HydrophobicContact CE1-CH2 3.92Å; Y227-W322 AromaticContact CE1-CZ2 3.49Å; Y227-W322 HydrophobicContact CE1-CZ2 3.49Å; Y227-W322 VanDerWaalsContact CE1-CZ2 3.49Å; Y227-W322 HydrophobicContact CG-CH2 4.32Å; Y227-W322 AromaticContact CZ-CZ2 3.9Å |
| 228 | A | 96.5 | Very high | 94.7 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 30% | 0.298 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N225 H231 A232 | N225-A228 HydrophobicContact CB-CB 4Å; N225-A228 PolarHBondContact O-N 2.85Å; N225-A228 PolarHBondContact OD1-N 3.37Å; A228-H231 PolarHBondContact O-N 3.4Å; A228-A232 WeakPolarHBondContact O-CB 3.32Å; A228-A232 PolarHBondContact O-N 3.21Å |
| 229 | H | 97.5 | Very high | 94 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 175.8 | -171.3 | -115.9 | 0 | 0 | 0 | 112.7 | L223 N225 P226 Y227 A232 F233 R348 Y350 | L223-H229 HydrophobicContact CD1-CB 3.99Å; N225-H229 PolarHBondContact O-N 3.26Å; P226-H229 PolarHBondContact O-N 3Å; Y227-H229 VanDerWaalsContact C-N 3.3Å; Y227-H229 PolarHBondContact O-N 3.3Å; H229-A232 PolarHBondContact O-N 2.89Å; H229-F233 WeakPolarHBondContact O-CB 3.39Å; H229-F233 PolarHBondContact O-N 3.35Å; H229-R348 PolarHBondContact CE1-NH1 3.07Å; H229-Y350 AromaticContact ND1-CE1 3.7Å; H229-Y350 AromaticContact ND1-CZ 3.99Å; H229-Y350 PolarHBondContact ND1-OH 3.01Å |
| 230 | L | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 172.6 | 179.1 | 64.8 | 0 | 0 | 0 | 111.9 | P226 Y227 A232 F233 I234 V252 V263 L267 A320 W322 Y350 | P226-L230 PolarHBondContact O-N 3.11Å; Y227-L230 PolarHBondContact O-N 3.18Å; L230-A232 PolarHBondContact O-N 3.12Å; L230-F233 HydrophobicContact CD1-CD1 4.44Å; L230-F233 WeakPolarHBondContact O-CB 3.33Å; L230-F233 PolarHBondContact O-N 2.75Å; L230-I234 HydrophobicContact CD1-CD1 4.13Å; L230-I234 HydrophobicContact CD1-CG1 4.33Å; L230-I234 HydrophobicContact CG-CD1 3.92Å; L230-I234 HydrophobicContact CG-CG1 4.5Å; L230-I234 VanDerWaalsContact O-CG1 3.26Å; L230-I234 WeakPolarHBondContact O-CG1 3.23Å; L230-I234 PolarHBondContact O-N 3.35Å; L230-V252 HydrophobicContact CD2-CG1 4.25Å; L230-V263 HydrophobicContact CD2-CG1 3.89Å; L230-L267 HydrophobicContact CD2-CD1 4.22Å; L230-L267 HydrophobicContact CD2-CD2 4.13Å; L230-L267 HydrophobicContact CD2-CG 4.43Å; L230-L267 HydrophobicContact CG-CD2 4.21Å; L230-A320 HydrophobicContact CD1-CB 4.02Å; L230-W322 HydrophobicContact CB-CZ3 4.03Å; L230-W322 HydrophobicContact CD2-CE3 3.92Å; L230-W322 HydrophobicContact CD2-CZ3 3.93Å; L230-Y350 VanDerWaalsContact CA-OH 3.28Å; L230-Y350 WeakPolarHBondContact CA-OH 3.4Å; L230-Y350 HydrophobicContact CD1-CE2 3.88Å; L230-Y350 PolarHBondContact N-OH 3.36Å |
| 231 | H | 96.3 | Very high | 90.7 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 175.7 | 157.8 | -96.5 | 0 | 0 | 0 | 112.3 | Y227 A228 I234 K235 L267 L270 | Y227-H231 WeakPolarHBondContact O-CB 3.47Å; Y227-H231 PolarHBondContact O-N 3.3Å; A228-H231 PolarHBondContact O-N 3.4Å; H231-I234 PolarHBondContact O-N 3.36Å; H231-K235 PolarHBondContact CE1-NZ 3.24Å; H231-K235 WeakPolarHBondContact NE2-CD 3.49Å; H231-K235 WeakPolarHBondContact NE2-CE 3.5Å; H231-K235 PolarHBondContact NE2-NZ 3.02Å; H231-K235 PolarHBondContact O-N 2.71Å; H231-L267 HydrophobicContact CB-CD2 4.32Å; H231-L270 HydrophobicContact CB-CB 4.25Å; H231-L270 HydrophobicContact CB-CD1 3.7Å; H231-L270 PolarHBondContact CD2-O 3.26Å; H231-L270 PolarHBondContact NE2-O 2.6Å |
| 232 | A | 96.3 | Very high | 88.9 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 45% | 0.446 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A228 H229 L230 K235 K236 | A228-A232 WeakPolarHBondContact O-CB 3.32Å; A228-A232 PolarHBondContact O-N 3.21Å; H229-A232 PolarHBondContact O-N 2.89Å; L230-A232 PolarHBondContact O-N 3.12Å; A232-K235 PolarHBondContact O-N 3.41Å; A232-K236 WeakPolarHBondContact O-CB 3.49Å; A232-K236 PolarHBondContact O-N 3.45Å |
| 233 | F | 96.3 | Very high | 86.8 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 4% | 0.039 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 173.3 | 170.8 | -97.1 | 0 | 0 | 0 | 112.4 | H229 L230 K236 A237 F318 A320 L346 R348 | H229-F233 WeakPolarHBondContact O-CB 3.39Å; H229-F233 PolarHBondContact O-N 3.35Å; L230-F233 HydrophobicContact CD1-CD1 4.44Å; L230-F233 WeakPolarHBondContact O-CB 3.33Å; L230-F233 PolarHBondContact O-N 2.75Å; F233-K236 PolarHBondContact O-N 3.22Å; F233-A237 WeakPolarHBondContact O-CB 3.48Å; F233-A237 PolarHBondContact O-N 3.23Å; F233-F318 HydrophobicContact CE1-CB 3.82Å; F233-F318 AromaticContact CE1-CD2 3.8Å; F233-F318 HydrophobicContact CE1-CD2 3.8Å; F233-F318 AromaticContact CE1-CG 3.93Å; F233-F318 HydrophobicContact CE1-CG 3.93Å; F233-F318 HydrophobicContact CZ-CB 3.98Å; F233-A320 HydrophobicContact CD1-CB 4.43Å; F233-A320 HydrophobicContact CE1-CB 3.91Å; F233-L346 HydrophobicContact CD2-CD1 4.19Å; F233-L346 HydrophobicContact CE2-CB 3.69Å; F233-L346 HydrophobicContact CE2-CD1 3.65Å; F233-L346 HydrophobicContact CE2-CG 4.33Å; F233-L346 HydrophobicContact CZ-CB 3.62Å; F233-L346 HydrophobicContact CZ-CD1 4.25Å; F233-R348 HydrophobicContact CD2-CB 4.49Å; F233-R348 HydrophobicContact CE1-CB 4.24Å; F233-R348 HydrophobicContact CE2-CB 3.77Å; F233-R348 HydrophobicContact CE2-CG 4.48Å; F233-R348 HydrophobicContact CZ-CB 3.63Å |
| 234 | I | 95.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 178.2 | -69.2 | 171.8 | 0 | 0 | 0 | 110.5 | L230 H231 K236 A237 L238 V252 L267 V272 V300 F318 | L230-I234 HydrophobicContact CD1-CD1 4.13Å; L230-I234 HydrophobicContact CD1-CG1 4.33Å; L230-I234 HydrophobicContact CG-CD1 3.92Å; L230-I234 HydrophobicContact CG-CG1 4.5Å; L230-I234 VanDerWaalsContact O-CG1 3.26Å; L230-I234 WeakPolarHBondContact O-CG1 3.23Å; L230-I234 PolarHBondContact O-N 3.35Å; H231-I234 PolarHBondContact O-N 3.36Å; I234-K236 PolarHBondContact O-N 3.1Å; I234-A237 PolarHBondContact O-N 2.98Å; I234-L238 HydrophobicContact CG2-CD1 3.78Å; I234-L238 HydrophobicContact CG2-CG 4.33Å; I234-L238 WeakPolarHBondContact O-CB 3.38Å; I234-L238 WeakPolarHBondContact O-CG 3.35Å; I234-L238 PolarHBondContact O-N 2.9Å; I234-V252 HydrophobicContact CD1-CG2 4.26Å; I234-L267 HydrophobicContact CD1-CD1 3.74Å; I234-L267 HydrophobicContact CD1-CD2 3.68Å; I234-L267 HydrophobicContact CD1-CG 4.37Å; I234-V272 HydrophobicContact CG2-CG1 4.04Å; I234-V272 HydrophobicContact CG2-CG2 4.24Å; I234-V300 HydrophobicContact CD1-CG1 4.36Å; I234-V300 HydrophobicContact CG2-CG2 3.91Å; I234-F318 HydrophobicContact CB-CE1 4.32Å; I234-F318 HydrophobicContact CB-CZ 4.19Å; I234-F318 HydrophobicContact CD1-CE2 4.35Å; I234-F318 HydrophobicContact CD1-CZ 4.13Å; I234-F318 HydrophobicContact CG1-CE1 4.16Å; I234-F318 HydrophobicContact CG1-CE2 3.84Å; I234-F318 HydrophobicContact CG1-CZ 3.58Å; I234-F318 HydrophobicContact CG2-CE1 3.88Å; I234-F318 HydrophobicContact CG2-CZ 3.86Å |
| 235 | K | 92.8 | Very high | 83 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 48% | 0.478 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 176.2 | -84.2 | -173.7 | 168.1 | 162.2 | 0 | 111.7 | H231 A232 A237 L238 A239 | H231-K235 PolarHBondContact CE1-NZ 3.24Å; H231-K235 WeakPolarHBondContact NE2-CD 3.49Å; H231-K235 WeakPolarHBondContact NE2-CE 3.5Å; H231-K235 PolarHBondContact NE2-NZ 3.02Å; H231-K235 PolarHBondContact O-N 2.71Å; A232-K235 PolarHBondContact O-N 3.41Å; K235-A237 PolarHBondContact O-N 3.37Å; K235-L238 PolarHBondContact O-N 3.43Å; K235-A239 WeakPolarHBondContact O-CB 3.42Å; K235-A239 PolarHBondContact O-N 3.48Å |
| 236 | K | 91.8 | Very high | 81.3 | Confident | 137 Ų | 137 | 58.6 Ų | 58.6 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.2 | -49.1 | 175.7 | -175.1 | 179.8 | 178.4 | 177.8 | 0 | 111.8 | A232 F233 I234 L238 A239 M240 | A232-K236 WeakPolarHBondContact O-CB 3.49Å; A232-K236 PolarHBondContact O-N 3.45Å; F233-K236 PolarHBondContact O-N 3.22Å; I234-K236 PolarHBondContact O-N 3.1Å; K236-L238 PolarHBondContact O-N 2.93Å; K236-A239 PolarHBondContact O-N 2.99Å; K236-M240 HydrophobicContact CD-CE 4.44Å; K236-M240 HydrophobicContact CG-CE 4.16Å; K236-M240 WeakPolarHBondContact O-CG 3.34Å; K236-M240 PolarHBondContact O-N 3.33Å |
| 237 | A | 91.3 | Very high | 80.3 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F233 I234 K235 F318 L346 | F233-A237 WeakPolarHBondContact O-CB 3.48Å; F233-A237 PolarHBondContact O-N 3.23Å; I234-A237 PolarHBondContact O-N 2.98Å; K235-A237 PolarHBondContact O-N 3.37Å; A237-F318 HydrophobicContact CB-CB 3.83Å; A237-F318 HydrophobicContact CB-CD1 3.6Å; A237-F318 HydrophobicContact CB-CG 4.03Å; A237-L346 HydrophobicContact CB-CD1 4.06Å; A237-L346 HydrophobicContact CB-CG 4.46Å |
| 238 | L | 88.2 | Confident | 79.8 | Confident | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.1 | -33.2 | 176.7 | -64.1 | 179.1 | 0 | 0 | 0 | 112.2 | I234 K235 K236 G248 L299 F318 | I234-L238 HydrophobicContact CG2-CD1 3.78Å; I234-L238 HydrophobicContact CG2-CG 4.33Å; I234-L238 WeakPolarHBondContact O-CB 3.38Å; I234-L238 WeakPolarHBondContact O-CG 3.35Å; I234-L238 PolarHBondContact O-N 2.9Å; K235-L238 PolarHBondContact O-N 3.43Å; K236-L238 PolarHBondContact O-N 2.93Å; L238-G248 VanDerWaalsContact CD2-O 3.3Å; L238-G248 WeakPolarHBondContact CD2-O 3.44Å; L238-L299 HydrophobicContact CD1-CB 4.38Å; L238-L299 HydrophobicContact CD1-CD1 4.31Å; L238-F318 HydrophobicContact CD1-CE1 4.45Å; L238-F318 HydrophobicContact CD2-CD1 4.37Å; L238-F318 HydrophobicContact CD2-CE1 3.99Å; L238-F318 HydrophobicContact CG-CE1 4.04Å |
| 239 | A | 82.1 | Confident | 79.6 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73 | -24.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | K235 K236 H241 S242 | K235-A239 WeakPolarHBondContact O-CB 3.42Å; K235-A239 PolarHBondContact O-N 3.48Å; K236-A239 PolarHBondContact O-N 2.99Å; A239-H241 PolarHBondContact O-N 3.41Å; A239-S242 PolarHBondContact O-N 3.26Å; A239-S242 VanDerWaalsContact O-N 3.17Å; A239-S242 PolarHBondContact O-OG 3.07Å |
| 240 | M | 63.2 | Low | 79.5 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -19.4 | 176.3 | -77.6 | 177.7 | -178.7 | 0 | 0 | 114.2 | K236 L346 | K236-M240 HydrophobicContact CD-CE 4.44Å; K236-M240 HydrophobicContact CG-CE 4.16Å; K236-M240 WeakPolarHBondContact O-CG 3.34Å; K236-M240 PolarHBondContact O-N 3.33Å; M240-L346 HydrophobicContact CE-CD1 3.96Å; M240-L346 HydrophobicContact CE-CD2 4.12Å; M240-L346 HydrophobicContact CE-CG 4.32Å |
| 241 | H | 58.3 | Low | 79.5 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 15% | 0.148 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 22.6 | -175.1 | -65.6 | 74.2 | 0 | 0 | 0 | 112.4 | A239 G243 S244 R317 P344 | A239-H241 PolarHBondContact O-N 3.41Å; H241-G243 PolarHBondContact O-N 2.98Å; H241-S244 PolarHBondContact O-N 2.97Å; H241-S244 PolarHBondContact O-OG 3.15Å; H241-R317 VanDerWaalsContact CE1-CD 3.41Å; H241-R317 WeakPolarHBondContact CE1-CD 3.28Å; H241-R317 WeakPolarHBondContact ND1-CD 3.42Å; H241-P344 PolarHBondContact CE1-O 3.08Å |
| 242 | S | 55.5 | Low | 79.6 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -6.7 | 178.6 | -71 | 0 | 0 | 0 | 0 | 115.2 | A239 | A239-S242 PolarHBondContact O-N 3.26Å; A239-S242 VanDerWaalsContact O-N 3.17Å; A239-S242 PolarHBondContact O-OG 3.07Å |
| 243 | G | 49.4 | Very low | 79.7 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 89% | 0.887 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -4.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H241 | H241-G243 PolarHBondContact O-N 2.98Š|
| 244 | S | 54 | Low | 79.6 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -94 | 147.1 | 178.2 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | H241 E246 | H241-S244 PolarHBondContact O-N 2.97Å; H241-S244 PolarHBondContact O-OG 3.15Å; S244-E246 PolarHBondContact O-N 3.07Å; S244-E246 PolarHBondContact OG-O 2.94Å |
| 245 | A | 51.8 | Low | 79.6 | Confident | 115 Ų | 115 | 56.4 Ų | 56.4 | 95% | 0.95 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -60.6 | -18.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 246 | E | 60.8 | Low | 79.7 | Confident | 123 Ų | 123 | 53.9 Ų | 53.9 | 58% | 0.575 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -105 | 126.6 | 173.5 | -68.2 | -163.9 | -179.9 | 0 | 0 | 112.3 | S244 G248 N315 | S244-E246 PolarHBondContact O-N 3.07Å; S244-E246 PolarHBondContact OG-O 2.94Å; E246-G248 PolarHBondContact O-N 2.67Å; E246-N315 PolarHBondContact OE2-ND2 3.43Å |
| 247 | Q | 75.3 | Confident | 79.9 | Confident | 142 Ų | 142 | 53.7 Ų | 53.7 | 66% | 0.664 | 32% | 0.32 | S | S | * | . | trans | -71 | 121.3 | 170.9 | -164.3 | 170.1 | 26.8 | 0 | 0 | 110.1 | L299 | Q247-L299 HydrophobicContact CG-CD1 4.36Å; Q247-L299 HydrophobicContact CG-CD2 3.86Å | ||
| 248 | G | 86.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | trans | -65 | 157.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L238 E246 | L238-G248 VanDerWaalsContact CD2-O 3.3Å; L238-G248 WeakPolarHBondContact CD2-O 3.44Å; E246-G248 PolarHBondContact O-N 2.67Å | ||
| 249 | C | 93.3 | Very high | 80.4 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 173.1 | 175.9 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | W293 L299 K313 N315 V316 R317 | C249-W293 HydrophobicContact CB-CZ2 4.43Å; C249-W293 VanDerWaalsContact SG-CZ2 3.59Å; C249-L299 CarbonylContact C-O 3.55Å; C249-L299 VanDerWaalsContact CA-O 3.27Å; C249-L299 WeakPolarHBondContact CA-O 3.23Å; C249-L299 WeakPolarHBondContact CB-O 3.39Å; C249-K313 WeakPolarHBondContact SG-CE 3.4Å; C249-N315 PolarHBondContact N-O 2.79Å; C249-N315 VanDerWaalsContact N-O 3.08Å; C249-N315 PolarHBondContact SG-O 3.12Å; C249-N315 VanDerWaalsContact SG-O 3.33Å; C249-V316 CarbonylContact O-C 3.47Å; C249-V316 WeakPolarHBondContact O-CA 3.25Å; C249-R317 PolarHBondContact O-N 3.48Å |
| 250 | G | 95.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 169.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | W293 L299 V300 I301 F318 | G250-W293 PolarHBondContact O-NE1 3.42Å; G250-L299 PolarHBondContact N-O 2.89Å; G250-V300 WeakPolarHBondContact O-CA 3.37Å; G250-I301 PolarHBondContact O-N 3.39Å; G250-I301 VanDerWaalsContact O-N 3.11Å; G250-F318 VanDerWaalsContact CA-O 3.25Å; G250-F318 WeakPolarHBondContact CA-O 3.33Å |
| 251 | I | 96.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.3 | -176 | -51.7 | 174.5 | 0 | 0 | 0 | 109 | Y253 W293 I301 F307 V316 F318 V319 A320 R337 | I251-Y253 HydrophobicContact CG2-CD1 4.45Å; I251-Y253 HydrophobicContact CG2-CD2 4.06Å; I251-Y253 HydrophobicContact CG2-CE1 4.16Å; I251-Y253 HydrophobicContact CG2-CE2 3.74Å; I251-Y253 HydrophobicContact CG2-CG 4.4Å; I251-W293 HydrophobicContact CD1-CH2 4.25Å; I251-W293 HydrophobicContact CD1-CZ2 4.13Å; I251-W293 HydrophobicContact CG1-CH2 4.38Å; I251-W293 HydrophobicContact CG1-CZ2 3.75Å; I251-I301 CarbonylContact C-O 3.5Å; I251-I301 WeakPolarHBondContact CA-O 3.4Å; I251-I301 HydrophobicContact CB-CG2 4.45Å; I251-I301 HydrophobicContact CG1-CG2 4.09Å; I251-I301 HydrophobicContact CG2-CG2 4.28Å; I251-F307 HydrophobicContact CD1-CD1 4.33Å; I251-F307 HydrophobicContact CD1-CE1 3.94Å; I251-F307 HydrophobicContact CG1-CE1 4.19Å; I251-F307 HydrophobicContact CG2-CD1 4.23Å; I251-V316 HydrophobicContact CD1-CG1 4.44Å; I251-V316 HydrophobicContact CG1-CG1 4.38Å; I251-F318 PolarHBondContact N-O 3.36Å; I251-V319 HydrophobicContact CB-CG2 4.36Å; I251-V319 CarbonylContact O-C 3.54Å; I251-V319 WeakPolarHBondContact O-CA 3.42Å; I251-A320 PolarHBondContact O-N 2.69Å; I251-R337 HydrophobicContact CD1-CB 4.29Å |
| 252 | V | 97.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.9 | 170.1 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | L230 I234 V263 L267 V300 I301 V302 A303 F318 A320 W322 | L230-V252 HydrophobicContact CD2-CG1 4.25Å; I234-V252 HydrophobicContact CD1-CG2 4.26Å; V252-V263 HydrophobicContact CG1-CG1 4.08Å; V252-L267 HydrophobicContact CG2-CD1 4.42Å; V252-V300 HydrophobicContact CG2-CG1 3.85Å; V252-I301 PolarHBondContact N-O 2.78Å; V252-V302 HydrophobicContact CB-CB 4.45Å; V252-V302 HydrophobicContact CB-CG1 4.19Å; V252-V302 HydrophobicContact CB-CG2 4.21Å; V252-V302 HydrophobicContact CG1-CG1 4.32Å; V252-V302 CarbonylContact O-C 3.59Å; V252-V302 VanDerWaalsContact O-CA 3.32Å; V252-V302 WeakPolarHBondContact O-CA 3.26Å; V252-A303 PolarHBondContact O-N 3.04Å; V252-F318 HydrophobicContact CG2-CE2 4Å; V252-A320 CarbonylContact C-O 3.55Å; V252-A320 VanDerWaalsContact CA-O 3.22Å; V252-A320 WeakPolarHBondContact CA-O 3.48Å; V252-A320 HydrophobicContact CG2-CB 4.42Å; V252-W322 HydrophobicContact CG1-CB 4.17Å |
| 253 | Y | 97.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.2 | 179 | -79.2 | -63.6 | 0 | 0 | 0 | 112.2 | I251 A303 F307 V319 A320 H321 W322 E334 R337 | I251-Y253 HydrophobicContact CG2-CD1 4.45Å; I251-Y253 HydrophobicContact CG2-CD2 4.06Å; I251-Y253 HydrophobicContact CG2-CE1 4.16Å; I251-Y253 HydrophobicContact CG2-CE2 3.74Å; I251-Y253 HydrophobicContact CG2-CG 4.4Å; Y253-A303 CarbonylContact C-O 3.56Å; Y253-A303 VanDerWaalsContact CA-O 3.29Å; Y253-A303 WeakPolarHBondContact CA-O 3.2Å; Y253-F307 VanDerWaalsContact CE1-O 3.26Å; Y253-F307 WeakPolarHBondContact CE1-O 3.28Å; Y253-F307 PolarHBondContact OH-O 3.25Å; Y253-V319 HydrophobicContact CD2-CG1 3.67Å; Y253-V319 HydrophobicContact CE2-CG1 3.84Å; Y253-A320 PolarHBondContact N-O 3.29Å; Y253-H321 AromaticContact CD2-CE1 3.72Å; Y253-H321 AromaticContact CD2-NE2 3.8Å; Y253-W322 WeakPolarHBondContact O-CB 3.17Å; Y253-W322 PolarHBondContact O-N 3.45Å; Y253-E334 HydrophobicContact CD2-CB 4.05Å; Y253-E334 HydrophobicContact CE2-CB 3.72Å; Y253-E334 HydrophobicContact CE2-CG 4.17Å; Y253-R337 WeakPolarHBondContact OH-CD 3.4Å; Y253-R337 PolarHBondContact OH-NE 3.46Å; Y253-R337 VanDerWaalsContact OH-NE 3.13Å |
| 254 | C | 95.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | trans | -126.5 | 152.5 | 173.3 | -49.7 | 0 | 0 | 0 | 0 | 110.7 | A303 T304 N323 | C254-A303 PolarHBondContact N-O 3.34Å; C254-T304 WeakPolarHBondContact O-CA 3.31Å; C254-N323 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 255 | R | 93.8 | Very high | 91 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -76.9 | -39.9 | -178.2 | 179.4 | 177.7 | 55.5 | 113.1 | 4.1 | 113 | N323 L362 | R255-N323 HydrophobicContact CB-CB 3.79Å; R255-N323 PolarHBondContact N-OD1 3.16Å; R255-L362 VanDerWaalsContact NH1-CD1 3.32Å |
| 256 | T | 94.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -107.1 | 156.6 | -174.3 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | G259 C260 | T256-G259 PolarHBondContact O-N 3.3Å; T256-G259 WeakPolarHBondContact OG1-CA 3.37Å; T256-G259 PolarHBondContact OG1-N 2.92Å; T256-G259 VanDerWaalsContact OG1-N 3.12Å; T256-C260 PolarHBondContact O-N 3.17Å; T256-C260 PolarHBondContact O-SG 2.81Å |
| 257 | R | 95.5 | Very high | 94.9 | Very high | 133 Ų | 133 | 44 Ų | 44 | 50% | 0.502 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -53.6 | 177.3 | -66 | -176.6 | -174.4 | 169.5 | 1.9 | 110.9 | G259 C260 E261 H278 | R257-G259 PolarHBondContact O-N 3.46Å; R257-C260 WeakPolarHBondContact O-CA 3.47Å; R257-C260 VanDerWaalsContact O-CB 3.31Å; R257-C260 WeakPolarHBondContact O-CB 3.38Å; R257-C260 PolarHBondContact O-N 3.21Å; R257-E261 PolarHBondContact O-N 2.81Å; R257-H278 WeakPolarHBondContact CA-CD2 3.23Å; R257-H278 VanDerWaalsContact CB-CD2 3.43Å; R257-H278 WeakPolarHBondContact CB-CD2 3.29Å; R257-H278 HydrophobicContact CG-CB 4.09Å; R257-H278 PolarHBondContact O-CD2 3.41Å |
| 258 | D | 95.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 40.7 Ų | 40.7 | 67% | 0.668 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.6 | -30.7 | 177.9 | -41.6 | -22.8 | 0 | 0 | 0 | 111.9 | T262 | D258-T262 VanDerWaalsContact O-CB 3.28Å; D258-T262 WeakPolarHBondContact O-CB 3.28Å; D258-T262 PolarHBondContact O-N 2.83Å; D258-T262 PolarHBondContact O-OG1 2.85Å |
| 259 | G | 95.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | T256 R257 T262 V263 | T256-G259 PolarHBondContact O-N 3.3Å; T256-G259 WeakPolarHBondContact OG1-CA 3.37Å; T256-G259 PolarHBondContact OG1-N 2.92Å; T256-G259 VanDerWaalsContact OG1-N 3.12Å; R257-G259 PolarHBondContact O-N 3.46Å; G259-T262 PolarHBondContact O-N 3.23Å; G259-V263 WeakPolarHBondContact O-CB 3.14Å; G259-V263 VanDerWaalsContact O-CG2 3.32Å; G259-V263 WeakPolarHBondContact O-CG2 3.18Å; G259-V263 PolarHBondContact O-N 3.01Å |
| 260 | C | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | T256 R257 V263 A264 A276 V302 T304 | T256-C260 PolarHBondContact O-N 3.17Å; T256-C260 PolarHBondContact O-SG 2.81Å; R257-C260 WeakPolarHBondContact O-CA 3.47Å; R257-C260 VanDerWaalsContact O-CB 3.31Å; R257-C260 WeakPolarHBondContact O-CB 3.38Å; R257-C260 PolarHBondContact O-N 3.21Å; C260-V263 PolarHBondContact O-N 2.88Å; C260-A264 VanDerWaalsContact O-CB 3.24Å; C260-A264 WeakPolarHBondContact O-CB 3.15Å; C260-A264 PolarHBondContact O-N 2.87Å; C260-A276 HydrophobicContact CB-CB 4.26Å; C260-V302 HydrophobicContact CB-CG1 4.21Å; C260-V302 WeakPolarHBondContact O-CG1 3.44Å; C260-T304 VanDerWaalsContact SG-CG2 3.55Å; C260-T304 PolarHBondContact SG-N 2.99Å; C260-T304 VanDerWaalsContact SG-N 3.44Å |
| 261 | E | 97.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.6 | -63 | -71.4 | -172.7 | 0 | 0 | 111.1 | R257 Y265 A276 H278 | R257-E261 PolarHBondContact O-N 2.81Å; E261-Y265 VanDerWaalsContact O-CB 3.3Å; E261-Y265 WeakPolarHBondContact O-CB 3.22Å; E261-Y265 PolarHBondContact O-N 2.73Å; E261-A276 HydrophobicContact CG-CB 4.23Å; E261-A276 VanDerWaalsContact OE2-CB 3.24Å; E261-A276 WeakPolarHBondContact OE2-CB 3.35Å; E261-H278 IonicContact OE1-CE1 3.6Å; E261-H278 IonicContact OE1-NE2 2.9Å; E261-H278 PolarHBondContact OE1-NE2 3.17Å |
| 262 | T | 97.7 | Very high | 95.9 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 177.9 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | D258 G259 Y265 Q266 | D258-T262 VanDerWaalsContact O-CB 3.28Å; D258-T262 WeakPolarHBondContact O-CB 3.28Å; D258-T262 PolarHBondContact O-N 2.83Å; D258-T262 PolarHBondContact O-OG1 2.85Å; G259-T262 PolarHBondContact O-N 3.23Å; T262-Y265 PolarHBondContact O-N 3.18Å; T262-Q266 WeakPolarHBondContact O-CG 3.34Å; T262-Q266 PolarHBondContact O-N 2.97Å |
| 263 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | -179.8 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | Y227 L230 V252 G259 C260 Y265 Q266 L267 V302 W322 | Y227-V263 HydrophobicContact CE1-CG2 4.06Å; L230-V263 HydrophobicContact CD2-CG1 3.89Å; V252-V263 HydrophobicContact CG1-CG1 4.08Å; G259-V263 WeakPolarHBondContact O-CB 3.14Å; G259-V263 VanDerWaalsContact O-CG2 3.32Å; G259-V263 WeakPolarHBondContact O-CG2 3.18Å; G259-V263 PolarHBondContact O-N 3.01Å; C260-V263 PolarHBondContact O-N 2.88Å; V263-Y265 PolarHBondContact O-N 3.43Å; V263-Q266 PolarHBondContact O-N 3.33Å; V263-L267 HydrophobicContact CG1-CD1 3.99Å; V263-L267 HydrophobicContact CG1-CG 4.39Å; V263-L267 WeakPolarHBondContact O-CB 3.41Å; V263-L267 VanDerWaalsContact O-CG 3.31Å; V263-L267 WeakPolarHBondContact O-CG 3.45Å; V263-L267 PolarHBondContact O-N 2.93Å; V263-V302 HydrophobicContact CB-CG1 3.79Å; V263-V302 HydrophobicContact CG1-CG1 3.68Å; V263-V302 HydrophobicContact CG1-CG2 4.24Å; V263-W322 HydrophobicContact CG2-CD2 4.1Å; V263-W322 HydrophobicContact CG2-CG 4Å; V263-W322 HydrophobicContact CG2-CZ2 4.4Å |
| 264 | A | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C260 Q266 L267 N268 A276 V302 | C260-A264 VanDerWaalsContact O-CB 3.24Å; C260-A264 WeakPolarHBondContact O-CB 3.15Å; C260-A264 PolarHBondContact O-N 2.87Å; A264-Q266 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.13Å; A264-N268 PolarHBondContact O-N 3.15Å; A264-N268 PolarHBondContact O-ND2 3.13Å; A264-A276 HydrophobicContact CB-CB 4.19Å; A264-V302 HydrophobicContact CB-CB 4.15Å; A264-V302 HydrophobicContact CB-CG2 3.97Å |
| 265 | Y | 97.4 | Very high | 95.6 | Very high | 148 Ų | 148 | 61.3 Ų | 61.3 | 58% | 0.58 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.4 | -46.8 | 176.5 | 174.9 | -101.2 | 0 | 0 | 0 | 112.6 | E261 T262 V263 L267 N268 K269 | E261-Y265 VanDerWaalsContact O-CB 3.3Å; E261-Y265 WeakPolarHBondContact O-CB 3.22Å; E261-Y265 PolarHBondContact O-N 2.73Å; T262-Y265 PolarHBondContact O-N 3.18Å; V263-Y265 PolarHBondContact O-N 3.43Å; Y265-L267 PolarHBondContact O-N 3.12Å; Y265-N268 PolarHBondContact O-N 2.83Å; Y265-K269 PolarHBondContact O-N 3.42Å |
| 266 | Q | 97.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -38 | 178.6 | -64.2 | -62.2 | -14.5 | 0 | 0 | 112.3 | Y227 T262 V263 A264 K269 L270 | Y227-Q266 HydrophobicContact CD1-CB 3.75Å; Y227-Q266 HydrophobicContact CD1-CG 3.91Å; Y227-Q266 HydrophobicContact CD2-CG 4.38Å; Y227-Q266 HydrophobicContact CE1-CB 4.16Å; Y227-Q266 HydrophobicContact CE1-CG 3.89Å; Y227-Q266 HydrophobicContact CE2-CG 4.37Å; Y227-Q266 HydrophobicContact CG-CB 4.08Å; Y227-Q266 HydrophobicContact CG-CG 4.16Å; T262-Q266 WeakPolarHBondContact O-CG 3.34Å; T262-Q266 PolarHBondContact O-N 2.97Å; V263-Q266 PolarHBondContact O-N 3.33Å; A264-Q266 PolarHBondContact O-N 2.93Å; Q266-K269 PolarHBondContact O-N 3.07Å; Q266-L270 WeakPolarHBondContact O-CG 3.41Å; Q266-L270 PolarHBondContact O-N 3.25Å; Q266-L270 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.1 | -72.3 | 176.7 | 0 | 0 | 0 | 112.4 | L230 H231 I234 V252 V263 A264 Y265 K269 L270 G271 V272 A274 V300 V302 | L230-L267 HydrophobicContact CD2-CD1 4.22Å; L230-L267 HydrophobicContact CD2-CD2 4.13Å; L230-L267 HydrophobicContact CD2-CG 4.43Å; L230-L267 HydrophobicContact CG-CD2 4.21Å; H231-L267 HydrophobicContact CB-CD2 4.32Å; I234-L267 HydrophobicContact CD1-CD1 3.74Å; I234-L267 HydrophobicContact CD1-CD2 3.68Å; I234-L267 HydrophobicContact CD1-CG 4.37Å; V252-L267 HydrophobicContact CG2-CD1 4.42Å; V263-L267 HydrophobicContact CG1-CD1 3.99Å; V263-L267 HydrophobicContact CG1-CG 4.39Å; V263-L267 WeakPolarHBondContact O-CB 3.41Å; V263-L267 VanDerWaalsContact O-CG 3.31Å; V263-L267 WeakPolarHBondContact O-CG 3.45Å; V263-L267 PolarHBondContact O-N 2.93Å; A264-L267 PolarHBondContact O-N 3.13Å; Y265-L267 PolarHBondContact O-N 3.12Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 3.49Å; L267-L270 CarbonylContact O-C 3.56Å; L267-L270 PolarHBondContact O-N 3.02Å; L267-L270 VanDerWaalsContact O-N 3.13Å; L267-G271 PolarHBondContact O-N 3.35Å; L267-V272 CarbonylContact C-O 3.51Å; L267-V272 HydrophobicContact CB-CB 4.35Å; L267-V272 HydrophobicContact CB-CG1 4.45Å; L267-V272 PolarHBondContact O-N 3.43Å; L267-A274 HydrophobicContact CB-CB 3.88Å; L267-A274 HydrophobicContact CD1-CB 4.26Å; L267-V300 HydrophobicContact CD1-CG1 4.29Å; L267-V302 HydrophobicContact CD1-CG2 4.02Å |
| 268 | N | 95.9 | Very high | 95.7 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 173.7 | -73.5 | -67.6 | 0 | 0 | 0 | 111.6 | A264 Y265 L270 G271 V272 A274 | A264-N268 PolarHBondContact O-N 3.15Å; A264-N268 PolarHBondContact O-ND2 3.13Å; Y265-N268 PolarHBondContact O-N 2.83Å; N268-L270 PolarHBondContact O-N 2.96Å; N268-G271 PolarHBondContact O-N 3.29Å; N268-V272 VanDerWaalsContact CA-O 3.3Å; N268-V272 WeakPolarHBondContact CA-O 3.16Å; N268-V272 PolarHBondContact N-O 3.35Å; N268-V272 PolarHBondContact OD1-O 2.97Å; N268-A274 PolarHBondContact ND2-O 2.86Å; N268-A274 PolarHBondContact OD1-N 3.43Å; N268-A274 VanDerWaalsContact OD1-N 3.09Å; N268-A274 PolarHBondContact OD1-O 3.09Å |
| 269 | K | 96.5 | Very high | 95.4 | Very high | 151 Ų | 151 | 47.2 Ų | 47.2 | 66% | 0.657 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.2 | -29.5 | 175.1 | -172.3 | 179.3 | 177.7 | -175.4 | 0 | 112.7 | Y265 Q266 L267 G271 | Y265-K269 PolarHBondContact O-N 3.42Å; Q266-K269 PolarHBondContact O-N 3.07Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 3.49Å; K269-G271 VanDerWaalsContact C-N 3.32Å |
| 270 | L | 94.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.335 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 6.5 | 175.5 | -64.1 | 170.8 | 0 | 0 | 0 | 113.4 | H231 Q266 L267 N268 | H231-L270 HydrophobicContact CB-CB 4.25Å; H231-L270 HydrophobicContact CB-CD1 3.7Å; H231-L270 PolarHBondContact CD2-O 3.26Å; H231-L270 PolarHBondContact NE2-O 2.6Å; Q266-L270 WeakPolarHBondContact O-CG 3.41Å; Q266-L270 PolarHBondContact O-N 3.25Å; Q266-L270 VanDerWaalsContact O-N 3.1Å; L267-L270 CarbonylContact O-C 3.56Å; L267-L270 PolarHBondContact O-N 3.02Å; L267-L270 VanDerWaalsContact O-N 3.13Å; N268-L270 PolarHBondContact O-N 2.96Å |
| 271 | G | 91.4 | Very high | 94.9 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 65% | 0.649 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 17.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L267 N268 K269 | L267-G271 PolarHBondContact O-N 3.35Å; N268-G271 PolarHBondContact O-N 3.29Å; K269-G271 VanDerWaalsContact C-N 3.32Å |
| 272 | V | 90.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | trans | -104.6 | 118.7 | 173.2 | 167.8 | 0 | 0 | 0 | 0 | 109.7 | I234 L267 N268 A274 V300 | I234-V272 HydrophobicContact CG2-CG1 4.04Å; I234-V272 HydrophobicContact CG2-CG2 4.24Å; L267-V272 CarbonylContact C-O 3.51Å; L267-V272 HydrophobicContact CB-CB 4.35Å; L267-V272 HydrophobicContact CB-CG1 4.45Å; L267-V272 PolarHBondContact O-N 3.43Å; N268-V272 VanDerWaalsContact CA-O 3.3Å; N268-V272 WeakPolarHBondContact CA-O 3.16Å; N268-V272 PolarHBondContact N-O 3.35Å; N268-V272 PolarHBondContact OD1-O 2.97Å; V272-A274 PolarHBondContact O-N 3.29Å; V272-V300 HydrophobicContact CG1-CB 4.17Å; V272-V300 HydrophobicContact CG1-CG2 3.55Å | ||
| 273 | V | 91.8 | Very high | 94.2 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 47% | 0.473 | 30% | 0.297 | S | S | . | . | trans | -64.8 | 103.1 | 177 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | V298 V300 | V273-V298 HydrophobicContact CG1-CG2 4.3Å; V273-V300 PolarHBondContact O-N 3.1Å | ||
| 274 | A | 96.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.033 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | L267 N268 V272 V300 V302 | L267-A274 HydrophobicContact CB-CB 3.88Å; L267-A274 HydrophobicContact CD1-CB 4.26Å; N268-A274 PolarHBondContact ND2-O 2.86Å; N268-A274 PolarHBondContact OD1-N 3.43Å; N268-A274 VanDerWaalsContact OD1-N 3.09Å; N268-A274 PolarHBondContact OD1-O 3.09Å; V272-A274 PolarHBondContact O-N 3.29Å; A274-V300 VanDerWaalsContact CA-O 3.25Å; A274-V300 WeakPolarHBondContact CA-O 3.33Å; A274-V300 HydrophobicContact CB-CB 4.19Å; A274-V300 HydrophobicContact CB-CG1 4.46Å; A274-V302 HydrophobicContact CB-CG2 4.22Å |
| 275 | K | 96.8 | Very high | 93.6 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.4 | 170.4 | -72.9 | -163.2 | 175.1 | -175.1 | 0 | 112.1 | A289 E292 V298 V300 V302 | K275-A289 HydrophobicContact CD-CB 4.38Å; K275-E292 WeakPolarHBondContact CE-OE2 3.32Å; K275-E292 IonicContact NZ-OE1 3.35Å; K275-E292 PolarHBondContact NZ-OE1 3.08Å; K275-E292 IonicContact NZ-OE2 2.68Å; K275-E292 PolarHBondContact NZ-OE2 2.71Å; K275-V298 HydrophobicContact CB-CG1 4.11Å; K275-V298 HydrophobicContact CD-CG2 3.93Å; K275-V298 HydrophobicContact CG-CG1 4.07Å; K275-V298 HydrophobicContact CG-CG2 3.97Å; K275-V300 PolarHBondContact N-O 2.68Å; K275-V300 VanDerWaalsContact N-O 3.1Å; K275-V302 PolarHBondContact O-N 3.26Å |
| 276 | A | 97.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 56 Ų | 56 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 146.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C260 E261 A264 M281 V302 | C260-A276 HydrophobicContact CB-CB 4.26Å; E261-A276 HydrophobicContact CG-CB 4.23Å; E261-A276 VanDerWaalsContact OE2-CB 3.24Å; E261-A276 WeakPolarHBondContact OE2-CB 3.35Å; A264-A276 HydrophobicContact CB-CB 4.19Å; A276-M281 WeakPolarHBondContact O-CE 3.43Å; A276-V302 CarbonylContact C-O 3.52Å; A276-V302 VanDerWaalsContact CA-O 3.23Å; A276-V302 WeakPolarHBondContact CA-O 3.48Å |
| 277 | Y | 95 | Very high | 92.6 | Very high | 24 Ų | 24 | 57 Ų | 57 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 115.9 | 171 | -173.5 | -76.6 | 0 | 0 | 0 | 111.8 | R286 A289 Q290 I301 V302 A303 T304 F307 | Y277-R286 HydrophobicContact CD2-CB 4.36Å; Y277-R286 HydrophobicContact CE2-CB 3.7Å; Y277-R286 HydrophobicContact CE2-CG 4.2Å; Y277-R286 WeakPolarHBondContact CE2-O 3.49Å; Y277-A289 HydrophobicContact CD2-CB 4.46Å; Y277-Q290 HydrophobicContact CE2-CB 4.2Å; Y277-I301 HydrophobicContact CD2-CD1 4.16Å; Y277-I301 HydrophobicContact CG-CD1 4.24Å; Y277-V302 PolarHBondContact N-O 3.37Å; Y277-A303 VanDerWaalsContact O-CA 3.24Å; Y277-A303 WeakPolarHBondContact O-CA 3.15Å; Y277-T304 PolarHBondContact O-N 3.49Å; Y277-F307 HydrophobicContact CD1-CB 3.56Å; Y277-F307 AromaticContact CD1-CD2 3.81Å; Y277-F307 HydrophobicContact CD1-CD2 3.81Å; Y277-F307 HydrophobicContact CD1-CG 4.11Å; Y277-F307 AromaticContact CD2-CD2 3.98Å; Y277-F307 HydrophobicContact CD2-CD2 3.98Å; Y277-F307 HydrophobicContact CE1-CB 3.9Å; Y277-F307 AromaticContact CE1-CD2 3.92Å; Y277-F307 HydrophobicContact CE1-CD2 3.92Å; Y277-F307 HydrophobicContact CE1-CG 4.43Å; Y277-F307 HydrophobicContact CE2-CD2 4.09Å; Y277-F307 HydrophobicContact CG-CB 4.22Å; Y277-F307 AromaticContact CG-CD2 3.83Å; Y277-F307 HydrophobicContact CG-CD2 3.83Å; Y277-F307 HydrophobicContact CG-CG 4.35Å |
| 278 | H | 94.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.06 | 35% | 0.353 | C | S | . | . | trans | -156.7 | 158.4 | 172.6 | 57.9 | 41.3 | 0 | 0 | 0 | 113.8 | R257 E261 G280 M281 R286 T304 | R257-H278 WeakPolarHBondContact CA-CD2 3.23Å; R257-H278 VanDerWaalsContact CB-CD2 3.43Å; R257-H278 WeakPolarHBondContact CB-CD2 3.29Å; R257-H278 HydrophobicContact CG-CB 4.09Å; R257-H278 PolarHBondContact O-CD2 3.41Å; E261-H278 IonicContact OE1-CE1 3.6Å; E261-H278 IonicContact OE1-NE2 2.9Å; E261-H278 PolarHBondContact OE1-NE2 3.17Å; H278-G280 PolarHBondContact ND1-N 3.45Å; H278-G280 PolarHBondContact O-N 2.84Å; H278-M281 PolarHBondContact N-SD 2.9Å; H278-M281 VanDerWaalsContact N-SD 3.45Å; H278-M281 PolarHBondContact ND1-N 3.37Å; H278-M281 WeakPolarHBondContact O-CB 3.28Å; H278-M281 PolarHBondContact O-N 3.43Å; H278-R286 WeakPolarHBondContact O-CD 3.49Å; H278-T304 HydrophobicContact CB-CG2 4.08Å | ||
| 279 | A | 89 | Confident | 92.1 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 45% | 0.446 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -16 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | R286 S306 | A279-R286 PolarHBondContact O-NH1 2.94Å; A279-S306 PolarHBondContact N-OG 3.19Å |
| 280 | G | 90.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -17.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H278 | H278-G280 PolarHBondContact ND1-N 3.45Å; H278-G280 PolarHBondContact O-N 2.84Å |
| 281 | M | 92.4 | Very high | 91.5 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 18% | 0.177 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -72 | 160.2 | 176.3 | -70.5 | 159.1 | 87.1 | 0 | 0 | 110.9 | A276 H278 D285 R286 A289 | A276-M281 WeakPolarHBondContact O-CE 3.43Å; H278-M281 PolarHBondContact N-SD 2.9Å; H278-M281 VanDerWaalsContact N-SD 3.45Å; H278-M281 PolarHBondContact ND1-N 3.37Å; H278-M281 WeakPolarHBondContact O-CB 3.28Å; H278-M281 PolarHBondContact O-N 3.43Å; M281-D285 HydrophobicContact CE-CB 4.21Å; M281-R286 HydrophobicContact CB-CG 3.57Å; M281-R286 HydrophobicContact CG-CG 4.49Å; M281-R286 PolarHBondContact O-NH1 3.33Å; M281-R286 HydrophobicContact SD-CG 4.15Å; M281-A289 HydrophobicContact CE-CB 4.34Å |
| 282 | K | 93.1 | Very high | 91.6 | Very high | 153 Ų | 153 | 50.5 Ų | 50.5 | 67% | 0.665 | 30% | 0.297 | S | S | * | . | trans | -65.1 | 154.6 | 171.8 | -52.2 | 172.3 | -169.8 | 155.8 | 0 | 109.9 | A284 D285 R286 | K282-A284 VanDerWaalsContact C-N 3.33Å; K282-A284 PolarHBondContact O-N 3.09Å; K282-D285 HydrophobicContact CB-CB 4.47Å; K282-D285 VanDerWaalsContact CB-OD2 3.28Å; K282-D285 WeakPolarHBondContact CB-OD2 3.38Å; K282-D285 WeakPolarHBondContact CD-OD2 3.21Å; K282-D285 WeakPolarHBondContact CG-OD2 3.47Å; K282-D285 PolarHBondContact O-N 3.26Å; K282-R286 WeakPolarHBondContact O-CG 3.27Å; K282-R286 PolarHBondContact O-N 2.76Å | ||
| 283 | A | 86.3 | Confident | 91.6 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R286 T287 | A283-R286 PolarHBondContact O-N 3.32Å; A283-T287 PolarHBondContact O-N 3.39Å; A283-T287 VanDerWaalsContact O-N 3.09Å; A283-T287 PolarHBondContact O-OG1 2.83Å |
| 284 | A | 89.3 | Confident | 91.4 | Very high | 73 Ų | 73 | 49.7 Ų | 49.7 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.9 | -48.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | K282 R286 T287 A288 | K282-A284 VanDerWaalsContact C-N 3.33Å; K282-A284 PolarHBondContact O-N 3.09Å; A284-R286 VanDerWaalsContact C-N 3.32Å; A284-R286 PolarHBondContact O-N 3.32Å; A284-T287 PolarHBondContact O-N 2.74Å; A284-A288 WeakPolarHBondContact O-CB 3.25Å; A284-A288 PolarHBondContact O-N 3.38Å |
| 285 | D | 92.4 | Very high | 91 | Very high | 68 Ų | 68 | 55.1 Ų | 55.1 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | -178.8 | -46.1 | -15.5 | 0 | 0 | 0 | 111.8 | M281 K282 A289 | M281-D285 HydrophobicContact CE-CB 4.21Å; K282-D285 HydrophobicContact CB-CB 4.47Å; K282-D285 VanDerWaalsContact CB-OD2 3.28Å; K282-D285 WeakPolarHBondContact CB-OD2 3.38Å; K282-D285 WeakPolarHBondContact CD-OD2 3.21Å; K282-D285 WeakPolarHBondContact CG-OD2 3.47Å; K282-D285 PolarHBondContact O-N 3.26Å; D285-A289 WeakPolarHBondContact O-CB 3.48Å; D285-A289 PolarHBondContact O-N 2.82Å |
| 286 | R | 88.8 | Confident | 90.6 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 173.9 | -67.9 | -169 | -49.4 | -106.8 | 3.8 | 112.1 | Y277 H278 A279 M281 K282 A283 A284 A288 A289 Q290 | Y277-R286 HydrophobicContact CD2-CB 4.36Å; Y277-R286 HydrophobicContact CE2-CB 3.7Å; Y277-R286 HydrophobicContact CE2-CG 4.2Å; Y277-R286 WeakPolarHBondContact CE2-O 3.49Å; H278-R286 WeakPolarHBondContact O-CD 3.49Å; A279-R286 PolarHBondContact O-NH1 2.94Å; M281-R286 HydrophobicContact CB-CG 3.57Å; M281-R286 HydrophobicContact CG-CG 4.49Å; M281-R286 PolarHBondContact O-NH1 3.33Å; M281-R286 HydrophobicContact SD-CG 4.15Å; K282-R286 WeakPolarHBondContact O-CG 3.27Å; K282-R286 PolarHBondContact O-N 2.76Å; A283-R286 PolarHBondContact O-N 3.32Å; A284-R286 VanDerWaalsContact C-N 3.32Å; A284-R286 PolarHBondContact O-N 3.32Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.1Å; R286-A289 PolarHBondContact O-N 3.41Å; R286-Q290 WeakPolarHBondContact O-CB 3.31Å; R286-Q290 PolarHBondContact O-N 3.49Å |
| 287 | T | 85.8 | Confident | 90.3 | Very high | 76 Ų | 76 | 59 Ų | 59 | 47% | 0.466 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 177.9 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | A283 A284 N291 | A283-T287 PolarHBondContact O-N 3.39Å; A283-T287 VanDerWaalsContact O-N 3.09Å; A283-T287 PolarHBondContact O-OG1 2.83Å; A284-T287 PolarHBondContact O-N 2.74Å; T287-N291 VanDerWaalsContact O-CB 3.26Å; T287-N291 WeakPolarHBondContact O-CB 3.32Å; T287-N291 PolarHBondContact O-N 2.71Å; T287-N291 PolarHBondContact O-ND2 2.86Å; T287-N291 PolarHBondContact O-OD1 3.28Å |
| 288 | A | 91.1 | Very high | 90.1 | Very high | 42 Ų | 42 | 58 Ų | 58 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A284 R286 Q290 N291 E292 | A284-A288 WeakPolarHBondContact O-CB 3.25Å; A284-A288 PolarHBondContact O-N 3.38Å; R286-A288 VanDerWaalsContact C-N 3.3Å; R286-A288 PolarHBondContact O-N 3.1Å; A288-Q290 PolarHBondContact O-N 3.06Å; A288-N291 PolarHBondContact O-N 2.88Å; A288-E292 WeakPolarHBondContact O-CB 3.41Å; A288-E292 WeakPolarHBondContact O-CG 3.32Å; A288-E292 PolarHBondContact O-N 2.8Å |
| 289 | A | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.025 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | K275 Y277 M281 D285 R286 W293 | K275-A289 HydrophobicContact CD-CB 4.38Å; Y277-A289 HydrophobicContact CD2-CB 4.46Å; M281-A289 HydrophobicContact CE-CB 4.34Å; D285-A289 WeakPolarHBondContact O-CB 3.48Å; D285-A289 PolarHBondContact O-N 2.82Å; R286-A289 PolarHBondContact O-N 3.41Å; A289-W293 WeakPolarHBondContact O-CB 3.26Å; A289-W293 PolarHBondContact O-N 2.85Å; A289-W293 VanDerWaalsContact O-N 3.16Å |
| 290 | Q | 89.2 | Confident | 90.3 | Very high | 46 Ų | 46 | 56.3 Ų | 56.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 174.1 | 177.2 | 175.9 | -17.9 | 0 | 0 | 111.3 | Y277 R286 A288 E292 W293 M294 F307 | Y277-Q290 HydrophobicContact CE2-CB 4.2Å; R286-Q290 WeakPolarHBondContact O-CB 3.31Å; R286-Q290 PolarHBondContact O-N 3.49Å; A288-Q290 PolarHBondContact O-N 3.06Å; Q290-E292 PolarHBondContact O-N 2.75Å; Q290-W293 PolarHBondContact O-N 2.89Å; Q290-M294 HydrophobicContact CG-CG 4.47Å; Q290-M294 VanDerWaalsContact O-CG 3.3Å; Q290-M294 WeakPolarHBondContact O-CG 3.3Å; Q290-M294 PolarHBondContact O-N 2.95Å; Q290-F307 HydrophobicContact CB-CE2 4.49Å; Q290-F307 HydrophobicContact CG-CE2 4.31Å |
| 291 | N | 88 | Confident | 90.6 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | -178.5 | -71.3 | -4.8 | 0 | 0 | 0 | 112.3 | T287 A288 M294 Q295 | T287-N291 VanDerWaalsContact O-CB 3.26Å; T287-N291 WeakPolarHBondContact O-CB 3.32Å; T287-N291 PolarHBondContact O-N 2.71Å; T287-N291 PolarHBondContact O-ND2 2.86Å; T287-N291 PolarHBondContact O-OD1 3.28Å; A288-N291 PolarHBondContact O-N 2.88Å; N291-M294 PolarHBondContact O-N 2.76Å; N291-Q295 VanDerWaalsContact O-CB 3.29Å; N291-Q295 WeakPolarHBondContact O-CB 3.25Å; N291-Q295 WeakPolarHBondContact O-CG 3.38Å; N291-Q295 PolarHBondContact O-N 3.11Å |
| 292 | E | 92.5 | Very high | 90.9 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 23% | 0.234 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.2 | -73.4 | 175.4 | -133.4 | 0 | 0 | 112.6 | K275 A288 Q290 Q295 G296 K297 V298 | K275-E292 WeakPolarHBondContact CE-OE2 3.32Å; K275-E292 IonicContact NZ-OE1 3.35Å; K275-E292 PolarHBondContact NZ-OE1 3.08Å; K275-E292 IonicContact NZ-OE2 2.68Å; K275-E292 PolarHBondContact NZ-OE2 2.71Å; A288-E292 WeakPolarHBondContact O-CB 3.41Å; A288-E292 WeakPolarHBondContact O-CG 3.32Å; A288-E292 PolarHBondContact O-N 2.8Å; Q290-E292 PolarHBondContact O-N 2.75Å; E292-Q295 PolarHBondContact O-N 3.16Å; E292-G296 PolarHBondContact O-N 3.28Å; E292-K297 HydrophobicContact CB-CB 4.23Å; E292-K297 HydrophobicContact CG-CD 4.39Å; E292-K297 PolarHBondContact O-N 2.9Å; E292-V298 HydrophobicContact CB-CG2 4.04Å; E292-V298 PolarHBondContact O-N 3.44Å |
| 293 | W | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.4 | -41.5 | 174.6 | -179.3 | 85.2 | 0 | 0 | 0 | 112 | C249 G250 I251 A289 Q290 Q295 G296 V298 I301 F307 V311 K313 V316 | C249-W293 HydrophobicContact CB-CZ2 4.43Å; C249-W293 VanDerWaalsContact SG-CZ2 3.59Å; G250-W293 PolarHBondContact O-NE1 3.42Å; I251-W293 HydrophobicContact CD1-CH2 4.25Å; I251-W293 HydrophobicContact CD1-CZ2 4.13Å; I251-W293 HydrophobicContact CG1-CH2 4.38Å; I251-W293 HydrophobicContact CG1-CZ2 3.75Å; A289-W293 WeakPolarHBondContact O-CB 3.26Å; A289-W293 PolarHBondContact O-N 2.85Å; A289-W293 VanDerWaalsContact O-N 3.16Å; Q290-W293 PolarHBondContact O-N 2.89Å; W293-Q295 VanDerWaalsContact C-N 3.29Å; W293-Q295 PolarHBondContact O-N 2.9Å; W293-G296 PolarHBondContact O-N 2.89Å; W293-G296 VanDerWaalsContact O-N 3.09Å; W293-V298 WeakPolarHBondContact CA-O 3.48Å; W293-I301 HydrophobicContact CB-CD1 4.31Å; W293-I301 HydrophobicContact CD2-CG2 4.12Å; W293-I301 HydrophobicContact CG-CB 4.05Å; W293-I301 HydrophobicContact CG-CD1 4.41Å; W293-I301 HydrophobicContact CG-CG2 4.1Å; W293-I301 HydrophobicContact CZ2-CG2 4.35Å; W293-F307 HydrophobicContact CD2-CZ 4.11Å; W293-F307 HydrophobicContact CE3-CE1 4.49Å; W293-F307 AromaticContact CE3-CZ 3.76Å; W293-F307 HydrophobicContact CE3-CZ 3.76Å; W293-F307 HydrophobicContact CH2-CE1 4.29Å; W293-F307 HydrophobicContact CH2-CZ 4.28Å; W293-F307 HydrophobicContact CZ2-CE1 4.45Å; W293-F307 HydrophobicContact CZ3-CE1 4.32Å; W293-F307 AromaticContact CZ3-CZ 3.86Å; W293-F307 HydrophobicContact CZ3-CZ 3.86Å; W293-V311 HydrophobicContact CH2-CG1 3.76Å; W293-V311 HydrophobicContact CZ3-CG1 3.49Å; W293-V311 VanDerWaalsContact CZ3-CG1 3.49Å; W293-K313 HydrophobicContact CD2-CD 4.41Å; W293-K313 HydrophobicContact CE3-CD 3.91Å; W293-K313 HydrophobicContact CH2-CB 3.83Å; W293-K313 HydrophobicContact CH2-CD 3.81Å; W293-K313 HydrophobicContact CH2-CG 4.3Å; W293-K313 HydrophobicContact CZ2-CD 4.3Å; W293-K313 HydrophobicContact CZ3-CB 3.76Å; W293-K313 HydrophobicContact CZ3-CD 3.58Å; W293-K313 HydrophobicContact CZ3-CG 4.27Å; W293-V316 HydrophobicContact CH2-CG2 3.86Å; W293-V316 HydrophobicContact CZ2-CG2 4.02Å |
| 294 | M | 87.3 | Confident | 91.4 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 37% | 0.365 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.1 | -42 | 173.5 | -69.8 | -61.6 | -71.3 | 0 | 0 | 111.6 | Q290 N291 G296 K313 | Q290-M294 HydrophobicContact CG-CG 4.47Å; Q290-M294 VanDerWaalsContact O-CG 3.3Å; Q290-M294 WeakPolarHBondContact O-CG 3.3Å; Q290-M294 PolarHBondContact O-N 2.95Å; N291-M294 PolarHBondContact O-N 2.76Å; M294-G296 VanDerWaalsContact C-N 3.26Å; M294-G296 PolarHBondContact O-N 2.85Å; M294-K313 HydrophobicContact CE-CB 4.38Å; M294-K313 PolarHBondContact O-NZ 2.86Å; M294-K313 HydrophobicContact SD-CB 4.07Å; M294-K313 HydrophobicContact SD-CD 4.13Å |
| 295 | Q | 87.8 | Confident | 91.2 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 55% | 0.547 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -2.6 | 176.6 | -70.7 | 169.3 | 18.5 | 0 | 0 | 114.6 | N291 E292 W293 K297 | N291-Q295 VanDerWaalsContact O-CB 3.29Å; N291-Q295 WeakPolarHBondContact O-CB 3.25Å; N291-Q295 WeakPolarHBondContact O-CG 3.38Å; N291-Q295 PolarHBondContact O-N 3.11Å; E292-Q295 PolarHBondContact O-N 3.16Å; W293-Q295 VanDerWaalsContact C-N 3.29Å; W293-Q295 PolarHBondContact O-N 2.9Å; Q295-K297 HydrophobicContact CB-CD 4.45Å; Q295-K297 HydrophobicContact CB-CG 4.38Å; Q295-K297 PolarHBondContact O-N 3.24Å |
| 296 | G | 87.9 | Confident | 90.7 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 4.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E292 W293 M294 V298 | E292-G296 PolarHBondContact O-N 3.28Å; W293-G296 PolarHBondContact O-N 2.89Å; W293-G296 VanDerWaalsContact O-N 3.09Å; M294-G296 VanDerWaalsContact C-N 3.26Å; M294-G296 PolarHBondContact O-N 2.85Å; G296-V298 PolarHBondContact O-N 2.84Å |
| 297 | K | 90.3 | Very high | 90.4 | Very high | 139 Ų | 139 | 40 Ų | 40 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -68.3 | -27.1 | 175.3 | -68.7 | 172.6 | 176.2 | 162.3 | 0 | 112.6 | E292 Q295 | E292-K297 HydrophobicContact CB-CB 4.23Å; E292-K297 HydrophobicContact CG-CD 4.39Å; E292-K297 PolarHBondContact O-N 2.9Å; Q295-K297 HydrophobicContact CB-CD 4.45Å; Q295-K297 HydrophobicContact CB-CG 4.38Å; Q295-K297 PolarHBondContact O-N 3.24Å |
| 298 | V | 92.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -123.7 | 115.1 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 107.3 | V273 K275 E292 W293 G296 V300 | V273-V298 HydrophobicContact CG1-CG2 4.3Å; K275-V298 HydrophobicContact CB-CG1 4.11Å; K275-V298 HydrophobicContact CD-CG2 3.93Å; K275-V298 HydrophobicContact CG-CG1 4.07Å; K275-V298 HydrophobicContact CG-CG2 3.97Å; E292-V298 HydrophobicContact CB-CG2 4.04Å; E292-V298 PolarHBondContact O-N 3.44Å; W293-V298 WeakPolarHBondContact CA-O 3.48Å; G296-V298 PolarHBondContact O-N 2.84Å; V298-V300 VanDerWaalsContact CG1-O 3.23Å; V298-V300 WeakPolarHBondContact CG1-O 3.32Å |
| 299 | L | 91.8 | Very high | 88 | Confident | 31 Ų | 31 | 39 Ų | 39 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -76.9 | -33 | -175.4 | -55.9 | -179 | 0 | 0 | 0 | 112.3 | L238 Q247 C249 G250 | L238-L299 HydrophobicContact CD1-CB 4.38Å; L238-L299 HydrophobicContact CD1-CD1 4.31Å; Q247-L299 HydrophobicContact CG-CD1 4.36Å; Q247-L299 HydrophobicContact CG-CD2 3.86Å; C249-L299 CarbonylContact C-O 3.55Å; C249-L299 VanDerWaalsContact CA-O 3.27Å; C249-L299 WeakPolarHBondContact CA-O 3.23Å; C249-L299 WeakPolarHBondContact CB-O 3.39Å; G250-L299 PolarHBondContact N-O 2.89Å |
| 300 | V | 96 | Very high | 86.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126 | -175.3 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | I234 G250 V252 L267 V272 V273 A274 K275 V298 V302 F318 | I234-V300 HydrophobicContact CD1-CG1 4.36Å; I234-V300 HydrophobicContact CG2-CG2 3.91Å; G250-V300 WeakPolarHBondContact O-CA 3.37Å; V252-V300 HydrophobicContact CG2-CG1 3.85Å; L267-V300 HydrophobicContact CD1-CG1 4.29Å; V272-V300 HydrophobicContact CG1-CB 4.17Å; V272-V300 HydrophobicContact CG1-CG2 3.55Å; V273-V300 PolarHBondContact O-N 3.1Å; A274-V300 VanDerWaalsContact CA-O 3.25Å; A274-V300 WeakPolarHBondContact CA-O 3.33Å; A274-V300 HydrophobicContact CB-CB 4.19Å; A274-V300 HydrophobicContact CB-CG1 4.46Å; K275-V300 PolarHBondContact N-O 2.68Å; K275-V300 VanDerWaalsContact N-O 3.1Å; V298-V300 VanDerWaalsContact CG1-O 3.23Å; V298-V300 WeakPolarHBondContact CG1-O 3.32Å; V300-V302 HydrophobicContact CG1-CG2 4.38Å; V300-F318 HydrophobicContact CG1-CE2 4.46Å; V300-F318 HydrophobicContact CG1-CZ 4.02Å; V300-F318 HydrophobicContact CG2-CE1 4.37Å; V300-F318 HydrophobicContact CG2-CZ 3.82Å |
| 301 | I | 96.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.7 | 171.3 | -160.5 | 170.6 | 0 | 0 | 0 | 110.3 | G250 I251 V252 Y277 W293 F307 | G250-I301 PolarHBondContact O-N 3.39Å; G250-I301 VanDerWaalsContact O-N 3.11Å; I251-I301 CarbonylContact C-O 3.5Å; I251-I301 WeakPolarHBondContact CA-O 3.4Å; I251-I301 HydrophobicContact CB-CG2 4.45Å; I251-I301 HydrophobicContact CG1-CG2 4.09Å; I251-I301 HydrophobicContact CG2-CG2 4.28Å; V252-I301 PolarHBondContact N-O 2.78Å; Y277-I301 HydrophobicContact CD2-CD1 4.16Å; Y277-I301 HydrophobicContact CG-CD1 4.24Å; W293-I301 HydrophobicContact CB-CD1 4.31Å; W293-I301 HydrophobicContact CD2-CG2 4.12Å; W293-I301 HydrophobicContact CG-CB 4.05Å; W293-I301 HydrophobicContact CG-CD1 4.41Å; W293-I301 HydrophobicContact CG-CG2 4.1Å; W293-I301 HydrophobicContact CZ2-CG2 4.35Å; I301-F307 HydrophobicContact CD1-CD2 3.91Å; I301-F307 HydrophobicContact CD1-CE1 4.25Å; I301-F307 HydrophobicContact CD1-CE2 3.54Å; I301-F307 HydrophobicContact CD1-CG 4.42Å; I301-F307 HydrophobicContact CD1-CZ 3.73Å; I301-F307 HydrophobicContact CG2-CD1 3.9Å; I301-F307 HydrophobicContact CG2-CE1 3.39Å; I301-F307 HydrophobicContact CG2-CZ 3.8Å |
| 302 | V | 97.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 111.1 | -177.1 | -172.7 | 0 | 0 | 0 | 0 | 107.9 | V252 C260 V263 A264 L267 A274 K275 A276 Y277 V300 | V252-V302 HydrophobicContact CB-CB 4.45Å; V252-V302 HydrophobicContact CB-CG1 4.19Å; V252-V302 HydrophobicContact CB-CG2 4.21Å; V252-V302 HydrophobicContact CG1-CG1 4.32Å; V252-V302 CarbonylContact O-C 3.59Å; V252-V302 VanDerWaalsContact O-CA 3.32Å; V252-V302 WeakPolarHBondContact O-CA 3.26Å; C260-V302 HydrophobicContact CB-CG1 4.21Å; C260-V302 WeakPolarHBondContact O-CG1 3.44Å; V263-V302 HydrophobicContact CB-CG1 3.79Å; V263-V302 HydrophobicContact CG1-CG1 3.68Å; V263-V302 HydrophobicContact CG1-CG2 4.24Å; A264-V302 HydrophobicContact CB-CB 4.15Å; A264-V302 HydrophobicContact CB-CG2 3.97Å; L267-V302 HydrophobicContact CD1-CG2 4.02Å; A274-V302 HydrophobicContact CB-CG2 4.22Å; K275-V302 PolarHBondContact O-N 3.26Å; A276-V302 CarbonylContact C-O 3.52Å; A276-V302 VanDerWaalsContact CA-O 3.23Å; A276-V302 WeakPolarHBondContact CA-O 3.48Å; Y277-V302 PolarHBondContact N-O 3.37Å; V300-V302 HydrophobicContact CG1-CG2 4.38Å |
| 303 | A | 96 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.6 | -161.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V252 Y253 C254 Y277 F307 | V252-A303 PolarHBondContact O-N 3.04Å; Y253-A303 CarbonylContact C-O 3.56Å; Y253-A303 VanDerWaalsContact CA-O 3.29Å; Y253-A303 WeakPolarHBondContact CA-O 3.2Å; C254-A303 PolarHBondContact N-O 3.34Å; Y277-A303 VanDerWaalsContact O-CA 3.24Å; Y277-A303 WeakPolarHBondContact O-CA 3.15Å; A303-F307 HydrophobicContact CB-CB 3.35Å; A303-F307 HydrophobicContact CB-CD1 4.21Å; A303-F307 HydrophobicContact CB-CG 3.96Å |
| 304 | T | 93.6 | Very high | 84.2 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | trans | -83.2 | 170.5 | 160.4 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | C254 C260 Y277 H278 S306 F307 | C254-T304 WeakPolarHBondContact O-CA 3.31Å; C260-T304 VanDerWaalsContact SG-CG2 3.55Å; C260-T304 PolarHBondContact SG-N 2.99Å; C260-T304 VanDerWaalsContact SG-N 3.44Å; Y277-T304 PolarHBondContact O-N 3.49Å; H278-T304 HydrophobicContact CB-CG2 4.08Å; T304-S306 PolarHBondContact O-N 3.36Å; T304-S306 PolarHBondContact OG1-OG 3.09Å; T304-F307 PolarHBondContact O-N 3.1Å | ||
| 305 | I | 86.8 | Confident | 84.4 | Confident | 97 Ų | 97 | 37.9 Ų | 37.9 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -22.5 | 173.4 | -48.2 | -179.8 | 0 | 0 | 0 | 113.3 | F307 E334 | I305-F307 PolarHBondContact O-N 2.7Å; I305-F307 VanDerWaalsContact O-N 3.12Å; I305-E334 WeakPolarHBondContact CG1-OE1 3.23Å; I305-E334 WeakPolarHBondContact CG2-OE1 3.4Å |
| 306 | S | 81.9 | Confident | 84.6 | Confident | 39 Ų | 39 | 32.5 Ų | 32.5 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.7 | 171.4 | 66.5 | 0 | 0 | 0 | 0 | 115.5 | A279 T304 | A279-S306 PolarHBondContact N-OG 3.19Å; T304-S306 PolarHBondContact O-N 3.36Å; T304-S306 PolarHBondContact OG1-OG 3.09Å |
| 307 | F | 81.4 | Confident | 85 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -99.5 | 103.4 | 168.4 | -169.2 | -105 | 0 | 0 | 0 | 110.4 | I251 Y253 Y277 Q290 W293 I301 A303 T304 I305 V311 | I251-F307 HydrophobicContact CD1-CD1 4.33Å; I251-F307 HydrophobicContact CD1-CE1 3.94Å; I251-F307 HydrophobicContact CG1-CE1 4.19Å; I251-F307 HydrophobicContact CG2-CD1 4.23Å; Y253-F307 VanDerWaalsContact CE1-O 3.26Å; Y253-F307 WeakPolarHBondContact CE1-O 3.28Å; Y253-F307 PolarHBondContact OH-O 3.25Å; Y277-F307 HydrophobicContact CD1-CB 3.56Å; Y277-F307 AromaticContact CD1-CD2 3.81Å; Y277-F307 HydrophobicContact CD1-CD2 3.81Å; Y277-F307 HydrophobicContact CD1-CG 4.11Å; Y277-F307 AromaticContact CD2-CD2 3.98Å; Y277-F307 HydrophobicContact CD2-CD2 3.98Å; Y277-F307 HydrophobicContact CE1-CB 3.9Å; Y277-F307 AromaticContact CE1-CD2 3.92Å; Y277-F307 HydrophobicContact CE1-CD2 3.92Å; Y277-F307 HydrophobicContact CE1-CG 4.43Å; Y277-F307 HydrophobicContact CE2-CD2 4.09Å; Y277-F307 HydrophobicContact CG-CB 4.22Å; Y277-F307 AromaticContact CG-CD2 3.83Å; Y277-F307 HydrophobicContact CG-CD2 3.83Å; Y277-F307 HydrophobicContact CG-CG 4.35Å; Q290-F307 HydrophobicContact CB-CE2 4.49Å; Q290-F307 HydrophobicContact CG-CE2 4.31Å; W293-F307 HydrophobicContact CD2-CZ 4.11Å; W293-F307 HydrophobicContact CE3-CE1 4.49Å; W293-F307 AromaticContact CE3-CZ 3.76Å; W293-F307 HydrophobicContact CE3-CZ 3.76Å; W293-F307 HydrophobicContact CH2-CE1 4.29Å; W293-F307 HydrophobicContact CH2-CZ 4.28Å; W293-F307 HydrophobicContact CZ2-CE1 4.45Å; W293-F307 HydrophobicContact CZ3-CE1 4.32Å; W293-F307 AromaticContact CZ3-CZ 3.86Å; W293-F307 HydrophobicContact CZ3-CZ 3.86Å; I301-F307 HydrophobicContact CD1-CD2 3.91Å; I301-F307 HydrophobicContact CD1-CE1 4.25Å; I301-F307 HydrophobicContact CD1-CE2 3.54Å; I301-F307 HydrophobicContact CD1-CG 4.42Å; I301-F307 HydrophobicContact CD1-CZ 3.73Å; I301-F307 HydrophobicContact CG2-CD1 3.9Å; I301-F307 HydrophobicContact CG2-CE1 3.39Å; I301-F307 HydrophobicContact CG2-CZ 3.8Å; A303-F307 HydrophobicContact CB-CB 3.35Å; A303-F307 HydrophobicContact CB-CD1 4.21Å; A303-F307 HydrophobicContact CB-CG 3.96Å; T304-F307 PolarHBondContact O-N 3.1Å; I305-F307 PolarHBondContact O-N 2.7Å; I305-F307 VanDerWaalsContact O-N 3.12Å; F307-V311 HydrophobicContact CD1-CG2 4.29Å; F307-V311 HydrophobicContact CD2-CG2 4.02Å; F307-V311 HydrophobicContact CE1-CG1 3.93Å; F307-V311 HydrophobicContact CE1-CG2 3.99Å; F307-V311 HydrophobicContact CE2-CG2 3.7Å; F307-V311 HydrophobicContact CG-CG2 4.3Å; F307-V311 HydrophobicContact CZ-CB 4.42Å; F307-V311 HydrophobicContact CZ-CG1 3.81Å; F307-V311 HydrophobicContact CZ-CG2 3.68Å |
| 308 | G | 63.2 | Low | 85.3 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | trans | 166.7 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G310 V311 R337 | G308-G310 PolarHBondContact O-N 2.85Å; G308-V311 PolarHBondContact O-N 2.82Å; G308-V311 VanDerWaalsContact O-N 3.17Å; G308-R337 VanDerWaalsContact C-NH2 3.34Å; G308-R337 VanDerWaalsContact O-CZ 3.24Å; G308-R337 PolarHBondContact O-NH1 3.49Å; G308-R337 PolarHBondContact O-NH2 3.19Å | ||
| 309 | M | 63.8 | Low | 85.5 | Confident | 93 Ų | 93 | 24.8 Ų | 24.8 | 46% | 0.458 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 116.6 | 171.8 | -59.5 | 176.6 | -54.2 | 0 | 0 | 108.6 | L68 | L68-M309 HydrophobicContact CD1-CB 3.98Å; L68-M309 HydrophobicContact CD1-CG 3.67Å; L68-M309 HydrophobicContact CD1-SD 3.44Å; L68-M309 WeakPolarHBondContact CD1-SD 3.35Å; L68-M309 HydrophobicContact CD2-CE 4.22Å; L68-M309 HydrophobicContact CD2-SD 3.4Å; L68-M309 WeakPolarHBondContact CD2-SD 3.48Å; L68-M309 HydrophobicContact CG-SD 4.02Å |
| 310 | G | 58.9 | Low | 85.8 | Confident | 23 Ų | 23 | 23.3 Ų | 23.3 | 24% | 0.237 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -8.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D74 G308 D312 | D74-G310 WeakPolarHBondContact OD2-CA 3.43Å; G308-G310 PolarHBondContact O-N 2.85Å; G310-D312 PolarHBondContact O-N 2.94Å |
| 311 | V | 69.4 | Low | 85.9 | Confident | 10 Ų | 10 | 23.4 Ų | 23.4 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | trans | -83 | 104.4 | -179.9 | -174 | 0 | 0 | 0 | 0 | 110.3 | W293 F307 G308 R340 | W293-V311 HydrophobicContact CH2-CG1 3.76Å; W293-V311 HydrophobicContact CZ3-CG1 3.49Å; W293-V311 VanDerWaalsContact CZ3-CG1 3.49Å; F307-V311 HydrophobicContact CD1-CG2 4.29Å; F307-V311 HydrophobicContact CD2-CG2 4.02Å; F307-V311 HydrophobicContact CE1-CG1 3.93Å; F307-V311 HydrophobicContact CE1-CG2 3.99Å; F307-V311 HydrophobicContact CE2-CG2 3.7Å; F307-V311 HydrophobicContact CG-CG2 4.3Å; F307-V311 HydrophobicContact CZ-CB 4.42Å; F307-V311 HydrophobicContact CZ-CG1 3.81Å; F307-V311 HydrophobicContact CZ-CG2 3.68Å; G308-V311 PolarHBondContact O-N 2.82Å; G308-V311 VanDerWaalsContact O-N 3.17Å; V311-R340 PolarHBondContact O-NH1 2.93Å | ||
| 312 | D | 75 | Confident | 86 | Confident | 99 Ų | 99 | 24.2 Ų | 24.2 | 53% | 0.529 | 14% | 0.141 | S | C | . | . | trans | -125.3 | 94.9 | 171.5 | -160.7 | 7.5 | 0 | 0 | 0 | 110.6 | G310 R340 | G310-D312 PolarHBondContact O-N 2.94Å; D312-R340 VanDerWaalsContact OD1-CD 3.28Å; D312-R340 WeakPolarHBondContact OD1-CD 3.22Å; D312-R340 IonicContact OD1-CZ 2.82Å; D312-R340 IonicContact OD1-NE 3.15Å; D312-R340 IonicContact OD1-NH1 3.43Å; D312-R340 PolarHBondContact OD1-NH1 3.18Å; D312-R340 IonicContact OD2-NH1 2.82Å | ||
| 313 | K | 85.4 | Confident | 85.8 | Confident | 29 Ų | 29 | 25.1 Ų | 25.1 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | trans | -126.1 | 126.8 | 175.1 | -178.2 | 164.3 | 176.1 | 63 | 0 | 107.2 | C249 W293 M294 N315 V316 | C249-K313 WeakPolarHBondContact SG-CE 3.4Å; W293-K313 HydrophobicContact CD2-CD 4.41Å; W293-K313 HydrophobicContact CE3-CD 3.91Å; W293-K313 HydrophobicContact CH2-CB 3.83Å; W293-K313 HydrophobicContact CH2-CD 3.81Å; W293-K313 HydrophobicContact CH2-CG 4.3Å; W293-K313 HydrophobicContact CZ2-CD 4.3Å; W293-K313 HydrophobicContact CZ3-CB 3.76Å; W293-K313 HydrophobicContact CZ3-CD 3.58Å; W293-K313 HydrophobicContact CZ3-CG 4.27Å; M294-K313 HydrophobicContact CE-CB 4.38Å; M294-K313 PolarHBondContact O-NZ 2.86Å; M294-K313 HydrophobicContact SD-CB 4.07Å; M294-K313 HydrophobicContact SD-CD 4.13Å; K313-N315 WeakPolarHBondContact CE-OD1 3.27Å; K313-N315 WeakPolarHBondContact CG-OD1 3.5Å; K313-N315 PolarHBondContact NZ-OD1 2.76Å; K313-V316 HydrophobicContact CB-CG2 4.24Å; K313-V316 HydrophobicContact CG-CG2 4.48Å; K313-V316 WeakPolarHBondContact O-CG2 3.32Å | ||
| 314 | A | 86.1 | Confident | 85.8 | Confident | 50 Ų | 50 | 25.4 Ų | 25.4 | 41% | 0.413 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -68.6 | -45.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V316 R340 D341 | A314-V316 VanDerWaalsContact C-N 3.29Å; A314-V316 PolarHBondContact O-N 2.77Å; A314-V316 VanDerWaalsContact O-N 3.07Å; A314-R340 PolarHBondContact O-N 2.78Å; A314-D341 HydrophobicContact CB-CB 4.15Å; A314-D341 PolarHBondContact O-N 2.98Å |
| 315 | N | 89.8 | Confident | 85.8 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | trans | -85.7 | 41.6 | -168.9 | 59.2 | -7.4 | 0 | 0 | 0 | 115.3 | E246 C249 K313 R317 D341 | E246-N315 PolarHBondContact OE2-ND2 3.43Å; C249-N315 PolarHBondContact N-O 2.79Å; C249-N315 VanDerWaalsContact N-O 3.08Å; C249-N315 PolarHBondContact SG-O 3.12Å; C249-N315 VanDerWaalsContact SG-O 3.33Å; K313-N315 WeakPolarHBondContact CE-OD1 3.27Å; K313-N315 WeakPolarHBondContact CG-OD1 3.5Å; K313-N315 PolarHBondContact NZ-OD1 2.76Å; N315-R317 PolarHBondContact O-N 2.86Å; N315-D341 WeakPolarHBondContact CA-OD2 3.26Å | ||
| 316 | V | 93.7 | Very high | 86 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 103.3 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | C249 I251 W293 K313 A314 F318 V319 A338 G339 S345 | C249-V316 CarbonylContact O-C 3.47Å; C249-V316 WeakPolarHBondContact O-CA 3.25Å; I251-V316 HydrophobicContact CD1-CG1 4.44Å; I251-V316 HydrophobicContact CG1-CG1 4.38Å; W293-V316 HydrophobicContact CH2-CG2 3.86Å; W293-V316 HydrophobicContact CZ2-CG2 4.02Å; K313-V316 HydrophobicContact CB-CG2 4.24Å; K313-V316 HydrophobicContact CG-CG2 4.48Å; K313-V316 WeakPolarHBondContact O-CG2 3.32Å; A314-V316 VanDerWaalsContact C-N 3.29Å; A314-V316 PolarHBondContact O-N 2.77Å; A314-V316 VanDerWaalsContact O-N 3.07Å; V316-F318 WeakPolarHBondContact CG1-O 3.43Å; V316-V319 HydrophobicContact CG1-CG2 4.16Å; V316-A338 WeakPolarHBondContact O-CA 3.13Å; V316-G339 PolarHBondContact O-N 2.83Å; V316-S345 PolarHBondContact O-OG 2.88Å |
| 317 | R | 94.9 | Very high | 86.5 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -23.5 | -176.9 | -64 | -69.6 | 72.1 | 84.2 | 5.6 | 114.6 | H241 C249 N315 D341 P344 S345 L346 | H241-R317 VanDerWaalsContact CE1-CD 3.41Å; H241-R317 WeakPolarHBondContact CE1-CD 3.28Å; H241-R317 WeakPolarHBondContact ND1-CD 3.42Å; C249-R317 PolarHBondContact O-N 3.48Å; N315-R317 PolarHBondContact O-N 2.86Å; R317-D341 IonicContact CZ-OD1 3.48Å; R317-D341 IonicContact CZ-OD2 3.05Å; R317-D341 VanDerWaalsContact CZ-OD2 3.23Å; R317-D341 IonicContact NH1-OD2 3.64Å; R317-D341 PolarHBondContact NH1-OD2 3.25Å; R317-D341 IonicContact NH2-OD1 2.77Å; R317-D341 PolarHBondContact NH2-OD1 3.19Å; R317-D341 IonicContact NH2-OD2 3.59Å; R317-D341 PolarHBondContact NH2-OD2 2.91Å; R317-P344 PolarHBondContact NE-O 3.16Å; R317-S345 WeakPolarHBondContact CA-OG 3.47Å; R317-S345 PolarHBondContact NE-OG 3.41Å; R317-S345 PolarHBondContact NH2-OG 3.22Å; R317-S345 VanDerWaalsContact NH2-OG 3.09Å; R317-S345 CarbonylContact O-C 3.51Å; R317-S345 VanDerWaalsContact O-CA 3.22Å; R317-S345 WeakPolarHBondContact O-CA 3.49Å; R317-S345 VanDerWaalsContact O-CB 3.28Å; R317-S345 WeakPolarHBondContact O-CB 3.3Å; R317-L346 PolarHBondContact O-N 2.86Å |
| 318 | F | 96.7 | Very high | 87 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.2 | 170.8 | 68.8 | -89.8 | 0 | 0 | 0 | 114 | F233 I234 A237 L238 G250 I251 V252 V300 V316 A320 L346 | F233-F318 HydrophobicContact CE1-CB 3.82Å; F233-F318 AromaticContact CE1-CD2 3.8Å; F233-F318 HydrophobicContact CE1-CD2 3.8Å; F233-F318 AromaticContact CE1-CG 3.93Å; F233-F318 HydrophobicContact CE1-CG 3.93Å; F233-F318 HydrophobicContact CZ-CB 3.98Å; I234-F318 HydrophobicContact CB-CE1 4.32Å; I234-F318 HydrophobicContact CB-CZ 4.19Å; I234-F318 HydrophobicContact CD1-CE2 4.35Å; I234-F318 HydrophobicContact CD1-CZ 4.13Å; I234-F318 HydrophobicContact CG1-CE1 4.16Å; I234-F318 HydrophobicContact CG1-CE2 3.84Å; I234-F318 HydrophobicContact CG1-CZ 3.58Å; I234-F318 HydrophobicContact CG2-CE1 3.88Å; I234-F318 HydrophobicContact CG2-CZ 3.86Å; A237-F318 HydrophobicContact CB-CB 3.83Å; A237-F318 HydrophobicContact CB-CD1 3.6Å; A237-F318 HydrophobicContact CB-CG 4.03Å; L238-F318 HydrophobicContact CD1-CE1 4.45Å; L238-F318 HydrophobicContact CD2-CD1 4.37Å; L238-F318 HydrophobicContact CD2-CE1 3.99Å; L238-F318 HydrophobicContact CG-CE1 4.04Å; G250-F318 VanDerWaalsContact CA-O 3.25Å; G250-F318 WeakPolarHBondContact CA-O 3.33Å; I251-F318 PolarHBondContact N-O 3.36Å; V252-F318 HydrophobicContact CG2-CE2 4Å; V300-F318 HydrophobicContact CG1-CE2 4.46Å; V300-F318 HydrophobicContact CG1-CZ 4.02Å; V300-F318 HydrophobicContact CG2-CE1 4.37Å; V300-F318 HydrophobicContact CG2-CZ 3.82Å; V316-F318 WeakPolarHBondContact CG1-O 3.43Å; F318-A320 HydrophobicContact CD2-CB 4.37Å; F318-L346 CarbonylContact C-O 3.54Å; F318-L346 WeakPolarHBondContact CA-O 3.22Å; F318-L346 HydrophobicContact CB-CB 4.33Å; F318-L346 WeakPolarHBondContact CB-O 3.43Å |
| 319 | V | 97.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.4 | 160.4 | 178.1 | 0 | 0 | 0 | 0 | 108 | I251 Y253 V316 R337 A338 L346 C347 R348 | I251-V319 HydrophobicContact CB-CG2 4.36Å; I251-V319 CarbonylContact O-C 3.54Å; I251-V319 WeakPolarHBondContact O-CA 3.42Å; Y253-V319 HydrophobicContact CD2-CG1 3.67Å; Y253-V319 HydrophobicContact CE2-CG1 3.84Å; V316-V319 HydrophobicContact CG1-CG2 4.16Å; V319-R337 HydrophobicContact CG2-CB 4.26Å; V319-A338 HydrophobicContact CG2-CB 4.05Å; V319-L346 PolarHBondContact N-O 3.5Å; V319-C347 WeakPolarHBondContact O-CA 3.3Å; V319-R348 PolarHBondContact O-N 3.24Å |
| 320 | A | 98 | Very high | 89.4 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L230 F233 I251 V252 Y253 F318 W322 R348 | L230-A320 HydrophobicContact CD1-CB 4.02Å; F233-A320 HydrophobicContact CD1-CB 4.43Å; F233-A320 HydrophobicContact CE1-CB 3.91Å; I251-A320 PolarHBondContact O-N 2.69Å; V252-A320 CarbonylContact C-O 3.55Å; V252-A320 VanDerWaalsContact CA-O 3.22Å; V252-A320 WeakPolarHBondContact CA-O 3.48Å; V252-A320 HydrophobicContact CG2-CB 4.42Å; Y253-A320 PolarHBondContact N-O 3.29Å; F318-A320 HydrophobicContact CD2-CB 4.37Å; A320-W322 PolarHBondContact O-N 3.42Å; A320-R348 CarbonylContact C-O 3.57Å; A320-R348 WeakPolarHBondContact CA-O 3.24Å |
| 321 | H | 98 | Very high | 91.1 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 104 | 173.1 | -75.6 | 72.2 | 0 | 0 | 0 | 109.8 | Y253 N323 F331 E334 R348 T349 Y350 | Y253-H321 AromaticContact CD2-CE1 3.72Å; Y253-H321 AromaticContact CD2-NE2 3.8Å; H321-N323 VanDerWaalsContact C-N 3.31Å; H321-F331 HydrophobicContact CB-CE2 4.46Å; H321-F331 AromaticContact CD2-CD2 3.97Å; H321-F331 AromaticContact CE1-CD2 3.59Å; H321-F331 AromaticContact CE1-CE2 3.81Å; H321-F331 AromaticContact CG-CD2 3.89Å; H321-F331 AromaticContact CG-CE2 3.91Å; H321-F331 AromaticContact ND1-CD2 3.69Å; H321-F331 AromaticContact ND1-CE2 3.5Å; H321-F331 AromaticContact NE2-CD2 3.78Å; H321-E334 IonicContact CD2-OE2 2.69Å; H321-E334 IonicContact CE1-OE2 2.98Å; H321-E334 WeakPolarHBondContact NE2-CB 3.46Å; H321-E334 IonicContact NE2-OE2 2.95Å; H321-E334 PolarHBondContact NE2-OE2 2.88Å; H321-R348 PolarHBondContact N-O 3.28Å; H321-T349 WeakPolarHBondContact CB-OG1 3.31Å; H321-Y350 WeakPolarHBondContact O-CB 3.38Å; H321-Y350 PolarHBondContact O-N 3Å |
| 322 | W | 97.5 | Very high | 92.1 | Very high | 19 Ų | 19 | 18.4 Ų | 18.4 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -70.4 | -28.7 | 176.5 | -175 | -111.5 | 0 | 0 | 0 | 113.1 | R220 P226 Y227 L230 V252 Y253 V263 A320 Y350 | R220-W322 PolarHBondContact NH1-O 2.89Å; P226-W322 HydrophobicContact CB-CH2 3.49Å; P226-W322 VanDerWaalsContact CB-CH2 3.49Å; P226-W322 HydrophobicContact CB-CZ2 4.25Å; P226-W322 HydrophobicContact CB-CZ3 4.22Å; Y227-W322 AromaticContact CD1-CH2 3.81Å; Y227-W322 HydrophobicContact CD1-CH2 3.81Å; Y227-W322 AromaticContact CD1-CZ2 3.9Å; Y227-W322 HydrophobicContact CD1-CZ2 3.9Å; Y227-W322 AromaticContact CE1-CH2 3.92Å; Y227-W322 HydrophobicContact CE1-CH2 3.92Å; Y227-W322 AromaticContact CE1-CZ2 3.49Å; Y227-W322 HydrophobicContact CE1-CZ2 3.49Å; Y227-W322 VanDerWaalsContact CE1-CZ2 3.49Å; Y227-W322 HydrophobicContact CG-CH2 4.32Å; Y227-W322 AromaticContact CZ-CZ2 3.9Å; L230-W322 HydrophobicContact CB-CZ3 4.03Å; L230-W322 HydrophobicContact CD2-CE3 3.92Å; L230-W322 HydrophobicContact CD2-CZ3 3.93Å; V252-W322 HydrophobicContact CG1-CB 4.17Å; Y253-W322 WeakPolarHBondContact O-CB 3.17Å; Y253-W322 PolarHBondContact O-N 3.45Å; V263-W322 HydrophobicContact CG2-CD2 4.1Å; V263-W322 HydrophobicContact CG2-CG 4Å; V263-W322 HydrophobicContact CG2-CZ2 4.4Å; A320-W322 PolarHBondContact O-N 3.42Å; W322-Y350 HydrophobicContact CE3-CD1 4.27Å; W322-Y350 HydrophobicContact CE3-CD2 4.21Å; W322-Y350 HydrophobicContact CE3-CG 4.1Å; W322-Y350 HydrophobicContact CZ3-CD1 4.15Å; W322-Y350 HydrophobicContact CZ3-CE1 4.15Å; W322-Y350 HydrophobicContact CZ3-CG 4.45Å |
| 323 | N | 95.6 | Very high | 92.8 | Very high | 18 Ų | 18 | 15.4 Ų | 15.4 | 10% | 0.096 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -124.8 | 152.6 | 172.6 | -57.9 | 117.1 | 0 | 0 | 0 | 109.4 | C254 R255 H321 D355 | C254-N323 WeakPolarHBondContact CA-OD1 3.49Å; R255-N323 HydrophobicContact CB-CB 3.79Å; R255-N323 PolarHBondContact N-OD1 3.16Å; H321-N323 VanDerWaalsContact C-N 3.31Å; N323-D355 WeakPolarHBondContact CA-OD2 3.39Å; N323-D355 WeakPolarHBondContact CB-OD2 3.45Å; N323-D355 PolarHBondContact ND2-OD2 2.98Å |
| 324 | L | 94.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 14.7 Ų | 14.7 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | trans | -58.6 | 137.2 | 177.7 | -162.6 | 63 | 0 | 0 | 0 | 112.1 | Y351 L359 L388 M391 V392 | L324-Y351 HydrophobicContact CD1-CD2 4.08Å; L324-Y351 HydrophobicContact CD2-CD2 4.26Å; L324-Y351 HydrophobicContact CD2-CE2 4.12Å; L324-L359 HydrophobicContact CB-CD2 4.2Å; L324-L359 HydrophobicContact CG-CD2 4.46Å; L324-L359 WeakPolarHBondContact O-CD2 3.44Å; L324-L388 HydrophobicContact CD2-CD1 4.21Å; L324-M391 HydrophobicContact CD1-CE 3.68Å; L324-M391 HydrophobicContact CD1-CG 3.74Å; L324-M391 HydrophobicContact CG-CG 3.99Å; L324-V392 HydrophobicContact CD2-CG2 3.94Å | ||
| 325 | A | 93.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 12.3 Ų | 12.3 | 6% | 0.058 | 6% | 0.061 | C | C | . | . | trans | -69.7 | 158.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S327 F331 L359 | A325-S327 VanDerWaalsContact C-N 3.34Å; A325-S327 PolarHBondContact O-N 3.43Å; A325-F331 HydrophobicContact CB-CB 3.79Å; A325-L359 WeakPolarHBondContact O-CD2 3.16Å | ||
| 326 | K | 91.4 | Very high | 93.4 | Very high | 102 Ų | 102 | 12 Ų | 12 | 44% | 0.443 | 6% | 0.06 | S | C | . | . | S | Bend | trans | -67.7 | -30.4 | 179.1 | -79.1 | -173 | 169.8 | -159.8 | 0 | 114.1 | L359 E366 | K326-L359 HydrophobicContact CG-CD1 4.03Å; K326-E366 IonicContact NZ-OE2 3.75Å |
| 327 | S | 91.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 12.8 Ų | 12.8 | 5% | 0.049 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -152.1 | 157.5 | -178.2 | 67.4 | 0 | 0 | 0 | 0 | 110.5 | A325 A329 G330 F331 D387 | A325-S327 VanDerWaalsContact C-N 3.34Å; A325-S327 PolarHBondContact O-N 3.43Å; S327-A329 VanDerWaalsContact C-N 3.29Å; S327-A329 PolarHBondContact O-N 3.2Å; S327-G330 PolarHBondContact O-N 3.04Å; S327-G330 PolarHBondContact OG-N 3.46Å; S327-G330 VanDerWaalsContact OG-N 3.13Å; S327-F331 PolarHBondContact O-N 2.76Å; S327-D387 WeakPolarHBondContact CA-O 3.34Å |
| 328 | L | 92.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.1 | -34.6 | 177.4 | -175.6 | 54.8 | 0 | 0 | 0 | 111.8 | F331 Y332 A390 M391 F394 I405 F408 | L328-F331 HydrophobicContact CD1-CD1 4.11Å; L328-F331 PolarHBondContact O-N 2.87Å; L328-Y332 PolarHBondContact O-N 3.45Å; L328-A390 HydrophobicContact CB-CB 4.29Å; L328-A390 HydrophobicContact CD2-CB 4.49Å; L328-M391 HydrophobicContact CB-CB 4.46Å; L328-M391 HydrophobicContact CB-SD 4.4Å; L328-M391 HydrophobicContact CD1-SD 3.86Å; L328-F394 HydrophobicContact CD1-CB 3.92Å; L328-F394 HydrophobicContact CD1-CD2 3.91Å; L328-F394 HydrophobicContact CD1-CG 3.85Å; L328-F394 HydrophobicContact CD2-CB 4.43Å; L328-I405 HydrophobicContact CD1-CG1 4.39Å; L328-F408 HydrophobicContact CB-CD2 4.41Å; L328-F408 HydrophobicContact CB-CE1 4.49Å; L328-F408 HydrophobicContact CB-CE2 4.37Å; L328-F408 HydrophobicContact CB-CG 4.48Å; L328-F408 HydrophobicContact CB-CZ 4.42Å; L328-F408 HydrophobicContact CD2-CB 3.7Å; L328-F408 HydrophobicContact CD2-CD1 4.28Å; L328-F408 HydrophobicContact CD2-CD2 3.95Å; L328-F408 HydrophobicContact CD2-CG 3.71Å; L328-F408 HydrophobicContact CG-CD1 4.33Å; L328-F408 HydrophobicContact CG-CG 4.24Å |
| 329 | A | 89.1 | Confident | 92.8 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 3% | 0.033 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H156 S327 Y332 Q333 F408 F409 | H156-A329 HydrophobicContact CB-CB 4.07Å; S327-A329 VanDerWaalsContact C-N 3.29Å; S327-A329 PolarHBondContact O-N 3.2Å; A329-Y332 PolarHBondContact O-N 2.93Å; A329-Q333 PolarHBondContact O-N 3.28Å; A329-F408 HydrophobicContact CB-CE1 3.96Å; A329-F408 HydrophobicContact CB-CZ 4.33Å; A329-F409 HydrophobicContact CB-CZ 4.37Å |
| 330 | G | 89.2 | Confident | 92.3 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 9% | 0.093 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S327 Y332 Q333 E334 | S327-G330 PolarHBondContact O-N 3.04Å; S327-G330 PolarHBondContact OG-N 3.46Å; S327-G330 VanDerWaalsContact OG-N 3.13Å; G330-Y332 PolarHBondContact O-N 3.29Å; G330-Q333 PolarHBondContact O-N 2.99Å; G330-E334 WeakPolarHBondContact O-CB 3.41Å; G330-E334 VanDerWaalsContact O-CG 3.25Å; G330-E334 WeakPolarHBondContact O-CG 3.37Å; G330-E334 PolarHBondContact O-N 2.95Å |
| 331 | F | 93.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 174.8 | 174.8 | -111.7 | 0 | 0 | 0 | 111.7 | Y215 H321 A325 S327 L328 Q333 E334 S335 T349 M391 F394 | Y215-F331 AromaticContact CD1-CE1 3.92Å; Y215-F331 HydrophobicContact CD1-CE1 3.92Å; Y215-F331 AromaticContact CD1-CZ 4Å; Y215-F331 HydrophobicContact CD1-CZ 4Å; Y215-F331 AromaticContact CE1-CE1 3.72Å; Y215-F331 HydrophobicContact CE1-CE1 3.72Å; Y215-F331 AromaticContact CE1-CZ 3.94Å; Y215-F331 HydrophobicContact CE1-CZ 3.94Å; H321-F331 HydrophobicContact CB-CE2 4.46Å; H321-F331 AromaticContact CD2-CD2 3.97Å; H321-F331 AromaticContact CE1-CD2 3.59Å; H321-F331 AromaticContact CE1-CE2 3.81Å; H321-F331 AromaticContact CG-CD2 3.89Å; H321-F331 AromaticContact CG-CE2 3.91Å; H321-F331 AromaticContact ND1-CD2 3.69Å; H321-F331 AromaticContact ND1-CE2 3.5Å; H321-F331 AromaticContact NE2-CD2 3.78Å; A325-F331 HydrophobicContact CB-CB 3.79Å; S327-F331 PolarHBondContact O-N 2.76Å; L328-F331 HydrophobicContact CD1-CD1 4.11Å; L328-F331 PolarHBondContact O-N 2.87Å; F331-Q333 PolarHBondContact O-N 3.1Å; F331-E334 PolarHBondContact O-N 3.05Å; F331-S335 WeakPolarHBondContact O-CB 3.39Å; F331-S335 PolarHBondContact O-N 3.42Å; F331-S335 PolarHBondContact O-OG 3.34Å; F331-T349 WeakPolarHBondContact CE2-OG1 3.3Å; F331-M391 HydrophobicContact CB-CE 3.88Å; F331-M391 HydrophobicContact CB-SD 3.52Å; F331-M391 VanDerWaalsContact CB-SD 3.52Å; F331-M391 HydrophobicContact CD1-CE 3.89Å; F331-M391 HydrophobicContact CD1-SD 4.08Å; F331-M391 HydrophobicContact CD2-CE 3.77Å; F331-M391 HydrophobicContact CE1-CE 4.38Å; F331-M391 HydrophobicContact CE2-CE 4.29Å; F331-M391 HydrophobicContact CG-CE 3.55Å; F331-M391 HydrophobicContact CG-SD 3.81Å; F331-F394 HydrophobicContact CD1-CE1 4.3Å; F331-F394 HydrophobicContact CE1-CD1 4.35Å; F331-F394 AromaticContact CE1-CE1 3.6Å; F331-F394 HydrophobicContact CE1-CE1 3.6Å; F331-F394 HydrophobicContact CE1-CE2 4.46Å; F331-F394 AromaticContact CE1-CZ 3.67Å; F331-F394 HydrophobicContact CE1-CZ 3.67Å; F331-F394 HydrophobicContact CZ-CE1 4.08Å; F331-F394 HydrophobicContact CZ-CZ 4.35Å |
| 332 | Y | 91.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.2 | 178.7 | -88.4 | 0 | 0 | 0 | 112.7 | T183 V208 L328 A329 G330 E334 S335 G336 I405 F409 | T183-Y332 HydrophobicContact CG2-CD1 3.51Å; T183-Y332 HydrophobicContact CG2-CE1 3.27Å; V208-Y332 HydrophobicContact CB-CE2 3.99Å; V208-Y332 WeakPolarHBondContact O-CE2 3.45Å; V208-Y332 PolarHBondContact O-OH 3.23Å; L328-Y332 PolarHBondContact O-N 3.45Å; A329-Y332 PolarHBondContact O-N 2.93Å; G330-Y332 PolarHBondContact O-N 3.29Å; Y332-E334 VanDerWaalsContact C-N 3.28Å; Y332-E334 PolarHBondContact O-N 3.49Å; Y332-S335 WeakPolarHBondContact CA-OG 3.44Å; Y332-S335 PolarHBondContact O-OG 3.44Å; Y332-G336 WeakPolarHBondContact O-CA 3.34Å; Y332-G336 PolarHBondContact O-N 2.92Å; Y332-I405 HydrophobicContact CD2-CG2 3.64Å; Y332-I405 HydrophobicContact CE2-CG2 4.06Å; Y332-I405 HydrophobicContact CG-CG2 4.47Å; Y332-F409 HydrophobicContact CD1-CE2 4.2Å; Y332-F409 HydrophobicContact CD1-CZ 4.22Å; Y332-F409 HydrophobicContact CD2-CE2 4.39Å; Y332-F409 AromaticContact CG-CE2 3.94Å; Y332-F409 HydrophobicContact CG-CE2 3.94Å; Y332-F409 HydrophobicContact CG-CZ 4.28Å |
| 333 | Q | 88.4 | Confident | 90.9 | Very high | 35 Ų | 35 | 21.5 Ų | 21.5 | 16% | 0.164 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -34 | 177.3 | -164 | -166.9 | 32.1 | 0 | 0 | 112.1 | H156 A329 G330 F331 | H156-Q333 PolarHBondContact NE2-NE2 3.46Å; H156-Q333 PolarHBondContact NE2-OE1 2.92Å; A329-Q333 PolarHBondContact O-N 3.28Å; G330-Q333 PolarHBondContact O-N 2.99Å; F331-Q333 PolarHBondContact O-N 3.1Å |
| 334 | E | 91.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 7% | 0.065 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -78.9 | -46.1 | 179.4 | -72.2 | 168.2 | 173.4 | 0 | 0 | 112.3 | Y253 I305 H321 G330 F331 Y332 R337 | Y253-E334 HydrophobicContact CD2-CB 4.05Å; Y253-E334 HydrophobicContact CE2-CB 3.72Å; Y253-E334 HydrophobicContact CE2-CG 4.17Å; I305-E334 WeakPolarHBondContact CG1-OE1 3.23Å; I305-E334 WeakPolarHBondContact CG2-OE1 3.4Å; H321-E334 IonicContact CD2-OE2 2.69Å; H321-E334 IonicContact CE1-OE2 2.98Å; H321-E334 WeakPolarHBondContact NE2-CB 3.46Å; H321-E334 IonicContact NE2-OE2 2.95Å; H321-E334 PolarHBondContact NE2-OE2 2.88Å; G330-E334 WeakPolarHBondContact O-CB 3.41Å; G330-E334 VanDerWaalsContact O-CG 3.25Å; G330-E334 WeakPolarHBondContact O-CG 3.37Å; G330-E334 PolarHBondContact O-N 2.95Å; F331-E334 PolarHBondContact O-N 3.05Å; Y332-E334 VanDerWaalsContact C-N 3.28Å; Y332-E334 PolarHBondContact O-N 3.49Å; E334-R337 WeakPolarHBondContact O-CB 3.31Å; E334-R337 WeakPolarHBondContact O-CD 3.26Å; E334-R337 VanDerWaalsContact O-CG 3.23Å; E334-R337 WeakPolarHBondContact O-CG 3.46Å; E334-R337 PolarHBondContact O-N 3.3Å |
| 335 | S | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.4 | -37.9 | 177.2 | 64 | 0 | 0 | 0 | 0 | 112.2 | Y215 F331 Y332 R337 A338 | Y215-S335 WeakPolarHBondContact CE1-OG 3.15Å; Y215-S335 PolarHBondContact OH-OG 3Å; F331-S335 WeakPolarHBondContact O-CB 3.39Å; F331-S335 PolarHBondContact O-N 3.42Å; F331-S335 PolarHBondContact O-OG 3.34Å; Y332-S335 WeakPolarHBondContact CA-OG 3.44Å; Y332-S335 PolarHBondContact O-OG 3.44Å; S335-R337 PolarHBondContact O-N 2.96Å; S335-A338 WeakPolarHBondContact O-CB 3.32Å; S335-A338 PolarHBondContact O-N 3.44Å |
| 336 | G | 90.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 6% | 0.062 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 1.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R210 Y332 A338 | R210-G336 PolarHBondContact NH1-O 3.46Å; Y332-G336 WeakPolarHBondContact O-CA 3.34Å; Y332-G336 PolarHBondContact O-N 2.92Å; G336-A338 VanDerWaalsContact C-N 3.3Å |
| 337 | R | 90.1 | Very high | 91.2 | Very high | 21 Ų | 21 | 20 Ų | 20 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -23.4 | 167 | -61.7 | 178.8 | -176.2 | -66.1 | -9.6 | 112.9 | I251 Y253 G308 V319 E334 S335 | I251-R337 HydrophobicContact CD1-CB 4.29Å; Y253-R337 WeakPolarHBondContact OH-CD 3.4Å; Y253-R337 PolarHBondContact OH-NE 3.46Å; Y253-R337 VanDerWaalsContact OH-NE 3.13Å; G308-R337 VanDerWaalsContact C-NH2 3.34Å; G308-R337 VanDerWaalsContact O-CZ 3.24Å; G308-R337 PolarHBondContact O-NH1 3.49Å; G308-R337 PolarHBondContact O-NH2 3.19Å; V319-R337 HydrophobicContact CG2-CB 4.26Å; E334-R337 WeakPolarHBondContact O-CB 3.31Å; E334-R337 WeakPolarHBondContact O-CD 3.26Å; E334-R337 VanDerWaalsContact O-CG 3.23Å; E334-R337 WeakPolarHBondContact O-CG 3.46Å; E334-R337 PolarHBondContact O-N 3.3Å; S335-R337 PolarHBondContact O-N 2.96Å |
| 338 | A | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -64.5 | 150.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | R210 L213 V316 V319 S335 G336 R340 | R210-A338 PolarHBondContact NH2-O 2.94Å; L213-A338 HydrophobicContact CD2-CB 3.74Å; V316-A338 WeakPolarHBondContact O-CA 3.13Å; V319-A338 HydrophobicContact CG2-CB 4.05Å; S335-A338 WeakPolarHBondContact O-CB 3.32Å; S335-A338 PolarHBondContact O-N 3.44Å; G336-A338 VanDerWaalsContact C-N 3.3Å; A338-R340 PolarHBondContact O-N 2.91Å |
| 339 | G | 90.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | trans | 58.6 | 40.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R210 N212 V316 D341 G342 S345 | R210-G339 VanDerWaalsContact NH2-C 3.34Å; R210-G339 PolarHBondContact NH2-O 2.97Å; N212-G339 PolarHBondContact ND2-O 3.3Å; V316-G339 PolarHBondContact O-N 2.83Å; G339-D341 VanDerWaalsContact C-N 3.26Å; G339-D341 WeakPolarHBondContact CA-OD1 3.18Å; G339-G342 PolarHBondContact O-N 3.39Å; G339-S345 WeakPolarHBondContact CA-OG 3.5Å; G339-S345 PolarHBondContact N-OG 2.95Å | ||
| 340 | R | 87.1 | Confident | 92.2 | Very high | 27 Ų | 27 | 20.9 Ų | 20.9 | 10% | 0.102 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.7 | -179.4 | -77.4 | -170.4 | -176.9 | 172.5 | 12.7 | 113.8 | V311 D312 A314 A338 | V311-R340 PolarHBondContact O-NH1 2.93Å; D312-R340 VanDerWaalsContact OD1-CD 3.28Å; D312-R340 WeakPolarHBondContact OD1-CD 3.22Å; D312-R340 IonicContact OD1-CZ 2.82Å; D312-R340 IonicContact OD1-NE 3.15Å; D312-R340 IonicContact OD1-NH1 3.43Å; D312-R340 PolarHBondContact OD1-NH1 3.18Å; D312-R340 IonicContact OD2-NH1 2.82Å; A314-R340 PolarHBondContact O-N 2.78Å; A338-R340 PolarHBondContact O-N 2.91Å |
| 341 | D | 86.5 | Confident | 92.5 | Very high | 58 Ų | 58 | 20.5 Ų | 20.5 | 31% | 0.31 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -5.9 | 162.7 | 49.6 | 12.8 | 0 | 0 | 0 | 113.4 | A314 N315 R317 G339 L343 | A314-D341 HydrophobicContact CB-CB 4.15Å; A314-D341 PolarHBondContact O-N 2.98Å; N315-D341 WeakPolarHBondContact CA-OD2 3.26Å; R317-D341 IonicContact CZ-OD1 3.48Å; R317-D341 IonicContact CZ-OD2 3.05Å; R317-D341 VanDerWaalsContact CZ-OD2 3.23Å; R317-D341 IonicContact NH1-OD2 3.64Å; R317-D341 PolarHBondContact NH1-OD2 3.25Å; R317-D341 IonicContact NH2-OD1 2.77Å; R317-D341 PolarHBondContact NH2-OD1 3.19Å; R317-D341 IonicContact NH2-OD2 3.59Å; R317-D341 PolarHBondContact NH2-OD2 2.91Å; G339-D341 VanDerWaalsContact C-N 3.26Å; G339-D341 WeakPolarHBondContact CA-OD1 3.18Å; D341-L343 HydrophobicContact CB-CG 4.31Å; D341-L343 PolarHBondContact O-N 2.86Å; D341-L343 PolarHBondContact OD1-N 3.46Å; D341-L343 VanDerWaalsContact OD1-N 3.1Å |
| 342 | G | 86.7 | Confident | 92.6 | Very high | 47 Ų | 47 | 20.4 Ų | 20.4 | 49% | 0.485 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 80.8 | -4.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N212 G339 | N212-G342 WeakPolarHBondContact CB-O 3.43Å; N212-G342 PolarHBondContact ND2-O 3.22Å; G339-G342 PolarHBondContact O-N 3.39Å |
| 343 | L | 90.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 23.4 Ų | 23.4 | 41% | 0.414 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -76.6 | 157.8 | 179.6 | -62.1 | -179.9 | 0 | 0 | 0 | 111.9 | N212 D341 S345 | N212-L343 PolarHBondContact ND2-O 3.04Å; D341-L343 HydrophobicContact CB-CG 4.31Å; D341-L343 PolarHBondContact O-N 2.86Å; D341-L343 PolarHBondContact OD1-N 3.46Å; D341-L343 VanDerWaalsContact OD1-N 3.1Å; L343-S345 PolarHBondContact O-N 2.89Å |
| 344 | P | 92.1 | Very high | 92.7 | Very high | 77 Ų | 77 | 28.2 Ų | 28.2 | 50% | 0.5 | 15% | 0.149 | S | C | . | . | trans | -55.3 | 131 | 179 | -26.6 | 35.9 | 0 | 0 | 0 | 113.1 | N212 H241 R317 | N212-P344 WeakPolarHBondContact O-CA 3.24Å; H241-P344 PolarHBondContact CE1-O 3.08Å; R317-P344 PolarHBondContact NE-O 3.16Å | ||
| 345 | S | 95.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 152.6 | 176.5 | -68 | 0 | 0 | 0 | 0 | 112.3 | N212 H214 V316 R317 G339 L343 | N212-S345 PolarHBondContact O-N 2.89Å; H214-S345 PolarHBondContact N-O 3.5Å; V316-S345 PolarHBondContact O-OG 2.88Å; R317-S345 WeakPolarHBondContact CA-OG 3.47Å; R317-S345 PolarHBondContact NE-OG 3.41Å; R317-S345 PolarHBondContact NH2-OG 3.22Å; R317-S345 VanDerWaalsContact NH2-OG 3.09Å; R317-S345 CarbonylContact O-C 3.51Å; R317-S345 VanDerWaalsContact O-CA 3.22Å; R317-S345 WeakPolarHBondContact O-CA 3.49Å; R317-S345 VanDerWaalsContact O-CB 3.28Å; R317-S345 WeakPolarHBondContact O-CB 3.3Å; G339-S345 WeakPolarHBondContact CA-OG 3.5Å; G339-S345 PolarHBondContact N-OG 2.95Å; L343-S345 PolarHBondContact O-N 2.89Å |
| 346 | L | 96.7 | Very high | 92.8 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.7 | -175.1 | -54.4 | -172.8 | 0 | 0 | 0 | 113 | H214 F233 A237 M240 R317 F318 V319 | H214-L346 HydrophobicContact CB-CD2 3.77Å; F233-L346 HydrophobicContact CD2-CD1 4.19Å; F233-L346 HydrophobicContact CE2-CB 3.69Å; F233-L346 HydrophobicContact CE2-CD1 3.65Å; F233-L346 HydrophobicContact CE2-CG 4.33Å; F233-L346 HydrophobicContact CZ-CB 3.62Å; F233-L346 HydrophobicContact CZ-CD1 4.25Å; A237-L346 HydrophobicContact CB-CD1 4.06Å; A237-L346 HydrophobicContact CB-CG 4.46Å; M240-L346 HydrophobicContact CE-CD1 3.96Å; M240-L346 HydrophobicContact CE-CD2 4.12Å; M240-L346 HydrophobicContact CE-CG 4.32Å; R317-L346 PolarHBondContact O-N 2.86Å; F318-L346 CarbonylContact C-O 3.54Å; F318-L346 WeakPolarHBondContact CA-O 3.22Å; F318-L346 HydrophobicContact CB-CB 4.33Å; F318-L346 WeakPolarHBondContact CB-O 3.43Å; V319-L346 PolarHBondContact N-O 3.5Å |
| 347 | C | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 98.9 | 179.7 | -69 | 0 | 0 | 0 | 0 | 110.3 | H214 Y215 D216 V319 | H214-C347 PolarHBondContact O-N 2.84Å; Y215-C347 WeakPolarHBondContact CA-O 3.24Å; Y215-C347 HydrophobicContact CD1-CB 3.54Å; Y215-C347 HydrophobicContact CD2-CB 4.36Å; Y215-C347 HydrophobicContact CE1-CB 3.53Å; Y215-C347 HydrophobicContact CE2-CB 4.37Å; Y215-C347 HydrophobicContact CG-CB 3.99Å; D216-C347 PolarHBondContact N-O 2.99Å; V319-C347 WeakPolarHBondContact O-CA 3.3Å |
| 348 | R | 98 | Very high | 93.1 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134 | -174 | -177.7 | 167.7 | -81.1 | -166.6 | -8.1 | 112.7 | D216 I218 H229 F233 V319 A320 H321 Y350 | D216-R348 WeakPolarHBondContact O-CA 3.45Å; D216-R348 VanDerWaalsContact OD1-CA 3.27Å; D216-R348 WeakPolarHBondContact OD1-CA 3.49Å; D216-R348 WeakPolarHBondContact OD1-CB 3.4Å; D216-R348 VanDerWaalsContact OD1-CG 3.25Å; D216-R348 WeakPolarHBondContact OD1-CG 3.23Å; D216-R348 IonicContact OD1-NE 2.71Å; D216-R348 PolarHBondContact OD1-NE 3.13Å; D216-R348 VanDerWaalsContact OD1-NE 3.1Å; D216-R348 IonicContact OD2-CZ 2.76Å; D216-R348 IonicContact OD2-NE 2.75Å; D216-R348 PolarHBondContact OD2-NE 3.1Å; D216-R348 IonicContact OD2-NH2 3.21Å; D216-R348 PolarHBondContact OD2-NH2 3.47Å; I218-R348 HydrophobicContact CG1-CG 4.13Å; H229-R348 PolarHBondContact CE1-NH1 3.07Å; F233-R348 HydrophobicContact CD2-CB 4.49Å; F233-R348 HydrophobicContact CE1-CB 4.24Å; F233-R348 HydrophobicContact CE2-CB 3.77Å; F233-R348 HydrophobicContact CE2-CG 4.48Å; F233-R348 HydrophobicContact CZ-CB 3.63Å; V319-R348 PolarHBondContact O-N 3.24Å; A320-R348 CarbonylContact C-O 3.57Å; A320-R348 WeakPolarHBondContact CA-O 3.24Å; H321-R348 PolarHBondContact N-O 3.28Å; R348-Y350 VanDerWaalsContact CD-CE2 3.5Å; R348-Y350 HydrophobicContact CG-CD2 4.15Å; R348-Y350 HydrophobicContact CG-CE2 3.8Å |
| 349 | T | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.5 | 168.5 | -114.2 | 0 | 0 | 0 | 0 | 111.1 | D216 V217 I218 H321 F331 M391 | D216-T349 PolarHBondContact O-N 3.14Å; V217-T349 HydrophobicContact CG1-CG2 4.27Å; V217-T349 HydrophobicContact CG2-CG2 4.26Å; I218-T349 PolarHBondContact N-O 3.35Å; H321-T349 WeakPolarHBondContact CB-OG1 3.31Å; F331-T349 WeakPolarHBondContact CE2-OG1 3.3Å; T349-M391 HydrophobicContact CG2-CE 4.36Å |
| 350 | Y | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 101 | 171.5 | -74 | -99.3 | 0 | 0 | 0 | 109.2 | I218 R220 L223 H229 L230 H321 W322 R348 | I218-Y350 HydrophobicContact CB-CD1 4.45Å; I218-Y350 HydrophobicContact CG2-CD1 4.32Å; I218-Y350 HydrophobicContact CG2-CE1 4.27Å; I218-Y350 CarbonylContact O-C 3.36Å; I218-Y350 WeakPolarHBondContact O-CA 3.24Å; R220-Y350 HydrophobicContact CB-CD1 4.35Å; R220-Y350 HydrophobicContact CG-CD1 4.26Å; L223-Y350 HydrophobicContact CD1-CD1 4.29Å; L223-Y350 HydrophobicContact CD1-CE1 3.97Å; H229-Y350 AromaticContact ND1-CE1 3.7Å; H229-Y350 AromaticContact ND1-CZ 3.99Å; H229-Y350 PolarHBondContact ND1-OH 3.01Å; L230-Y350 VanDerWaalsContact CA-OH 3.28Å; L230-Y350 WeakPolarHBondContact CA-OH 3.4Å; L230-Y350 HydrophobicContact CD1-CE2 3.88Å; L230-Y350 PolarHBondContact N-OH 3.36Å; H321-Y350 WeakPolarHBondContact O-CB 3.38Å; H321-Y350 PolarHBondContact O-N 3Å; W322-Y350 HydrophobicContact CE3-CD1 4.27Å; W322-Y350 HydrophobicContact CE3-CD2 4.21Å; W322-Y350 HydrophobicContact CE3-CG 4.1Å; W322-Y350 HydrophobicContact CZ3-CD1 4.15Å; W322-Y350 HydrophobicContact CZ3-CE1 4.15Å; W322-Y350 HydrophobicContact CZ3-CG 4.45Å; R348-Y350 VanDerWaalsContact CD-CE2 3.5Å; R348-Y350 HydrophobicContact CG-CD2 4.15Å; R348-Y350 HydrophobicContact CG-CE2 3.8Å |
| 351 | Y | 96.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 144.6 | -179.7 | -179.1 | -105.3 | 0 | 0 | 0 | 111.8 | I218 F219 R220 L324 R353 K356 C395 E396 | I218-Y351 PolarHBondContact O-N 3.15Å; F219-Y351 CarbonylContact C-O 3.51Å; F219-Y351 WeakPolarHBondContact CA-O 3.36Å; F219-Y351 AromaticContact CD1-CD1 3.57Å; F219-Y351 HydrophobicContact CD1-CD1 3.57Å; F219-Y351 HydrophobicContact CD1-CE1 4.11Å; F219-Y351 AromaticContact CE1-CD1 3.32Å; F219-Y351 HydrophobicContact CE1-CD1 3.32Å; F219-Y351 AromaticContact CE1-CE1 3.6Å; F219-Y351 HydrophobicContact CE1-CE1 3.6Å; F219-Y351 HydrophobicContact CE1-CG 4.49Å; F219-Y351 HydrophobicContact CG-CD1 4.32Å; F219-Y351 AromaticContact CZ-CD1 3.88Å; F219-Y351 HydrophobicContact CZ-CD1 3.88Å; F219-Y351 HydrophobicContact CZ-CE1 4.31Å; R220-Y351 WeakPolarHBondContact CB-O 3.43Å; R220-Y351 PolarHBondContact N-O 3.24Å; L324-Y351 HydrophobicContact CD1-CD2 4.08Å; L324-Y351 HydrophobicContact CD2-CD2 4.26Å; L324-Y351 HydrophobicContact CD2-CE2 4.12Å; Y351-R353 HydrophobicContact CE1-CG 4.49Å; Y351-K356 HydrophobicContact CE2-CB 4.23Å; Y351-K356 HydrophobicContact CE2-CD 4.4Å; Y351-K356 WeakPolarHBondContact OH-CD 3.44Å; Y351-C395 HydrophobicContact CD1-CB 4.38Å; Y351-C395 HydrophobicContact CD2-CB 3.66Å; Y351-C395 HydrophobicContact CE2-CB 4.14Å; Y351-C395 HydrophobicContact CG-CB 3.8Å; Y351-E396 HydrophobicContact CE1-CG 3.92Å; Y351-E396 PolarHBondContact OH-OE1 3.39Å |
| 352 | S | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -154.4 | 137 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 109 | R220 D221 K354 D355 K356 | R220-S352 PolarHBondContact NH2-OG 3.23Å; R220-S352 VanDerWaalsContact NH2-OG 3.17Å; D221-S352 WeakPolarHBondContact OD1-CB 3.31Å; D221-S352 PolarHBondContact OD1-OG 3.27Å; D221-S352 WeakPolarHBondContact OD2-CA 3.35Å; D221-S352 WeakPolarHBondContact OD2-CB 3.37Å; D221-S352 PolarHBondContact OD2-OG 2.98Å; S352-K354 VanDerWaalsContact C-N 3.27Å; S352-K354 PolarHBondContact O-N 3Å; S352-D355 WeakPolarHBondContact O-CB 3.43Å; S352-D355 PolarHBondContact O-N 3.48Å; S352-D355 VanDerWaalsContact O-N 3.08Å; S352-K356 PolarHBondContact O-N 3.36Å; S352-K356 VanDerWaalsContact O-N 3.11Å | ||
| 353 | R | 90.7 | Very high | 93.9 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63 | -37.8 | -179 | -69.1 | 179.3 | 179.5 | -110.9 | 2 | 111.3 | D221 Y351 D355 K356 E357 A436 C440 | D221-R353 PolarHBondContact OD2-N 3.15Å; Y351-R353 HydrophobicContact CE1-CG 4.49Å; R353-D355 VanDerWaalsContact C-N 3.28Å; R353-D355 PolarHBondContact O-N 2.78Å; R353-K356 WeakPolarHBondContact O-CB 3.29Å; R353-K356 PolarHBondContact O-N 2.49Å; R353-K356 VanDerWaalsContact O-N 3.13Å; R353-E357 WeakPolarHBondContact O-CG 3.36Å; R353-E357 PolarHBondContact O-N 2.95Å; R353-A436 PolarHBondContact NE-O 2.84Å; R353-A436 PolarHBondContact NH2-O 3.47Å; R353-C440 PolarHBondContact NH1-SG 2.83Å |
| 354 | K | 91.9 | Very high | 93.9 | Very high | 136 Ų | 136 | 49 Ų | 49 | 59% | 0.591 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61.9 | -33.2 | 174.8 | -63.4 | 177.4 | -178 | 173.4 | 0 | 112.6 | S352 Q358 | S352-K354 VanDerWaalsContact C-N 3.27Å; S352-K354 PolarHBondContact O-N 3Å; K354-Q358 WeakPolarHBondContact O-CB 3.5Å; K354-Q358 WeakPolarHBondContact O-CG 3.45Å; K354-Q358 PolarHBondContact O-N 2.85Å; K354-Q358 VanDerWaalsContact O-N 3.16Å |
| 355 | D | 91.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.6 | -41.8 | 174.2 | -81.7 | 21.3 | 0 | 0 | 0 | 111.3 | R220 N323 S352 R353 Q358 L359 | R220-D355 IonicContact CZ-OD1 2.67Å; R220-D355 IonicContact CZ-OD2 3.16Å; R220-D355 IonicContact NH1-OD1 3.81Å; R220-D355 IonicContact NH1-OD2 3.68Å; R220-D355 PolarHBondContact NH1-OD2 2.89Å; R220-D355 IonicContact NH2-OD1 3.39Å; R220-D355 PolarHBondContact NH2-OD1 2.96Å; R220-D355 IonicContact NH2-OD2 2.85Å; R220-D355 PolarHBondContact NH2-OD2 3.44Å; N323-D355 WeakPolarHBondContact CA-OD2 3.39Å; N323-D355 WeakPolarHBondContact CB-OD2 3.45Å; N323-D355 PolarHBondContact ND2-OD2 2.98Å; S352-D355 WeakPolarHBondContact O-CB 3.43Å; S352-D355 PolarHBondContact O-N 3.48Å; S352-D355 VanDerWaalsContact O-N 3.08Å; R353-D355 VanDerWaalsContact C-N 3.28Å; R353-D355 PolarHBondContact O-N 2.78Å; D355-Q358 PolarHBondContact O-N 3.13Å; D355-L359 VanDerWaalsContact O-CB 3.23Å; D355-L359 WeakPolarHBondContact O-CB 3.5Å; D355-L359 PolarHBondContact O-N 2.66Å |
| 356 | K | 93.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.9 | -51.5 | 173.6 | 163.7 | 177.5 | 171.9 | -179.7 | 0 | 111.2 | Y351 S352 R353 Q358 L359 H360 V392 E396 | Y351-K356 HydrophobicContact CE2-CB 4.23Å; Y351-K356 HydrophobicContact CE2-CD 4.4Å; Y351-K356 WeakPolarHBondContact OH-CD 3.44Å; S352-K356 PolarHBondContact O-N 3.36Å; S352-K356 VanDerWaalsContact O-N 3.11Å; R353-K356 WeakPolarHBondContact O-CB 3.29Å; R353-K356 PolarHBondContact O-N 2.49Å; R353-K356 VanDerWaalsContact O-N 3.13Å; K356-Q358 PolarHBondContact O-N 3.05Å; K356-L359 PolarHBondContact O-N 2.97Å; K356-H360 VanDerWaalsContact O-CB 3.27Å; K356-H360 WeakPolarHBondContact O-CB 3.22Å; K356-H360 PolarHBondContact O-N 3.07Å; K356-V392 HydrophobicContact CB-CG2 4.49Å; K356-V392 HydrophobicContact CD-CB 4.49Å; K356-V392 HydrophobicContact CD-CG1 3.77Å; K356-V392 HydrophobicContact CD-CG2 3.8Å; K356-V392 HydrophobicContact CG-CG2 3.92Å; K356-V392 VanDerWaalsContact NZ-CG1 3.34Å; K356-E396 VanDerWaalsContact NZ-CD 3.34Å; K356-E396 IonicContact NZ-OE1 2.7Å; K356-E396 PolarHBondContact NZ-OE1 3.14Å; K356-E396 IonicContact NZ-OE2 3.19Å; K356-E396 PolarHBondContact NZ-OE2 3.2Å |
| 357 | E | 93.6 | Very high | 92.9 | Very high | 124 Ų | 124 | 53.1 Ų | 53.1 | 58% | 0.579 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59 | -48.2 | 178 | -71.7 | 157.7 | -151 | 0 | 0 | 112.4 | R353 L359 H360 F361 | R353-E357 WeakPolarHBondContact O-CG 3.36Å; R353-E357 PolarHBondContact O-N 2.95Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.16Å; E357-H360 PolarHBondContact O-N 3.19Å; E357-F361 WeakPolarHBondContact O-CB 3.49Å; E357-F361 PolarHBondContact O-N 2.99Å |
| 358 | Q | 92.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 56.2 Ų | 56.2 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 178.7 | -73.4 | 176.2 | 32.3 | 0 | 0 | 112.5 | K354 D355 K356 L362 | K354-Q358 WeakPolarHBondContact O-CB 3.5Å; K354-Q358 WeakPolarHBondContact O-CG 3.45Å; K354-Q358 PolarHBondContact O-N 2.85Å; K354-Q358 VanDerWaalsContact O-N 3.16Å; D355-Q358 PolarHBondContact O-N 3.13Å; K356-Q358 PolarHBondContact O-N 3.05Å; Q358-L362 VanDerWaalsContact O-CG 3.26Å; Q358-L362 WeakPolarHBondContact O-CG 3.31Å; Q358-L362 PolarHBondContact O-N 3.1Å |
| 359 | L | 92.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.5 | -40.7 | 177.9 | -165.8 | 53.3 | 0 | 0 | 0 | 111.2 | L324 A325 K326 D355 K356 E357 L362 I363 L388 | L324-L359 HydrophobicContact CB-CD2 4.2Å; L324-L359 HydrophobicContact CG-CD2 4.46Å; L324-L359 WeakPolarHBondContact O-CD2 3.44Å; A325-L359 WeakPolarHBondContact O-CD2 3.16Å; K326-L359 HydrophobicContact CG-CD1 4.03Å; D355-L359 VanDerWaalsContact O-CB 3.23Å; D355-L359 WeakPolarHBondContact O-CB 3.5Å; D355-L359 PolarHBondContact O-N 2.66Å; K356-L359 PolarHBondContact O-N 2.97Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.16Å; L359-L362 PolarHBondContact O-N 3.03Å; L359-I363 HydrophobicContact CD1-CD1 4.41Å; L359-I363 HydrophobicContact CG-CD1 4.18Å; L359-I363 WeakPolarHBondContact O-CG1 3.49Å; L359-I363 PolarHBondContact O-N 3.31Å; L359-L388 HydrophobicContact CB-CD1 4.41Å; L359-L388 HydrophobicContact CD2-CD1 3.64Å; L359-L388 HydrophobicContact CG-CD1 3.92Å |
| 360 | H | 93.4 | Very high | 91.1 | Very high | 44 Ų | 44 | 66.8 Ų | 66.8 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 173.6 | -168.7 | -19.9 | 0 | 0 | 0 | 111.8 | K356 E357 I363 R364 L385 L388 | K356-H360 VanDerWaalsContact O-CB 3.27Å; K356-H360 WeakPolarHBondContact O-CB 3.22Å; K356-H360 PolarHBondContact O-N 3.07Å; E357-H360 PolarHBondContact O-N 3.19Å; H360-I363 PolarHBondContact O-N 3.04Å; H360-R364 PolarHBondContact CE1-NE 3.48Å; H360-R364 PolarHBondContact CE1-NH2 3.43Å; H360-R364 VanDerWaalsContact CE1-NH2 3.31Å; H360-R364 PolarHBondContact NE2-NH2 3.25Å; H360-R364 WeakPolarHBondContact O-CB 3.34Å; H360-R364 PolarHBondContact O-N 2.97Å; H360-L385 VanDerWaalsContact CE1-CD2 3.49Å; H360-L385 WeakPolarHBondContact CE1-CD2 3.29Å; H360-L388 HydrophobicContact CB-CD2 3.83Å |
| 361 | F | 93.1 | Very high | 90.4 | Very high | 131 Ų | 131 | 68.9 Ų | 68.9 | 58% | 0.575 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.8 | -46.9 | 175.7 | 174.6 | -94.5 | 0 | 0 | 0 | 111.6 | E357 I363 R364 Q365 | E357-F361 WeakPolarHBondContact O-CB 3.49Å; E357-F361 PolarHBondContact O-N 2.99Å; F361-I363 PolarHBondContact O-N 3.46Å; F361-R364 PolarHBondContact O-N 3.5Å; F361-Q365 WeakPolarHBondContact O-CB 3.49Å; F361-Q365 PolarHBondContact O-N 3.37Å |
| 362 | L | 92.3 | Very high | 89.8 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 179.8 | -72.8 | 171.1 | 0 | 0 | 0 | 112.8 | R255 Q358 L359 Q365 E366 | R255-L362 VanDerWaalsContact NH1-CD1 3.32Å; Q358-L362 VanDerWaalsContact O-CG 3.26Å; Q358-L362 WeakPolarHBondContact O-CG 3.31Å; Q358-L362 PolarHBondContact O-N 3.1Å; L359-L362 PolarHBondContact O-N 3.03Å; L362-Q365 PolarHBondContact O-N 3.49Å; L362-E366 WeakPolarHBondContact O-CB 3.1Å; L362-E366 PolarHBondContact O-N 2.91Å |
| 363 | I | 89.8 | Confident | 89.3 | Confident | 10 Ų | 10 | 84.5 Ų | 84.5 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 177 | -69.5 | 171.5 | 0 | 0 | 0 | 110.5 | L359 H360 F361 Q365 E366 V367 A384 L385 L388 | L359-I363 HydrophobicContact CD1-CD1 4.41Å; L359-I363 HydrophobicContact CG-CD1 4.18Å; L359-I363 WeakPolarHBondContact O-CG1 3.49Å; L359-I363 PolarHBondContact O-N 3.31Å; H360-I363 PolarHBondContact O-N 3.04Å; F361-I363 PolarHBondContact O-N 3.46Å; I363-Q365 PolarHBondContact O-N 3.03Å; I363-E366 PolarHBondContact O-N 3.21Å; I363-V367 WeakPolarHBondContact O-CB 3.4Å; I363-V367 WeakPolarHBondContact O-CG2 3.28Å; I363-V367 PolarHBondContact O-N 3.06Å; I363-A384 HydrophobicContact CG2-CB 3.9Å; I363-L385 HydrophobicContact CB-CD2 4.28Å; I363-L385 HydrophobicContact CG2-CD2 3.64Å; I363-L385 HydrophobicContact CG2-CG 4.15Å; I363-L388 HydrophobicContact CD1-CB 4.13Å; I363-L388 HydrophobicContact CD1-CD2 4.19Å |
| 364 | R | 90.2 | Very high | 88.7 | Confident | 147 Ų | 147 | 87.7 Ų | 87.7 | 56% | 0.555 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -55.9 | -48.9 | 171 | -83.5 | -174.7 | 177.6 | 149 | 9.2 | 111.3 | H360 F361 E366 V367 T368 L385 | H360-R364 PolarHBondContact CE1-NE 3.48Å; H360-R364 PolarHBondContact CE1-NH2 3.43Å; H360-R364 VanDerWaalsContact CE1-NH2 3.31Å; H360-R364 PolarHBondContact NE2-NH2 3.25Å; H360-R364 WeakPolarHBondContact O-CB 3.34Å; H360-R364 PolarHBondContact O-N 2.97Å; F361-R364 PolarHBondContact O-N 3.5Å; R364-E366 VanDerWaalsContact C-N 3.33Å; R364-E366 PolarHBondContact O-N 2.9Å; R364-V367 WeakPolarHBondContact O-CB 3.35Å; R364-V367 PolarHBondContact O-N 3.44Å; R364-T368 PolarHBondContact O-N 2.82Å; R364-T368 PolarHBondContact O-OG1 3.23Å; R364-T368 VanDerWaalsContact O-OG1 3.08Å; R364-L385 HydrophobicContact CG-CD1 4.43Å; R364-L385 HydrophobicContact CG-CD2 4.2Å |
| 365 | Q | 89.6 | Confident | 87.9 | Confident | 111 Ų | 111 | 84.7 Ų | 84.7 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 179.2 | -173.4 | 178.4 | 51 | 0 | 0 | 112.5 | F361 L362 I363 R369 | F361-Q365 WeakPolarHBondContact O-CB 3.49Å; F361-Q365 PolarHBondContact O-N 3.37Å; L362-Q365 PolarHBondContact O-N 3.49Å; I363-Q365 PolarHBondContact O-N 3.03Å; Q365-R369 WeakPolarHBondContact O-CB 3.46Å; Q365-R369 PolarHBondContact O-N 3.32Å; Q365-R369 VanDerWaalsContact O-N 3.08Å |
| 366 | E | 87.3 | Confident | 86.8 | Confident | 63 Ų | 63 | 86.8 Ų | 86.8 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.1 | -176.6 | 167.7 | -177.7 | 0 | 0 | 111.8 | K326 L362 I363 R364 R370 | K326-E366 IonicContact NZ-OE2 3.75Å; L362-E366 WeakPolarHBondContact O-CB 3.1Å; L362-E366 PolarHBondContact O-N 2.91Å; I363-E366 PolarHBondContact O-N 3.21Å; R364-E366 VanDerWaalsContact C-N 3.33Å; R364-E366 PolarHBondContact O-N 2.9Å; E366-R370 VanDerWaalsContact O-CG 3.27Å; E366-R370 WeakPolarHBondContact O-CG 3.39Å; E366-R370 PolarHBondContact O-N 3.49Å; E366-R370 VanDerWaalsContact O-N 3.09Å; E366-R370 IonicContact OE1-CZ 3.49Å; E366-R370 IonicContact OE1-NE 2.94Å; E366-R370 PolarHBondContact OE1-NE 3.13Å; E366-R370 IonicContact OE1-NH2 2.68Å; E366-R370 PolarHBondContact OE1-NH2 2.88Å |
| 367 | V | 85.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 90.5 Ų | 90.5 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.8 | -53.5 | 173.7 | 162.2 | 0 | 0 | 0 | 0 | 111.4 | I363 R364 R369 R370 Q371 D381 | I363-V367 WeakPolarHBondContact O-CB 3.4Å; I363-V367 WeakPolarHBondContact O-CG2 3.28Å; I363-V367 PolarHBondContact O-N 3.06Å; R364-V367 WeakPolarHBondContact O-CB 3.35Å; R364-V367 PolarHBondContact O-N 3.44Å; V367-R369 VanDerWaalsContact C-N 3.3Å; V367-R369 PolarHBondContact O-N 3.17Å; V367-R370 WeakPolarHBondContact O-CA 3.4Å; V367-R370 WeakPolarHBondContact O-CB 3.45Å; V367-R370 PolarHBondContact O-N 2.82Å; V367-Q371 HydrophobicContact CG1-CG 4.48Å; V367-Q371 WeakPolarHBondContact O-CG 3.45Å; V367-Q371 PolarHBondContact O-N 3.25Å; V367-D381 HydrophobicContact CG1-CB 3.79Å; V367-D381 HydrophobicContact CG2-CB 4.45Å; V367-D381 WeakPolarHBondContact CG2-O 3.34Å |
| 368 | T | 87.1 | Confident | 84.4 | Confident | 65 Ų | 65 | 88 Ų | 88 | 40% | 0.399 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -55.9 | -44.9 | 178.8 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | R364 R370 Q371 E372 | R364-T368 PolarHBondContact O-N 2.82Å; R364-T368 PolarHBondContact O-OG1 3.23Å; R364-T368 VanDerWaalsContact O-OG1 3.08Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 2.99Å; T368-Q371 WeakPolarHBondContact O-CB 3.48Å; T368-Q371 PolarHBondContact O-N 2.67Å; T368-Q371 VanDerWaalsContact O-N 3.13Å; T368-E372 HydrophobicContact CG2-CG 4.42Å; T368-E372 WeakPolarHBondContact O-CG 3.39Å; T368-E372 PolarHBondContact O-N 2.85Å |
| 369 | R | 86.3 | Confident | 83.1 | Confident | 132 Ų | 132 | 90 Ų | 90 | 50% | 0.498 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -30.1 | 177.2 | -168.8 | -167.8 | 64.8 | 78.9 | 2 | 113.3 | Q365 V367 K373 | Q365-R369 WeakPolarHBondContact O-CB 3.46Å; Q365-R369 PolarHBondContact O-N 3.32Å; Q365-R369 VanDerWaalsContact O-N 3.08Å; V367-R369 VanDerWaalsContact C-N 3.3Å; V367-R369 PolarHBondContact O-N 3.17Å; R369-K373 WeakPolarHBondContact O-CB 3.34Å; R369-K373 PolarHBondContact O-N 3.39Å |
| 370 | R | 81.7 | Confident | 81.9 | Confident | 120 Ų | 120 | 91.3 Ų | 91.3 | 45% | 0.453 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.3 | -41 | 172.8 | -73 | 168.5 | -177.2 | -155.5 | 3.6 | 110.6 | E366 V367 T368 K373 R374 | E366-R370 VanDerWaalsContact O-CG 3.27Å; E366-R370 WeakPolarHBondContact O-CG 3.39Å; E366-R370 PolarHBondContact O-N 3.49Å; E366-R370 VanDerWaalsContact O-N 3.09Å; E366-R370 IonicContact OE1-CZ 3.49Å; E366-R370 IonicContact OE1-NE 2.94Å; E366-R370 PolarHBondContact OE1-NE 3.13Å; E366-R370 IonicContact OE1-NH2 2.68Å; E366-R370 PolarHBondContact OE1-NH2 2.88Å; V367-R370 WeakPolarHBondContact O-CA 3.4Å; V367-R370 WeakPolarHBondContact O-CB 3.45Å; V367-R370 PolarHBondContact O-N 2.82Å; T368-R370 VanDerWaalsContact C-N 3.3Å; T368-R370 PolarHBondContact O-N 2.99Å; R370-K373 PolarHBondContact O-N 3.39Å; R370-R374 VanDerWaalsContact O-CB 3.31Å; R370-R374 WeakPolarHBondContact O-CB 3.46Å; R370-R374 PolarHBondContact O-N 3.18Å |
| 371 | Q | 83.4 | Confident | 80.8 | Confident | 44 Ų | 44 | 90 Ų | 90 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.6 | -50.2 | 176.7 | -69.6 | 168.5 | -12.4 | 0 | 0 | 111.6 | V367 T368 K373 R374 G375 F377 D381 | V367-Q371 HydrophobicContact CG1-CG 4.48Å; V367-Q371 WeakPolarHBondContact O-CG 3.45Å; V367-Q371 PolarHBondContact O-N 3.25Å; T368-Q371 WeakPolarHBondContact O-CB 3.48Å; T368-Q371 PolarHBondContact O-N 2.67Å; T368-Q371 VanDerWaalsContact O-N 3.13Å; Q371-K373 VanDerWaalsContact C-N 3.31Å; Q371-K373 PolarHBondContact O-N 3.34Å; Q371-R374 CarbonylContact O-C 3.41Å; Q371-R374 PolarHBondContact O-N 2.81Å; Q371-G375 PolarHBondContact O-N 3.49Å; Q371-F377 VanDerWaalsContact NE2-CD2 3.29Å; Q371-D381 VanDerWaalsContact CG-OD2 3.23Å; Q371-D381 WeakPolarHBondContact CG-OD2 3.47Å; Q371-D381 PolarHBondContact NE2-OD2 3.44Å |
| 372 | E | 85.1 | Confident | 80.1 | Confident | 147 Ų | 147 | 89 Ų | 89 | 69% | 0.687 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -52.8 | -45.9 | 174.2 | -73.5 | 171 | 172.8 | 0 | 0 | 112.3 | T368 R374 | T368-E372 HydrophobicContact CG2-CG 4.42Å; T368-E372 WeakPolarHBondContact O-CG 3.39Å; T368-E372 PolarHBondContact O-N 2.85Å; E372-R374 PolarHBondContact O-N 3.36Å |
| 373 | K | 83.6 | Confident | 79.6 | Confident | 182 Ų | 182 | 86.1 Ų | 86.1 | 79% | 0.791 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.5 | -19.8 | 179.8 | -172.1 | 176.8 | 177.1 | -170 | 0 | 113 | R369 R370 Q371 | R369-K373 WeakPolarHBondContact O-CB 3.34Å; R369-K373 PolarHBondContact O-N 3.39Å; R370-K373 PolarHBondContact O-N 3.39Å; Q371-K373 VanDerWaalsContact C-N 3.31Å; Q371-K373 PolarHBondContact O-N 3.34Å |
| 374 | R | 77.7 | Confident | 79.2 | Confident | 138 Ų | 138 | 87.3 Ų | 87.3 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -115.8 | -13.9 | -170.7 | -169.6 | 164.4 | 171.7 | -105.3 | -19.1 | 114.4 | R370 Q371 E372 S376 K378 | R370-R374 VanDerWaalsContact O-CB 3.31Å; R370-R374 WeakPolarHBondContact O-CB 3.46Å; R370-R374 PolarHBondContact O-N 3.18Å; Q371-R374 CarbonylContact O-C 3.41Å; Q371-R374 PolarHBondContact O-N 2.81Å; E372-R374 PolarHBondContact O-N 3.36Å; R374-S376 PolarHBondContact O-N 3.37Å; R374-S376 PolarHBondContact O-OG 3.23Å; R374-K378 VanDerWaalsContact NH1-CG 3.31Å |
| 375 | G | 74.4 | Confident | 79.1 | Confident | 74 Ų | 74 | 81.8 Ų | 81.8 | 76% | 0.763 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 15.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q371 | Q371-G375 PolarHBondContact O-N 3.49Š|
| 376 | S | 70.6 | Confident | 79.1 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 37% | 0.371 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -150.5 | 137.8 | -178.7 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | R374 | R374-S376 PolarHBondContact O-N 3.37Å; R374-S376 PolarHBondContact O-OG 3.23Å |
| 377 | F | 67.8 | Low | 79.2 | Confident | 134 Ų | 134 | 78.9 Ų | 78.9 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | trans | -70.3 | 140.8 | 169.6 | -174.1 | -95.2 | 0 | 0 | 0 | 109.8 | Q371 K382 | Q371-F377 VanDerWaalsContact NE2-CD2 3.29Å; F377-K382 HydrophobicContact CZ-CG 4.2Å | ||
| 378 | K | 68 | Low | 79.5 | Confident | 72 Ų | 72 | 78.3 Ų | 78.3 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | trans | -127.1 | 144.6 | 168.2 | -116.9 | -160.9 | -173.4 | 178.5 | 0 | 110.3 | R374 T380 D381 | R374-K378 VanDerWaalsContact NH1-CG 3.31Å; K378-T380 VanDerWaalsContact CD-OG1 3.32Å; K378-T380 WeakPolarHBondContact CD-OG1 3.29Å; K378-T380 PolarHBondContact O-N 2.95Å; K378-D381 PolarHBondContact N-OD2 3.03Å; K378-D381 WeakPolarHBondContact O-CB 3.43Å; K378-D381 PolarHBondContact O-N 3.39Å | ||
| 379 | E | 66.4 | Low | 79.8 | Confident | 133 Ų | 133 | 80.3 Ų | 80.3 | 62% | 0.621 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -32.3 | 173.2 | -171.2 | 157.5 | -136.6 | 0 | 0 | 112.7 | D381 K382 | E379-D381 PolarHBondContact O-N 3.3Å; E379-D381 VanDerWaalsContact O-N 3.11Å; E379-K382 WeakPolarHBondContact O-CB 3.25Å; E379-K382 PolarHBondContact O-N 3.31Å |
| 380 | T | 66.6 | Low | 80.2 | Confident | 31 Ų | 31 | 75 Ų | 75 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.5 | -12.1 | 173.5 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | Q153 W154 K378 K382 A383 | Q153-T380 HydrophobicContact CB-CG2 3.92Å; W154-T380 HydrophobicContact CZ2-CG2 4.09Å; K378-T380 VanDerWaalsContact CD-OG1 3.32Å; K378-T380 WeakPolarHBondContact CD-OG1 3.29Å; K378-T380 PolarHBondContact O-N 2.95Å; T380-K382 VanDerWaalsContact C-N 3.3Å; T380-A383 WeakPolarHBondContact O-CB 3.48Å |
| 381 | D | 70.4 | Confident | 80.8 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 10% | 0.096 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.9 | -25.3 | 170.7 | -64.4 | -32.7 | 0 | 0 | 0 | 111.7 | V367 Q371 K378 E379 | V367-D381 HydrophobicContact CG1-CB 3.79Å; V367-D381 HydrophobicContact CG2-CB 4.45Å; V367-D381 WeakPolarHBondContact CG2-O 3.34Å; Q371-D381 VanDerWaalsContact CG-OD2 3.23Å; Q371-D381 WeakPolarHBondContact CG-OD2 3.47Å; Q371-D381 PolarHBondContact NE2-OD2 3.44Å; K378-D381 PolarHBondContact N-OD2 3.03Å; K378-D381 WeakPolarHBondContact O-CB 3.43Å; K378-D381 PolarHBondContact O-N 3.39Å; E379-D381 PolarHBondContact O-N 3.3Å; E379-D381 VanDerWaalsContact O-N 3.11Å |
| 382 | K | 78.9 | Confident | 81.4 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 48% | 0.478 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.9 | -30.8 | 173.7 | -61.4 | -177.8 | 178.9 | 176.7 | 0 | 112.1 | F377 E379 T380 A384 L385 T386 | F377-K382 HydrophobicContact CZ-CG 4.2Å; E379-K382 WeakPolarHBondContact O-CB 3.25Å; E379-K382 PolarHBondContact O-N 3.31Å; T380-K382 VanDerWaalsContact C-N 3.3Å; K382-A384 VanDerWaalsContact C-N 3.27Å; K382-A384 PolarHBondContact O-N 3.19Å; K382-A384 VanDerWaalsContact O-N 3.17Å; K382-L385 WeakPolarHBondContact O-CA 3.38Å; K382-L385 WeakPolarHBondContact O-CB 3.15Å; K382-L385 PolarHBondContact O-N 3.35Å; K382-T386 PolarHBondContact O-N 3.12Å; K382-T386 PolarHBondContact O-OG1 2.84Å |
| 383 | A | 80.7 | Confident | 81.9 | Confident | 9 Ų | 9 | 65 Ų | 65 | 7% | 0.074 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -50.4 | -44.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W154 T380 L385 T386 D387 | W154-A383 HydrophobicContact CD2-CB 4.5Å; W154-A383 HydrophobicContact CE3-CB 3.5Å; W154-A383 VanDerWaalsContact CE3-CB 3.5Å; W154-A383 HydrophobicContact CZ3-CB 3.6Å; T380-A383 WeakPolarHBondContact O-CB 3.48Å; A383-L385 VanDerWaalsContact C-N 3.26Å; A383-L385 PolarHBondContact O-N 2.65Å; A383-T386 PolarHBondContact O-N 3.07Å; A383-D387 WeakPolarHBondContact O-CB 3.12Å; A383-D387 PolarHBondContact O-N 3.21Å |
| 384 | A | 82.8 | Confident | 82.6 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68 | -22 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I363 K382 | I363-A384 HydrophobicContact CG2-CB 3.9Å; K382-A384 VanDerWaalsContact C-N 3.27Å; K382-A384 PolarHBondContact O-N 3.19Å; K382-A384 VanDerWaalsContact O-N 3.17Å |
| 385 | L | 87.7 | Confident | 83.4 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -83.2 | -44.3 | 172.2 | -68.8 | 173.4 | 0 | 0 | 0 | 110.7 | H360 I363 R364 K382 A383 D387 L388 E389 | H360-L385 VanDerWaalsContact CE1-CD2 3.49Å; H360-L385 WeakPolarHBondContact CE1-CD2 3.29Å; I363-L385 HydrophobicContact CB-CD2 4.28Å; I363-L385 HydrophobicContact CG2-CD2 3.64Å; I363-L385 HydrophobicContact CG2-CG 4.15Å; R364-L385 HydrophobicContact CG-CD1 4.43Å; R364-L385 HydrophobicContact CG-CD2 4.2Å; K382-L385 WeakPolarHBondContact O-CA 3.38Å; K382-L385 WeakPolarHBondContact O-CB 3.15Å; K382-L385 PolarHBondContact O-N 3.35Å; A383-L385 VanDerWaalsContact C-N 3.26Å; A383-L385 PolarHBondContact O-N 2.65Å; L385-D387 VanDerWaalsContact C-N 3.26Å; L385-D387 PolarHBondContact O-N 2.74Å; L385-L388 WeakPolarHBondContact O-CA 3.47Å; L385-L388 WeakPolarHBondContact O-CB 3.35Å; L385-L388 PolarHBondContact O-N 3.04Å; L385-E389 WeakPolarHBondContact O-CG 3.32Å; L385-E389 PolarHBondContact O-N 3.09Å |
| 386 | T | 89.8 | Confident | 84.4 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -36.7 | 174.1 | -53 | 0 | 0 | 0 | 0 | 112.3 | K382 A383 E389 A390 | K382-T386 PolarHBondContact O-N 3.12Å; K382-T386 PolarHBondContact O-OG1 2.84Å; A383-T386 PolarHBondContact O-N 3.07Å; T386-E389 PolarHBondContact O-N 3.1Å; T386-A390 PolarHBondContact O-N 2.87Å |
| 387 | D | 88.3 | Confident | 85.5 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 17% | 0.171 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 172.2 | -97.8 | 4.7 | 0 | 0 | 0 | 113.1 | S327 A383 L385 M391 | S327-D387 WeakPolarHBondContact CA-O 3.34Å; A383-D387 WeakPolarHBondContact O-CB 3.12Å; A383-D387 PolarHBondContact O-N 3.21Å; L385-D387 VanDerWaalsContact C-N 3.26Å; L385-D387 PolarHBondContact O-N 2.74Å; D387-M391 PolarHBondContact O-N 3.18Å |
| 388 | L | 92.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.2 | -43.8 | 174.4 | 175.9 | 67.5 | 0 | 0 | 0 | 110.3 | L324 L359 H360 I363 L385 A390 M391 V392 | L324-L388 HydrophobicContact CD2-CD1 4.21Å; L359-L388 HydrophobicContact CB-CD1 4.41Å; L359-L388 HydrophobicContact CD2-CD1 3.64Å; L359-L388 HydrophobicContact CG-CD1 3.92Å; H360-L388 HydrophobicContact CB-CD2 3.83Å; I363-L388 HydrophobicContact CD1-CB 4.13Å; I363-L388 HydrophobicContact CD1-CD2 4.19Å; L385-L388 WeakPolarHBondContact O-CA 3.47Å; L385-L388 WeakPolarHBondContact O-CB 3.35Å; L385-L388 PolarHBondContact O-N 3.04Å; L388-A390 VanDerWaalsContact C-N 3.28Å; L388-A390 PolarHBondContact O-N 3.37Å; L388-M391 CarbonylContact O-C 3.6Å; L388-M391 PolarHBondContact O-N 2.89Å; L388-V392 HydrophobicContact CD1-CG2 4.32Å; L388-V392 HydrophobicContact CG-CG2 4.29Å; L388-V392 WeakPolarHBondContact O-CG2 3.39Å; L388-V392 PolarHBondContact O-N 3.44Å |
| 389 | E | 93.9 | Very high | 88 | Confident | 107 Ų | 107 | 44.9 Ų | 44.9 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 177 | -72.3 | 161.2 | -173.8 | 0 | 0 | 111.1 | L385 T386 V392 F393 | L385-E389 WeakPolarHBondContact O-CG 3.32Å; L385-E389 PolarHBondContact O-N 3.09Å; T386-E389 PolarHBondContact O-N 3.1Å; E389-V392 PolarHBondContact O-N 3.32Å; E389-F393 VanDerWaalsContact O-CB 3.26Å; E389-F393 WeakPolarHBondContact O-CB 3.31Å; E389-F393 PolarHBondContact O-N 2.96Å |
| 390 | A | 94.3 | Very high | 89.5 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L328 T386 L388 F393 F394 F408 | L328-A390 HydrophobicContact CB-CB 4.29Å; L328-A390 HydrophobicContact CD2-CB 4.49Å; T386-A390 PolarHBondContact O-N 2.87Å; L388-A390 VanDerWaalsContact C-N 3.28Å; L388-A390 PolarHBondContact O-N 3.37Å; A390-F393 PolarHBondContact O-N 3.17Å; A390-F394 PolarHBondContact O-N 3.37Å; A390-F408 HydrophobicContact CB-CD2 3.97Å; A390-F408 HydrophobicContact CB-CE2 3.87Å |
| 391 | M | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.7 | -34.7 | 176.1 | -172.4 | 59.4 | -154.2 | 0 | 0 | 112.7 | L324 L328 F331 T349 D387 L388 F394 C395 | L324-M391 HydrophobicContact CD1-CE 3.68Å; L324-M391 HydrophobicContact CD1-CG 3.74Å; L324-M391 HydrophobicContact CG-CG 3.99Å; L328-M391 HydrophobicContact CB-CB 4.46Å; L328-M391 HydrophobicContact CB-SD 4.4Å; L328-M391 HydrophobicContact CD1-SD 3.86Å; F331-M391 HydrophobicContact CB-CE 3.88Å; F331-M391 HydrophobicContact CB-SD 3.52Å; F331-M391 VanDerWaalsContact CB-SD 3.52Å; F331-M391 HydrophobicContact CD1-CE 3.89Å; F331-M391 HydrophobicContact CD1-SD 4.08Å; F331-M391 HydrophobicContact CD2-CE 3.77Å; F331-M391 HydrophobicContact CE1-CE 4.38Å; F331-M391 HydrophobicContact CE2-CE 4.29Å; F331-M391 HydrophobicContact CG-CE 3.55Å; F331-M391 HydrophobicContact CG-SD 3.81Å; T349-M391 HydrophobicContact CG2-CE 4.36Å; D387-M391 PolarHBondContact O-N 3.18Å; L388-M391 CarbonylContact O-C 3.6Å; L388-M391 PolarHBondContact O-N 2.89Å; M391-F394 HydrophobicContact CE-CD1 3.93Å; M391-F394 HydrophobicContact CE-CE1 4.43Å; M391-F394 HydrophobicContact SD-CD1 4.43Å; M391-C395 PolarHBondContact O-N 3.49Å; M391-C395 PolarHBondContact O-SG 2.84Å |
| 392 | V | 95.6 | Very high | 92.1 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -46.1 | 173.1 | 166.9 | 0 | 0 | 0 | 0 | 110.2 | L324 K356 L388 E389 F394 C395 E396 | L324-V392 HydrophobicContact CD2-CG2 3.94Å; K356-V392 HydrophobicContact CB-CG2 4.49Å; K356-V392 HydrophobicContact CD-CB 4.49Å; K356-V392 HydrophobicContact CD-CG1 3.77Å; K356-V392 HydrophobicContact CD-CG2 3.8Å; K356-V392 HydrophobicContact CG-CG2 3.92Å; K356-V392 VanDerWaalsContact NZ-CG1 3.34Å; L388-V392 HydrophobicContact CD1-CG2 4.32Å; L388-V392 HydrophobicContact CG-CG2 4.29Å; L388-V392 WeakPolarHBondContact O-CG2 3.39Å; L388-V392 PolarHBondContact O-N 3.44Å; E389-V392 PolarHBondContact O-N 3.32Å; V392-F394 VanDerWaalsContact C-N 3.31Å; V392-F394 PolarHBondContact O-N 3.32Å; V392-C395 WeakPolarHBondContact O-CA 3.38Å; V392-C395 WeakPolarHBondContact O-CB 3.14Å; V392-C395 PolarHBondContact O-N 2.85Å; V392-E396 HydrophobicContact CG1-CG 4.39Å; V392-E396 WeakPolarHBondContact CG1-OE2 3.46Å; V392-E396 PolarHBondContact O-N 3.4Å |
| 393 | F | 96.1 | Very high | 92.9 | Very high | 91 Ų | 91 | 33.5 Ų | 33.5 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.5 | -41 | 174.5 | -179.7 | -99.6 | 0 | 0 | 0 | 111.5 | E389 A390 C395 E396 H397 N404 | E389-F393 VanDerWaalsContact O-CB 3.26Å; E389-F393 WeakPolarHBondContact O-CB 3.31Å; E389-F393 PolarHBondContact O-N 2.96Å; A390-F393 PolarHBondContact O-N 3.17Å; F393-C395 PolarHBondContact O-N 3.04Å; F393-E396 PolarHBondContact O-N 2.83Å; F393-H397 HydrophobicContact CD1-CB 4.27Å; F393-H397 HydrophobicContact CD2-CB 4.08Å; F393-H397 HydrophobicContact CE1-CB 4.01Å; F393-H397 AromaticContact CE1-CD2 3.73Å; F393-H397 AromaticContact CE1-CG 3.85Å; F393-H397 HydrophobicContact CE2-CB 3.82Å; F393-H397 AromaticContact CE2-CG 3.76Å; F393-H397 AromaticContact CE2-ND1 3.79Å; F393-H397 HydrophobicContact CG-CB 4.29Å; F393-H397 HydrophobicContact CZ-CB 3.78Å; F393-H397 AromaticContact CZ-CD2 3.53Å; F393-H397 AromaticContact CZ-CE1 3.86Å; F393-H397 AromaticContact CZ-CG 3.37Å; F393-H397 AromaticContact CZ-ND1 3.57Å; F393-H397 AromaticContact CZ-NE2 3.82Å; F393-H397 WeakPolarHBondContact O-CB 3.23Å; F393-H397 PolarHBondContact O-N 3.22Å; F393-N404 WeakPolarHBondContact CD1-ND2 3.34Å; F393-N404 VanDerWaalsContact CE1-ND2 3.34Å; F393-N404 WeakPolarHBondContact CE1-ND2 3.33Å |
| 394 | F | 96.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.8 | -34.1 | 172.2 | 174 | -91.5 | 0 | 0 | 0 | 113.7 | Y215 V217 L328 F331 A390 M391 V392 R401 N404 I405 | Y215-F394 HydrophobicContact CD1-CZ 4.36Å; V217-F394 HydrophobicContact CG2-CD1 4.3Å; V217-F394 HydrophobicContact CG2-CE1 3.78Å; V217-F394 HydrophobicContact CG2-CZ 4.47Å; L328-F394 HydrophobicContact CD1-CB 3.92Å; L328-F394 HydrophobicContact CD1-CD2 3.91Å; L328-F394 HydrophobicContact CD1-CG 3.85Å; L328-F394 HydrophobicContact CD2-CB 4.43Å; F331-F394 HydrophobicContact CD1-CE1 4.3Å; F331-F394 HydrophobicContact CE1-CD1 4.35Å; F331-F394 AromaticContact CE1-CE1 3.6Å; F331-F394 HydrophobicContact CE1-CE1 3.6Å; F331-F394 HydrophobicContact CE1-CE2 4.46Å; F331-F394 AromaticContact CE1-CZ 3.67Å; F331-F394 HydrophobicContact CE1-CZ 3.67Å; F331-F394 HydrophobicContact CZ-CE1 4.08Å; F331-F394 HydrophobicContact CZ-CZ 4.35Å; A390-F394 PolarHBondContact O-N 3.37Å; M391-F394 HydrophobicContact CE-CD1 3.93Å; M391-F394 HydrophobicContact CE-CE1 4.43Å; M391-F394 HydrophobicContact SD-CD1 4.43Å; V392-F394 VanDerWaalsContact C-N 3.31Å; V392-F394 PolarHBondContact O-N 3.32Å; F394-R401 HydrophobicContact CE2-CB 3.78Å; F394-R401 HydrophobicContact CE2-CG 4.43Å; F394-R401 HydrophobicContact CZ-CB 3.99Å; F394-R401 HydrophobicContact CZ-CG 4.31Å; F394-R401 PolarHBondContact O-NH1 2.8Å; F394-N404 HydrophobicContact CD2-CB 4.26Å; F394-I405 HydrophobicContact CD2-CG1 4.13Å; F394-I405 HydrophobicContact CE2-CD1 3.79Å; F394-I405 HydrophobicContact CE2-CG1 3.78Å; F394-I405 HydrophobicContact CZ-CD1 4.39Å |
| 395 | C | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -85.1 | -43.8 | 179.8 | -58 | 0 | 0 | 0 | 0 | 113.4 | V217 Y351 M391 V392 F393 | V217-C395 HydrophobicContact CG1-CB 4.06Å; Y351-C395 HydrophobicContact CD1-CB 4.38Å; Y351-C395 HydrophobicContact CD2-CB 3.66Å; Y351-C395 HydrophobicContact CE2-CB 4.14Å; Y351-C395 HydrophobicContact CG-CB 3.8Å; M391-C395 PolarHBondContact O-N 3.49Å; M391-C395 PolarHBondContact O-SG 2.84Å; V392-C395 WeakPolarHBondContact O-CA 3.38Å; V392-C395 WeakPolarHBondContact O-CB 3.14Å; V392-C395 PolarHBondContact O-N 2.85Å; F393-C395 PolarHBondContact O-N 3.04Å |
| 396 | E | 94.7 | Very high | 94.3 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 29% | 0.285 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -90.1 | -14.6 | -172.8 | -65.4 | -177.2 | 146.6 | 0 | 0 | 113.4 | Y351 K356 V392 F393 L433 | Y351-E396 HydrophobicContact CE1-CG 3.92Å; Y351-E396 PolarHBondContact OH-OE1 3.39Å; K356-E396 VanDerWaalsContact NZ-CD 3.34Å; K356-E396 IonicContact NZ-OE1 2.7Å; K356-E396 PolarHBondContact NZ-OE1 3.14Å; K356-E396 IonicContact NZ-OE2 3.19Å; K356-E396 PolarHBondContact NZ-OE2 3.2Å; V392-E396 HydrophobicContact CG1-CG 4.39Å; V392-E396 WeakPolarHBondContact CG1-OE2 3.46Å; V392-E396 PolarHBondContact O-N 3.4Å; F393-E396 PolarHBondContact O-N 2.83Å; E396-L433 WeakPolarHBondContact O-CD2 3.45Å |
| 397 | H | 93.8 | Very high | 94.5 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 36% | 0.356 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -77.4 | 134.9 | 177.3 | -175.9 | 51.1 | 0 | 0 | 0 | 112.2 | F393 G399 R401 | F393-H397 HydrophobicContact CD1-CB 4.27Å; F393-H397 HydrophobicContact CD2-CB 4.08Å; F393-H397 HydrophobicContact CE1-CB 4.01Å; F393-H397 AromaticContact CE1-CD2 3.73Å; F393-H397 AromaticContact CE1-CG 3.85Å; F393-H397 HydrophobicContact CE2-CB 3.82Å; F393-H397 AromaticContact CE2-CG 3.76Å; F393-H397 AromaticContact CE2-ND1 3.79Å; F393-H397 HydrophobicContact CG-CB 4.29Å; F393-H397 HydrophobicContact CZ-CB 3.78Å; F393-H397 AromaticContact CZ-CD2 3.53Å; F393-H397 AromaticContact CZ-CE1 3.86Å; F393-H397 AromaticContact CZ-CG 3.37Å; F393-H397 AromaticContact CZ-ND1 3.57Å; F393-H397 AromaticContact CZ-NE2 3.82Å; F393-H397 WeakPolarHBondContact O-CB 3.23Å; F393-H397 PolarHBondContact O-N 3.22Å; H397-G399 PolarHBondContact O-N 3.41Å; H397-R401 PolarHBondContact O-NH1 3.47Å; H397-R401 VanDerWaalsContact O-NH1 3.12Å |
| 398 | E | 93.8 | Very high | 94.7 | Very high | 80 Ų | 80 | 35.8 Ų | 35.8 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | trans | -78.5 | 105.2 | 165.3 | -171.9 | -162.8 | 137.7 | 0 | 0 | 109.9 | F422 R430 L433 | E398-F422 HydrophobicContact CG-CD2 4.1Å; E398-F422 HydrophobicContact CG-CE2 3.38Å; E398-F422 HydrophobicContact CG-CZ 4.04Å; E398-R430 HydrophobicContact CG-CG 4.16Å; E398-R430 IonicContact OE1-CZ 2.72Å; E398-R430 IonicContact OE1-NE 3.52Å; E398-R430 PolarHBondContact OE1-NE 3.43Å; E398-R430 IonicContact OE1-NH2 3.83Å; E398-R430 PolarHBondContact OE1-NH2 3.03Å; E398-R430 WeakPolarHBondContact OE2-CG 3.24Å; E398-R430 IonicContact OE2-NE 3.81Å; E398-R430 PolarHBondContact OE2-NE 3.37Å; E398-L433 HydrophobicContact CB-CD1 3.93Å; E398-L433 HydrophobicContact CG-CD1 4.48Å | ||
| 399 | G | 94.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 171.4 | 174.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | H397 R401 F422 | H397-G399 PolarHBondContact O-N 3.41Å; G399-R401 PolarHBondContact O-N 3.01Å; G399-F422 VanDerWaalsContact C-CG 3.48Å; G399-F422 VanDerWaalsContact O-CB 3.29Å; G399-F422 WeakPolarHBondContact O-CB 3.5Å; G399-F422 WeakPolarHBondContact O-CG 3.43Å |
| 400 | C | 96.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | trans | -60.6 | 123.9 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | H402 A403 N404 C416 C423 | C400-H402 VanDerWaalsContact C-N 3.34Å; C400-H402 PolarHBondContact O-N 3.39Å; C400-A403 HydrophobicContact CB-CB 3.77Å; C400-A403 PolarHBondContact O-N 2.93Å; C400-A403 PolarHBondContact SG-N 2.96Å; C400-A403 VanDerWaalsContact SG-N 3.4Å; C400-N404 PolarHBondContact O-N 2.93Å; C400-N404 VanDerWaalsContact O-N 3.1Å; C400-C416 VanDerWaalsContact SG-CB 3.58Å; C400-C423 VanDerWaalsContact SG-SG 3.63Å | ||
| 401 | R | 96.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | -179.1 | -55 | -56.1 | -179.9 | -164.4 | -6.9 | 112 | F394 H397 G399 N404 I405 C420 D421 | F394-R401 HydrophobicContact CE2-CB 3.78Å; F394-R401 HydrophobicContact CE2-CG 4.43Å; F394-R401 HydrophobicContact CZ-CB 3.99Å; F394-R401 HydrophobicContact CZ-CG 4.31Å; F394-R401 PolarHBondContact O-NH1 2.8Å; H397-R401 PolarHBondContact O-NH1 3.47Å; H397-R401 VanDerWaalsContact O-NH1 3.12Å; G399-R401 PolarHBondContact O-N 3.01Å; R401-N404 PolarHBondContact O-N 2.9Å; R401-I405 WeakPolarHBondContact O-CG1 3.36Å; R401-I405 PolarHBondContact O-N 2.84Å; R401-I405 VanDerWaalsContact O-N 3.11Å; R401-C420 HydrophobicContact CB-CB 3.85Å; R401-C420 HydrophobicContact CG-CB 3.81Å; R401-D421 WeakPolarHBondContact CG-OD1 3.3Å; R401-D421 IonicContact CZ-OD1 3.36Å; R401-D421 IonicContact CZ-OD2 2.7Å; R401-D421 IonicContact NE-OD1 2.73Å; R401-D421 PolarHBondContact NE-OD1 2.78Å; R401-D421 IonicContact NE-OD2 3.18Å; R401-D421 PolarHBondContact NE-OD2 2.96Å; R401-D421 VanDerWaalsContact NE-OD2 3.15Å; R401-D421 IonicContact NH2-OD1 3.15Å; R401-D421 IonicContact NH2-OD2 2.71Å; R401-D421 PolarHBondContact NH2-OD2 3.24Å |
| 402 | H | 95.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 176.1 | -74 | 119.5 | 0 | 0 | 0 | 112.8 | F209 L213 Y215 C400 N404 I405 S406 P414 C416 A419 | F209-H402 HydrophobicContact CD2-CB 4.03Å; F209-H402 AromaticContact CD2-CD2 3.63Å; F209-H402 AromaticContact CD2-CG 3.75Å; F209-H402 HydrophobicContact CE2-CB 4.23Å; F209-H402 AromaticContact CE2-CD2 3.91Å; F209-H402 AromaticContact CE2-CE1 3.94Å; F209-H402 AromaticContact CE2-CG 3.76Å; F209-H402 AromaticContact CE2-ND1 3.8Å; L213-H402 PolarHBondContact O-CE1 3.49Å; L213-H402 PolarHBondContact O-NE2 3.45Å; Y215-H402 AromaticContact CD2-CD2 3.97Å; Y215-H402 AromaticContact CD2-CE1 3.75Å; Y215-H402 AromaticContact CD2-NE2 3.31Å; Y215-H402 VanDerWaalsContact CD2-NE2 3.31Å; Y215-H402 WeakPolarHBondContact CD2-NE2 3.28Å; Y215-H402 AromaticContact CE2-NE2 3.51Å; C400-H402 VanDerWaalsContact C-N 3.34Å; C400-H402 PolarHBondContact O-N 3.39Å; H402-N404 VanDerWaalsContact C-N 3.31Å; H402-N404 PolarHBondContact O-N 3.35Å; H402-I405 PolarHBondContact O-N 2.93Å; H402-S406 WeakPolarHBondContact O-CB 3.29Å; H402-S406 PolarHBondContact O-N 3.05Å; H402-S406 PolarHBondContact O-OG 3.27Å; H402-P414 HydrophobicContact CB-CG 3.86Å; H402-C416 PolarHBondContact ND1-SG 3.41Å; H402-A419 PolarHBondContact CE1-O 3.45Å |
| 403 | A | 95.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 47 Ų | 47 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C400 K407 T413 | C400-A403 HydrophobicContact CB-CB 3.77Å; C400-A403 PolarHBondContact O-N 2.93Å; C400-A403 PolarHBondContact SG-N 2.96Å; C400-A403 VanDerWaalsContact SG-N 3.4Å; A403-K407 VanDerWaalsContact O-CB 3.27Å; A403-K407 WeakPolarHBondContact O-CB 3.48Å; A403-K407 PolarHBondContact O-N 3.03Å; A403-T413 HydrophobicContact CB-CG2 3.88Å |
| 404 | N | 95.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 176.3 | -160.4 | -31.2 | 0 | 0 | 0 | 111.5 | F393 F394 C400 R401 H402 K407 F408 | F393-N404 WeakPolarHBondContact CD1-ND2 3.34Å; F393-N404 VanDerWaalsContact CE1-ND2 3.34Å; F393-N404 WeakPolarHBondContact CE1-ND2 3.33Å; F394-N404 HydrophobicContact CD2-CB 4.26Å; C400-N404 PolarHBondContact O-N 2.93Å; C400-N404 VanDerWaalsContact O-N 3.1Å; R401-N404 PolarHBondContact O-N 2.9Å; H402-N404 VanDerWaalsContact C-N 3.31Å; H402-N404 PolarHBondContact O-N 3.35Å; N404-K407 PolarHBondContact O-N 2.8Å; N404-F408 PolarHBondContact O-N 3.33Å |
| 405 | I | 94.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 174.8 | -66.7 | 167.2 | 0 | 0 | 0 | 111 | V208 Y215 L328 Y332 F394 R401 H402 K407 F408 F409 | V208-I405 HydrophobicContact CB-CG2 4.43Å; V208-I405 HydrophobicContact CG2-CG2 3.83Å; Y215-I405 HydrophobicContact CD1-CD1 4.34Å; Y215-I405 HydrophobicContact CE1-CD1 4.11Å; Y215-I405 HydrophobicContact CE2-CD1 4.4Å; L328-I405 HydrophobicContact CD1-CG1 4.39Å; Y332-I405 HydrophobicContact CD2-CG2 3.64Å; Y332-I405 HydrophobicContact CE2-CG2 4.06Å; Y332-I405 HydrophobicContact CG-CG2 4.47Å; F394-I405 HydrophobicContact CD2-CG1 4.13Å; F394-I405 HydrophobicContact CE2-CD1 3.79Å; F394-I405 HydrophobicContact CE2-CG1 3.78Å; F394-I405 HydrophobicContact CZ-CD1 4.39Å; R401-I405 WeakPolarHBondContact O-CG1 3.36Å; R401-I405 PolarHBondContact O-N 2.84Å; R401-I405 VanDerWaalsContact O-N 3.11Å; H402-I405 PolarHBondContact O-N 2.93Å; I405-K407 PolarHBondContact O-N 3.36Å; I405-F408 PolarHBondContact O-N 3.46Å; I405-F409 HydrophobicContact CG2-CD2 3.99Å; I405-F409 HydrophobicContact CG2-CE2 4.03Å; I405-F409 WeakPolarHBondContact O-CD2 3.45Å; I405-F409 PolarHBondContact O-N 3.3Å |
| 406 | S | 93 | Very high | 93 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 178.3 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | H402 F408 F409 G410 D411 P414 | H402-S406 WeakPolarHBondContact O-CB 3.29Å; H402-S406 PolarHBondContact O-N 3.05Å; H402-S406 PolarHBondContact O-OG 3.27Å; S406-F408 VanDerWaalsContact C-N 3.32Å; S406-F408 PolarHBondContact O-N 2.92Å; S406-F409 PolarHBondContact O-N 3Å; S406-G410 PolarHBondContact O-N 2.8Å; S406-D411 PolarHBondContact O-N 3.03Å; S406-P414 WeakPolarHBondContact OG-CD 3.37Å |
| 407 | K | 93.4 | Very high | 92.8 | Very high | 164 Ų | 164 | 55.2 Ų | 55.2 | 71% | 0.713 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.9 | -41.4 | 175.3 | -176.9 | 178.6 | 179.1 | -179.4 | 0 | 112.2 | A403 N404 I405 G410 | A403-K407 VanDerWaalsContact O-CB 3.27Å; A403-K407 WeakPolarHBondContact O-CB 3.48Å; A403-K407 PolarHBondContact O-N 3.03Å; N404-K407 PolarHBondContact O-N 2.8Å; I405-K407 PolarHBondContact O-N 3.36Å; K407-G410 PolarHBondContact O-N 3.47Å |
| 408 | F | 91.7 | Very high | 92.6 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 22% | 0.219 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 178.1 | 176.7 | -93.4 | 0 | 0 | 0 | 112.8 | P185 L328 A329 A390 N404 I405 S406 | P185-F408 HydrophobicContact CG-CD1 4.22Å; P185-F408 HydrophobicContact CG-CE1 3.63Å; P185-F408 HydrophobicContact CG-CZ 4.11Å; L328-F408 HydrophobicContact CB-CD2 4.41Å; L328-F408 HydrophobicContact CB-CE1 4.49Å; L328-F408 HydrophobicContact CB-CE2 4.37Å; L328-F408 HydrophobicContact CB-CG 4.48Å; L328-F408 HydrophobicContact CB-CZ 4.42Å; L328-F408 HydrophobicContact CD2-CB 3.7Å; L328-F408 HydrophobicContact CD2-CD1 4.28Å; L328-F408 HydrophobicContact CD2-CD2 3.95Å; L328-F408 HydrophobicContact CD2-CG 3.71Å; L328-F408 HydrophobicContact CG-CD1 4.33Å; L328-F408 HydrophobicContact CG-CG 4.24Å; A329-F408 HydrophobicContact CB-CE1 3.96Å; A329-F408 HydrophobicContact CB-CZ 4.33Å; A390-F408 HydrophobicContact CB-CD2 3.97Å; A390-F408 HydrophobicContact CB-CE2 3.87Å; N404-F408 PolarHBondContact O-N 3.33Å; I405-F408 PolarHBondContact O-N 3.46Å; S406-F408 VanDerWaalsContact C-N 3.32Å; S406-F408 PolarHBondContact O-N 2.92Å |
| 409 | F | 89.7 | Confident | 92.6 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.8 | -15.5 | 177.1 | -72.2 | -71.8 | 0 | 0 | 0 | 113.8 | T183 P185 V208 A329 Y332 I405 S406 | T183-F409 HydrophobicContact CG2-CE1 4.16Å; T183-F409 HydrophobicContact CG2-CZ 4.12Å; P185-F409 HydrophobicContact CB-CD1 4.46Å; P185-F409 HydrophobicContact CG-CD1 3.8Å; P185-F409 HydrophobicContact CG-CE1 3.98Å; V208-F409 HydrophobicContact CB-CD2 4.19Å; V208-F409 HydrophobicContact CG1-CB 3.9Å; V208-F409 HydrophobicContact CG1-CD1 4.46Å; V208-F409 HydrophobicContact CG1-CD2 3.69Å; V208-F409 HydrophobicContact CG1-CE2 4.33Å; V208-F409 HydrophobicContact CG1-CG 3.76Å; V208-F409 HydrophobicContact CG2-CB 4.43Å; V208-F409 HydrophobicContact CG2-CD2 4.04Å; A329-F409 HydrophobicContact CB-CZ 4.37Å; Y332-F409 HydrophobicContact CD1-CE2 4.2Å; Y332-F409 HydrophobicContact CD1-CZ 4.22Å; Y332-F409 HydrophobicContact CD2-CE2 4.39Å; Y332-F409 AromaticContact CG-CE2 3.94Å; Y332-F409 HydrophobicContact CG-CE2 3.94Å; Y332-F409 HydrophobicContact CG-CZ 4.28Å; I405-F409 HydrophobicContact CG2-CD2 3.99Å; I405-F409 HydrophobicContact CG2-CE2 4.03Å; I405-F409 WeakPolarHBondContact O-CD2 3.45Å; I405-F409 PolarHBondContact O-N 3.3Å; S406-F409 PolarHBondContact O-N 3Å |
| 410 | G | 88.8 | Confident | 92.7 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 16.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K186 S406 K407 | K186-G410 WeakPolarHBondContact CE-O 3.42Å; K186-G410 PolarHBondContact NZ-O 3.22Å; S406-G410 PolarHBondContact O-N 2.8Å; K407-G410 PolarHBondContact O-N 3.47Å |
| 411 | D | 89.2 | Confident | 92.7 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 162.8 | 177.7 | -75.1 | -4.7 | 0 | 0 | 0 | 112.1 | P207 V208 S406 | P207-D411 VanDerWaalsContact CA-OD2 3.29Å; P207-D411 WeakPolarHBondContact CA-OD2 3.29Å; V208-D411 WeakPolarHBondContact CG2-OD2 3.36Å; V208-D411 PolarHBondContact N-OD2 3.44Å; S406-D411 PolarHBondContact O-N 3.03Å |
| 412 | K | 90 | Very high | 92.7 | Very high | 195 Ų | 195 | 50.7 Ų | 50.7 | 85% | 0.848 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 147.7 | 169.8 | -64.3 | -178.6 | -179.2 | 178.4 | 0 | 110.3 | P414 | K412-P414 WeakPolarHBondContact O-CD 3.28Š|
| 413 | T | 91.1 | Very high | 92.6 | Very high | 114 Ų | 114 | 53.1 Ų | 53.1 | 70% | 0.699 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 122.6 | 175.1 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | A403 | A403-T413 HydrophobicContact CB-CG2 3.88Š|
| 414 | P | 91.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -85 | 152 | -176 | 32.7 | -34.4 | 0 | 0 | 0 | 112.6 | F209 H402 S406 K412 C416 | F209-P414 HydrophobicContact CB-CB 3.66Å; F209-P414 HydrophobicContact CB-CG 4.09Å; F209-P414 HydrophobicContact CD1-CB 3.77Å; F209-P414 HydrophobicContact CD2-CB 3.61Å; F209-P414 HydrophobicContact CD2-CG 3.76Å; F209-P414 HydrophobicContact CE1-CB 4.31Å; F209-P414 HydrophobicContact CE2-CB 4.18Å; F209-P414 HydrophobicContact CE2-CG 4.41Å; F209-P414 HydrophobicContact CG-CB 3.38Å; F209-P414 HydrophobicContact CG-CG 3.96Å; F209-P414 HydrophobicContact CZ-CB 4.49Å; H402-P414 HydrophobicContact CB-CG 3.86Å; S406-P414 WeakPolarHBondContact OG-CD 3.37Å; K412-P414 WeakPolarHBondContact O-CD 3.28Å; P414-C416 PolarHBondContact O-N 2.98Å |
| 415 | K | 92.7 | Very high | 92.6 | Very high | 188 Ų | 188 | 60.6 Ų | 60.6 | 82% | 0.817 | 33% | 0.333 | S | S | * | . | trans | -71.6 | 90.4 | 168.2 | -66.7 | 178.1 | -177.2 | 171.2 | 0 | 109.3 | F209 A417 | F209-K415 WeakPolarHBondContact CZ-O 3.41Å; K415-A417 VanDerWaalsContact C-N 3.3Å; K415-A417 PolarHBondContact O-N 3.42Å | ||
| 416 | C | 91.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | trans | -67.4 | -22.8 | -173.1 | -173.5 | 0 | 0 | 0 | 0 | 114.8 | C400 H402 P414 G418 A419 C420 | C400-C416 VanDerWaalsContact SG-CB 3.58Å; H402-C416 PolarHBondContact ND1-SG 3.41Å; P414-C416 PolarHBondContact O-N 2.98Å; C416-G418 VanDerWaalsContact C-N 3.27Å; C416-G418 PolarHBondContact O-N 3.07Å; C416-G418 VanDerWaalsContact O-N 3.07Å; C416-A419 VanDerWaalsContact O-CB 3.22Å; C416-A419 WeakPolarHBondContact O-CB 3.45Å; C416-A419 PolarHBondContact O-N 3.01Å; C416-C420 VanDerWaalsContact SG-SG 3.65Å | ||
| 417 | A | 91.3 | Very high | 92.8 | Very high | 107 Ų | 107 | 70.2 Ų | 70.2 | 88% | 0.884 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K415 A419 | K415-A417 VanDerWaalsContact C-N 3.3Å; K415-A417 PolarHBondContact O-N 3.42Å; A417-A419 VanDerWaalsContact C-N 3.31Å; A417-A419 PolarHBondContact O-N 3.21Å |
| 418 | G | 89.8 | Confident | 92.8 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -1.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | C416 C420 | C416-G418 VanDerWaalsContact C-N 3.27Å; C416-G418 PolarHBondContact O-N 3.07Å; C416-G418 VanDerWaalsContact O-N 3.07Å; G418-C420 PolarHBondContact O-N 3Å |
| 419 | A | 93.4 | Very high | 92.9 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 13% | 0.132 | 36% | 0.36 | C | S | . | . | trans | -71.7 | 24.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H214 Y215 H402 C416 A417 | H214-A419 WeakPolarHBondContact CA-O 3.37Å; Y215-A419 PolarHBondContact N-O 2.91Å; H402-A419 PolarHBondContact CE1-O 3.45Å; C416-A419 VanDerWaalsContact O-CB 3.22Å; C416-A419 WeakPolarHBondContact O-CB 3.45Å; C416-A419 PolarHBondContact O-N 3.01Å; A417-A419 VanDerWaalsContact C-N 3.31Å; A417-A419 PolarHBondContact O-N 3.21Å | ||
| 420 | C | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -153.7 | 159.3 | 165.3 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | Y215 R401 C416 G418 F422 C423 L424 | Y215-C420 CarbonylContact O-C 3.53Å; Y215-C420 WeakPolarHBondContact O-CA 3.3Å; Y215-C420 VanDerWaalsContact O-CB 3.28Å; Y215-C420 WeakPolarHBondContact O-CB 3.11Å; R401-C420 HydrophobicContact CB-CB 3.85Å; R401-C420 HydrophobicContact CG-CB 3.81Å; C416-C420 VanDerWaalsContact SG-SG 3.65Å; G418-C420 PolarHBondContact O-N 3Å; C420-F422 VanDerWaalsContact C-N 3.28Å; C420-F422 PolarHBondContact O-N 3.11Å; C420-C423 PolarHBondContact O-N 3.32Å; C420-C423 VanDerWaalsContact SG-SG 3.64Å; C420-L424 WeakPolarHBondContact O-CB 3.47Å; C420-L424 PolarHBondContact O-N 3.41Å |
| 421 | D | 96.4 | Very high | 93.4 | Very high | 20 Ų | 20 | 69.4 Ų | 69.4 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -43.9 | -48.3 | 178.1 | 58 | -8.7 | 0 | 0 | 0 | 114.2 | Y215 D216 V217 R401 L424 N425 V429 | Y215-D421 PolarHBondContact O-N 2.77Å; D216-D421 HydrophobicContact CB-CB 3.71Å; V217-D421 PolarHBondContact N-OD2 2.72Å; R401-D421 WeakPolarHBondContact CG-OD1 3.3Å; R401-D421 IonicContact CZ-OD1 3.36Å; R401-D421 IonicContact CZ-OD2 2.7Å; R401-D421 IonicContact NE-OD1 2.73Å; R401-D421 PolarHBondContact NE-OD1 2.78Å; R401-D421 IonicContact NE-OD2 3.18Å; R401-D421 PolarHBondContact NE-OD2 2.96Å; R401-D421 VanDerWaalsContact NE-OD2 3.15Å; R401-D421 IonicContact NH2-OD1 3.15Å; R401-D421 IonicContact NH2-OD2 2.71Å; R401-D421 PolarHBondContact NH2-OD2 3.24Å; D421-L424 PolarHBondContact O-N 3.13Å; D421-N425 CarbonylContact O-C 3.6Å; D421-N425 PolarHBondContact O-N 2.9Å; D421-V429 HydrophobicContact CB-CG2 3.95Å |
| 422 | F | 96.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 68.6 Ų | 68.6 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.3 | -38 | -178.8 | -175.7 | -96.1 | 0 | 0 | 0 | 113.2 | E398 G399 C420 L424 P426 V429 | E398-F422 HydrophobicContact CG-CD2 4.1Å; E398-F422 HydrophobicContact CG-CE2 3.38Å; E398-F422 HydrophobicContact CG-CZ 4.04Å; G399-F422 VanDerWaalsContact C-CG 3.48Å; G399-F422 VanDerWaalsContact O-CB 3.29Å; G399-F422 WeakPolarHBondContact O-CB 3.5Å; G399-F422 WeakPolarHBondContact O-CG 3.43Å; C420-F422 VanDerWaalsContact C-N 3.28Å; C420-F422 PolarHBondContact O-N 3.11Å; F422-L424 VanDerWaalsContact C-N 3.32Å; F422-P426 HydrophobicContact CD2-CB 3.82Å; F422-P426 HydrophobicContact CE1-CB 4.38Å; F422-P426 HydrophobicContact CE2-CB 3.5Å; F422-P426 VanDerWaalsContact CE2-CB 3.5Å; F422-P426 HydrophobicContact CG-CB 4.38Å; F422-P426 HydrophobicContact CZ-CB 3.83Å; F422-P426 WeakPolarHBondContact O-CA 3.34Å; F422-P426 WeakPolarHBondContact O-CB 3.39Å; F422-P426 VanDerWaalsContact O-CD 3.24Å; F422-P426 WeakPolarHBondContact O-CD 3.43Å; F422-V429 HydrophobicContact CB-CG2 4.4Å; F422-V429 HydrophobicContact CD2-CB 4.22Å; F422-V429 HydrophobicContact CD2-CG1 4.23Å |
| 423 | C | 95.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 37% | 0.372 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -74.9 | -24.2 | 176.8 | -72.3 | 0 | 0 | 0 | 0 | 112.8 | C400 C420 | C400-C423 VanDerWaalsContact SG-SG 3.63Å; C420-C423 PolarHBondContact O-N 3.32Å; C420-C423 VanDerWaalsContact SG-SG 3.64Å |
| 424 | L | 94.9 | Very high | 93.9 | Very high | 108 Ų | 108 | 61.1 Ų | 61.1 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -83.7 | -42.4 | 176.4 | -175.5 | 65.5 | 0 | 0 | 0 | 112 | C420 D421 F422 | C420-L424 WeakPolarHBondContact O-CB 3.47Å; C420-L424 PolarHBondContact O-N 3.41Å; D421-L424 PolarHBondContact O-N 3.13Å; F422-L424 VanDerWaalsContact C-N 3.32Å |
| 425 | N | 94.5 | Very high | 93.9 | Very high | 87 Ų | 87 | 66.9 Ų | 66.9 | 47% | 0.465 | 35% | 0.354 | S | S | . | . | trans | -153.9 | 77.7 | -175.5 | -111.3 | -53.8 | 0 | 0 | 0 | 112.4 | D421 K427 V428 V429 | D421-N425 CarbonylContact O-C 3.6Å; D421-N425 PolarHBondContact O-N 2.9Å; N425-K427 VanDerWaalsContact C-N 3.28Å; N425-K427 PolarHBondContact O-N 3.49Å; N425-V428 HydrophobicContact CB-CB 4.34Å; N425-V428 HydrophobicContact CB-CG2 4.03Å; N425-V428 PolarHBondContact O-N 3.42Å; N425-V428 VanDerWaalsContact O-N 3.16Å; N425-V429 PolarHBondContact O-N 3.49Å | ||
| 426 | P | 95 | Very high | 93.8 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 29% | 0.286 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -32.3 | -174.2 | 24.7 | -32.9 | 0 | 0 | 0 | 112.7 | F422 V428 V429 R430 | F422-P426 HydrophobicContact CD2-CB 3.82Å; F422-P426 HydrophobicContact CE1-CB 4.38Å; F422-P426 HydrophobicContact CE2-CB 3.5Å; F422-P426 VanDerWaalsContact CE2-CB 3.5Å; F422-P426 HydrophobicContact CG-CB 4.38Å; F422-P426 HydrophobicContact CZ-CB 3.83Å; F422-P426 WeakPolarHBondContact O-CA 3.34Å; F422-P426 WeakPolarHBondContact O-CB 3.39Å; F422-P426 VanDerWaalsContact O-CD 3.24Å; F422-P426 WeakPolarHBondContact O-CD 3.43Å; P426-V428 VanDerWaalsContact C-N 3.32Å; P426-V428 PolarHBondContact O-N 3.31Å; P426-V429 PolarHBondContact O-N 3.41Å; P426-R430 WeakPolarHBondContact O-CG 3.35Å; P426-R430 PolarHBondContact O-N 2.92Å |
| 427 | K | 95.4 | Very high | 93.6 | Very high | 164 Ų | 164 | 60.2 Ų | 60.2 | 71% | 0.713 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.7 | -40.7 | 176.4 | -64.9 | -176.3 | -179.8 | -179.6 | 0 | 112.3 | N425 A431 | N425-K427 VanDerWaalsContact C-N 3.28Å; N425-K427 PolarHBondContact O-N 3.49Å; K427-A431 WeakPolarHBondContact O-CB 3.48Å; K427-A431 PolarHBondContact O-N 3.22Å; K427-A431 VanDerWaalsContact O-N 3.09Å |
| 428 | V | 93.8 | Very high | 93.4 | Very high | 85 Ų | 85 | 57.3 Ų | 57.3 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | -179.6 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | N425 P426 Q432 | N425-V428 HydrophobicContact CB-CB 4.34Å; N425-V428 HydrophobicContact CB-CG2 4.03Å; N425-V428 PolarHBondContact O-N 3.42Å; N425-V428 VanDerWaalsContact O-N 3.16Å; P426-V428 VanDerWaalsContact C-N 3.32Å; P426-V428 PolarHBondContact O-N 3.31Å; V428-Q432 WeakPolarHBondContact O-CB 3.08Å; V428-Q432 PolarHBondContact O-N 2.77Å |
| 429 | V | 94.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 111 | D421 F422 N425 P426 Q432 L433 | D421-V429 HydrophobicContact CB-CG2 3.95Å; F422-V429 HydrophobicContact CB-CG2 4.4Å; F422-V429 HydrophobicContact CD2-CB 4.22Å; F422-V429 HydrophobicContact CD2-CG1 4.23Å; N425-V429 PolarHBondContact O-N 3.49Å; P426-V429 PolarHBondContact O-N 3.41Å; V429-Q432 WeakPolarHBondContact O-CB 3.4Å; V429-Q432 PolarHBondContact O-N 3.02Å; V429-Q432 VanDerWaalsContact O-N 3.12Å; V429-L433 HydrophobicContact CG1-CD1 4.08Å; V429-L433 HydrophobicContact CG1-CG 4.49Å; V429-L433 WeakPolarHBondContact O-CG 3.39Å; V429-L433 PolarHBondContact O-N 2.96Å |
| 430 | R | 95.4 | Very high | 91.9 | Very high | 100 Ų | 100 | 61.1 Ų | 61.1 | 38% | 0.377 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -54.9 | -55.3 | 173.5 | -74.3 | 175.6 | -176.6 | 145.3 | 9.4 | 112.2 | E398 P426 Q432 L433 E434 | E398-R430 HydrophobicContact CG-CG 4.16Å; E398-R430 IonicContact OE1-CZ 2.72Å; E398-R430 IonicContact OE1-NE 3.52Å; E398-R430 PolarHBondContact OE1-NE 3.43Å; E398-R430 IonicContact OE1-NH2 3.83Å; E398-R430 PolarHBondContact OE1-NH2 3.03Å; E398-R430 WeakPolarHBondContact OE2-CG 3.24Å; E398-R430 IonicContact OE2-NE 3.81Å; E398-R430 PolarHBondContact OE2-NE 3.37Å; P426-R430 WeakPolarHBondContact O-CG 3.35Å; P426-R430 PolarHBondContact O-N 2.92Å; R430-Q432 PolarHBondContact O-N 3.45Å; R430-Q432 VanDerWaalsContact O-N 3.09Å; R430-L433 WeakPolarHBondContact O-CB 3.35Å; R430-L433 PolarHBondContact O-N 2.88Å; R430-E434 WeakPolarHBondContact O-CG 3.3Å; R430-E434 PolarHBondContact O-N 3.14Å |
| 431 | A | 94.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62 | -21.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K427 R435 | K427-A431 WeakPolarHBondContact O-CB 3.48Å; K427-A431 PolarHBondContact O-N 3.22Å; K427-A431 VanDerWaalsContact O-N 3.09Å; A431-R435 WeakPolarHBondContact O-CB 3.47Å; A431-R435 VanDerWaalsContact O-CG 3.3Å; A431-R435 WeakPolarHBondContact O-CG 3.17Å; A431-R435 PolarHBondContact O-N 3.19Å; A431-R435 PolarHBondContact O-NE 3.39Å |
| 432 | Q | 93.8 | Very high | 88.3 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -78.3 | -44.4 | 171.6 | -161.2 | 179.6 | 22.7 | 0 | 0 | 111.9 | V217 F219 L222 V428 V429 R430 R435 A436 | V217-Q432 PolarHBondContact O-OE1 3.08Å; F219-Q432 HydrophobicContact CB-CG 4.3Å; F219-Q432 HydrophobicContact CD2-CG 3.8Å; F219-Q432 HydrophobicContact CG-CG 4.3Å; F219-Q432 VanDerWaalsContact N-NE2 3.16Å; L222-Q432 HydrophobicContact CD1-CG 3.51Å; V428-Q432 WeakPolarHBondContact O-CB 3.08Å; V428-Q432 PolarHBondContact O-N 2.77Å; V429-Q432 WeakPolarHBondContact O-CB 3.4Å; V429-Q432 PolarHBondContact O-N 3.02Å; V429-Q432 VanDerWaalsContact O-N 3.12Å; R430-Q432 PolarHBondContact O-N 3.45Å; R430-Q432 VanDerWaalsContact O-N 3.09Å; Q432-R435 PolarHBondContact O-N 3.12Å; Q432-A436 WeakPolarHBondContact O-CB 3.4Å; Q432-A436 PolarHBondContact O-N 3.35Å |
| 433 | L | 93.3 | Very high | 86.1 | Confident | 28 Ų | 28 | 74 Ų | 74 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 176 | -70.8 | 168.9 | 0 | 0 | 0 | 111.5 | F219 E396 E398 V429 R430 R435 A436 A437 | F219-L433 HydrophobicContact CE1-CD2 4.41Å; F219-L433 HydrophobicContact CE2-CD2 3.84Å; F219-L433 HydrophobicContact CZ-CD2 3.47Å; F219-L433 VanDerWaalsContact CZ-CD2 3.47Å; E396-L433 WeakPolarHBondContact O-CD2 3.45Å; E398-L433 HydrophobicContact CB-CD1 3.93Å; E398-L433 HydrophobicContact CG-CD1 4.48Å; V429-L433 HydrophobicContact CG1-CD1 4.08Å; V429-L433 HydrophobicContact CG1-CG 4.49Å; V429-L433 WeakPolarHBondContact O-CG 3.39Å; V429-L433 PolarHBondContact O-N 2.96Å; R430-L433 WeakPolarHBondContact O-CB 3.35Å; R430-L433 PolarHBondContact O-N 2.88Å; L433-R435 PolarHBondContact O-N 3.39Å; L433-A436 CarbonylContact O-C 3.55Å; L433-A436 PolarHBondContact O-N 2.72Å; L433-A436 VanDerWaalsContact O-N 3.16Å; L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 2.69Å |
| 434 | E | 93 | Very high | 83.6 | Confident | 124 Ų | 124 | 77.2 Ų | 77.2 | 58% | 0.579 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.8 | -48 | 176.2 | -71.6 | 161.9 | -164.3 | 0 | 0 | 111.8 | R430 A436 A437 A438 | R430-E434 WeakPolarHBondContact O-CG 3.3Å; R430-E434 PolarHBondContact O-N 3.14Å; E434-A436 VanDerWaalsContact C-N 3.33Å; E434-A436 PolarHBondContact O-N 2.9Å; E434-A437 WeakPolarHBondContact O-CB 3.28Å; E434-A437 PolarHBondContact O-N 2.92Å; E434-A437 VanDerWaalsContact O-N 3.15Å; E434-A438 WeakPolarHBondContact O-CB 3.17Å; E434-A438 PolarHBondContact O-N 3.21Å |
| 435 | R | 91.8 | Very high | 80.8 | Confident | 145 Ų | 145 | 78.7 Ų | 78.7 | 55% | 0.547 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 175.6 | -75.7 | -178.4 | -67.8 | 174.4 | -1.9 | 112.3 | L222 A431 Q432 L433 A437 L439 | L222-R435 HydrophobicContact CD1-CB 4.2Å; L222-R435 HydrophobicContact CD2-CB 4.27Å; A431-R435 WeakPolarHBondContact O-CB 3.47Å; A431-R435 VanDerWaalsContact O-CG 3.3Å; A431-R435 WeakPolarHBondContact O-CG 3.17Å; A431-R435 PolarHBondContact O-N 3.19Å; A431-R435 PolarHBondContact O-NE 3.39Å; Q432-R435 PolarHBondContact O-N 3.12Å; L433-R435 PolarHBondContact O-N 3.39Å; R435-A437 VanDerWaalsContact C-N 3.3Å; R435-A437 PolarHBondContact O-N 3.03Å; R435-L439 PolarHBondContact O-N 2.94Å; R435-L439 VanDerWaalsContact O-N 3.09Å |
| 436 | A | 88.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 77.6 Ų | 77.6 | 6% | 0.058 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.6 | -21.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F219 L222 R353 Q432 L433 E434 | F219-A436 HydrophobicContact CD1-CB 3.27Å; F219-A436 HydrophobicContact CE1-CB 3.54Å; F219-A436 HydrophobicContact CG-CB 4Å; F219-A436 HydrophobicContact CZ-CB 4.45Å; L222-A436 HydrophobicContact CD1-CB 4.44Å; R353-A436 PolarHBondContact NE-O 2.84Å; R353-A436 PolarHBondContact NH2-O 3.47Å; Q432-A436 WeakPolarHBondContact O-CB 3.4Å; Q432-A436 PolarHBondContact O-N 3.35Å; L433-A436 CarbonylContact O-C 3.55Å; L433-A436 PolarHBondContact O-N 2.72Å; L433-A436 VanDerWaalsContact O-N 3.16Å; E434-A436 VanDerWaalsContact C-N 3.33Å; E434-A436 PolarHBondContact O-N 2.9Å |
| 437 | A | 87.8 | Confident | 75.8 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 41% | 0.405 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.7 | -47.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L433 E434 R435 L439 C440 T441 | L433-A437 WeakPolarHBondContact O-CB 3.42Å; L433-A437 PolarHBondContact O-N 2.69Å; E434-A437 WeakPolarHBondContact O-CB 3.28Å; E434-A437 PolarHBondContact O-N 2.92Å; E434-A437 VanDerWaalsContact O-N 3.15Å; R435-A437 VanDerWaalsContact C-N 3.3Å; R435-A437 PolarHBondContact O-N 3.03Å; A437-L439 PolarHBondContact O-N 3.14Å; A437-C440 WeakPolarHBondContact O-CA 3.27Å; A437-C440 WeakPolarHBondContact O-CB 3.43Å; A437-C440 PolarHBondContact O-N 3.28Å; A437-T441 PolarHBondContact O-N 2.89Å |
| 438 | A | 88.2 | Confident | 73.4 | Confident | 46 Ų | 46 | 80.5 Ų | 80.5 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.8 | -25.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E434 C440 T441 K442 | E434-A438 WeakPolarHBondContact O-CB 3.17Å; E434-A438 PolarHBondContact O-N 3.21Å; A438-C440 VanDerWaalsContact C-N 3.29Å; A438-T441 PolarHBondContact O-OG1 3.04Å; A438-K442 WeakPolarHBondContact O-CG 3.25Å |
| 439 | L | 81.9 | Confident | 70.6 | Confident | 98 Ų | 98 | 80 Ų | 80 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -75.2 | -15.3 | 170.2 | -90.1 | 157.1 | 0 | 0 | 0 | 113.9 | L222 R435 A437 T443 | L222-L439 HydrophobicContact CD2-CD1 3.22Å; R435-L439 PolarHBondContact O-N 2.94Å; R435-L439 VanDerWaalsContact O-N 3.09Å; A437-L439 PolarHBondContact O-N 3.14Å; L439-T443 PolarHBondContact O-OG1 3.45Å |
| 440 | C | 68.9 | Low | 68 | Low | 25 Ų | 25 | 88.3 Ų | 88.3 | 17% | 0.169 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -81.4 | -49.5 | 174.1 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | R353 A437 A438 K442 T443 | R353-C440 PolarHBondContact NH1-SG 2.83Å; A437-C440 WeakPolarHBondContact O-CA 3.27Å; A437-C440 WeakPolarHBondContact O-CB 3.43Å; A437-C440 PolarHBondContact O-N 3.28Å; A438-C440 VanDerWaalsContact C-N 3.29Å; C440-K442 VanDerWaalsContact C-N 3.27Å; C440-K442 PolarHBondContact O-N 2.95Å; C440-T443 PolarHBondContact O-N 3.34Å; C440-T443 PolarHBondContact O-OG1 3.31Å |
| 441 | T | 62.7 | Low | 65.3 | Low | 65 Ų | 65 | 89.6 Ų | 89.6 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | A437 A438 T443 E444 E445 | A437-T441 PolarHBondContact O-N 2.89Å; A438-T441 PolarHBondContact O-OG1 3.04Å; T441-T443 PolarHBondContact O-N 3.07Å; T441-E444 WeakPolarHBondContact O-CA 3.4Å; T441-E444 PolarHBondContact O-N 3.43Å; T441-E445 WeakPolarHBondContact O-CG 3.32Å; T441-E445 PolarHBondContact O-N 3.48Å |
| 442 | K | 55.3 | Low | 62.9 | Low | 155 Ų | 155 | 97.9 Ų | 97.9 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -17 | 174.8 | -69.7 | -179 | 179.3 | -174.1 | 0 | 115 | A438 C440 | A438-K442 WeakPolarHBondContact O-CG 3.25Å; C440-K442 VanDerWaalsContact C-N 3.27Å; C440-K442 PolarHBondContact O-N 2.95Å |
| 443 | T | 50.4 | Low | 60.4 | Low | 107 Ų | 107 | 99.3 Ų | 99.3 | 66% | 0.656 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -85 | -17.7 | 169.6 | 13.3 | 0 | 0 | 0 | 0 | 113.2 | L439 C440 T441 | L439-T443 PolarHBondContact O-OG1 3.45Å; C440-T443 PolarHBondContact O-N 3.34Å; C440-T443 PolarHBondContact O-OG1 3.31Å; T441-T443 PolarHBondContact O-N 3.07Å |
| 444 | E | 42.3 | Very low | 57.9 | Low | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -101.2 | -34.5 | -177 | -67 | 173.4 | 167.9 | 0 | 0 | 112 | T441 G446 Q447 | T441-E444 WeakPolarHBondContact O-CA 3.4Å; T441-E444 PolarHBondContact O-N 3.43Å; E444-G446 PolarHBondContact O-N 2.92Å; E444-Q447 PolarHBondContact O-N 3.18Å |
| 445 | E | 35.7 | Very low | 55.6 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -12.5 | 175 | -73.4 | 173.3 | 168.6 | 0 | 0 | 114 | T441 Q447 | T441-E445 WeakPolarHBondContact O-CG 3.32Å; T441-E445 PolarHBondContact O-N 3.48Å; E445-Q447 VanDerWaalsContact C-N 3.27Å; E445-Q447 PolarHBondContact O-N 3.07Å |
| 446 | G | 40.5 | Very low | 53 | Low | 65 Ų | 65 | 104.1 Ų | 104.1 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -3.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E444 | E444-G446 PolarHBondContact O-N 2.92Š|
| 447 | Q | 43.2 | Very low | 50.5 | Low | 165 Ų | 165 | 113 Ų | 113 | 77% | 0.771 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -141.2 | 25.2 | -173.8 | -66.7 | -167.1 | -6.2 | 0 | 0 | 115.4 | E444 E445 | E444-Q447 PolarHBondContact O-N 3.18Å; E445-Q447 VanDerWaalsContact C-N 3.27Å; E445-Q447 PolarHBondContact O-N 3.07Å |
| 448 | S | 45 | Very low | 48.1 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | trans | -157 | 113.9 | 161.1 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 449 | G | 35.2 | Very low | 45.6 | Very low | 76 Ų | 76 | 121.9 Ų | 121.9 | 78% | 0.784 | 69% | 0.693 | S | S | * | * | trans | 179.7 | 83.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 450 | E | 41.1 | Very low | 43.6 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | trans | -67.1 | 132.4 | 172.9 | -67.3 | -175.5 | 141.2 | 0 | 0 | 111 | K452 | E450-K452 PolarHBondContact O-N 2.63Š| ||
| 451 | P | 39 | Very low | 42.3 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | -77 | 105.8 | 176.6 | 30.3 | -32.9 | 0 | 0 | 0 | 110.9 | G453 | P451-G453 PolarHBondContact O-N 3.38Å; P451-G453 VanDerWaalsContact O-N 3.15Å | ||
| 452 | K | 44 | Very low | 40.9 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | -75.2 | 99 | 168.4 | -72.3 | -176.4 | 177.9 | 178.1 | 0 | 110.4 | E450 | E450-K452 PolarHBondContact O-N 2.63Š| ||
| 453 | G | 41.3 | Very low | 40 | Very low | 51 Ų | 51 | 142.7 Ų | 142.7 | 53% | 0.526 | 78% | 0.775 | S | S | . | * | trans | -126.5 | 162.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P451 F455 | P451-G453 PolarHBondContact O-N 3.38Å; P451-G453 VanDerWaalsContact O-N 3.15Å; G453-F455 PolarHBondContact O-N 3.09Å | ||
| 454 | P | 39.4 | Very low | 39.2 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -76.3 | 9.4 | -162.4 | 30.7 | -37.2 | 0 | 0 | 0 | 116.4 | ||
| 455 | F | 44.3 | Very low | 38.7 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -125 | 84.6 | 176.4 | -70.3 | -81.6 | 0 | 0 | 0 | 109.6 | G453 | G453-F455 PolarHBondContact O-N 3.09Š| ||
| 456 | G | 38.9 | Very low | 38.4 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67 | 133.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 457 | F | 34.8 | Very low | 37.9 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 127.1 | -176.4 | -164.4 | -98 | 0 | 0 | 0 | 110.8 | ||
| 458 | M | 37 | Very low | 37.1 | Very low | 167 Ų | 167 | 144 Ų | 144 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 124.1 | -179.9 | -76.7 | -71.3 | 166.3 | 0 | 0 | 110.7 | E460 | M458-E460 PolarHBondContact O-N 3.32Š|
| 459 | P | 36.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 32.4 | -162.4 | 36.2 | -36.2 | 0 | 0 | 0 | 116.2 | ||
| 460 | E | 40.9 | Very low | 36 | Very low | 188 Ų | 188 | 150.1 Ų | 150.1 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 9 | -178.6 | -74.6 | -164.5 | 152.5 | 0 | 0 | 115.7 | M458 | M458-E460 PolarHBondContact O-N 3.32Š|
| 461 | Q | 40.3 | Very low | 35.4 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | -137.5 | 76.5 | -178.6 | -69.9 | -170.8 | -16.6 | 0 | 0 | 114.8 | ||||
| 462 | Y | 33.4 | Very low | 34.8 | Very low | 219 Ų | 219 | 154.4 Ų | 154.4 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -161.7 | 112.7 | 143.9 | -144.4 | -107.7 | 0 | 0 | 0 | 114.3 | ||||
| 463 | E | 36.8 | Very low | 34.5 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -94 | 129.1 | 166.2 | -70.7 | -169.5 | 135.8 | 0 | 0 | 111.6 | ||||
| 464 | G | 33.9 | Very low | 34 | Very low | 69 Ų | 69 | 162.6 Ų | 162.6 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | 103.3 | 146 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 465 | G | 31.3 | Very low | 33.7 | Very low | 77 Ų | 77 | 163.8 Ų | 163.8 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | 123.7 | 26.9 | 128.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 466 | K | 30 | Very low | 33.3 | Very low | 199 Ų | 199 | 163.8 Ų | 163.8 | 87% | 0.865 | 84% | 0.838 | S | S | * | * | trans | 65.5 | 132.5 | 155.4 | -87.4 | 175.8 | 178.5 | 164.1 | 0 | 121.8 | ||||
| 467 | K | 31 | Very low | 32.8 | Very low | 208 Ų | 208 | 163.5 Ų | 163.5 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | trans | 76.1 | 113.7 | 146.6 | -73.6 | -173 | 174.3 | -175.6 | 0 | 119.9 | ||||
| 468 | G | 26.2 | Very low | 32.9 | Very low | 72 Ų | 72 | 163.7 Ų | 163.7 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | 166.4 | 100.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 469 | Y | 25.8 | Very low | 33.2 | Very low | 243 Ų | 243 | 159.9 Ų | 159.9 | 95% | 0.953 | 84% | 0.842 | S | S | * | * | trans | 55.6 | 118.8 | 153.2 | -104 | -97.2 | 0 | 0 | 0 | 121.4 | ||||
| 470 | G | 30 | Very low | 32.9 | Very low | 65 Ų | 65 | 158.1 Ų | 158.1 | 67% | 0.67 | 85% | 0.845 | S | S | * | * | trans | 96.1 | 101.6 | 130.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 471 | F | 28.8 | Very low | 33 | Very low | 215 Ų | 215 | 153 Ų | 153 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | 61.8 | 83.2 | 150.7 | -90 | -89.9 | 0 | 0 | 0 | 119.3 | ||||
| 472 | E | 27.6 | Very low | 33.3 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -129.3 | 127.5 | 146.1 | -67.6 | -172 | 136.2 | 0 | 0 | 107.2 | ||||
| 473 | R | 37.2 | Very low | 33.9 | Very low | 224 Ų | 224 | 143.4 Ų | 143.4 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | 46 | 109.6 | 86 | -76.9 | -166.4 | -179.3 | -167.3 | 2.8 | 111.7 | |||||
| 474 | F | 29.5 | Very low | 34.2 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -121.3 | 114.5 | 163.3 | -117.3 | -93 | 0 | 0 | 0 | 107 | ||||
| 475 | D | 33.2 | Very low | 34.9 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -84.4 | 170.3 | 162.1 | -143.4 | -29.1 | 0 | 0 | 0 | 109.1 | ||||
| 476 | E | 36.4 | Very low | 36.1 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -70.3 | 138.4 | -164.1 | -64.4 | -157.9 | 152.8 | 0 | 0 | 115.4 | ||||
| 477 | G | 28.5 | Very low | 37.7 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -145.2 | 88.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 478 | E | 37.3 | Very low | 39.6 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 92% | 0.916 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 50 | 106.5 | 153.5 | -139.3 | 170.3 | -166.8 | 0 | 0 | 120.2 | ||
| 479 | G | 42.4 | Very low | 41.5 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | trans | 77.8 | 67.8 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 480 | G | 30.6 | Very low | 43.4 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | -158.3 | 74.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 481 | S | 42.9 | Very low | 45.4 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 56% | 0.559 | 70% | 0.704 | S | S | * | * | trans | 48.1 | 88.8 | 153.2 | -164.9 | 0 | 0 | 0 | 0 | 119.8 | E483 E484 | S481-E483 PolarHBondContact O-N 3.31Å; S481-E484 PolarHBondContact O-N 3.06Å | ||
| 482 | A | 46.3 | Very low | 47.3 | Very low | 80 Ų | 80 | 131 Ų | 131 | 66% | 0.661 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -60.8 | -7.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T486 | A482-T486 WeakPolarHBondContact O-CG2 3.5Å; A482-T486 PolarHBondContact O-N 3.2Å; A482-T486 PolarHBondContact O-OG1 2.86Å; A482-T486 VanDerWaalsContact O-OG1 3.05Å |
| 483 | E | 46 | Very low | 48.8 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 55% | 0.547 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -70.3 | -33 | 172.9 | -77.7 | -148.5 | 162.4 | 0 | 0 | 113.4 | S481 T486 K487 | S481-E483 PolarHBondContact O-N 3.31Å; E483-T486 PolarHBondContact O-OG1 3.39Å; E483-K487 WeakPolarHBondContact O-CB 3.34Å; E483-K487 VanDerWaalsContact O-CD 3.31Å; E483-K487 WeakPolarHBondContact O-CD 3.44Å; E483-K487 WeakPolarHBondContact O-CG 3.17Å; E483-K487 PolarHBondContact O-N 3.43Å; E483-K487 WeakPolarHBondContact OE2-CE 3.35Å; E483-K487 IonicContact OE2-NZ 2.74Å; E483-K487 PolarHBondContact OE2-NZ 3.22Å |
| 484 | E | 44.2 | Very low | 49.8 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 61% | 0.607 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.8 | -46.7 | -179.1 | -84.3 | -68 | 115.8 | 0 | 0 | 110.8 | S481 T486 K487 K488 | S481-E484 PolarHBondContact O-N 3.06Å; E484-T486 PolarHBondContact O-N 3.06Å; E484-K487 PolarHBondContact O-N 2.56Å; E484-K488 WeakPolarHBondContact O-CB 3.37Å; E484-K488 PolarHBondContact O-N 3.1Å |
| 485 | E | 48.4 | Very low | 51.7 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 48% | 0.481 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -60.8 | -42.7 | 177.1 | -113.1 | -131.9 | 107.8 | 0 | 0 | 112.3 | K488 R489 | E485-K488 WeakPolarHBondContact O-CB 3.44Å; E485-K488 PolarHBondContact O-N 3.21Å; E485-R489 VanDerWaalsContact CD-NH2 3.33Å; E485-R489 WeakPolarHBondContact O-CG 3.45Å; E485-R489 PolarHBondContact O-N 2.96Å; E485-R489 IonicContact OE1-CZ 2.75Å; E485-R489 VanDerWaalsContact OE1-CZ 3.25Å; E485-R489 IonicContact OE1-NE 2.65Å; E485-R489 PolarHBondContact OE1-NE 3.29Å; E485-R489 IonicContact OE1-NH2 2.64Å; E485-R489 PolarHBondContact OE1-NH2 2.9Å; E485-R489 IonicContact OE2-CZ 3.34Å; E485-R489 IonicContact OE2-NH2 3.14Å; E485-R489 PolarHBondContact OE2-NH2 3.45Å |
| 486 | T | 56.6 | Low | 53.5 | Low | 70 Ų | 70 | 113 Ų | 113 | 43% | 0.429 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.1 | -30.5 | 178.3 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | A482 E483 E484 K490 | A482-T486 WeakPolarHBondContact O-CG2 3.5Å; A482-T486 PolarHBondContact O-N 3.2Å; A482-T486 PolarHBondContact O-OG1 2.86Å; A482-T486 VanDerWaalsContact O-OG1 3.05Å; E483-T486 PolarHBondContact O-OG1 3.39Å; E484-T486 PolarHBondContact O-N 3.06Å; T486-K490 WeakPolarHBondContact O-CB 3.39Å; T486-K490 WeakPolarHBondContact O-CD 3.49Å; T486-K490 VanDerWaalsContact O-CG 3.23Å; T486-K490 WeakPolarHBondContact O-CG 3.41Å; T486-K490 PolarHBondContact O-N 3.08Å; T486-K490 VanDerWaalsContact O-N 3.14Å |
| 487 | K | 63.6 | Low | 54.8 | Low | 103 Ų | 103 | 109 Ų | 109 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.6 | -41.2 | 168.7 | -72.9 | 162.4 | -165.8 | 158.5 | 0 | 111.2 | E483 E484 K490 K491 | E483-K487 WeakPolarHBondContact O-CB 3.34Å; E483-K487 VanDerWaalsContact O-CD 3.31Å; E483-K487 WeakPolarHBondContact O-CD 3.44Å; E483-K487 WeakPolarHBondContact O-CG 3.17Å; E483-K487 PolarHBondContact O-N 3.43Å; E483-K487 WeakPolarHBondContact OE2-CE 3.35Å; E483-K487 IonicContact OE2-NZ 2.74Å; E483-K487 PolarHBondContact OE2-NZ 3.22Å; E484-K487 PolarHBondContact O-N 2.56Å; K487-K490 PolarHBondContact O-N 3.13Å; K487-K491 WeakPolarHBondContact O-CB 3.38Å; K487-K491 PolarHBondContact O-N 3.04Å |
| 488 | K | 70.8 | Confident | 56.4 | Low | 131 Ų | 131 | 112.4 Ų | 112.4 | 57% | 0.57 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.3 | -52.2 | 177.1 | -170.8 | 179.4 | 176 | -171.6 | 0 | 111.8 | E484 E485 K490 K491 E492 | E484-K488 WeakPolarHBondContact O-CB 3.37Å; E484-K488 PolarHBondContact O-N 3.1Å; E485-K488 WeakPolarHBondContact O-CB 3.44Å; E485-K488 PolarHBondContact O-N 3.21Å; K488-K490 VanDerWaalsContact C-N 3.33Å; K488-K490 PolarHBondContact O-N 2.97Å; K488-K491 WeakPolarHBondContact O-CB 3.35Å; K488-K491 PolarHBondContact O-N 3.25Å; K488-E492 VanDerWaalsContact CE-OE1 3.26Å; K488-E492 WeakPolarHBondContact CE-OE1 3.41Å; K488-E492 WeakPolarHBondContact CG-OE1 3.27Å; K488-E492 WeakPolarHBondContact O-CG 3.48Å; K488-E492 PolarHBondContact O-N 3Å |
| 489 | R | 64.6 | Low | 57.7 | Low | 152 Ų | 152 | 110.3 Ų | 110.3 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.1 | -37.1 | 176.2 | -65.7 | -177.2 | -165.2 | -170.3 | 7.8 | 112.7 | E485 F493 | E485-R489 VanDerWaalsContact CD-NH2 3.33Å; E485-R489 WeakPolarHBondContact O-CG 3.45Å; E485-R489 PolarHBondContact O-N 2.96Å; E485-R489 IonicContact OE1-CZ 2.75Å; E485-R489 VanDerWaalsContact OE1-CZ 3.25Å; E485-R489 IonicContact OE1-NE 2.65Å; E485-R489 PolarHBondContact OE1-NE 3.29Å; E485-R489 IonicContact OE1-NH2 2.64Å; E485-R489 PolarHBondContact OE1-NH2 2.9Å; E485-R489 IonicContact OE2-CZ 3.34Å; E485-R489 IonicContact OE2-NH2 3.14Å; E485-R489 PolarHBondContact OE2-NH2 3.45Å; R489-F493 WeakPolarHBondContact O-CB 3.35Å; R489-F493 PolarHBondContact O-N 2.75Å |
| 490 | K | 67.5 | Low | 58.4 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.3 | -37.3 | 173.1 | -78.8 | 170.7 | -177.1 | 166.5 | 0 | 112.8 | T486 K487 K488 S494 | T486-K490 WeakPolarHBondContact O-CB 3.39Å; T486-K490 WeakPolarHBondContact O-CD 3.49Å; T486-K490 VanDerWaalsContact O-CG 3.23Å; T486-K490 WeakPolarHBondContact O-CG 3.41Å; T486-K490 PolarHBondContact O-N 3.08Å; T486-K490 VanDerWaalsContact O-N 3.14Å; K487-K490 PolarHBondContact O-N 3.13Å; K488-K490 VanDerWaalsContact C-N 3.33Å; K488-K490 PolarHBondContact O-N 2.97Å; K490-S494 VanDerWaalsContact O-CB 3.29Å; K490-S494 WeakPolarHBondContact O-CB 3.3Å; K490-S494 PolarHBondContact O-N 3.19Å |
| 491 | K | 70.6 | Confident | 59.6 | Low | 144 Ų | 144 | 110.6 Ų | 110.6 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.8 | -48.3 | 175.6 | -174 | -178.1 | 176.3 | -171.8 | 0 | 110.9 | K487 K488 F493 S494 D495 | K487-K491 WeakPolarHBondContact O-CB 3.38Å; K487-K491 PolarHBondContact O-N 3.04Å; K488-K491 WeakPolarHBondContact O-CB 3.35Å; K488-K491 PolarHBondContact O-N 3.25Å; K491-F493 PolarHBondContact O-N 3.21Å; K491-S494 WeakPolarHBondContact O-CB 3.21Å; K491-S494 PolarHBondContact O-N 3.07Å; K491-D495 WeakPolarHBondContact O-CB 3.37Å; K491-D495 PolarHBondContact O-N 3.37Å |
| 492 | E | 70.3 | Confident | 60.3 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 45% | 0.453 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.1 | -71.3 | 164.1 | 178.4 | 0 | 0 | 112 | K488 D495 L496 | K488-E492 VanDerWaalsContact CE-OE1 3.26Å; K488-E492 WeakPolarHBondContact CE-OE1 3.41Å; K488-E492 WeakPolarHBondContact CG-OE1 3.27Å; K488-E492 WeakPolarHBondContact O-CG 3.48Å; K488-E492 PolarHBondContact O-N 3Å; E492-D495 PolarHBondContact O-N 3.31Å; E492-L496 WeakPolarHBondContact O-CB 3.39Å; E492-L496 PolarHBondContact O-N 3.18Å |
| 493 | F | 58.8 | Low | 60.6 | Low | 147 Ų | 147 | 114 Ų | 114 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 173.8 | -176 | -95.8 | 0 | 0 | 0 | 112.6 | R489 K491 D495 L496 F497 | R489-F493 WeakPolarHBondContact O-CB 3.35Å; R489-F493 PolarHBondContact O-N 2.75Å; K491-F493 PolarHBondContact O-N 3.21Å; F493-D495 VanDerWaalsContact C-N 3.32Å; F493-D495 PolarHBondContact O-N 2.88Å; F493-L496 PolarHBondContact O-N 3.05Å; F493-F497 VanDerWaalsContact O-CB 3.3Å; F493-F497 WeakPolarHBondContact O-CB 3.5Å; F493-F497 PolarHBondContact O-N 2.88Å |
| 494 | S | 57.5 | Low | 60.7 | Low | 60 Ų | 60 | 117 Ų | 117 | 42% | 0.42 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 175.9 | -171 | 0 | 0 | 0 | 0 | 111.9 | K490 K491 R498 | K490-S494 VanDerWaalsContact O-CB 3.29Å; K490-S494 WeakPolarHBondContact O-CB 3.3Å; K490-S494 PolarHBondContact O-N 3.19Å; K491-S494 WeakPolarHBondContact O-CB 3.21Å; K491-S494 PolarHBondContact O-N 3.07Å; S494-R498 WeakPolarHBondContact O-CB 3.34Å; S494-R498 PolarHBondContact O-N 3.17Å |
| 495 | D | 70.4 | Confident | 60.8 | Low | 62 Ų | 62 | 117.9 Ų | 117.9 | 33% | 0.332 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74.7 | -35.9 | 178.2 | -69.8 | -22.3 | 0 | 0 | 0 | 112.4 | K491 E492 F493 R498 K499 | K491-D495 WeakPolarHBondContact O-CB 3.37Å; K491-D495 PolarHBondContact O-N 3.37Å; E492-D495 PolarHBondContact O-N 3.31Å; F493-D495 VanDerWaalsContact C-N 3.32Å; F493-D495 PolarHBondContact O-N 2.88Å; D495-R498 PolarHBondContact O-N 2.99Å; D495-R498 IonicContact OD1-CZ 3.18Å; D495-R498 VanDerWaalsContact OD1-CZ 3.28Å; D495-R498 IonicContact OD1-NE 3.55Å; D495-R498 PolarHBondContact OD1-NE 2.98Å; D495-R498 IonicContact OD1-NH2 3.23Å; D495-R498 PolarHBondContact OD1-NH2 3.4Å; D495-K499 WeakPolarHBondContact O-CB 3.48Å; D495-K499 PolarHBondContact O-N 3.19Å |
| 496 | L | 70.8 | Confident | 60.2 | Low | 117 Ų | 117 | 115.7 Ų | 115.7 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 168.2 | -103.2 | 167.2 | 0 | 0 | 0 | 111.9 | E492 F493 R498 K499 Q500 | E492-L496 WeakPolarHBondContact O-CB 3.39Å; E492-L496 PolarHBondContact O-N 3.18Å; F493-L496 PolarHBondContact O-N 3.05Å; L496-R498 VanDerWaalsContact C-N 3.31Å; L496-R498 PolarHBondContact O-N 2.89Å; L496-K499 PolarHBondContact O-N 3.42Å; L496-Q500 PolarHBondContact O-N 2.88Å |
| 497 | F | 62.4 | Low | 59.2 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.5 | -39.3 | 177 | -170.3 | -94.4 | 0 | 0 | 0 | 111.4 | F493 Q500 M501 | F493-F497 VanDerWaalsContact O-CB 3.3Å; F493-F497 WeakPolarHBondContact O-CB 3.5Å; F493-F497 PolarHBondContact O-N 2.88Å; F497-Q500 PolarHBondContact O-N 3.25Å; F497-M501 HydrophobicContact CD1-CG 4.07Å; F497-M501 HydrophobicContact CE1-CE 3.83Å; F497-M501 HydrophobicContact CE1-CG 3.81Å; F497-M501 HydrophobicContact CE2-CE 4.09Å; F497-M501 HydrophobicContact CZ-CE 3.42Å; F497-M501 VanDerWaalsContact CZ-CE 3.42Å; F497-M501 HydrophobicContact CZ-CG 4.3Å; F497-M501 WeakPolarHBondContact O-CB 3.39Å; F497-M501 WeakPolarHBondContact O-CG 3.29Å; F497-M501 PolarHBondContact O-N 2.89Å |
| 498 | R | 61.6 | Low | 58.4 | Low | 140 Ų | 140 | 120.5 Ų | 120.5 | 53% | 0.528 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -39.8 | 174.4 | -162.4 | -167.7 | -40.2 | -144.2 | 7.3 | 112.1 | S494 D495 L496 M501 N502 | S494-R498 WeakPolarHBondContact O-CB 3.34Å; S494-R498 PolarHBondContact O-N 3.17Å; D495-R498 PolarHBondContact O-N 2.99Å; D495-R498 IonicContact OD1-CZ 3.18Å; D495-R498 VanDerWaalsContact OD1-CZ 3.28Å; D495-R498 IonicContact OD1-NE 3.55Å; D495-R498 PolarHBondContact OD1-NE 2.98Å; D495-R498 IonicContact OD1-NH2 3.23Å; D495-R498 PolarHBondContact OD1-NH2 3.4Å; L496-R498 VanDerWaalsContact C-N 3.31Å; L496-R498 PolarHBondContact O-N 2.89Å; R498-M501 PolarHBondContact O-N 2.74Å; R498-N502 WeakPolarHBondContact O-CB 3.48Å; R498-N502 PolarHBondContact O-N 2.64Å |
| 499 | K | 64.7 | Low | 56.8 | Low | 153 Ų | 153 | 117.3 Ų | 117.3 | 67% | 0.665 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.7 | -49.5 | 171.1 | -95.8 | -177.1 | 170.4 | -178.6 | 0 | 111.4 | D495 L496 M501 N502 L503 | D495-K499 WeakPolarHBondContact O-CB 3.48Å; D495-K499 PolarHBondContact O-N 3.19Å; L496-K499 PolarHBondContact O-N 3.42Å; K499-M501 VanDerWaalsContact C-N 3.33Å; K499-M501 PolarHBondContact O-N 3.03Å; K499-N502 CarbonylContact O-C 3.57Å; K499-N502 PolarHBondContact O-N 3.34Å; K499-N502 VanDerWaalsContact O-N 3.16Å; K499-L503 WeakPolarHBondContact O-CG 3.28Å; K499-L503 PolarHBondContact O-N 2.87Å |
| 500 | Q | 57.7 | Low | 55.6 | Low | 96 Ų | 96 | 117.8 Ų | 117.8 | 45% | 0.449 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -56.3 | -44.1 | 174.3 | -100.9 | -100.8 | -19.1 | 0 | 0 | 112 | L496 F497 L503 R504 | L496-Q500 PolarHBondContact O-N 2.88Å; F497-Q500 PolarHBondContact O-N 3.25Å; Q500-L503 PolarHBondContact O-N 3.4Å; Q500-R504 WeakPolarHBondContact O-CG 3.41Å; Q500-R504 PolarHBondContact O-N 3.1Å; Q500-R504 VanDerWaalsContact OE1-NE 3.1Å |
| 501 | M | 56.6 | Low | 54.4 | Low | 76 Ų | 76 | 120.7 Ų | 120.7 | 37% | 0.374 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.5 | -30.4 | 177.5 | -75.5 | -65.9 | 175.4 | 0 | 0 | 113.4 | F497 R498 K499 K505 | F497-M501 HydrophobicContact CD1-CG 4.07Å; F497-M501 HydrophobicContact CE1-CE 3.83Å; F497-M501 HydrophobicContact CE1-CG 3.81Å; F497-M501 HydrophobicContact CE2-CE 4.09Å; F497-M501 HydrophobicContact CZ-CE 3.42Å; F497-M501 VanDerWaalsContact CZ-CE 3.42Å; F497-M501 HydrophobicContact CZ-CG 4.3Å; F497-M501 WeakPolarHBondContact O-CB 3.39Å; F497-M501 WeakPolarHBondContact O-CG 3.29Å; F497-M501 PolarHBondContact O-N 2.89Å; R498-M501 PolarHBondContact O-N 2.74Å; K499-M501 VanDerWaalsContact C-N 3.33Å; K499-M501 PolarHBondContact O-N 3.03Å; M501-K505 WeakPolarHBondContact O-CG 3.34Å; M501-K505 PolarHBondContact O-N 3.11Å |
| 502 | N | 56.1 | Low | 53.3 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 49% | 0.487 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.7 | -22.9 | 171.9 | -77 | -7.9 | 0 | 0 | 0 | 112.9 | R498 K499 | R498-N502 WeakPolarHBondContact O-CB 3.48Å; R498-N502 PolarHBondContact O-N 2.64Å; K499-N502 CarbonylContact O-C 3.57Å; K499-N502 PolarHBondContact O-N 3.34Å; K499-N502 VanDerWaalsContact O-N 3.16Å |
| 503 | L | 53.3 | Low | 52.4 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.2 | -30.8 | 169.5 | -71.3 | 165 | 0 | 0 | 0 | 111.9 | K499 Q500 | K499-L503 WeakPolarHBondContact O-CG 3.28Å; K499-L503 PolarHBondContact O-N 2.87Å; Q500-L503 PolarHBondContact O-N 3.4Å |
| 504 | R | 48.4 | Very low | 52.4 | Low | 179 Ų | 179 | 120.1 Ų | 120.1 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77 | -20 | 171.2 | -68 | 177.2 | -164.6 | -146 | 5.1 | 113.4 | Q500 G506 | Q500-R504 WeakPolarHBondContact O-CG 3.41Å; Q500-R504 PolarHBondContact O-N 3.1Å; Q500-R504 VanDerWaalsContact OE1-NE 3.1Å; R504-G506 PolarHBondContact O-N 2.95Å; R504-G506 VanDerWaalsContact O-N 3.12Å |
| 505 | K | 45.9 | Very low | 52.7 | Low | 148 Ų | 148 | 122.3 Ų | 122.3 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -76.6 | 85.9 | 157 | -71.2 | 175.3 | -173.5 | 172.4 | 0 | 106.8 | M501 | M501-K505 WeakPolarHBondContact O-CG 3.34Å; M501-K505 PolarHBondContact O-N 3.11Å |
| 506 | G | 36.1 | Very low | 52.3 | Low | 58 Ų | 58 | 123.5 Ų | 123.5 | 60% | 0.598 | 63% | 0.632 | S | S | * | * | trans | -50.4 | 155.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R504 | R504-G506 PolarHBondContact O-N 2.95Å; R504-G506 VanDerWaalsContact O-N 3.12Å | ||
| 507 | S | 36 | Very low | 52.5 | Low | 120 Ų | 120 | 119.6 Ų | 119.6 | 84% | 0.839 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -36.2 | 140.8 | 165.7 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | G509 | S507-G509 PolarHBondContact O-N 3.42Š|
| 508 | D | 46.3 | Very low | 53 | Low | 154 Ų | 154 | 119.9 Ų | 119.9 | 82% | 0.824 | 62% | 0.62 | S | S | * | * | trans | -26 | 93.8 | 179.5 | -154.2 | 15.2 | 0 | 0 | 0 | 112.3 | L510 | D508-L510 PolarHBondContact O-N 3.19Å; D508-L510 VanDerWaalsContact O-N 3.1Å | ||
| 509 | G | 36.5 | Very low | 53 | Low | 64 Ų | 64 | 118.3 Ų | 118.3 | 66% | 0.66 | 64% | 0.637 | S | S | * | * | trans | -67.2 | 113.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | S507 R511 | S507-G509 PolarHBondContact O-N 3.42Å; G509-R511 PolarHBondContact O-N 3.17Å | ||
| 510 | L | 41.2 | Very low | 52.9 | Low | 161 Ų | 161 | 118.6 Ų | 118.6 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | trans | -30 | 125.8 | 180 | -80.2 | 156.3 | 0 | 0 | 0 | 110.4 | D508 E512 | D508-L510 PolarHBondContact O-N 3.19Å; D508-L510 VanDerWaalsContact O-N 3.1Å; L510-E512 PolarHBondContact O-N 2.92Å | ||
| 511 | R | 41.8 | Very low | 53.8 | Low | 212 Ų | 212 | 115.3 Ų | 115.3 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | trans | -54.8 | 113.1 | 163.7 | -68.3 | -179.8 | 178.7 | -173 | 0.6 | 105.6 | G509 D513 | G509-R511 PolarHBondContact O-N 3.17Å; R511-D513 PolarHBondContact O-N 3.26Å | ||
| 512 | E | 48 | Very low | 54.7 | Low | 183 Ų | 183 | 114.8 Ų | 114.8 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | trans | -61.8 | 96.9 | 160.9 | -74.6 | -176.6 | 162 | 0 | 0 | 105.3 | L510 F514 | L510-E512 PolarHBondContact O-N 2.92Å; E512-F514 PolarHBondContact O-N 3.33Å | ||
| 513 | D | 50 | Low | 55.9 | Low | 132 Ų | 132 | 111 Ų | 111 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | trans | -58.6 | 137.6 | 178.8 | -76.8 | -41.3 | 0 | 0 | 0 | 108.4 | R511 V515 | R511-D513 PolarHBondContact O-N 3.26Å; D513-V515 PolarHBondContact O-N 3.39Å | ||
| 514 | F | 58.1 | Low | 57.3 | Low | 62 Ų | 62 | 109.6 Ų | 109.6 | 27% | 0.272 | 60% | 0.6 | S | S | . | * | trans | -66.2 | 100.1 | -173.4 | 177.7 | -94.6 | 0 | 0 | 0 | 109.6 | E512 P516 Q529 V536 | E512-F514 PolarHBondContact O-N 3.33Å; F514-P516 WeakPolarHBondContact O-CD 3.44Å; F514-Q529 HydrophobicContact CD1-CG 4.24Å; F514-Q529 VanDerWaalsContact CD1-NE2 3.33Å; F514-Q529 HydrophobicContact CD2-CG 3.72Å; F514-Q529 HydrophobicContact CE1-CG 4.33Å; F514-Q529 HydrophobicContact CE2-CG 3.81Å; F514-Q529 HydrophobicContact CG-CG 3.95Å; F514-Q529 HydrophobicContact CZ-CG 4.12Å; F514-V536 HydrophobicContact CE2-CG2 3.89Å; F514-V536 HydrophobicContact CZ-CG2 3.76Å | ||
| 515 | V | 63.9 | Low | 58.7 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 121 | 173 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | D513 | D513-V515 PolarHBondContact O-N 3.39Š|
| 516 | P | 63.7 | Low | 60.1 | Low | 88 Ų | 88 | 99 Ų | 99 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 156.6 | 176.3 | 27 | -33.8 | 0 | 0 | 0 | 110.9 | F514 | F514-P516 WeakPolarHBondContact O-CD 3.44Š|
| 517 | P | 74 | Confident | 61.8 | Low | 35 Ų | 35 | 100.1 Ų | 100.1 | 23% | 0.227 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -64.2 | 146.3 | 179.2 | 28.7 | -37.1 | 0 | 0 | 0 | 112.4 | C521 A526 S527 V536 | P517-C521 HydrophobicContact CB-CB 3.77Å; P517-A526 HydrophobicContact CB-CB 3.65Å; P517-A526 HydrophobicContact CG-CB 3.75Å; P517-S527 WeakPolarHBondContact CD-OG 3.39Å; P517-S527 WeakPolarHBondContact CG-OG 3.47Å; P517-V536 HydrophobicContact CB-CG1 4.12Å |
| 518 | D | 73.3 | Confident | 63.7 | Low | 118 Ų | 118 | 96 Ų | 96 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 155.8 | 170.2 | -64.1 | -47.5 | 0 | 0 | 0 | 111 | D520 C521 | D518-D520 PolarHBondContact O-N 3.19Å; D518-D520 VanDerWaalsContact O-N 3.1Å; D518-C521 WeakPolarHBondContact O-CB 3.29Å; D518-C521 PolarHBondContact O-N 3.48Å |
| 519 | A | 60.5 | Low | 65 | Low | 107 Ų | 107 | 94.8 Ų | 94.8 | 88% | 0.884 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 520 | D | 64.3 | Low | 67.2 | Low | 159 Ų | 159 | 98.1 Ų | 98.1 | 85% | 0.85 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 18.8 | -179.8 | -62.2 | -51.1 | 0 | 0 | 0 | 113.4 | D518 P522 | D518-D520 PolarHBondContact O-N 3.19Å; D518-D520 VanDerWaalsContact O-N 3.1Å; D520-P522 WeakPolarHBondContact O-CD 3.16Å |
| 521 | C | 74.7 | Confident | 69.2 | Low | 27 Ų | 27 | 90.6 Ų | 90.6 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | trans | -65.2 | 119.3 | -177.6 | -174 | 0 | 0 | 0 | 0 | 112.1 | P517 D518 L523 E540 | P517-C521 HydrophobicContact CB-CB 3.77Å; D518-C521 WeakPolarHBondContact O-CB 3.29Å; D518-C521 PolarHBondContact O-N 3.48Å; C521-L523 PolarHBondContact O-N 3.41Å; C521-E540 PolarHBondContact SG-OE1 3.42Å | ||
| 522 | P | 76.1 | Confident | 70.8 | Confident | 65 Ų | 65 | 84.9 Ų | 84.9 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | trans | -77.9 | -0.2 | -175.7 | 31.7 | -36.8 | 0 | 0 | 0 | 114.5 | D520 L543 V569 | D520-P522 WeakPolarHBondContact O-CD 3.16Å; P522-L543 HydrophobicContact CB-CD2 4.22Å; P522-L543 HydrophobicContact CG-CD2 3.74Å; P522-V569 HydrophobicContact CB-CG2 4.39Å; P522-V569 WeakPolarHBondContact O-CG1 3.41Å; P522-V569 VanDerWaalsContact O-CG2 3.24Å; P522-V569 WeakPolarHBondContact O-CG2 3.39Å | ||
| 523 | L | 82.5 | Confident | 72.2 | Confident | 11 Ų | 11 | 87.7 Ų | 87.7 | 6% | 0.058 | 47% | 0.468 | C | S | . | . | trans | -78.6 | 130.5 | -176.5 | -73.4 | 170.6 | 0 | 0 | 0 | 112.7 | C521 A526 V536 R539 E540 L543 E572 | C521-L523 PolarHBondContact O-N 3.41Å; L523-A526 HydrophobicContact CB-CB 3.86Å; L523-A526 PolarHBondContact O-N 3.04Å; L523-V536 HydrophobicContact CD1-CG1 4.09Å; L523-R539 HydrophobicContact CD1-CB 3.48Å; L523-R539 VanDerWaalsContact CD1-CB 3.48Å; L523-R539 HydrophobicContact CD2-CB 4.05Å; L523-R539 HydrophobicContact CG-CB 4.45Å; L523-E540 HydrophobicContact CD1-CG 3.53Å; L523-E540 HydrophobicContact CG-CG 4.21Å; L523-L543 HydrophobicContact CD2-CB 4.08Å; L523-L543 HydrophobicContact CD2-CD2 3.91Å; L523-L543 HydrophobicContact CG-CD2 4.32Å; L523-E572 HydrophobicContact CD2-CG 3.96Å | ||
| 524 | R | 81.1 | Confident | 73.7 | Confident | 114 Ų | 114 | 82 Ų | 82 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 135.3 | 167.3 | -78 | -179.5 | 172 | -174 | -1.4 | 110.9 | A526 R539 V569 D570 Y573 | R524-A526 VanDerWaalsContact C-N 3.28Å; R524-A526 PolarHBondContact O-N 3.31Å; R524-R539 PolarHBondContact O-NH2 3.12Å; R524-V569 HydrophobicContact CB-CG1 4.36Å; R524-V569 HydrophobicContact CG-CG1 3.81Å; R524-D570 IonicContact CZ-OD1 3.13Å; R524-D570 IonicContact NE-OD1 3.1Å; R524-D570 IonicContact NH1-OD1 2.87Å; R524-D570 PolarHBondContact NH1-OD1 2.88Å; R524-D570 IonicContact NH2-OD1 3.79Å; R524-Y573 HydrophobicContact CB-CD2 3.58Å; R524-Y573 HydrophobicContact CB-CE2 4.19Å; R524-Y573 HydrophobicContact CB-CG 3.8Å |
| 525 | E | 79.1 | Confident | 75 | Confident | 93 Ų | 93 | 81.5 Ų | 81.5 | 44% | 0.435 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 44.8 | -173.1 | -71 | -176.3 | -145.4 | 0 | 0 | 112.8 | S527 S528 R539 Y573 F576 | E525-S527 VanDerWaalsContact C-N 3.26Å; E525-S527 PolarHBondContact O-N 3.46Å; E525-S528 WeakPolarHBondContact O-CB 3.45Å; E525-S528 PolarHBondContact O-N 3.46Å; E525-S528 PolarHBondContact OE2-OG 2.85Å; E525-R539 PolarHBondContact O-NH1 2.57Å; E525-Y573 HydrophobicContact CB-CE2 4.05Å; E525-Y573 HydrophobicContact CG-CE2 3.82Å; E525-Y573 WeakPolarHBondContact OE1-CE2 3.42Å; E525-Y573 PolarHBondContact OE1-OH 2.97Å; E525-F576 HydrophobicContact CB-CE1 4.45Å |
| 526 | A | 75.6 | Confident | 76 | Confident | 12 Ų | 12 | 77 Ų | 77 | 10% | 0.099 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -39.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P517 L523 R524 S528 | P517-A526 HydrophobicContact CB-CB 3.65Å; P517-A526 HydrophobicContact CG-CB 3.75Å; L523-A526 HydrophobicContact CB-CB 3.86Å; L523-A526 PolarHBondContact O-N 3.04Å; R524-A526 VanDerWaalsContact C-N 3.28Å; R524-A526 PolarHBondContact O-N 3.31Å; A526-S528 PolarHBondContact O-N 3.04Å |
| 527 | S | 71.1 | Confident | 76.8 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 56% | 0.559 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.9 | 177.1 | -43 | 0 | 0 | 0 | 0 | 115.2 | P517 E525 | P517-S527 WeakPolarHBondContact CD-OG 3.39Å; P517-S527 WeakPolarHBondContact CG-OG 3.47Å; E525-S527 VanDerWaalsContact C-N 3.26Å; E525-S527 PolarHBondContact O-N 3.46Å |
| 528 | S | 75.7 | Confident | 77.3 | Confident | 34 Ų | 34 | 80.1 Ų | 80.1 | 24% | 0.238 | 42% | 0.418 | C | S | . | . | trans | -85.4 | 114.6 | -172.9 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | E525 A526 R530 F576 | E525-S528 WeakPolarHBondContact O-CB 3.45Å; E525-S528 PolarHBondContact O-N 3.46Å; E525-S528 PolarHBondContact OE2-OG 2.85Å; A526-S528 PolarHBondContact O-N 3.04Å; S528-R530 PolarHBondContact O-N 2.8Å; S528-F576 WeakPolarHBondContact O-CZ 3.42Å | ||
| 529 | Q | 74.8 | Confident | 78.1 | Confident | 128 Ų | 128 | 74.7 Ų | 74.7 | 60% | 0.598 | 39% | 0.389 | S | S | * | . | trans | -83.7 | 20.6 | 176.1 | -62 | -175.8 | 15.3 | 0 | 0 | 113.9 | F514 I531 | F514-Q529 HydrophobicContact CD1-CG 4.24Å; F514-Q529 VanDerWaalsContact CD1-NE2 3.33Å; F514-Q529 HydrophobicContact CD2-CG 3.72Å; F514-Q529 HydrophobicContact CE1-CG 4.33Å; F514-Q529 HydrophobicContact CE2-CG 3.81Å; F514-Q529 HydrophobicContact CG-CG 3.95Å; F514-Q529 HydrophobicContact CZ-CG 4.12Å; Q529-I531 PolarHBondContact O-N 3.42Å | ||
| 530 | R | 82 | Confident | 79.4 | Confident | 134 Ų | 134 | 72.1 Ų | 72.1 | 51% | 0.506 | 36% | 0.359 | S | S | . | . | trans | -48 | -34.2 | -178 | 179.6 | -172.4 | 177.1 | 98.1 | -0.9 | 113.8 | S528 F576 K577 | S528-R530 PolarHBondContact O-N 2.8Å; R530-F576 HydrophobicContact CB-CE1 4.3Å; R530-F576 HydrophobicContact CB-CZ 3.85Å; R530-K577 PolarHBondContact NE-O 3.28Å; R530-K577 PolarHBondContact NH2-O 3.07Å | ||
| 531 | I | 82.7 | Confident | 80.4 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -106.1 | 111.9 | 176.8 | -60.3 | -175 | 0 | 0 | 0 | 108.9 | Q529 R533 L534 F576 C579 Y585 | Q529-I531 PolarHBondContact O-N 3.42Å; I531-R533 PolarHBondContact O-N 3.19Å; I531-L534 HydrophobicContact CB-CB 4.04Å; I531-L534 HydrophobicContact CB-CD2 3.95Å; I531-L534 HydrophobicContact CD1-CD2 3.92Å; I531-L534 HydrophobicContact CG1-CD2 4.43Å; I531-L534 HydrophobicContact CG2-CB 3.85Å; I531-L534 HydrophobicContact CG2-CD2 4.06Å; I531-L534 PolarHBondContact O-N 3.35Å; I531-F576 HydrophobicContact CB-CE2 4.4Å; I531-F576 HydrophobicContact CD1-CD2 3.8Å; I531-F576 HydrophobicContact CD1-CE2 4.05Å; I531-F576 HydrophobicContact CG1-CD2 4.28Å; I531-F576 HydrophobicContact CG1-CE2 4.02Å; I531-C579 HydrophobicContact CD1-CB 3.73Å; I531-Y585 HydrophobicContact CD1-CD2 4.34Å; I531-Y585 HydrophobicContact CD1-CG 4.4Å |
| 532 | P | 76 | Confident | 81.1 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 60% | 0.597 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 134.1 | 178.1 | -25 | 34.3 | 0 | 0 | 0 | 112.1 | ||
| 533 | R | 77.3 | Confident | 81.7 | Confident | 243 Ų | 243 | 66 Ų | 66 | 92% | 0.917 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 39.3 | 179.7 | -49.3 | 178 | -178.6 | -175.7 | -4.4 | 113.9 | I531 S582 | I531-R533 PolarHBondContact O-N 3.19Å; R533-S582 VanDerWaalsContact O-CB 3.3Å; R533-S582 WeakPolarHBondContact O-CB 3.46Å; R533-S582 PolarHBondContact O-OG 3.19Å |
| 534 | L | 82 | Confident | 81.9 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | trans | -116.7 | 110.4 | 166.9 | -177.6 | 63.1 | 0 | 0 | 0 | 108.4 | I531 T538 R539 F576 Y585 | I531-L534 HydrophobicContact CB-CB 4.04Å; I531-L534 HydrophobicContact CB-CD2 3.95Å; I531-L534 HydrophobicContact CD1-CD2 3.92Å; I531-L534 HydrophobicContact CG1-CD2 4.43Å; I531-L534 HydrophobicContact CG2-CB 3.85Å; I531-L534 HydrophobicContact CG2-CD2 4.06Å; I531-L534 PolarHBondContact O-N 3.35Å; L534-T538 HydrophobicContact CD1-CG2 3.54Å; L534-R539 HydrophobicContact CD1-CG 4.26Å; L534-R539 HydrophobicContact CD2-CG 3.83Å; L534-R539 HydrophobicContact CG-CG 3.88Å; L534-F576 HydrophobicContact CD2-CD2 4.05Å; L534-F576 HydrophobicContact CD2-CE2 4.08Å; L534-Y585 HydrophobicContact CD1-CD1 3.7Å; L534-Y585 HydrophobicContact CD1-CE1 3.94Å; L534-Y585 HydrophobicContact CD2-CD1 3.67Å; L534-Y585 HydrophobicContact CD2-CD2 4.21Å; L534-Y585 HydrophobicContact CD2-CE1 4Å; L534-Y585 HydrophobicContact CD2-CE2 4.47Å; L534-Y585 HydrophobicContact CD2-CG 3.8Å; L534-Y585 HydrophobicContact CG-CD1 4.37Å | ||
| 535 | S | 84.5 | Confident | 82.2 | Confident | 51 Ų | 51 | 72 Ų | 72 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | trans | -82.4 | 155.2 | 179.9 | 60 | 0 | 0 | 0 | 0 | 112.2 | K537 T538 R539 | S535-K537 PolarHBondContact O-N 2.85Å; S535-T538 VanDerWaalsContact O-CB 3.3Å; S535-T538 WeakPolarHBondContact O-CB 3.25Å; S535-T538 PolarHBondContact O-N 3.2Å; S535-T538 PolarHBondContact OG-OG1 3.47Å; S535-R539 PolarHBondContact O-N 3.46Å | ||
| 536 | V | 84.4 | Confident | 82.5 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.5 | -51.1 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | F514 P517 L523 T538 R539 E540 | F514-V536 HydrophobicContact CE2-CG2 3.89Å; F514-V536 HydrophobicContact CZ-CG2 3.76Å; P517-V536 HydrophobicContact CB-CG1 4.12Å; L523-V536 HydrophobicContact CD1-CG1 4.09Å; V536-T538 PolarHBondContact O-N 2.81Å; V536-T538 VanDerWaalsContact O-N 3.09Å; V536-R539 WeakPolarHBondContact O-CA 3.43Å; V536-R539 WeakPolarHBondContact O-CB 3.24Å; V536-R539 PolarHBondContact O-N 2.75Å; V536-E540 HydrophobicContact CG1-CG 4.33Å; V536-E540 WeakPolarHBondContact O-CG 3.48Å; V536-E540 PolarHBondContact O-N 2.85Å |
| 537 | K | 82.3 | Confident | 82.9 | Confident | 156 Ų | 156 | 70 Ų | 70 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -53.1 | -32.8 | 175.2 | -63.5 | -172.6 | 176.7 | -175.8 | 0 | 114.2 | S535 E540 H541 | S535-K537 PolarHBondContact O-N 2.85Å; K537-E540 WeakPolarHBondContact CA-OE2 3.13Å; K537-H541 PolarHBondContact O-N 2.84Å; K537-H541 VanDerWaalsContact O-N 3.13Å |
| 538 | T | 84.3 | Confident | 83.5 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69 | -41.2 | 174.4 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | L534 S535 V536 C542 K586 | L534-T538 HydrophobicContact CD1-CG2 3.54Å; S535-T538 VanDerWaalsContact O-CB 3.3Å; S535-T538 WeakPolarHBondContact O-CB 3.25Å; S535-T538 PolarHBondContact O-N 3.2Å; S535-T538 PolarHBondContact OG-OG1 3.47Å; V536-T538 PolarHBondContact O-N 2.81Å; V536-T538 VanDerWaalsContact O-N 3.09Å; T538-C542 PolarHBondContact O-N 3.22Å; T538-C542 VanDerWaalsContact O-N 3.14Å; T538-K586 HydrophobicContact CG2-CD 4.49Å |
| 539 | R | 88.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 176.7 | -67.7 | -179 | 63.5 | -158.5 | -7 | 111.4 | L523 R524 E525 L534 S535 V536 C542 L543 E572 Y585 | L523-R539 HydrophobicContact CD1-CB 3.48Å; L523-R539 VanDerWaalsContact CD1-CB 3.48Å; L523-R539 HydrophobicContact CD2-CB 4.05Å; L523-R539 HydrophobicContact CG-CB 4.45Å; R524-R539 PolarHBondContact O-NH2 3.12Å; E525-R539 PolarHBondContact O-NH1 2.57Å; L534-R539 HydrophobicContact CD1-CG 4.26Å; L534-R539 HydrophobicContact CD2-CG 3.83Å; L534-R539 HydrophobicContact CG-CG 3.88Å; S535-R539 PolarHBondContact O-N 3.46Å; V536-R539 WeakPolarHBondContact O-CA 3.43Å; V536-R539 WeakPolarHBondContact O-CB 3.24Å; V536-R539 PolarHBondContact O-N 2.75Å; R539-C542 CarbonylContact O-C 3.54Å; R539-C542 WeakPolarHBondContact O-CB 3.4Å; R539-C542 PolarHBondContact O-N 2.88Å; R539-C542 VanDerWaalsContact O-N 3.16Å; R539-L543 WeakPolarHBondContact O-CB 3.44Å; R539-L543 PolarHBondContact O-N 2.88Å; R539-E572 IonicContact CZ-OE1 2.77Å; R539-E572 IonicContact CZ-OE2 3.65Å; R539-E572 IonicContact NE-OE1 3.28Å; R539-E572 PolarHBondContact NE-OE1 3.31Å; R539-E572 IonicContact NE-OE2 3.4Å; R539-E572 IonicContact NH2-OE1 2.65Å; R539-E572 PolarHBondContact NH2-OE1 2.73Å; R539-E572 IonicContact NH2-OE2 2.67Å; R539-E572 PolarHBondContact NH2-OE2 3.4Å; R539-Y585 HydrophobicContact CG-CE1 4.19Å |
| 540 | E | 87.8 | Confident | 84.2 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.2 | -66.3 | 172.6 | 149.3 | 0 | 0 | 111.7 | C521 L523 V536 K537 C542 L543 Y544 | C521-E540 PolarHBondContact SG-OE1 3.42Å; L523-E540 HydrophobicContact CD1-CG 3.53Å; L523-E540 HydrophobicContact CG-CG 4.21Å; V536-E540 HydrophobicContact CG1-CG 4.33Å; V536-E540 WeakPolarHBondContact O-CG 3.48Å; V536-E540 PolarHBondContact O-N 2.85Å; K537-E540 WeakPolarHBondContact CA-OE2 3.13Å; E540-C542 VanDerWaalsContact C-N 3.31Å; E540-C542 PolarHBondContact O-N 3.44Å; E540-L543 PolarHBondContact O-N 3.44Å; E540-Y544 WeakPolarHBondContact O-CB 3.34Å; E540-Y544 PolarHBondContact O-N 2.86Å |
| 541 | H | 86.3 | Confident | 84 | Confident | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 173.1 | -171.1 | 81.7 | 0 | 0 | 0 | 112.2 | K537 R545 | K537-H541 PolarHBondContact O-N 2.84Å; K537-H541 VanDerWaalsContact O-N 3.13Å; H541-R545 PolarHBondContact NE2-NE 3.16Å; H541-R545 VanDerWaalsContact O-CG 3.29Å; H541-R545 WeakPolarHBondContact O-CG 3.29Å; H541-R545 PolarHBondContact O-N 3.28Å; H541-R545 VanDerWaalsContact O-N 3.15Å |
| 542 | C | 88.9 | Confident | 83.5 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 175.1 | -84.6 | 0 | 0 | 0 | 0 | 112.7 | T538 R539 E540 R545 L546 Y585 I589 | T538-C542 PolarHBondContact O-N 3.22Å; T538-C542 VanDerWaalsContact O-N 3.14Å; R539-C542 CarbonylContact O-C 3.54Å; R539-C542 WeakPolarHBondContact O-CB 3.4Å; R539-C542 PolarHBondContact O-N 2.88Å; R539-C542 VanDerWaalsContact O-N 3.16Å; E540-C542 VanDerWaalsContact C-N 3.31Å; E540-C542 PolarHBondContact O-N 3.44Å; C542-R545 PolarHBondContact O-N 3.39Å; C542-L546 PolarHBondContact O-N 3.17Å; C542-Y585 HydrophobicContact CB-CE1 4.02Å; C542-Y585 WeakPolarHBondContact CB-OH 3.44Å; C542-I589 HydrophobicContact CB-CB 4.42Å; C542-I589 HydrophobicContact CB-CG1 4.12Å; C542-I589 HydrophobicContact CB-CG2 3.86Å |
| 543 | L | 88.8 | Confident | 83.1 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 174.6 | 176.3 | 64.5 | 0 | 0 | 0 | 111.8 | P522 L523 R539 E540 R545 L546 R547 A568 V569 E572 | P522-L543 HydrophobicContact CB-CD2 4.22Å; P522-L543 HydrophobicContact CG-CD2 3.74Å; L523-L543 HydrophobicContact CD2-CB 4.08Å; L523-L543 HydrophobicContact CD2-CD2 3.91Å; L523-L543 HydrophobicContact CG-CD2 4.32Å; R539-L543 WeakPolarHBondContact O-CB 3.44Å; R539-L543 PolarHBondContact O-N 2.88Å; E540-L543 PolarHBondContact O-N 3.44Å; L543-R545 VanDerWaalsContact C-N 3.29Å; L543-R545 PolarHBondContact O-N 3.49Å; L543-L546 PolarHBondContact O-N 3.4Å; L543-L546 VanDerWaalsContact O-N 3.1Å; L543-R547 PolarHBondContact O-N 3.14Å; L543-A568 HydrophobicContact CD1-CB 3.75Å; L543-A568 WeakPolarHBondContact CD1-O 3.27Å; L543-V569 HydrophobicContact CD1-CB 4.32Å; L543-V569 HydrophobicContact CD1-CG2 3.77Å; L543-V569 HydrophobicContact CD2-CG2 3.84Å; L543-V569 HydrophobicContact CG-CG2 4.44Å; L543-E572 HydrophobicContact CB-CG 4.39Å; L543-E572 HydrophobicContact CD1-CB 4.11Å |
| 544 | Y | 87.3 | Confident | 82.5 | Confident | 113 Ų | 113 | 59.8 Ų | 59.8 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -53.9 | -46.6 | 176.3 | 179.1 | -79 | 0 | 0 | 0 | 111 | E540 L546 R547 D548 | E540-Y544 WeakPolarHBondContact O-CB 3.34Å; E540-Y544 PolarHBondContact O-N 2.86Å; Y544-L546 PolarHBondContact O-N 3.34Å; Y544-R547 PolarHBondContact O-N 3.38Å; Y544-D548 WeakPolarHBondContact CE1-OD2 3.43Å; Y544-D548 PolarHBondContact O-N 2.87Å; Y544-D548 PolarHBondContact OH-OD2 3.23Å |
| 545 | R | 87.1 | Confident | 81.2 | Confident | 137 Ų | 137 | 61.7 Ų | 61.7 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.8 | -34.8 | 177.5 | -68.3 | -69.8 | -169.7 | 170.2 | 1.4 | 113.8 | H541 C542 L543 A549 V593 | H541-R545 PolarHBondContact NE2-NE 3.16Å; H541-R545 VanDerWaalsContact O-CG 3.29Å; H541-R545 WeakPolarHBondContact O-CG 3.29Å; H541-R545 PolarHBondContact O-N 3.28Å; H541-R545 VanDerWaalsContact O-N 3.15Å; C542-R545 PolarHBondContact O-N 3.39Å; L543-R545 VanDerWaalsContact C-N 3.29Å; L543-R545 PolarHBondContact O-N 3.49Å; R545-A549 WeakPolarHBondContact O-CB 3.49Å; R545-A549 PolarHBondContact O-N 3.01Å; R545-V593 HydrophobicContact CB-CG2 4.33Å |
| 546 | L | 84.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.3 | -43.9 | 174.2 | -80.2 | 168.4 | 0 | 0 | 0 | 111.7 | C542 L543 Y544 A549 L550 A568 L571 E572 I589 K592 V593 I596 | C542-L546 PolarHBondContact O-N 3.17Å; L543-L546 PolarHBondContact O-N 3.4Å; L543-L546 VanDerWaalsContact O-N 3.1Å; Y544-L546 PolarHBondContact O-N 3.34Å; L546-A549 PolarHBondContact O-N 3.38Å; L546-L550 WeakPolarHBondContact O-CG 3.38Å; L546-L550 PolarHBondContact O-N 3.42Å; L546-A568 HydrophobicContact CB-CB 4.33Å; L546-L571 HydrophobicContact CD1-CB 4.43Å; L546-E572 HydrophobicContact CD1-CB 4.18Å; L546-I589 HydrophobicContact CD1-CD1 3.73Å; L546-I589 HydrophobicContact CD1-CG2 4.08Å; L546-I589 HydrophobicContact CG-CG2 4.04Å; L546-K592 HydrophobicContact CD2-CB 3.93Å; L546-V593 HydrophobicContact CD2-CG2 3.72Å; L546-V593 HydrophobicContact CG-CG2 4.06Å; L546-I596 HydrophobicContact CD2-CD1 4.07Å |
| 547 | R | 84.6 | Confident | 78.1 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 24% | 0.242 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 178.9 | -174.7 | -159.1 | 68.3 | 179.7 | 1.5 | 111.8 | L543 Y544 L550 R551 L565 A568 | L543-R547 PolarHBondContact O-N 3.14Å; Y544-R547 PolarHBondContact O-N 3.38Å; R547-L550 PolarHBondContact O-N 2.95Å; R547-R551 PolarHBondContact O-N 3.32Å; R547-L565 HydrophobicContact CG-CD1 4.32Å; R547-A568 HydrophobicContact CB-CB 3.84Å; R547-A568 HydrophobicContact CG-CB 4.47Å |
| 548 | D | 83.1 | Confident | 76.3 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 178.8 | -76 | 21.2 | 0 | 0 | 0 | 110.6 | Y544 L550 R551 D552 | Y544-D548 WeakPolarHBondContact CE1-OD2 3.43Å; Y544-D548 PolarHBondContact O-N 2.87Å; Y544-D548 PolarHBondContact OH-OD2 3.23Å; D548-L550 VanDerWaalsContact C-N 3.27Å; D548-L550 PolarHBondContact O-N 3.21Å; D548-R551 WeakPolarHBondContact O-CB 3.48Å; D548-R551 PolarHBondContact O-N 2.86Å; D548-R551 VanDerWaalsContact O-N 3.1Å; D548-D552 VanDerWaalsContact O-CG 3.27Å; D548-D552 PolarHBondContact O-N 3.11Å |
| 549 | A | 84.4 | Confident | 74.7 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62 | -30.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | R545 L546 H553 V593 I596 T597 | R545-A549 WeakPolarHBondContact O-CB 3.49Å; R545-A549 PolarHBondContact O-N 3.01Å; L546-A549 PolarHBondContact O-N 3.38Å; A549-H553 PolarHBondContact O-N 3.4Å; A549-V593 HydrophobicContact CB-CG1 3.99Å; A549-I596 HydrophobicContact CB-CG2 4.38Å; A549-I596 VanDerWaalsContact O-CG2 3.29Å; A549-I596 WeakPolarHBondContact O-CG2 3.47Å; A549-T597 HydrophobicContact CB-CG2 4.16Å |
| 550 | L | 81.3 | Confident | 72.9 | Confident | 20 Ų | 20 | 85.7 Ų | 85.7 | 11% | 0.105 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -76.3 | -36.2 | 173.2 | -73.1 | 166.5 | 0 | 0 | 0 | 112.3 | L546 R547 D548 H553 Q554 A568 L571 I596 | L546-L550 WeakPolarHBondContact O-CG 3.38Å; L546-L550 PolarHBondContact O-N 3.42Å; R547-L550 PolarHBondContact O-N 2.95Å; D548-L550 VanDerWaalsContact C-N 3.27Å; D548-L550 PolarHBondContact O-N 3.21Å; L550-H553 PolarHBondContact O-N 3.01Å; L550-Q554 WeakPolarHBondContact O-CG 3.44Å; L550-Q554 PolarHBondContact O-N 3.33Å; L550-A568 HydrophobicContact CD1-CB 3.97Å; L550-L571 HydrophobicContact CD1-CD1 4.19Å; L550-I596 HydrophobicContact CD2-CD1 3.94Å; L550-I596 HydrophobicContact CD2-CG1 4.32Å; L550-I596 HydrophobicContact CD2-CG2 4Å; L550-I596 HydrophobicContact CG-CD1 4.14Å; L550-I596 HydrophobicContact CG-CG2 4.47Å |
| 551 | R | 78.2 | Confident | 71.2 | Confident | 120 Ų | 120 | 85 Ų | 85 | 45% | 0.453 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 172.6 | -79.9 | -177.7 | 156.3 | -154.5 | -10 | 111.3 | R547 D548 H553 Q554 | R547-R551 PolarHBondContact O-N 3.32Å; D548-R551 WeakPolarHBondContact O-CB 3.48Å; D548-R551 PolarHBondContact O-N 2.86Å; D548-R551 VanDerWaalsContact O-N 3.1Å; R551-H553 PolarHBondContact O-N 3.41Å; R551-Q554 PolarHBondContact O-N 3.24Å |
| 552 | D | 71.6 | Confident | 69.7 | Low | 131 Ų | 131 | 84.4 Ų | 84.4 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.8 | -26.5 | 176.6 | -64.8 | -16.7 | 0 | 0 | 0 | 112.5 | D548 | D548-D552 VanDerWaalsContact O-CG 3.27Å; D548-D552 PolarHBondContact O-N 3.11Å |
| 553 | H | 67 | Low | 68.4 | Low | 72 Ų | 72 | 87.4 Ų | 87.4 | 33% | 0.333 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -83.8 | -27.7 | 178.7 | -170.7 | -108.1 | 0 | 0 | 0 | 113.8 | A549 L550 R551 I596 S599 | A549-H553 PolarHBondContact O-N 3.4Å; L550-H553 PolarHBondContact O-N 3.01Å; R551-H553 PolarHBondContact O-N 3.41Å; H553-I596 HydrophobicContact CB-CG2 4Å; H553-S599 VanDerWaalsContact NE2-C 3.27Å; H553-S599 PolarHBondContact NE2-O 3.11Å |
| 554 | Q | 65.4 | Low | 67.4 | Low | 109 Ų | 109 | 87.3 Ų | 87.3 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -89.1 | -12.4 | -172.5 | -75.5 | 178 | -23.6 | 0 | 0 | 114.8 | L550 R551 S564 | L550-Q554 WeakPolarHBondContact O-CG 3.44Å; L550-Q554 PolarHBondContact O-N 3.33Å; R551-Q554 PolarHBondContact O-N 3.24Å; Q554-S564 PolarHBondContact OE1-OG 3.07Å |
| 555 | G | 54.6 | Low | 66.9 | Low | 52 Ų | 52 | 85 Ų | 85 | 54% | 0.536 | 45% | 0.451 | S | S | . | . | trans | 80.9 | 139.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | E557 | G555-E557 PolarHBondContact O-N 3.3Š| ||
| 556 | A | 54.8 | Low | 66.5 | Low | 107 Ų | 107 | 83 Ų | 83 | 88% | 0.884 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -87.1 | 61.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 557 | E | 48.4 | Very low | 66.2 | Low | 186 Ų | 186 | 85.4 Ų | 85.4 | 87% | 0.869 | 47% | 0.465 | S | S | * | . | trans | -138.7 | 63.7 | 162.9 | -73.5 | -156.8 | 171.9 | 0 | 0 | 112.3 | G555 | G555-E557 PolarHBondContact O-N 3.3Š| ||
| 558 | D | 44.5 | Very low | 66.2 | Low | 128 Ų | 128 | 82.4 Ų | 82.4 | 68% | 0.684 | 45% | 0.454 | S | S | * | . | trans | -161.4 | 108 | 142.5 | -130.6 | -22.8 | 0 | 0 | 0 | 111.9 | F560 | D558-F560 PolarHBondContact O-N 2.95Š| ||
| 559 | I | 50.5 | Low | 66.5 | Low | 145 Ų | 145 | 80.9 Ų | 80.9 | 74% | 0.744 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.8 | -168.6 | -69.5 | 175.8 | 0 | 0 | 0 | 112.6 | ||
| 560 | F | 51.6 | Low | 66.6 | Low | 193 Ų | 193 | 83.5 Ų | 83.5 | 85% | 0.846 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | 32.4 | -178.3 | -85.2 | -83.7 | 0 | 0 | 0 | 115.6 | D558 C562 | D558-F560 PolarHBondContact O-N 2.95Å; F560-C562 PolarHBondContact O-N 3.4Å |
| 561 | S | 51.4 | Low | 66.8 | Low | 37 Ų | 37 | 84.8 Ų | 84.8 | 26% | 0.259 | 47% | 0.466 | S | S | . | . | trans | -64.1 | 98.5 | 170.7 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | S563 S564 | S561-S563 PolarHBondContact O-N 3.4Å; S561-S564 PolarHBondContact OG-N 2.93Å; S561-S564 PolarHBondContact OG-OG 3.29Å | ||
| 562 | C | 55.1 | Low | 67.5 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 62% | 0.622 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.9 | -29.7 | 166.2 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | F560 S564 L565 M566 | F560-C562 PolarHBondContact O-N 3.4Å; C562-S564 PolarHBondContact O-N 3.43Å; C562-L565 PolarHBondContact O-N 3.13Å; C562-M566 WeakPolarHBondContact O-CG 3.39Å; C562-M566 PolarHBondContact O-N 3.05Å; C562-M566 VanDerWaalsContact O-N 3.15Å |
| 563 | S | 61.1 | Low | 68.4 | Low | 75 Ų | 75 | 75 Ų | 75 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.3 | -46.7 | -179.4 | 174.1 | 0 | 0 | 0 | 0 | 113.6 | S561 L565 M566 S567 | S561-S563 PolarHBondContact O-N 3.4Å; S563-L565 VanDerWaalsContact C-N 3.3Å; S563-L565 PolarHBondContact O-N 2.96Å; S563-M566 PolarHBondContact O-N 3.21Å; S563-S567 PolarHBondContact O-N 3.01Å; S563-S567 PolarHBondContact O-OG 3.01Å |
| 564 | S | 67.6 | Low | 69.5 | Low | 5 Ų | 5 | 77.8 Ų | 77.8 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.7 | -29.6 | -175.1 | -40.1 | 0 | 0 | 0 | 0 | 112 | Q554 S561 C562 A568 | Q554-S564 PolarHBondContact OE1-OG 3.07Å; S561-S564 PolarHBondContact OG-N 2.93Å; S561-S564 PolarHBondContact OG-OG 3.29Å; C562-S564 PolarHBondContact O-N 3.43Å; S564-A568 WeakPolarHBondContact O-CB 3.5Å; S564-A568 PolarHBondContact O-N 3.45Å |
| 565 | L | 77.4 | Confident | 70.6 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.5 | -47.2 | 173 | -177.8 | 65.7 | 0 | 0 | 0 | 111.2 | R547 C562 S563 S567 A568 V569 | R547-L565 HydrophobicContact CG-CD1 4.32Å; C562-L565 PolarHBondContact O-N 3.13Å; S563-L565 VanDerWaalsContact C-N 3.3Å; S563-L565 PolarHBondContact O-N 2.96Å; L565-S567 VanDerWaalsContact C-N 3.32Å; L565-S567 PolarHBondContact O-N 3.13Å; L565-A568 WeakPolarHBondContact O-CB 3.35Å; L565-A568 PolarHBondContact O-N 3.48Å; L565-A568 VanDerWaalsContact O-N 3.16Å; L565-V569 WeakPolarHBondContact O-CG2 3.45Å; L565-V569 PolarHBondContact O-N 2.68Å |
| 566 | M | 78.1 | Confident | 72.3 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 47% | 0.468 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 177.1 | -64.3 | -134.7 | 73.6 | 0 | 0 | 111.7 | C562 S563 A568 V569 D570 | C562-M566 WeakPolarHBondContact O-CG 3.39Å; C562-M566 PolarHBondContact O-N 3.05Å; C562-M566 VanDerWaalsContact O-N 3.15Å; S563-M566 PolarHBondContact O-N 3.21Å; M566-A568 VanDerWaalsContact C-N 3.32Å; M566-A568 PolarHBondContact O-N 3.11Å; M566-V569 PolarHBondContact O-N 3.45Å; M566-V569 VanDerWaalsContact O-N 3.16Å; M566-D570 PolarHBondContact O-N 3.35Å |
| 567 | S | 79.6 | Confident | 74 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | S563 L565 L571 | S563-S567 PolarHBondContact O-N 3.01Å; S563-S567 PolarHBondContact O-OG 3.01Å; L565-S567 VanDerWaalsContact C-N 3.32Å; L565-S567 PolarHBondContact O-N 3.13Å; S567-L571 WeakPolarHBondContact O-CB 3.4Å; S567-L571 WeakPolarHBondContact O-CG 3.34Å; S567-L571 PolarHBondContact O-N 3.05Å; S567-L571 VanDerWaalsContact O-N 3.14Å |
| 568 | A | 85.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L543 L546 R547 L550 S564 L565 M566 L571 E572 | L543-A568 HydrophobicContact CD1-CB 3.75Å; L543-A568 WeakPolarHBondContact CD1-O 3.27Å; L546-A568 HydrophobicContact CB-CB 4.33Å; R547-A568 HydrophobicContact CB-CB 3.84Å; R547-A568 HydrophobicContact CG-CB 4.47Å; L550-A568 HydrophobicContact CD1-CB 3.97Å; S564-A568 WeakPolarHBondContact O-CB 3.5Å; S564-A568 PolarHBondContact O-N 3.45Å; L565-A568 WeakPolarHBondContact O-CB 3.35Å; L565-A568 PolarHBondContact O-N 3.48Å; L565-A568 VanDerWaalsContact O-N 3.16Å; M566-A568 VanDerWaalsContact C-N 3.32Å; M566-A568 PolarHBondContact O-N 3.11Å; A568-L571 PolarHBondContact O-N 3.47Å; A568-E572 WeakPolarHBondContact O-CB 3.39Å; A568-E572 PolarHBondContact O-N 3.3Å |
| 569 | V | 87.7 | Confident | 77.8 | Confident | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | P522 R524 L543 L565 M566 E572 Y573 | P522-V569 HydrophobicContact CB-CG2 4.39Å; P522-V569 WeakPolarHBondContact O-CG1 3.41Å; P522-V569 VanDerWaalsContact O-CG2 3.24Å; P522-V569 WeakPolarHBondContact O-CG2 3.39Å; R524-V569 HydrophobicContact CB-CG1 4.36Å; R524-V569 HydrophobicContact CG-CG1 3.81Å; L543-V569 HydrophobicContact CD1-CB 4.32Å; L543-V569 HydrophobicContact CD1-CG2 3.77Å; L543-V569 HydrophobicContact CD2-CG2 3.84Å; L543-V569 HydrophobicContact CG-CG2 4.44Å; L565-V569 WeakPolarHBondContact O-CG2 3.45Å; L565-V569 PolarHBondContact O-N 2.68Å; M566-V569 PolarHBondContact O-N 3.45Å; M566-V569 VanDerWaalsContact O-N 3.16Å; V569-E572 PolarHBondContact O-N 3.1Å; V569-Y573 VanDerWaalsContact O-CB 3.32Å; V569-Y573 WeakPolarHBondContact O-CB 3.23Å; V569-Y573 PolarHBondContact O-N 2.82Å |
| 570 | D | 86.9 | Confident | 79.6 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 177.3 | -77.2 | -31.5 | 0 | 0 | 0 | 112.2 | R524 M566 Y573 E574 | R524-D570 IonicContact CZ-OD1 3.13Å; R524-D570 IonicContact NE-OD1 3.1Å; R524-D570 IonicContact NH1-OD1 2.87Å; R524-D570 PolarHBondContact NH1-OD1 2.88Å; R524-D570 IonicContact NH2-OD1 3.79Å; M566-D570 PolarHBondContact O-N 3.35Å; D570-Y573 PolarHBondContact O-N 3.05Å; D570-E574 PolarHBondContact O-N 3.46Å |
| 571 | L | 86.7 | Confident | 81.3 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 175.4 | -73.6 | 170.1 | 0 | 0 | 0 | 113.1 | L546 L550 S567 A568 V575 I596 | L546-L571 HydrophobicContact CD1-CB 4.43Å; L550-L571 HydrophobicContact CD1-CD1 4.19Å; S567-L571 WeakPolarHBondContact O-CB 3.4Å; S567-L571 WeakPolarHBondContact O-CG 3.34Å; S567-L571 PolarHBondContact O-N 3.05Å; S567-L571 VanDerWaalsContact O-N 3.14Å; A568-L571 PolarHBondContact O-N 3.47Å; L571-V575 WeakPolarHBondContact O-CG2 3.26Å; L571-V575 PolarHBondContact O-N 2.82Å; L571-I596 HydrophobicContact CD1-CD1 4.46Å |
| 572 | E | 93.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 172 | -170.9 | -76.8 | 152.1 | 0 | 0 | 110.7 | L523 R539 L543 L546 A568 V569 V575 F576 Y585 I589 | L523-E572 HydrophobicContact CD2-CG 3.96Å; R539-E572 IonicContact CZ-OE1 2.77Å; R539-E572 IonicContact CZ-OE2 3.65Å; R539-E572 IonicContact NE-OE1 3.28Å; R539-E572 PolarHBondContact NE-OE1 3.31Å; R539-E572 IonicContact NE-OE2 3.4Å; R539-E572 IonicContact NH2-OE1 2.65Å; R539-E572 PolarHBondContact NH2-OE1 2.73Å; R539-E572 IonicContact NH2-OE2 2.67Å; R539-E572 PolarHBondContact NH2-OE2 3.4Å; L543-E572 HydrophobicContact CB-CG 4.39Å; L543-E572 HydrophobicContact CD1-CB 4.11Å; L546-E572 HydrophobicContact CD1-CB 4.18Å; A568-E572 WeakPolarHBondContact O-CB 3.39Å; A568-E572 PolarHBondContact O-N 3.3Å; V569-E572 PolarHBondContact O-N 3.1Å; E572-V575 PolarHBondContact O-N 3.35Å; E572-F576 WeakPolarHBondContact O-CB 3.44Å; E572-F576 PolarHBondContact O-N 2.91Å; E572-Y585 WeakPolarHBondContact CG-OH 3.23Å; E572-Y585 WeakPolarHBondContact OE1-CE2 3.38Å; E572-Y585 VanDerWaalsContact OE1-CZ 3.31Å; E572-Y585 PolarHBondContact OE1-OH 3.27Å; E572-I589 HydrophobicContact CG-CD1 4.32Å |
| 573 | Y | 90.4 | Very high | 84.3 | Confident | 44 Ų | 44 | 56 Ų | 56 | 17% | 0.173 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -36.8 | -175.6 | -179.3 | -108 | 0 | 0 | 0 | 112.7 | R524 E525 V569 D570 F576 K577 | R524-Y573 HydrophobicContact CB-CD2 3.58Å; R524-Y573 HydrophobicContact CB-CE2 4.19Å; R524-Y573 HydrophobicContact CB-CG 3.8Å; E525-Y573 HydrophobicContact CB-CE2 4.05Å; E525-Y573 HydrophobicContact CG-CE2 3.82Å; E525-Y573 WeakPolarHBondContact OE1-CE2 3.42Å; E525-Y573 PolarHBondContact OE1-OH 2.97Å; V569-Y573 VanDerWaalsContact O-CB 3.32Å; V569-Y573 WeakPolarHBondContact O-CB 3.23Å; V569-Y573 PolarHBondContact O-N 2.82Å; D570-Y573 PolarHBondContact O-N 3.05Å; Y573-F576 HydrophobicContact CD2-CD1 4.33Å; Y573-F576 HydrophobicContact CE2-CD1 4.49Å; Y573-F576 PolarHBondContact O-N 3.1Å; Y573-K577 HydrophobicContact CE1-CD 4.39Å; Y573-K577 VanDerWaalsContact O-CB 3.28Å; Y573-K577 WeakPolarHBondContact O-CB 3.41Å; Y573-K577 PolarHBondContact O-N 3.15Å |
| 574 | E | 89.2 | Confident | 85.5 | Confident | 131 Ų | 131 | 57.7 Ų | 57.7 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 170.7 | -75.7 | -159.2 | 151 | 0 | 0 | 112.4 | D570 K577 S578 | D570-E574 PolarHBondContact O-N 3.46Å; E574-K577 PolarHBondContact O-N 2.77Å; E574-S578 WeakPolarHBondContact O-CB 3.5Å; E574-S578 PolarHBondContact O-N 2.85Å; E574-S578 PolarHBondContact O-OG 3.43Å |
| 575 | V | 89 | Confident | 86.7 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L571 E572 S578 C579 Y585 A588 I589 K592 | L571-V575 WeakPolarHBondContact O-CG2 3.26Å; L571-V575 PolarHBondContact O-N 2.82Å; E572-V575 PolarHBondContact O-N 3.35Å; V575-S578 WeakPolarHBondContact CA-OG 3.22Å; V575-S578 PolarHBondContact O-N 3.12Å; V575-S578 PolarHBondContact O-OG 3.05Å; V575-S578 VanDerWaalsContact O-OG 3.08Å; V575-C579 VanDerWaalsContact O-CB 3.27Å; V575-C579 WeakPolarHBondContact O-CB 3.32Å; V575-C579 PolarHBondContact O-N 3.38Å; V575-C579 PolarHBondContact O-SG 3.43Å; V575-Y585 HydrophobicContact CG1-CD2 3.95Å; V575-Y585 HydrophobicContact CG1-CE2 4.26Å; V575-A588 HydrophobicContact CG1-CB 3.52Å; V575-I589 HydrophobicContact CB-CD1 3.73Å; V575-I589 HydrophobicContact CB-CG1 4.47Å; V575-I589 HydrophobicContact CG1-CD1 3.65Å; V575-I589 HydrophobicContact CG1-CG1 3.84Å; V575-I589 HydrophobicContact CG2-CD1 4.16Å; V575-K592 HydrophobicContact CG2-CG 4.21Å |
| 576 | F | 90.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 173.9 | 178.8 | -108.9 | 0 | 0 | 0 | 112.2 | E525 S528 R530 I531 L534 E572 Y573 S578 C579 Y585 | E525-F576 HydrophobicContact CB-CE1 4.45Å; S528-F576 WeakPolarHBondContact O-CZ 3.42Å; R530-F576 HydrophobicContact CB-CE1 4.3Å; R530-F576 HydrophobicContact CB-CZ 3.85Å; I531-F576 HydrophobicContact CB-CE2 4.4Å; I531-F576 HydrophobicContact CD1-CD2 3.8Å; I531-F576 HydrophobicContact CD1-CE2 4.05Å; I531-F576 HydrophobicContact CG1-CD2 4.28Å; I531-F576 HydrophobicContact CG1-CE2 4.02Å; L534-F576 HydrophobicContact CD2-CD2 4.05Å; L534-F576 HydrophobicContact CD2-CE2 4.08Å; E572-F576 WeakPolarHBondContact O-CB 3.44Å; E572-F576 PolarHBondContact O-N 2.91Å; Y573-F576 HydrophobicContact CD2-CD1 4.33Å; Y573-F576 HydrophobicContact CE2-CD1 4.49Å; Y573-F576 PolarHBondContact O-N 3.1Å; F576-S578 PolarHBondContact O-N 3.23Å; F576-C579 PolarHBondContact O-N 2.97Å; F576-Y585 HydrophobicContact CB-CD2 4.36Å; F576-Y585 HydrophobicContact CB-CE2 4.01Å; F576-Y585 HydrophobicContact CD2-CE2 4.41Å |
| 577 | K | 89.3 | Confident | 87.7 | Confident | 116 Ų | 116 | 56.5 Ų | 56.5 | 50% | 0.504 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 179 | -169.7 | 172.8 | -175.4 | 171.3 | 0 | 112.6 | R530 Y573 E574 | R530-K577 PolarHBondContact NE-O 3.28Å; R530-K577 PolarHBondContact NH2-O 3.07Å; Y573-K577 HydrophobicContact CE1-CD 4.39Å; Y573-K577 VanDerWaalsContact O-CB 3.28Å; Y573-K577 WeakPolarHBondContact O-CB 3.41Å; Y573-K577 PolarHBondContact O-N 3.15Å; E574-K577 PolarHBondContact O-N 2.77Å |
| 578 | S | 86.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 60% | 0.601 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -77.8 | -27.2 | 179.7 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | E574 V575 F576 | E574-S578 WeakPolarHBondContact O-CB 3.5Å; E574-S578 PolarHBondContact O-N 2.85Å; E574-S578 PolarHBondContact O-OG 3.43Å; V575-S578 WeakPolarHBondContact CA-OG 3.22Å; V575-S578 PolarHBondContact O-N 3.12Å; V575-S578 PolarHBondContact O-OG 3.05Å; V575-S578 VanDerWaalsContact O-OG 3.08Å; F576-S578 PolarHBondContact O-N 3.23Å |
| 579 | C | 87.7 | Confident | 88.5 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 9% | 0.088 | 30% | 0.297 | C | S | . | . | trans | -84.7 | 155.3 | -175.8 | -70.7 | 0 | 0 | 0 | 0 | 114.4 | I531 V575 F576 | I531-C579 HydrophobicContact CD1-CB 3.73Å; V575-C579 VanDerWaalsContact O-CB 3.27Å; V575-C579 WeakPolarHBondContact O-CB 3.32Å; V575-C579 PolarHBondContact O-N 3.38Å; V575-C579 PolarHBondContact O-SG 3.43Å; F576-C579 PolarHBondContact O-N 2.97Å | ||
| 580 | K | 86.8 | Confident | 88.6 | Confident | 177 Ų | 177 | 60.4 Ų | 60.4 | 77% | 0.77 | 32% | 0.321 | S | S | * | . | trans | -128.5 | 1.5 | 180 | -59.7 | -174.6 | -177.2 | -178.9 | 0 | 114.3 | ||||
| 581 | S | 88.5 | Confident | 88.8 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -148.8 | 150 | 174 | 83.9 | 0 | 0 | 0 | 0 | 111.3 | N583 L584 Y585 | S581-N583 VanDerWaalsContact C-N 3.28Å; S581-N583 PolarHBondContact O-N 2.96Å; S581-L584 PolarHBondContact O-N 3.39Å; S581-L584 WeakPolarHBondContact OG-CB 3.33Å; S581-L584 WeakPolarHBondContact OG-CD1 3.45Å; S581-L584 WeakPolarHBondContact OG-CG 3.38Å; S581-L584 PolarHBondContact OG-N 3.5Å; S581-Y585 PolarHBondContact O-N 3.34Å |
| 582 | S | 85.5 | Confident | 88.9 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -39.2 | -177.6 | -173 | 0 | 0 | 0 | 0 | 112.4 | R533 K586 | R533-S582 VanDerWaalsContact O-CB 3.3Å; R533-S582 WeakPolarHBondContact O-CB 3.46Å; R533-S582 PolarHBondContact O-OG 3.19Å; S582-K586 WeakPolarHBondContact O-CG 3.36Å; S582-K586 PolarHBondContact O-N 3.4Å |
| 583 | N | 84.5 | Confident | 88.7 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 68% | 0.679 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -72.4 | -37 | 178.4 | -66.7 | -10.1 | 0 | 0 | 0 | 113.1 | S581 A587 | S581-N583 VanDerWaalsContact C-N 3.28Å; S581-N583 PolarHBondContact O-N 2.96Å; N583-A587 WeakPolarHBondContact O-CB 3.44Å; N583-A587 PolarHBondContact O-N 2.89Å; N583-A587 VanDerWaalsContact O-N 3.13Å |
| 584 | L | 86 | Confident | 88.4 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 57% | 0.571 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.4 | -41.9 | 174.8 | -80 | 166 | 0 | 0 | 0 | 111.1 | S581 A587 A588 | S581-L584 PolarHBondContact O-N 3.39Å; S581-L584 WeakPolarHBondContact OG-CB 3.33Å; S581-L584 WeakPolarHBondContact OG-CD1 3.45Å; S581-L584 WeakPolarHBondContact OG-CG 3.38Å; S581-L584 PolarHBondContact OG-N 3.5Å; L584-A587 PolarHBondContact O-N 3.04Å; L584-A588 WeakPolarHBondContact O-CB 3.31Å; L584-A588 PolarHBondContact O-N 2.83Å |
| 585 | Y | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.8 | -54.5 | 174.7 | 168.7 | -93.4 | 0 | 0 | 0 | 111.7 | I531 L534 R539 C542 E572 V575 F576 S581 A587 A588 I589 | I531-Y585 HydrophobicContact CD1-CD2 4.34Å; I531-Y585 HydrophobicContact CD1-CG 4.4Å; L534-Y585 HydrophobicContact CD1-CD1 3.7Å; L534-Y585 HydrophobicContact CD1-CE1 3.94Å; L534-Y585 HydrophobicContact CD2-CD1 3.67Å; L534-Y585 HydrophobicContact CD2-CD2 4.21Å; L534-Y585 HydrophobicContact CD2-CE1 4Å; L534-Y585 HydrophobicContact CD2-CE2 4.47Å; L534-Y585 HydrophobicContact CD2-CG 3.8Å; L534-Y585 HydrophobicContact CG-CD1 4.37Å; R539-Y585 HydrophobicContact CG-CE1 4.19Å; C542-Y585 HydrophobicContact CB-CE1 4.02Å; C542-Y585 WeakPolarHBondContact CB-OH 3.44Å; E572-Y585 WeakPolarHBondContact CG-OH 3.23Å; E572-Y585 WeakPolarHBondContact OE1-CE2 3.38Å; E572-Y585 VanDerWaalsContact OE1-CZ 3.31Å; E572-Y585 PolarHBondContact OE1-OH 3.27Å; V575-Y585 HydrophobicContact CG1-CD2 3.95Å; V575-Y585 HydrophobicContact CG1-CE2 4.26Å; F576-Y585 HydrophobicContact CB-CD2 4.36Å; F576-Y585 HydrophobicContact CB-CE2 4.01Å; F576-Y585 HydrophobicContact CD2-CE2 4.41Å; S581-Y585 PolarHBondContact O-N 3.34Å; Y585-A587 VanDerWaalsContact C-N 3.3Å; Y585-A587 PolarHBondContact O-N 3.33Å; Y585-A588 PolarHBondContact O-N 3.07Å; Y585-A588 VanDerWaalsContact O-N 3.1Å; Y585-I589 HydrophobicContact CD1-CG1 4.49Å; Y585-I589 HydrophobicContact CD2-CG1 4.31Å; Y585-I589 HydrophobicContact CE1-CG1 4.05Å; Y585-I589 HydrophobicContact CE2-CD1 3.94Å; Y585-I589 HydrophobicContact CE2-CG1 3.88Å; Y585-I589 WeakPolarHBondContact O-CG1 3.48Å; Y585-I589 PolarHBondContact O-N 2.86Å |
| 586 | K | 90.1 | Very high | 88.1 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.9 | -43.9 | 178.3 | -70.9 | 177.2 | -176.8 | -169.4 | 0 | 112.3 | T538 S582 L590 | T538-K586 HydrophobicContact CG2-CD 4.49Å; S582-K586 WeakPolarHBondContact O-CG 3.36Å; S582-K586 PolarHBondContact O-N 3.4Å; K586-L590 WeakPolarHBondContact O-CG 3.43Å; K586-L590 PolarHBondContact O-N 3.37Å; K586-L590 VanDerWaalsContact O-N 3.08Å |
| 587 | A | 87.7 | Confident | 87.5 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 49% | 0.488 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N583 L584 Y585 K591 | N583-A587 WeakPolarHBondContact O-CB 3.44Å; N583-A587 PolarHBondContact O-N 2.89Å; N583-A587 VanDerWaalsContact O-N 3.13Å; L584-A587 PolarHBondContact O-N 3.04Å; Y585-A587 VanDerWaalsContact C-N 3.3Å; Y585-A587 PolarHBondContact O-N 3.33Å; A587-K591 WeakPolarHBondContact O-CB 3.45Å; A587-K591 PolarHBondContact O-N 2.77Å |
| 588 | A | 89.3 | Confident | 87.1 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 26% | 0.256 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V575 L584 Y585 K591 K592 | V575-A588 HydrophobicContact CG1-CB 3.52Å; L584-A588 WeakPolarHBondContact O-CB 3.31Å; L584-A588 PolarHBondContact O-N 2.83Å; Y585-A588 PolarHBondContact O-N 3.07Å; Y585-A588 VanDerWaalsContact O-N 3.1Å; A588-K591 WeakPolarHBondContact O-CB 3.29Å; A588-K591 PolarHBondContact O-N 2.76Å; A588-K592 PolarHBondContact O-N 3.46Å |
| 589 | I | 91.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 172.8 | -63.5 | -69.8 | 0 | 0 | 0 | 110.6 | C542 L546 E572 V575 Y585 K591 K592 V593 | C542-I589 HydrophobicContact CB-CB 4.42Å; C542-I589 HydrophobicContact CB-CG1 4.12Å; C542-I589 HydrophobicContact CB-CG2 3.86Å; L546-I589 HydrophobicContact CD1-CD1 3.73Å; L546-I589 HydrophobicContact CD1-CG2 4.08Å; L546-I589 HydrophobicContact CG-CG2 4.04Å; E572-I589 HydrophobicContact CG-CD1 4.32Å; V575-I589 HydrophobicContact CB-CD1 3.73Å; V575-I589 HydrophobicContact CB-CG1 4.47Å; V575-I589 HydrophobicContact CG1-CD1 3.65Å; V575-I589 HydrophobicContact CG1-CG1 3.84Å; V575-I589 HydrophobicContact CG2-CD1 4.16Å; Y585-I589 HydrophobicContact CD1-CG1 4.49Å; Y585-I589 HydrophobicContact CD2-CG1 4.31Å; Y585-I589 HydrophobicContact CE1-CG1 4.05Å; Y585-I589 HydrophobicContact CE2-CD1 3.94Å; Y585-I589 HydrophobicContact CE2-CG1 3.88Å; Y585-I589 WeakPolarHBondContact O-CG1 3.48Å; Y585-I589 PolarHBondContact O-N 2.86Å; I589-K591 VanDerWaalsContact C-N 3.26Å; I589-K591 PolarHBondContact O-N 3.34Å; I589-K592 WeakPolarHBondContact O-CB 3.35Å; I589-K592 PolarHBondContact O-N 3.17Å; I589-V593 PolarHBondContact O-N 2.93Å |
| 590 | L | 89.6 | Confident | 84.5 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 58% | 0.576 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.9 | -34.5 | 178.7 | -71.2 | 172 | 0 | 0 | 0 | 112.3 | K586 S594 | K586-L590 WeakPolarHBondContact O-CG 3.43Å; K586-L590 PolarHBondContact O-N 3.37Å; K586-L590 VanDerWaalsContact O-N 3.08Å; L590-S594 WeakPolarHBondContact O-CB 3.44Å; L590-S594 PolarHBondContact O-N 3.3Å |
| 591 | K | 90.6 | Very high | 82.5 | Confident | 126 Ų | 126 | 67.4 Ų | 67.4 | 55% | 0.548 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 171.8 | -170.5 | 177.8 | -176.3 | -91.3 | 0 | 111.1 | A587 A588 I589 S594 E595 | A587-K591 WeakPolarHBondContact O-CB 3.45Å; A587-K591 PolarHBondContact O-N 2.77Å; A588-K591 WeakPolarHBondContact O-CB 3.29Å; A588-K591 PolarHBondContact O-N 2.76Å; I589-K591 VanDerWaalsContact C-N 3.26Å; I589-K591 PolarHBondContact O-N 3.34Å; K591-S594 CarbonylContact O-C 3.24Å; K591-S594 PolarHBondContact O-N 2.88Å; K591-S594 VanDerWaalsContact O-N 3.15Å; K591-S594 PolarHBondContact O-OG 3.29Å; K591-E595 IonicContact NZ-OE1 2.73Å; K591-E595 PolarHBondContact NZ-OE1 3.34Å; K591-E595 WeakPolarHBondContact O-CG 3.36Å; K591-E595 PolarHBondContact O-N 3.18Å |
| 592 | K | 88.7 | Confident | 80.2 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 34% | 0.335 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.4 | -77.6 | -74.6 | 166.5 | -153.5 | 0 | 112.8 | L546 V575 A588 I589 S594 E595 I596 | L546-K592 HydrophobicContact CD2-CB 3.93Å; V575-K592 HydrophobicContact CG2-CG 4.21Å; A588-K592 PolarHBondContact O-N 3.46Å; I589-K592 WeakPolarHBondContact O-CB 3.35Å; I589-K592 PolarHBondContact O-N 3.17Å; K592-S594 VanDerWaalsContact C-N 3.28Å; K592-S594 PolarHBondContact O-N 3.17Å; K592-E595 WeakPolarHBondContact CE-OE2 3.48Å; K592-E595 IonicContact NZ-OE2 3.73Å; K592-E595 PolarHBondContact NZ-OE2 3.4Å; K592-E595 WeakPolarHBondContact O-CB 3.23Å; K592-E595 PolarHBondContact O-N 3.31Å; K592-I596 WeakPolarHBondContact O-CG1 3.46Å; K592-I596 PolarHBondContact O-N 2.94Å |
| 593 | V | 88.9 | Confident | 77.7 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -55.3 | -43.1 | 171 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | R545 L546 A549 I589 E595 T597 | R545-V593 HydrophobicContact CB-CG2 4.33Å; L546-V593 HydrophobicContact CD2-CG2 3.72Å; L546-V593 HydrophobicContact CG-CG2 4.06Å; A549-V593 HydrophobicContact CB-CG1 3.99Å; I589-V593 PolarHBondContact O-N 2.93Å; V593-E595 VanDerWaalsContact C-N 3.33Å; V593-E595 PolarHBondContact O-N 3.32Å; V593-T597 WeakPolarHBondContact O-CG2 3.35Å; V593-T597 PolarHBondContact O-N 3.42Å; V593-T597 VanDerWaalsContact O-N 3.1Å; V593-T597 PolarHBondContact O-OG1 3.43Å |
| 594 | S | 85.1 | Confident | 75.4 | Confident | 42 Ų | 42 | 83.4 Ų | 83.4 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.8 | -18.5 | 177.2 | 83.2 | 0 | 0 | 0 | 0 | 115.2 | L590 K591 K592 T597 K598 | L590-S594 WeakPolarHBondContact O-CB 3.44Å; L590-S594 PolarHBondContact O-N 3.3Å; K591-S594 CarbonylContact O-C 3.24Å; K591-S594 PolarHBondContact O-N 2.88Å; K591-S594 VanDerWaalsContact O-N 3.15Å; K591-S594 PolarHBondContact O-OG 3.29Å; K592-S594 VanDerWaalsContact C-N 3.28Å; K592-S594 PolarHBondContact O-N 3.17Å; S594-T597 WeakPolarHBondContact CA-OG1 3.47Å; S594-K598 VanDerWaalsContact O-CD 3.25Å; S594-K598 WeakPolarHBondContact O-CD 3.26Å; S594-K598 VanDerWaalsContact O-CG 3.23Å; S594-K598 WeakPolarHBondContact O-CG 3.36Å |
| 595 | E | 86.8 | Confident | 72.8 | Confident | 67 Ų | 67 | 87.4 Ų | 87.4 | 31% | 0.313 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.5 | -49.7 | 173.2 | -75.7 | 168.8 | -174.2 | 0 | 0 | 109.3 | K591 K592 V593 T597 K598 S599 | K591-E595 IonicContact NZ-OE1 2.73Å; K591-E595 PolarHBondContact NZ-OE1 3.34Å; K591-E595 WeakPolarHBondContact O-CG 3.36Å; K591-E595 PolarHBondContact O-N 3.18Å; K592-E595 WeakPolarHBondContact CE-OE2 3.48Å; K592-E595 IonicContact NZ-OE2 3.73Å; K592-E595 PolarHBondContact NZ-OE2 3.4Å; K592-E595 WeakPolarHBondContact O-CB 3.23Å; K592-E595 PolarHBondContact O-N 3.31Å; V593-E595 VanDerWaalsContact C-N 3.33Å; V593-E595 PolarHBondContact O-N 3.32Å; E595-T597 PolarHBondContact O-N 2.94Å; E595-K598 PolarHBondContact O-N 3.5Å; E595-S599 PolarHBondContact O-N 3.24Å; E595-S599 PolarHBondContact O-OG 2.94Å |
| 596 | I | 84.3 | Confident | 69.8 | Low | 20 Ų | 20 | 91 Ų | 91 | 10% | 0.103 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 179.3 | -63.8 | 159.3 | 0 | 0 | 0 | 111.2 | L546 A549 L550 H553 L571 K592 K598 S599 | L546-I596 HydrophobicContact CD2-CD1 4.07Å; A549-I596 HydrophobicContact CB-CG2 4.38Å; A549-I596 VanDerWaalsContact O-CG2 3.29Å; A549-I596 WeakPolarHBondContact O-CG2 3.47Å; L550-I596 HydrophobicContact CD2-CD1 3.94Å; L550-I596 HydrophobicContact CD2-CG1 4.32Å; L550-I596 HydrophobicContact CD2-CG2 4Å; L550-I596 HydrophobicContact CG-CD1 4.14Å; L550-I596 HydrophobicContact CG-CG2 4.47Å; H553-I596 HydrophobicContact CB-CG2 4Å; L571-I596 HydrophobicContact CD1-CD1 4.46Å; K592-I596 WeakPolarHBondContact O-CG1 3.46Å; K592-I596 PolarHBondContact O-N 2.94Å; I596-K598 PolarHBondContact O-N 2.93Å; I596-S599 PolarHBondContact O-N 3.45Å; I596-S599 VanDerWaalsContact O-N 3.15Å; I596-S599 PolarHBondContact O-OG 3.24Å |
| 597 | T | 79.2 | Confident | 66.9 | Low | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.3 | 179.6 | 47 | 0 | 0 | 0 | 0 | 114.2 | A549 V593 S594 E595 | A549-T597 HydrophobicContact CB-CG2 4.16Å; V593-T597 WeakPolarHBondContact O-CG2 3.35Å; V593-T597 PolarHBondContact O-N 3.42Å; V593-T597 VanDerWaalsContact O-N 3.1Å; V593-T597 PolarHBondContact O-OG1 3.43Å; S594-T597 WeakPolarHBondContact CA-OG1 3.47Å; E595-T597 PolarHBondContact O-N 2.94Å |
| 598 | K | 79.6 | Confident | 64 | Low | 171 Ų | 171 | 95.7 Ų | 95.7 | 74% | 0.743 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -16.5 | 175.3 | -76.9 | 176.3 | -171.8 | 166.4 | 0 | 113.7 | S594 E595 I596 A600 | S594-K598 VanDerWaalsContact O-CD 3.25Å; S594-K598 WeakPolarHBondContact O-CD 3.26Å; S594-K598 VanDerWaalsContact O-CG 3.23Å; S594-K598 WeakPolarHBondContact O-CG 3.36Å; E595-K598 PolarHBondContact O-N 3.5Å; I596-K598 PolarHBondContact O-N 2.93Å; K598-A600 VanDerWaalsContact C-N 3.33Å |
| 599 | S | 61.3 | Low | 61 | Low | 71 Ų | 71 | 101.5 Ų | 101.5 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -88.8 | 7.3 | 177 | 43.7 | 0 | 0 | 0 | 0 | 113.9 | H553 E595 I596 | H553-S599 VanDerWaalsContact NE2-C 3.27Å; H553-S599 PolarHBondContact NE2-O 3.11Å; E595-S599 PolarHBondContact O-N 3.24Å; E595-S599 PolarHBondContact O-OG 2.94Å; I596-S599 PolarHBondContact O-N 3.45Å; I596-S599 VanDerWaalsContact O-N 3.15Å; I596-S599 PolarHBondContact O-OG 3.24Å |
| 600 | A | 58.3 | Low | 58 | Low | 47 Ų | 47 | 108.6 Ų | 108.6 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -73.7 | 127.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K598 | K598-A600 VanDerWaalsContact C-N 3.33Š|
| 601 | P | 45.9 | Very low | 55.1 | Low | 118 Ų | 118 | 107.8 Ų | 107.8 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 133.4 | 173.5 | 28.8 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 602 | Q | 38.8 | Very low | 52.2 | Low | 188 Ų | 188 | 112 Ų | 112 | 88% | 0.879 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 123.5 | 171.8 | -65.2 | -162.5 | -25.1 | 0 | 0 | 109.5 | ||
| 603 | T | 34 | Very low | 49.2 | Very low | 141 Ų | 141 | 115.6 Ų | 115.6 | 87% | 0.865 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 125.7 | 167.6 | 19.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 604 | E | 36.3 | Very low | 46.2 | Very low | 193 Ų | 193 | 120.4 Ų | 120.4 | 90% | 0.902 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 126.2 | 170.3 | -66.1 | -166.1 | 158 | 0 | 0 | 110 | ||
| 605 | E | 30.8 | Very low | 43.4 | Very low | 192 Ų | 192 | 127 Ų | 127 | 90% | 0.897 | 70% | 0.699 | S | S | * | * | trans | -131.7 | 119.6 | 163.3 | -74.7 | -164.7 | 148.9 | 0 | 0 | 111.9 | ||||
| 606 | G | 28.6 | Very low | 40.5 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | 75.4 | 89 | 103 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 607 | S | 29.5 | Very low | 37.9 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -70 | 127.7 | 160.9 | 162 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 608 | S | 26.4 | Very low | 35.3 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -153.3 | 161.2 | 151.7 | 62.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 609 | N | 28.2 | Very low | 32.9 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -94.5 | 163.5 | -167.6 | -75.9 | -23.7 | 0 | 0 | 0 | 114.1 | ||||
| 610 | D | 26.9 | Very low | 31.3 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 99.9 | 144.9 | 131.3 | -126 | -25 | 0 | 0 | 0 | 122 | ||||
| 611 | S | 29.9 | Very low | 29.7 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | trans | 71.8 | 118.3 | 151.8 | 64.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 612 | R | 27.9 | Very low | 28.7 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | 60.5 | 115.1 | 132.6 | -78.1 | -175.4 | 161.4 | 132.7 | -0.9 | 122.9 | ||||
| 613 | E | 27.5 | Very low | 28 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | 57.6 | 129.9 | 118.3 | -64.4 | 178.2 | 135.1 | 0 | 0 | 122 | |||||
| 614 | T | 26.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 62.1 | 127.6 | 150.6 | 51 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 615 | E | 25.7 | Very low | 27 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | -163.8 | 171 | 75.2 | -102.7 | -167.3 | 172 | 0 | 0 | 116.6 | |||||
| 616 | T | 24.9 | Very low | 26.6 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -23.5 | 158.4 | 171.7 | 12.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 617 | K | 30.7 | Very low | 26.5 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -43.9 | 152.8 | 160.7 | -66.6 | 168.9 | 171.2 | 172.1 | 0 | 113.7 | ||||
| 618 | Y | 24.2 | Very low | 26.4 | Very low | 225 Ų | 225 | 147.9 Ų | 147.9 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | -170.5 | 157.3 | 103.5 | -108.2 | -82.7 | 0 | 0 | 0 | 112.3 | |||||
| 619 | K | 29.4 | Very low | 26.6 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -81.3 | 166.8 | 171.5 | -84.8 | -176.1 | 165 | -166.6 | 0 | 111.3 | ||||
| 620 | P | 27.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | -134.2 | 166.5 | 112.1 | 35.6 | -25.4 | 0 | 0 | 0 | 115.3 | |||||
| 621 | D | 23.5 | Very low | 27.1 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -80.6 | -179.6 | 175.4 | -43.2 | -76.4 | 0 | 0 | 0 | 110.7 | ||||
| 622 | G | 24.6 | Very low | 27.2 | Very low | 67 Ų | 67 | 154.8 Ų | 154.8 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | cis | 166.3 | 159.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 623 | N | 24.6 | Very low | 27.7 | Very low | 171 Ų | 171 | 154 Ų | 154 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | 82 | 138.4 | 164.3 | -76.6 | 1.2 | 0 | 0 | 0 | 124.8 | ||||
| 624 | S | 25 | Very low | 28 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 83.2 | 121 | 160.2 | -103.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 625 | S | 25 | Very low | 28.1 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | cis | 148.5 | 116.7 | -6 | 46.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 626 | C | 22.3 | Very low | 28.4 | Very low | 139 Ų | 139 | 151 Ų | 151 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | -163.2 | 154 | 147.2 | -130.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 627 | L | 26.4 | Very low | 28.5 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -110.9 | 174.8 | -157.2 | -77.3 | 161.6 | 0 | 0 | 0 | 114.8 | ||||
| 628 | Y | 27.7 | Very low | 28.5 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 89.8 | 147.2 | 167.4 | -62.4 | -81.5 | 0 | 0 | 0 | 118.6 | ||||
| 629 | P | 29.9 | Very low | 29.1 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -128.1 | 172.8 | -48.1 | 29.5 | -11.4 | 0 | 0 | 0 | 113.7 | E631 | P629-E631 PolarHBondContact O-N 2.92Å; P629-E631 VanDerWaalsContact O-N 3.12Å | ||
| 630 | E | 31.2 | Very low | 29.4 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -89.1 | 36.6 | -153.7 | -153.1 | 162 | -166.1 | 0 | 0 | 116.3 | ||||
| 631 | E | 33.8 | Very low | 29.6 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -110.5 | 12.3 | -172.6 | -79.4 | -163.2 | 147.8 | 0 | 0 | 116.7 | P629 | P629-E631 PolarHBondContact O-N 2.92Å; P629-E631 VanDerWaalsContact O-N 3.12Å |
| 632 | L | 33.7 | Very low | 29.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -128.5 | 17.2 | -177.1 | -84.5 | 171.3 | 0 | 0 | 0 | 116.8 | G634 | L632-G634 PolarHBondContact O-N 3.39Å; L632-G634 VanDerWaalsContact O-N 3.16Å | ||
| 633 | Q | 37 | Very low | 30.1 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -89.2 | 72.7 | 174.4 | -116.4 | 171.6 | 9.9 | 0 | 0 | 112.3 | ||||
| 634 | G | 33.4 | Very low | 30.2 | Very low | 55 Ų | 55 | 144.6 Ų | 144.6 | 57% | 0.567 | 79% | 0.789 | S | S | * | * | trans | -131.4 | -4.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | L632 | L632-G634 PolarHBondContact O-N 3.39Å; L632-G634 VanDerWaalsContact O-N 3.16Å | ||
| 635 | F | 29.4 | Very low | 30.4 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -147.2 | 102.7 | 179 | -73.8 | -75.6 | 0 | 0 | 0 | 113.6 | ||||
| 636 | T | 31.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 155.8 Ų | 155.8 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | -68.7 | 131.5 | 160.1 | 35.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 637 | S | 28.2 | Very low | 30.7 | Very low | 74 Ų | 74 | 158.7 Ų | 158.7 | 52% | 0.517 | 80% | 0.801 | S | S | . | * | trans | -70.4 | 135.8 | -179.1 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | S639 Q640 | S637-S639 PolarHBondContact O-N 3.08Å; S637-S639 PolarHBondContact OG-N 3.47Å; S637-S639 PolarHBondContact OG-OG 2.88Å; S637-Q640 PolarHBondContact O-N 2.85Å | ||
| 638 | A | 29.7 | Very low | 30.7 | Very low | 90 Ų | 90 | 163.2 Ų | 163.2 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -64 | -1.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 639 | S | 37.3 | Very low | 30.7 | Very low | 93 Ų | 93 | 159.3 Ų | 159.3 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -79.4 | -12.4 | 176.1 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | S637 | S637-S639 PolarHBondContact O-N 3.08Å; S637-S639 PolarHBondContact OG-N 3.47Å; S637-S639 PolarHBondContact OG-OG 2.88Å |
| 640 | Q | 34.9 | Very low | 30.5 | Very low | 167 Ų | 167 | 157.4 Ų | 157.4 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | G | 310 helix | trans | -94.1 | 1 | -177.6 | -76.9 | -178.7 | -24.4 | 0 | 0 | 115.5 | S637 | S637-Q640 PolarHBondContact O-N 2.85Š|
| 641 | I | 32.2 | Very low | 30.4 | Very low | 138 Ų | 138 | 153.9 Ų | 153.9 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -107.1 | -9.1 | -176.2 | -64.8 | 179.5 | 0 | 0 | 0 | 113.4 | ||
| 642 | Y | 30.5 | Very low | 30 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -127.2 | 70.5 | -176.7 | -78.6 | -78.7 | 0 | 0 | 0 | 114.2 | ||||
| 643 | S | 29.3 | Very low | 29.6 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -145.4 | 75.3 | 159.8 | -165.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 644 | M | 25.5 | Very low | 29.3 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -153.9 | 86.3 | 158.5 | -88.3 | -54.3 | -179.9 | 0 | 0 | 110 | ||||
| 645 | K | 28.8 | Very low | 28.9 | Very low | 208 Ų | 208 | 153.6 Ų | 153.6 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -105.8 | 109.5 | 159.3 | -84 | -176.3 | 176 | 176.9 | 0 | 108 | ||||
| 646 | R | 29.4 | Very low | 28.8 | Very low | 239 Ų | 239 | 149.5 Ų | 149.5 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -72.6 | 136.2 | 174.2 | -74.9 | -173 | 174.4 | -175.3 | -1.9 | 110.7 | ||||
| 647 | K | 25.1 | Very low | 28.8 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -59 | 137.2 | 171.1 | -84.9 | 175.1 | 171.5 | 173.9 | 0 | 109.8 | V649 | K647-V649 PolarHBondContact O-N 2.97Š| ||
| 648 | R | 26.1 | Very low | 28.7 | Very low | 245 Ų | 245 | 152.3 Ų | 152.3 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -78.3 | 111.2 | 168.4 | 179.3 | -176.5 | -71.5 | 176.6 | -5 | 108.2 | ||||
| 649 | V | 27.7 | Very low | 28.7 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 128.2 | 169.5 | -170.9 | 0 | 0 | 0 | 0 | 107.8 | K647 | K647-V649 PolarHBondContact O-N 2.97Š|
| 650 | G | 26.2 | Very low | 28.5 | Very low | 73 Ų | 73 | 159.3 Ų | 159.3 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 123 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 651 | A | 28.4 | Very low | 28.4 | Very low | 112 Ų | 112 | 159.8 Ų | 159.8 | 93% | 0.926 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 130.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 652 | G | 25.9 | Very low | 28.6 | Very low | 74 Ų | 74 | 155.5 Ų | 155.5 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -137.5 | 143.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 653 | Q | 25.9 | Very low | 28.9 | Very low | 202 Ų | 202 | 148.2 Ų | 148.2 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | trans | -160.7 | 156.1 | 140.1 | -109.9 | -178.6 | 6.4 | 0 | 0 | 109.4 | ||||
| 654 | R | 30.3 | Very low | 29.5 | Very low | 252 Ų | 252 | 150.6 Ų | 150.6 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 122.2 | 179 | -65.2 | -179.7 | -178.8 | -176.1 | 1.5 | 109.1 | ||
| 655 | G | 25.5 | Very low | 30.3 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 144.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 656 | S | 26.8 | Very low | 31.1 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76 | 160.4 | -176.7 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 657 | S | 30.8 | Very low | 31.5 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 152.6 | -179 | 49.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 658 | N | 27.2 | Very low | 31.9 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -137.2 | 154.8 | 141.9 | -92.3 | -33.5 | 0 | 0 | 0 | 110.3 | ||||
| 659 | C | 30 | Very low | 32.2 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 139.5 | -169.2 | -161.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 660 | F | 31.9 | Very low | 32.2 | Very low | 201 Ų | 201 | 130.6 Ų | 130.6 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 125.6 | 175.7 | -78.3 | -89.6 | 0 | 0 | 0 | 111.4 | ||
| 661 | Q | 32.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 153.9 | 163.2 | -72.8 | 171.1 | -24 | 0 | 0 | 110.4 | ||
| 662 | S | 35.6 | Very low | 32.3 | Very low | 49 Ų | 49 | 132.5 Ų | 132.5 | 34% | 0.343 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -93.5 | 154.7 | -178.8 | 80.9 | 0 | 0 | 0 | 0 | 111.7 | K664 D665 | S662-K664 PolarHBondContact O-N 2.94Å; S662-K664 VanDerWaalsContact O-N 3.12Å; S662-K664 PolarHBondContact OG-N 3.09Å; S662-D665 WeakPolarHBondContact CA-OD2 3.28Å; S662-D665 WeakPolarHBondContact CB-OD2 3.48Å; S662-D665 PolarHBondContact N-OD2 3.29Å; S662-D665 WeakPolarHBondContact O-CB 3.46Å; S662-D665 PolarHBondContact O-N 3.17Å; S662-D665 VanDerWaalsContact OG-CG 3.31Å; S662-D665 PolarHBondContact OG-OD2 3.18Å |
| 663 | A | 38.5 | Very low | 32.4 | Very low | 58 Ų | 58 | 138.5 Ų | 138.5 | 48% | 0.479 | 77% | 0.768 | S | S | . | * | G | 310 helix | trans | -63 | -19 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D665 L666 | A663-D665 VanDerWaalsContact C-N 3.27Å; A663-D665 PolarHBondContact O-N 2.89Å; A663-L666 PolarHBondContact O-N 3.32Å |
| 664 | K | 40.3 | Very low | 32.5 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -67.1 | -28 | 173.8 | -169.2 | 177.9 | 179.1 | -178.2 | 0 | 112.6 | S662 L666 | S662-K664 PolarHBondContact O-N 2.94Å; S662-K664 VanDerWaalsContact O-N 3.12Å; S662-K664 PolarHBondContact OG-N 3.09Å; K664-L666 VanDerWaalsContact C-N 3.26Å; K664-L666 PolarHBondContact O-N 3.3Å |
| 665 | D | 43.7 | Very low | 32.3 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 60% | 0.599 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -80 | -9.5 | -177.8 | -51.2 | -53.3 | 0 | 0 | 0 | 112.4 | S662 A663 | S662-D665 WeakPolarHBondContact CA-OD2 3.28Å; S662-D665 WeakPolarHBondContact CB-OD2 3.48Å; S662-D665 PolarHBondContact N-OD2 3.29Å; S662-D665 WeakPolarHBondContact O-CB 3.46Å; S662-D665 PolarHBondContact O-N 3.17Å; S662-D665 VanDerWaalsContact OG-CG 3.31Å; S662-D665 PolarHBondContact OG-OD2 3.18Å; A663-D665 VanDerWaalsContact C-N 3.27Å; A663-D665 PolarHBondContact O-N 2.89Å |
| 666 | L | 45.6 | Very low | 32.4 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -96.8 | 0.9 | 178.5 | -71.1 | 170.1 | 0 | 0 | 0 | 114.2 | A663 K664 | A663-L666 PolarHBondContact O-N 3.32Å; K664-L666 VanDerWaalsContact C-N 3.26Å; K664-L666 PolarHBondContact O-N 3.3Å |
| 667 | L | 37.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 67% | 0.665 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -122.2 | 14.6 | -164.9 | -70 | 176.5 | 0 | 0 | 0 | 115.9 | ||
| 668 | N | 33.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -109.8 | 121.8 | 172.1 | -78.4 | -20.5 | 0 | 0 | 0 | 111.4 | V670 | N668-V670 PolarHBondContact O-N 2.84Š| ||
| 669 | P | 31.8 | Very low | 32.1 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | trans | -77.7 | 111.4 | 174.7 | 30.8 | -31.9 | 0 | 0 | 0 | 110.4 | ||||
| 670 | V | 28.3 | Very low | 31.8 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -88.3 | 120.4 | 165.3 | 179 | 0 | 0 | 0 | 0 | 108.3 | N668 S672 | N668-V670 PolarHBondContact O-N 2.84Å; V670-S672 PolarHBondContact O-N 3.13Å | ||
| 671 | S | 31 | Very low | 31.5 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | -60.7 | 122.7 | 175.7 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 672 | S | 26.5 | Very low | 31.2 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | -107.4 | 114.4 | 168.3 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | V670 | V670-S672 PolarHBondContact O-N 3.13Š| ||
| 673 | K | 27.1 | Very low | 30.7 | Very low | 200 Ų | 200 | 129.2 Ų | 129.2 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | trans | -74.5 | 143.1 | 155.4 | -82.5 | -175 | 172.9 | -177.6 | 0 | 108.5 | ||||
| 674 | A | 27.6 | Very low | 30.1 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -60.4 | 151.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 675 | T | 27.5 | Very low | 29.4 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | -154.7 | 135 | 120 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 676 | E | 27.2 | Very low | 28.6 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -78.7 | 144.2 | 170.6 | -59.8 | 169.9 | 126.7 | 0 | 0 | 110.8 | ||||
| 677 | N | 28.1 | Very low | 27.6 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | 174.2 | 147.5 | 128.8 | -96.1 | -42.5 | 0 | 0 | 0 | 113.7 | |||||
| 678 | G | 25.7 | Very low | 27.1 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 84.9 | 76.6 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 679 | G | 24.6 | Very low | 26.9 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | 55.7 | 138.3 | 110.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 680 | F | 23.6 | Very low | 26.6 | Very low | 197 Ų | 197 | 126.7 Ų | 126.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 90.1 | 127.3 | 138.6 | -93.4 | -121.8 | 0 | 0 | 0 | 122.3 | ||||
| 681 | I | 26.3 | Very low | 26.5 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | 75.7 | 100.3 | 146.7 | -66.2 | 179.2 | 0 | 0 | 0 | 120.3 | ||||
| 682 | A | 25.6 | Very low | 26.2 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | 57.6 | 140.3 | 112.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 683 | D | 25 | Very low | 26.1 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | 69.8 | 113.4 | 134.9 | -78.9 | -11.3 | 0 | 0 | 0 | 123.8 | ||||
| 684 | S | 25.9 | Very low | 26 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 89.9 | 123.3 | 120.1 | 76.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 685 | S | 25.8 | Very low | 26 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 61.8 | 126.3 | 134.8 | 61.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 686 | A | 26.3 | Very low | 25.9 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 91.4 | 124.3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 687 | E | 25.6 | Very low | 25.9 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | 64.1 | 104.9 | 134.9 | -66.3 | -168.5 | 144.9 | 0 | 0 | 122.7 | ||||
| 688 | S | 27.4 | Very low | 25.8 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | 78.9 | 149.5 | 119.6 | 75.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 689 | D | 27.5 | Very low | 26 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 89.8 | 99.9 | 149.5 | -84.3 | 15.3 | 0 | 0 | 0 | 123.6 | ||||
| 690 | V | 25.9 | Very low | 26.1 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | 85.6 | 139.4 | 114.9 | 168.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 691 | K | 26.1 | Very low | 26.3 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | trans | 75.5 | 143.2 | 164.3 | -81.8 | 158.5 | -159 | 160.6 | 0 | 116.6 | ||||
| 692 | R | 24.1 | Very low | 26.3 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | cis | -174 | 170 | -8 | -160.9 | -177.2 | -157.3 | 176.7 | 4.2 | 110.1 | ||||
| 693 | I | 26.1 | Very low | 26.4 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | 95.7 | 109 | 155 | -55.7 | 175.5 | 0 | 0 | 0 | 118.4 | ||||
| 694 | R | 24.7 | Very low | 26.5 | Very low | 232 Ų | 232 | 136.6 Ų | 136.6 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | 33.8 | 142.8 | 133.2 | -66.2 | 176.5 | 166.6 | 168.7 | -5.8 | 119.5 | ||||
| 695 | V | 26.8 | Very low | 26.6 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | -152.9 | 136.7 | 67.9 | 159.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 696 | K | 26.3 | Very low | 26.6 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | trans | 32.7 | 122.6 | 148.6 | -65.6 | -177.6 | 154 | -95.1 | 0 | 121.4 | ||||
| 697 | E | 26.7 | Very low | 26.6 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | 77.5 | 134.8 | 100.3 | -63.3 | 157.1 | -165.7 | 0 | 0 | 112.9 | |||||
| 698 | A | 26.7 | Very low | 26.5 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | cis | -138.4 | 166.2 | 37.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 699 | E | 29.1 | Very low | 26.4 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 173 | 171.8 | -54.3 | 162.6 | 135.5 | 0 | 0 | 110.1 | ||||
| 700 | T | 27.3 | Very low | 26.2 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | cis | -167.1 | 167.9 | 29.7 | -16.8 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 701 | A | 26.8 | Very low | 26.3 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | cis | -152.1 | 167.1 | 17.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 702 | L | 27.2 | Very low | 26.4 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -99 | 144.4 | -175.3 | -170.4 | 83.6 | 0 | 0 | 0 | 111.7 | T704 | L702-T704 HydrophobicContact CD2-CG2 4.22Å; L702-T704 HydrophobicContact CG-CG2 4.31Å | ||
| 703 | S | 27.2 | Very low | 27.1 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -170.9 | 117.2 | 133.1 | -153.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 704 | T | 27.1 | Very low | 27.1 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 58% | 0.583 | 78% | 0.779 | S | S | * | * | 50.5 | 135.5 | 69.9 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | L702 | L702-T704 HydrophobicContact CD2-CG2 4.22Å; L702-T704 HydrophobicContact CG-CG2 4.31Å | |||
| 705 | R | 28.5 | Very low | 27.3 | Very low | 216 Ų | 216 | 126.4 Ų | 126.4 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | cis | -167.5 | 164.6 | 7.5 | -130.6 | 172.1 | 148.7 | -171.6 | -7.4 | 108.9 | ||||
| 706 | T | 26.2 | Very low | 27.3 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 30.6 | 146.8 | 147.8 | 53.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 707 | G | 24.9 | Very low | 27.4 | Very low | 72 Ų | 72 | 122.4 Ų | 122.4 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | 162 | 167.2 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 708 | A | 24.7 | Very low | 27.6 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | 20.1 | 127.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 709 | G | 23.7 | Very low | 28 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 87.3 | 157.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 710 | A | 24.9 | Very low | 28.3 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | cis | -164.2 | 159.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 711 | V | 26.7 | Very low | 29.1 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 66.6 | 143.3 | 152.9 | 178.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 712 | S | 29.1 | Very low | 30.1 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -86.5 | 174.4 | -176.8 | -36.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 713 | P | 39.1 | Very low | 30.9 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -155.2 | 162.4 | 75.7 | 39.2 | -17.8 | 0 | 0 | 0 | 119.4 | |||||
| 714 | A | 26.4 | Very low | 31.9 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 37.5 | 121 | 147.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 715 | K | 28.1 | Very low | 32.8 | Very low | 207 Ų | 207 | 133.7 Ų | 133.7 | 90% | 0.9 | 77% | 0.773 | S | S | * | * | -173.7 | 163.7 | 104.1 | -101.6 | 171.8 | -175.5 | 176.2 | 0 | 113.8 | |||||
| 716 | S | 26.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -71.6 | 134.9 | -174.1 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 717 | G | 28.8 | Very low | 34.4 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -165.9 | 112.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.4 | V719 | G717-V719 PolarHBondContact O-N 2.97Š| ||
| 718 | R | 31.6 | Very low | 35 | Very low | 255 Ų | 255 | 131.7 Ų | 131.7 | 96% | 0.962 | 76% | 0.755 | S | S | * | * | trans | -85.5 | 94.7 | -174.6 | -156.8 | -177.3 | -164.2 | -178.9 | 5.1 | 110 | ||||
| 719 | V | 34.8 | Very low | 35.7 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -97 | 128.1 | 179 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | G717 | G717-V719 PolarHBondContact O-N 2.97Š|
| 720 | M | 33.8 | Very low | 36.6 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 150.3 | -176.4 | -55.7 | -149.5 | 86.5 | 0 | 0 | 112.7 | ||
| 721 | S | 46 | Very low | 37.3 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 52% | 0.524 | 73% | 0.731 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 149.3 | -177.5 | 83 | 0 | 0 | 0 | 0 | 113.2 | K723 Q724 | S721-K723 PolarHBondContact O-N 3.25Å; S721-Q724 PolarHBondContact O-N 3.27Å |
| 722 | R | 47.1 | Very low | 37.8 | Very low | 214 Ų | 214 | 135.1 Ų | 135.1 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -49.1 | -12 | 174.5 | -108.2 | 173.7 | 171.8 | 169.5 | -3.4 | 115.8 | ||
| 723 | K | 43.2 | Very low | 38.3 | Very low | 168 Ų | 168 | 135 Ų | 135 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -78.2 | -20.9 | 178.3 | -150 | 173 | -174.2 | -180 | 0 | 113.5 | S721 | S721-K723 PolarHBondContact O-N 3.25Å |
| 724 | Q | 49.7 | Very low | 38.1 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 49% | 0.491 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -88.8 | -30.7 | 175.4 | -84.2 | 163.4 | -58.7 | 0 | 0 | 113.4 | S721 K726 M727 A728 | S721-Q724 PolarHBondContact O-N 3.27Å; Q724-K726 PolarHBondContact O-N 3.2Å; Q724-M727 PolarHBondContact O-N 3.31Å; Q724-A728 PolarHBondContact O-N 3.48Å |
| 725 | Q | 44.8 | Very low | 38.4 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -61.4 | -43.7 | 173.2 | -109.6 | 169.7 | -22.4 | 0 | 0 | 112 | M727 A728 | Q725-M727 VanDerWaalsContact C-N 3.29Å; Q725-M727 PolarHBondContact O-N 2.78Å; Q725-A728 PolarHBondContact O-N 3.34Å |
| 726 | K | 46.9 | Very low | 38.5 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -69.2 | -18.1 | 179.3 | -70.6 | -163.8 | 170.3 | -163.7 | 0 | 115.2 | Q724 | Q724-K726 PolarHBondContact O-N 3.2Å |
| 727 | M | 41.7 | Very low | 38.7 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -90.5 | -16 | 174.7 | -62.9 | -147.8 | -58.2 | 0 | 0 | 113.3 | Q724 Q725 | Q724-M727 PolarHBondContact O-N 3.31Å; Q725-M727 VanDerWaalsContact C-N 3.29Å; Q725-M727 PolarHBondContact O-N 2.78Å |
| 728 | A | 38 | Very low | 38.7 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 56% | 0.562 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -80.3 | -21.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | Q724 Q725 | Q724-A728 PolarHBondContact O-N 3.48Å; Q725-A728 PolarHBondContact O-N 3.34Å |
| 729 | E | 39.2 | Very low | 38.7 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -86.3 | -38 | -178.2 | -161.7 | 164.9 | -157.4 | 0 | 0 | 112.2 | A731 | E729-A731 PolarHBondContact O-N 3.42Å |
| 730 | A | 42.3 | Very low | 38.5 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 60% | 0.603 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -69.8 | -13.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K732 | A730-K732 VanDerWaalsContact C-N 3.34Š|
| 731 | A | 39 | Very low | 38.3 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -86.9 | 3.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E729 | E729-A731 PolarHBondContact O-N 3.42Š|
| 732 | K | 37.8 | Very low | 37.4 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -102.6 | -3.7 | -178.9 | -78.1 | -174.4 | 174.6 | -178.8 | 0 | 115.3 | A730 | A730-K732 VanDerWaalsContact C-N 3.34Š|
| 733 | S | 39.8 | Very low | 36.5 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -126.6 | 58.6 | -173.7 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 734 | S | 33.8 | Very low | 35.7 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -165.3 | 101.9 | 155 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 735 | R | 33.2 | Very low | 34.6 | Very low | 239 Ų | 239 | 152.2 Ų | 152.2 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -126.3 | 140.1 | 161.1 | -81 | -177.7 | 172.5 | 163.7 | -3.3 | 108.4 | ||||
| 736 | N | 30.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 58.2 | 92.4 | 168.3 | -63.4 | -15.5 | 0 | 0 | 0 | 118.3 | ||||
| 737 | I | 29.6 | Very low | 32.9 | Very low | 164 Ų | 164 | 147 Ų | 147 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -127.3 | 87.2 | 133.6 | -58.8 | -178.6 | 0 | 0 | 0 | 106.9 | ||||
| 738 | S | 30.7 | Very low | 32.2 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -132.5 | 45.5 | 172.8 | 62 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 739 | Q | 31.6 | Very low | 31.6 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | -142.3 | 155.6 | 161.9 | -75.2 | 179.5 | -15.9 | 0 | 0 | 105.2 | ||||
| 740 | Y | 29.9 | Very low | 31 | Very low | 214 Ų | 214 | 157.1 Ų | 157.1 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 93.4 | 51.4 | -172.6 | -60.4 | -73.1 | 0 | 0 | 0 | 119 | ||||
| 741 | F | 28.6 | Very low | 30.2 | Very low | 207 Ų | 207 | 161.6 Ų | 161.6 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | -153.2 | 121.2 | 133.3 | -77.7 | -71.5 | 0 | 0 | 0 | 103.8 | ||||
| 742 | V | 28.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 165.7 Ų | 165.7 | 75% | 0.745 | 82% | 0.816 | S | S | * | * | -167.4 | 158.6 | 60.1 | 159.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 743 | K | 27.8 | Very low | 29 | Very low | 200 Ų | 200 | 167.8 Ų | 167.8 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | 75 | 115.3 | 162.6 | -86.3 | 166.4 | -176.1 | -179.1 | 0 | 120.5 | ||||
| 744 | K | 25.9 | Very low | 29 | Very low | 212 Ų | 212 | 168.5 Ų | 168.5 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | -156 | 150.6 | 119.3 | -118.6 | -178 | -179.6 | -174.3 | 0 | 111.6 | |||||
| 745 | K | 26.5 | Very low | 28.6 | Very low | 188 Ų | 188 | 171.3 Ų | 171.3 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -74.3 | 173.1 | 166.4 | -67.9 | -175.6 | 172.4 | -171.4 | 0 | 110.1 | ||||
| 746 | P | 31.2 | Very low | 28.4 | Very low | 129 Ų | 129 | 164 Ų | 164 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | -127.2 | 167.7 | 110 | 35.5 | -28.7 | 0 | 0 | 0 | 113.5 | |||||
| 747 | A | 25 | Very low | 28.2 | Very low | 72 Ų | 72 | 161.5 Ų | 161.5 | 60% | 0.595 | 82% | 0.82 | S | S | * | * | trans | -112.7 | 150.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 748 | E | 26.2 | Very low | 28 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | 28.3 | 124.9 | 129.9 | -61.8 | 166.6 | 166.9 | 0 | 0 | 119.5 | |||||
| 749 | E | 25.7 | Very low | 28 | Very low | 200 Ų | 200 | 161 Ų | 161 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -145.9 | 151.3 | 138.1 | -123.1 | 165.9 | -153.3 | 0 | 0 | 108.3 | ||||
| 750 | E | 27.9 | Very low | 28.5 | Very low | 188 Ų | 188 | 158 Ų | 158 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -93.1 | 163.7 | -163.9 | -58.8 | 170.1 | 108.1 | 0 | 0 | 113 | ||||
| 751 | E | 25.7 | Very low | 28.4 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | -169.8 | 125.3 | 117.9 | -99.4 | -163.9 | 138.4 | 0 | 0 | 114.6 | |||||
| 752 | Q | 25 | Very low | 28.3 | Very low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 69.1 | 123.3 | 142.1 | -54.8 | -173.8 | 27.4 | 0 | 0 | 123.6 | ||||
| 753 | R | 24.9 | Very low | 28.2 | Very low | 238 Ų | 238 | 149 Ų | 149 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -82.8 | -178.8 | 163.6 | -101.3 | -176.9 | -177.1 | -167.4 | 2.2 | 111 | ||||
| 754 | P | 40.7 | Very low | 28.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | -134.5 | -154.6 | 24.2 | 44 | -23.2 | 0 | 0 | 0 | 113.3 | ||||
| 755 | E | 26.3 | Very low | 28.1 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -144.8 | 141.3 | 3 | -117.4 | -144.6 | 119.3 | 0 | 0 | 108.4 | ||||
| 756 | A | 28.4 | Very low | 28.1 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | 94.1 | 136.7 | 89.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 757 | G | 26.6 | Very low | 27.8 | Very low | 87 Ų | 87 | 140.9 Ų | 140.9 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 110.9 | 119 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 758 | G | 25.7 | Very low | 27.6 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 118.6 | 97.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 759 | L | 29.6 | Very low | 27.5 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -92.8 | -178.6 | 164.6 | -79.4 | 152.2 | 0 | 0 | 0 | 110.1 | ||||
| 760 | P | 42.3 | Very low | 27.5 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -139.2 | -167.8 | -44.8 | 39.2 | -21.6 | 0 | 0 | 0 | 113.3 | ||||
| 761 | S | 27.3 | Very low | 27.4 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | trans | 69.3 | 151.7 | 146.4 | -77.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 762 | E | 26.8 | Very low | 27.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | cis | -160.7 | 153.4 | -18.2 | -123.6 | 161.3 | 152.9 | 0 | 0 | 111.8 | ||||
| 763 | T | 26.8 | Very low | 27.7 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 63% | 0.632 | 76% | 0.76 | S | S | * | * | trans | 17.6 | 134.8 | 150.6 | 47.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 764 | L | 26.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | 62.7 | 155 | 128.7 | -59.8 | 169.4 | 0 | 0 | 0 | 118.5 | |||||
| 765 | S | 25.8 | Very low | 27.2 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | cis | -165.7 | 138.4 | -12.9 | 42.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 766 | E | 25.6 | Very low | 27.4 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | 49.4 | 130.9 | 125.8 | -155.1 | 168.3 | -115.8 | 0 | 0 | 121.1 | |||||
| 767 | V | 24.2 | Very low | 27.4 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 149.5 | 128.3 | 142.1 | 160.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 768 | C | 22.5 | Very low | 27.3 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | 38.6 | 160 | 151.4 | -65 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 769 | E | 24.1 | Very low | 27.4 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -160.9 | 160 | -18.8 | -112.4 | 168.8 | 153.2 | 0 | 0 | 109.8 | ||||
| 770 | E | 25 | Very low | 27.9 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 61% | 0.607 | 74% | 0.738 | S | S | * | * | trans | 24.6 | 145.9 | 145.7 | -66.5 | -161.2 | 124.5 | 0 | 0 | 126.4 | ||||
| 771 | K | 25.1 | Very low | 27 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | 67 | 152.3 | 140.6 | -72.4 | 161.3 | -172.2 | 154.6 | 0 | 119.3 | ||||
| 772 | S | 27.6 | Very low | 26.9 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | 167.4 | 127 | -26.7 | -96.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 773 | R | 30.2 | Very low | 27.5 | Very low | 241 Ų | 241 | 139.2 Ų | 139.2 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | 66.9 | 129 | 154.2 | -66 | -179 | 166.1 | -176.4 | -5.2 | 122 | ||||
| 774 | Q | 25.9 | Very low | 27.5 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | trans | -141.6 | 133.9 | 138.2 | -91.9 | 173 | -42.2 | 0 | 0 | 105.5 | ||||
| 775 | E | 30 | Very low | 27.4 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | 58.9 | 137.9 | 79.7 | -66.7 | -170 | 142.8 | 0 | 0 | 113.7 | |||||
| 776 | L | 28.6 | Very low | 27.3 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | cis | -170.7 | 140.2 | -14.1 | -117.4 | 165.9 | 0 | 0 | 0 | 106.9 | ||||
| 777 | L | 28.7 | Very low | 27.3 | Very low | 155 Ų | 155 | 142 Ų | 142 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 60.7 | 155.8 | 161.6 | -63 | 160.3 | 0 | 0 | 0 | 117.6 | ||||
| 778 | S | 25.8 | Very low | 27.4 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | cis | -157.8 | 162.2 | -10.6 | 40.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 779 | L | 26.5 | Very low | 27.7 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -59.4 | 175.5 | 177.4 | -73.3 | 164.4 | 0 | 0 | 0 | 114.3 | ||||
| 780 | P | 40.9 | Very low | 27.8 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | cis | -149.7 | -179.5 | 25 | 39.3 | -16.2 | 0 | 0 | 0 | 120.5 | ||||
| 781 | S | 23.5 | Very low | 27.9 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 105.6 | 104.9 | 147.3 | -31.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 782 | D | 24.7 | Very low | 28.1 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -42 | 166.1 | 151.5 | -76.1 | -55.7 | 0 | 0 | 0 | 114.8 | ||||
| 783 | P | 39.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | cis | -158.2 | 167.6 | 42.7 | 46.6 | -25 | 0 | 0 | 0 | 122.5 | ||||
| 784 | V | 25.6 | Very low | 28 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | 82.9 | 123.3 | 131.1 | 150 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 785 | L | 25.1 | Very low | 28 | Very low | 142 Ų | 142 | 144 Ų | 144 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 65.4 | 152.7 | 154.3 | -59.1 | 168.7 | 0 | 0 | 0 | 118.1 | ||||
| 786 | E | 23.6 | Very low | 28.2 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | cis | -150.8 | -176.2 | 9.9 | -142.5 | 151 | -128 | 0 | 0 | 112.1 | ||||
| 787 | E | 25.4 | Very low | 28.1 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -45.1 | 168.6 | -176.6 | -55.3 | 168.9 | 159.5 | 0 | 0 | 117.3 | ||||
| 788 | S | 26.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | cis | -163.8 | 160.1 | 28.3 | 57 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 789 | E | 29.1 | Very low | 29 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | 50.1 | 142.3 | 145.2 | -65.5 | 178.6 | 168.6 | 0 | 0 | 120.9 | ||||
| 790 | D | 27.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | cis | -162.8 | 177.2 | 17.8 | -155.7 | -3.7 | 0 | 0 | 0 | 113.1 | ||||
| 791 | L | 27.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | trans | 77.2 | 100.5 | 160.5 | -60.1 | 170.8 | 0 | 0 | 0 | 120 | ||||
| 792 | I | 28.3 | Very low | 31.5 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -109.3 | 125.9 | 165.6 | -66.2 | 175.4 | 0 | 0 | 0 | 111.4 | ||||
| 793 | L | 27.1 | Very low | 32.4 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 126.6 | 162.2 | -89.1 | 160.7 | 0 | 0 | 0 | 110.1 | ||
| 794 | I | 27.7 | Very low | 32 | Very low | 157 Ų | 157 | 137 Ų | 137 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 117.2 | -177.7 | -60.3 | 173.6 | 0 | 0 | 0 | 110.7 | ||
| 795 | E | 27 | Very low | 32.3 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 143.3 | 164.4 | -66.9 | -162.6 | 148.4 | 0 | 0 | 111.9 | K797 | E795-K797 PolarHBondContact O-N 2.86Š|
| 796 | P | 33.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 116.8 | -177.2 | 30.3 | -33.7 | 0 | 0 | 0 | 112.8 | R798 | P796-R798 PolarHBondContact O-N 3.47Š|
| 797 | K | 27.8 | Very low | 32.9 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 132.7 | 170.4 | -81.4 | 177.7 | 173.5 | 173.6 | 0 | 111.7 | E795 | E795-K797 PolarHBondContact O-N 2.86Š|
| 798 | R | 37.8 | Very low | 33.1 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 77% | 0.774 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 123.5 | 168.4 | -67.7 | 180 | 179.9 | 174.8 | 0.9 | 110 | P796 | P796-R798 PolarHBondContact O-N 3.47Š|
| 799 | E | 35.5 | Very low | 33.1 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 53% | 0.528 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 116.2 | 168.8 | -67.3 | 177.1 | 144.6 | 0 | 0 | 110 | R35 | R35-E799 IonicContact CZ-OE2 3.29Å; R35-E799 IonicContact NH1-OE2 2.8Å; R35-E799 PolarHBondContact NH1-OE2 3.46Å; R35-E799 IonicContact NH2-OE2 3.78Å; R35-E799 PolarHBondContact NH2-OE2 3.47Å |
| 800 | V | 45.4 | Very low | 32.9 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 56% | 0.564 | 73% | 0.731 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 113.8 | 170.3 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | V802 | V800-V802 HydrophobicContact CG1-CG2 3.98Å; V800-V802 PolarHBondContact O-N 2.86Å |
| 801 | I | 53.5 | Low | 32.8 | Very low | 64 Ų | 64 | 143.9 Ų | 143.9 | 33% | 0.328 | 74% | 0.738 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 99.2 | -178.5 | -59.5 | 174.6 | 0 | 0 | 0 | 108 | S203 F204 L803 | S203-I801 PolarHBondContact O-N 3.32Å; F204-I801 HydrophobicContact CE1-CD1 4.24Å; I801-L803 HydrophobicContact CG2-CD1 4.22Å; I801-L803 HydrophobicContact CG2-CD2 4.44Å; I801-L803 HydrophobicContact CG2-CG 3.93Å |
| 802 | V | 44.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 140 Ų | 140 | 58% | 0.582 | 74% | 0.736 | S | S | * | * | trans | -103.9 | 108.7 | 170 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | V800 | V800-V802 HydrophobicContact CG1-CG2 3.98Å; V800-V802 PolarHBondContact O-N 2.86Å | ||
| 803 | L | 41.9 | Very low | 32.5 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 36% | 0.356 | 74% | 0.744 | S | S | . | * | trans | -103.2 | 122.4 | 172.8 | -64 | 173.8 | 0 | 0 | 0 | 108.5 | L22 I801 | L22-L803 HydrophobicContact CD1-CD1 4.38Å; I801-L803 HydrophobicContact CG2-CD1 4.22Å; I801-L803 HydrophobicContact CG2-CD2 4.44Å; I801-L803 HydrophobicContact CG2-CG 3.93Å | ||
| 804 | S | 32 | Very low | 32.3 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -81.2 | 129.5 | 163.8 | 39.5 | 0 | 0 | 0 | 0 | 109 | D806 | S804-D806 PolarHBondContact O-N 3.17Š| ||
| 805 | D | 31.7 | Very low | 32.1 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -78.4 | 72.1 | 169.2 | -69.2 | -40.8 | 0 | 0 | 0 | 109.2 | ||
| 806 | D | 32.5 | Very low | 31.8 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | trans | -143.4 | 99.2 | 166.8 | -83.9 | -43.2 | 0 | 0 | 0 | 106.4 | S804 | S804-D806 PolarHBondContact O-N 3.17Š| ||
| 807 | E | 28.4 | Very low | 31.2 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | 171.8 | 119.1 | 146.4 | -99 | 168.6 | -160.3 | 0 | 0 | 111.2 | ||||
| 808 | E | 29.7 | Very low | 30.8 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 92% | 0.921 | 72% | 0.721 | S | S | * | * | trans | -79.3 | 152.5 | 164.6 | -67.5 | -178.7 | 131.2 | 0 | 0 | 109.9 | E810 | E808-E810 PolarHBondContact O-N 3.03Š| ||
| 809 | Q | 26.7 | Very low | 30 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 93% | 0.93 | 72% | 0.724 | S | S | * | * | trans | -83.6 | 111.2 | -176.9 | -64.6 | -177.1 | -63.3 | 0 | 0 | 111.8 | ||||
| 810 | E | 25.2 | Very low | 29.4 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | -95.2 | 135.3 | 145.4 | -79.9 | -155.4 | 140.6 | 0 | 0 | 110.3 | E808 | E808-E810 PolarHBondContact O-N 3.03Š| ||
| 811 | A | 26 | Very low | 28.3 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | trans | -101.5 | 104.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 812 | G | 24.4 | Very low | 26.9 | Very low | 73 Ų | 73 | 141.7 Ų | 141.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | 76.8 | 110.3 | 142 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 813 | R | 23.9 | Very low | 26 | Very low | 259 Ų | 259 | 144 Ų | 144 | 98% | 0.977 | 77% | 0.767 | S | S | * | * | -147 | 164.8 | 125.9 | -119.9 | 169.2 | -178.4 | 160.3 | -0.3 | 112.3 | |||||
| 814 | E | 23.4 | Very low | 25.9 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -105.5 | 162.8 | -150.4 | -145.8 | 178.8 | 179 | 0 | 0 | 112.3 | ||||
| 815 | V | 22.8 | Very low | 25.6 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | 81.7 | 135.9 | 158.9 | -176.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 816 | T | 20.3 | Very low | 25.3 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -87.9 | 178.1 | -176.3 | -23.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 817 | L | 21.1 | Very low | 25 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 86.1 | 96.9 | 149.9 | -73.5 | 165.3 | 0 | 0 | 0 | 120.2 | ||||
| 818 | T | 19.9 | Very low | 24.8 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 64% | 0.644 | 78% | 0.775 | S | S | * | * | 66.2 | 136 | 116 | 52.8 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 819 | L | 21.7 | Very low | 24.6 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 70.2 | 130.1 | 147.3 | -62.4 | 159.4 | 0 | 0 | 0 | 115.3 | ||||
| 820 | V | 22 | Very low | 24.5 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | -166.8 | 150.6 | 59.3 | 159.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 821 | E | 22.7 | Very low | 24.5 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 17.7 | 147.8 | 149.5 | -57.7 | 154.2 | 171 | 0 | 0 | 120.6 | ||||
| 822 | D | 23.5 | Very low | 24.3 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | cis | -151.2 | 140.6 | 34.3 | -96.5 | -54 | 0 | 0 | 0 | 114 | ||||
| 823 | I | 25.7 | Very low | 24.3 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | 25.1 | 147.1 | 111.2 | -64.1 | 177.3 | 0 | 0 | 0 | 118.3 | |||||
| 824 | P | 39.8 | Very low | 25.4 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 62% | 0.617 | 73% | 0.727 | S | S | * | * | cis | -137.8 | -177.3 | 13.5 | 24 | 2.1 | 0 | 0 | 0 | 118 | ||||
| 825 | H | 25.9 | Very low | 25.6 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 69.1 | 148.1 | 154.1 | -69.5 | -65.7 | 0 | 0 | 0 | 119.4 | ||||
| 826 | E | 26.1 | Very low | 25.8 | Very low | 152 Ų | 152 | 133 Ų | 133 | 71% | 0.71 | 72% | 0.72 | S | S | * | * | cis | -164.3 | 150.2 | -35.3 | -137 | 170.8 | -171.4 | 0 | 0 | 107.9 | ||||
| 827 | D | 25.6 | Very low | 26.9 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | 54.3 | 111.1 | 149.6 | -76.5 | 16.5 | 0 | 0 | 0 | 124.6 | ||||
| 828 | T | 25.1 | Very low | 27.2 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | 84 | 91.4 | 110.9 | -54.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 829 | T | 24.4 | Very low | 27.6 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.693 | 71% | 0.71 | S | S | * | * | trans | 70.4 | 130.9 | 134.7 | 61.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 830 | T | 24.2 | Very low | 28.2 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | trans | 78.1 | 121.7 | 134.4 | 49.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 831 | I | 25.8 | Very low | 28.7 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | 88.5 | 124.7 | 125.4 | -70 | 169.5 | 0 | 0 | 0 | 120.9 | |||||
| 832 | T | 22.9 | Very low | 29 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 71% | 0.708 | S | S | * | * | trans | 63.7 | 130 | 158 | 47.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 833 | E | 23.9 | Very low | 29.1 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | 7.6 | 163.9 | 120.2 | -95 | -177.8 | -155.1 | 0 | 0 | 121.4 | |||||
| 834 | P | 46.6 | Very low | 29.2 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | cis | -144.4 | -178.2 | -2.4 | 35.3 | -12.5 | 0 | 0 | 0 | 118.4 | ||||
| 835 | N | 28.2 | Very low | 28.6 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | 80.1 | 119.9 | 138.8 | -84.7 | -13 | 0 | 0 | 0 | 126.7 | ||||
| 836 | Q | 26 | Very low | 28.7 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | 77.1 | 163.7 | 125.9 | -73.4 | -168.4 | 2.2 | 0 | 0 | 122.4 | |||||
| 837 | P | 43.2 | Very low | 28.6 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | -144 | -165.8 | -64.8 | 42 | -21 | 0 | 0 | 0 | 115.8 | |||||
| 838 | K | 28.2 | Very low | 29 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | 80.6 | 148.7 | 164.8 | -66.9 | 168.2 | 156.3 | -94.2 | 0 | 118.6 | ||||
| 839 | E | 29.1 | Very low | 29 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 58% | 0.579 | 74% | 0.735 | S | S | * | * | cis | -161.8 | 150.3 | -7 | -115 | 155.7 | -176.9 | 0 | 0 | 111.6 | ||||
| 840 | E | 32.9 | Very low | 29.3 | Very low | 158 Ų | 158 | 140 Ų | 140 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 56.5 | 149.7 | 150.2 | -68.9 | 155.7 | -168.5 | 0 | 0 | 121.8 | ||||
| 841 | E | 31.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | cis | -161.8 | 156.6 | 7.8 | -125.6 | 168.9 | -167.4 | 0 | 0 | 113.6 | ||||
| 842 | E | 30.8 | Very low | 29.5 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | 50.8 | 151.9 | 159.8 | -65.3 | 177.8 | 167.4 | 0 | 0 | 122.6 | ||||
| 843 | E | 25.7 | Very low | 29.7 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | cis | -152.3 | -172.1 | 20.4 | -143.5 | 173.2 | -154.3 | 0 | 0 | 113.3 | ||||
| 844 | E | 27 | Very low | 30 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -69.6 | 172.3 | -160.5 | -53.4 | 174.8 | 143.4 | 0 | 0 | 118.9 | ||||
| 845 | E | 28 | Very low | 28.9 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | -158.8 | 148.6 | 15.7 | -152.4 | -176.8 | -162 | 0 | 0 | 114 | ||||
| 846 | E | 26.3 | Very low | 28.6 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | 45.1 | 139.5 | 154.1 | -84.9 | -162 | 179.8 | 0 | 0 | 124.9 | ||||
| 847 | V | 25.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | cis | -147.1 | 146 | 2.8 | -169.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 848 | P | 33.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -115.4 | -168.1 | -172.1 | 43.5 | -35.9 | 0 | 0 | 0 | 117.1 | ||||
| 849 | A | 24.7 | Very low | 27.4 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -128 | 162.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 850 | S | 30.3 | Very low | 27.1 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 65.8 | 118.3 | 148.4 | 52.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 851 | L | 28 | Very low | 26.8 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | 51 | 116.4 | 125.9 | -93.4 | 168.3 | 0 | 0 | 0 | 123.6 | |||||
| 852 | L | 26.9 | Very low | 26.5 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 119.1 | 123.3 | 136.2 | -69.3 | 175 | 0 | 0 | 0 | 117.9 | ||||
| 853 | L | 26.3 | Very low | 26.2 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | 168.4 | 177.8 | 109.7 | -91.8 | -179 | 0 | 0 | 0 | 112.7 | |||||
| 854 | V | 30.7 | Very low | 26.2 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -134.9 | 132.4 | -172.7 | 169.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 855 | Q | 23.4 | Very low | 26.1 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -171.1 | 140.7 | 134.7 | -109.1 | 174.9 | -63.7 | 0 | 0 | 114.8 | ||||
| 856 | E | 22.7 | Very low | 25.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 55.3 | 89.3 | 146.8 | -73.7 | 158.7 | -136.3 | 0 | 0 | 122.7 | ||||
| 857 | A | 29.2 | Very low | 25.7 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 27 | 115.1 | 124.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 858 | A | 21.3 | Very low | 25.7 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -157.6 | 148.7 | 131.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 859 | D | 21 | Very low | 25.2 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 51.6 | 122 | 149.5 | -55.2 | -24.1 | 0 | 0 | 0 | 123.1 | ||||
| 860 | E | 22.9 | Very low | 25.1 | Very low | 180 Ų | 180 | 149.7 Ų | 149.7 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | 63.8 | 135.6 | 140.3 | -58.5 | -176.7 | 168.7 | 0 | 0 | 118.2 | ||||
| 861 | V | 27.6 | Very low | 24.8 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | cis | -136.8 | 124 | 38.6 | 170.5 | 0 | 0 | 0 | 0 | 112 | A863 | V861-A863 HydrophobicContact CG1-CB 3.81Å; V861-A863 PolarHBondContact O-N 3.45Å | ||
| 862 | E | 24 | Very low | 24.7 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | trans | -66.9 | 117.6 | 150.2 | -80.3 | -166 | 137 | 0 | 0 | 108.2 | K866 | E862-K866 VanDerWaalsContact CD-NZ 3.3Å; E862-K866 IonicContact OE1-NZ 3.82Å; E862-K866 PolarHBondContact OE1-NZ 3.06Å; E862-K866 IonicContact OE2-NZ 4Å; E862-K866 PolarHBondContact OE2-NZ 2.93Å | ||
| 863 | A | 24.4 | Very low | 24.5 | Very low | 80 Ų | 80 | 153.9 Ų | 153.9 | 66% | 0.661 | 82% | 0.819 | S | S | * | * | trans | -145.6 | 141.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V861 | V861-A863 HydrophobicContact CG1-CB 3.81Å; V861-A863 PolarHBondContact O-N 3.45Å | ||
| 864 | E | 25.9 | Very low | 24.3 | Very low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 65.1 | 61.3 | 171.5 | -54.5 | -166 | 162.9 | 0 | 0 | 118 | ||
| 865 | Q | 26.4 | Very low | 24.1 | Very low | 200 Ų | 200 | 157.5 Ų | 157.5 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | -163.6 | 69.3 | 126.1 | -106.8 | 165.8 | 39.4 | 0 | 0 | 112.5 | |||||
| 866 | K | 23 | Very low | 24.2 | Very low | 161 Ų | 161 | 159 Ų | 159 | 70% | 0.7 | 83% | 0.828 | S | S | * | * | trans | -136.6 | 69.6 | 167.2 | -83.1 | 178.9 | -174 | 149.3 | 0 | 111.4 | E862 | E862-K866 VanDerWaalsContact CD-NZ 3.3Å; E862-K866 IonicContact OE1-NZ 3.82Å; E862-K866 PolarHBondContact OE1-NZ 3.06Å; E862-K866 IonicContact OE2-NZ 4Å; E862-K866 PolarHBondContact OE2-NZ 2.93Å | ||
| 867 | E | 23 | Very low | 24.4 | Very low | 198 Ų | 198 | 160 Ų | 160 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | -143.4 | 131.1 | 147.6 | -75.4 | -164.5 | 151 | 0 | 0 | 106.1 | ||||
| 868 | A | 23.8 | Very low | 24.2 | Very low | 96 Ų | 96 | 162 Ų | 162 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | S | Bend | cis | -144.6 | 128.5 | 8.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 869 | E | 23.5 | Very low | 24.3 | Very low | 200 Ų | 200 | 163 Ų | 163 | 94% | 0.935 | 84% | 0.836 | S | S | * | * | trans | -150.9 | 66.5 | 158 | -140.8 | 172.3 | -142.4 | 0 | 0 | 110.3 | ||||
| 870 | Q | 23.4 | Very low | 25.4 | Very low | 193 Ų | 193 | 161.9 Ų | 161.9 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -144.7 | 84 | 166.9 | -108.1 | -173.8 | 7.2 | 0 | 0 | 111.2 | ||||
| 871 | K | 23.7 | Very low | 25.4 | Very low | 206 Ų | 206 | 157.7 Ų | 157.7 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -139.1 | 147.9 | 148.9 | -81.6 | -167.2 | 175.5 | 177.4 | 0 | 108.6 | ||||
| 872 | E | 24.9 | Very low | 25.3 | Very low | 194 Ų | 194 | 156 Ų | 156 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | 72 | 74.8 | 172.6 | -54.9 | -168 | 157.7 | 0 | 0 | 117.6 | ||||
| 873 | A | 22.6 | Very low | 25.3 | Very low | 104 Ų | 104 | 157 Ų | 157 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -149.9 | 64 | 146.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 874 | E | 23.2 | Very low | 25.3 | Very low | 190 Ų | 190 | 164.5 Ų | 164.5 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -150.4 | 87.6 | 166.1 | -140.8 | 178.1 | -137 | 0 | 0 | 112.9 | ||||
| 875 | Q | 26.5 | Very low | 25.3 | Very low | 181 Ų | 181 | 160.4 Ų | 160.4 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -161.7 | 116.2 | 142.6 | -114.8 | 172.7 | 66 | 0 | 0 | 113.8 | ||||
| 876 | K | 26.2 | Very low | 25.3 | Very low | 194 Ų | 194 | 161.9 Ų | 161.9 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | 70.1 | 109.7 | 152.5 | -71.1 | 179.5 | 175.2 | 175.9 | 0 | 120.6 | ||||
| 877 | E | 26.4 | Very low | 25.4 | Very low | 180 Ų | 180 | 159.4 Ų | 159.4 | 84% | 0.841 | 83% | 0.831 | S | S | * | * | trans | -37.1 | 146.6 | 147.1 | -48.3 | 174.2 | 123.2 | 0 | 0 | 114.6 | ||||
| 878 | T | 24.3 | Very low | 25.7 | Very low | 147 Ų | 147 | 158.1 Ų | 158.1 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | -178 | 157.4 | 114.4 | 25.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 879 | S | 22.8 | Very low | 25.7 | Very low | 108 Ų | 108 | 156.3 Ų | 156.3 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -132.6 | 178 | 172.7 | 71.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 880 | P | 43.8 | Very low | 25.8 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | cis | -133.7 | -162.5 | -16.8 | 32.4 | -10.1 | 0 | 0 | 0 | 112.9 | ||||
| 881 | A | 23.3 | Very low | 26.1 | Very low | 91 Ų | 91 | 148.1 Ų | 148.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | 98.2 | 112.3 | 146 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 882 | A | 25.3 | Very low | 26.4 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | 63.4 | 127.8 | 117.2 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 883 | K | 25.4 | Very low | 26.6 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | 80.8 | 118.4 | 137.9 | -71.8 | 166.5 | -176.8 | 169.7 | 0 | 122.9 | ||||
| 884 | R | 24.6 | Very low | 26.8 | Very low | 238 Ų | 238 | 154 Ų | 154 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | 66.8 | 147.5 | 137.7 | -61.6 | 177.2 | 170.7 | 179.3 | -2.9 | 116.6 | ||||
| 885 | S | 25.2 | Very low | 26.9 | Very low | 101 Ų | 101 | 150.8 Ų | 150.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -166.6 | 145.1 | 40.6 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 886 | R | 26.6 | Very low | 26.8 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | 54.5 | 147.7 | 107.7 | -66.4 | -170.6 | 166 | 171.3 | -5.1 | 117 | |||||
| 887 | T | 25.9 | Very low | 26.7 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | cis | -167.2 | 155.3 | 1.7 | 15.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 888 | L | 27.4 | Very low | 27.1 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | 173.5 | 155 | 88.3 | -103.6 | 101.3 | 0 | 0 | 0 | 107 | |||||
| 889 | G | 24.6 | Very low | 27.7 | Very low | 59 Ų | 59 | 143.8 Ų | 143.8 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | cis | 176.9 | 157.2 | -7.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 890 | S | 26.5 | Very low | 27.9 | Very low | 126 Ų | 126 | 147 Ų | 147 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | trans | 57.5 | 151.7 | 155.5 | 61.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 891 | S | 28.1 | Very low | 27.2 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -171.6 | 132.9 | -31.7 | -155.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 892 | K | 31.5 | Very low | 27.3 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 53 | 118.7 | 146.4 | -67 | 171.6 | -176.5 | 175.5 | 0 | 123.6 | ||||
| 893 | R | 28.7 | Very low | 27.4 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | 53 | 144.9 | 122.9 | -57.4 | 179.2 | 177.1 | 176.9 | -2.2 | 118.9 | |||||
| 894 | R | 27.6 | Very low | 27.4 | Very low | 224 Ų | 224 | 157.3 Ų | 157.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | cis | -179.8 | 165.3 | 47.2 | -153.3 | -169.5 | -151.5 | 175.1 | 6.5 | 111.9 | ||||
| 895 | V | 23.5 | Very low | 27.6 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | 87.2 | 147.6 | 156.9 | -170.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 896 | T | 25.7 | Very low | 27.6 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -69.5 | 155 | -173.7 | 50.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 897 | F | 23 | Very low | 27.8 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | -167.4 | 165.7 | 112.8 | -126.5 | -103.2 | 0 | 0 | 0 | 112.1 | |||||
| 898 | N | 34.6 | Very low | 28.1 | Very low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -127.5 | 126.3 | 164.4 | -179.3 | 41 | 0 | 0 | 0 | 107.2 | ||||
| 899 | P | 37.9 | Very low | 28.5 | Very low | 110 Ų | 110 | 146 Ų | 146 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -137.4 | 157.1 | 146.7 | 31.7 | -15.1 | 0 | 0 | 0 | 114.2 | ||||
| 900 | E | 27.3 | Very low | 28.7 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -75.7 | -174.8 | 177 | -55.2 | 169 | 134.2 | 0 | 0 | 112.4 | ||||
| 901 | V | 27.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | trans | 109.2 | 116.3 | 149 | -171.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 902 | Q | 25.7 | Very low | 29.4 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 64.6 | 107.3 | 154.6 | -69.9 | 161.6 | 33.5 | 0 | 0 | 120.1 | ||||
| 903 | E | 27.5 | Very low | 29.3 | Very low | 204 Ų | 204 | 144.5 Ų | 144.5 | 95% | 0.953 | 78% | 0.782 | S | S | * | * | -98.5 | 134 | 129.7 | -76.9 | -171.2 | 146.8 | 0 | 0 | 109.3 | |||||
| 904 | R | 25 | Very low | 29.5 | Very low | 222 Ų | 222 | 141.5 Ų | 141.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -122.6 | 131.6 | 176.6 | -138.7 | 177.6 | -173.4 | -179.5 | 1.1 | 108.5 | ||||
| 905 | S | 29.4 | Very low | 29.7 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -51.4 | 161.1 | -176.6 | 53.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 906 | L | 25.9 | Very low | 30.1 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | 174 | 166 | 124.1 | -88.9 | 167.4 | 0 | 0 | 0 | 109.4 | |||||
| 907 | P | 31.1 | Very low | 30.5 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | -133 | 169 | -68.8 | 37.3 | -19.6 | 0 | 0 | 0 | 114.4 | |||||
| 908 | P | 31.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -105.3 | 158.5 | 152.7 | 34.8 | -26.2 | 0 | 0 | 0 | 112 | ||||
| 909 | P | 35.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -77.8 | 146 | -175.6 | 31.4 | -35.2 | 0 | 0 | 0 | 113.6 | ||||
| 910 | G | 28.1 | Very low | 33 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -84.8 | -170 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 911 | D | 29.8 | Very low | 34.7 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | cis | -163.5 | -176.4 | -2.7 | -152.2 | 30.4 | 0 | 0 | 0 | 104.6 | ||||
| 912 | P | 40.8 | Very low | 36.9 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | cis | -131.8 | 174.9 | -5.2 | 42.9 | -26.5 | 0 | 0 | 0 | 115.3 | ||||
| 913 | G | 27.8 | Very low | 39.7 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | 141.6 | 91.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 914 | N | 33.4 | Very low | 42.4 | Very low | 165 Ų | 165 | 119.4 Ų | 119.4 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | trans | -62 | 132.6 | 173.2 | -89.5 | -51.6 | 0 | 0 | 0 | 114.1 | ||||
| 915 | L | 31.5 | Very low | 45.2 | Very low | 182 Ų | 182 | 115.9 Ų | 115.9 | 95% | 0.953 | 70% | 0.701 | S | S | * | * | trans | -140.4 | 125.5 | 142.1 | -94.8 | 169.7 | 0 | 0 | 0 | 108.7 | ||||
| 916 | C | 33.6 | Very low | 47.7 | Very low | 123 Ų | 123 | 114 Ų | 114 | 83% | 0.831 | 68% | 0.681 | S | S | * | * | trans | -105.7 | 129.5 | -166.9 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 917 | D | 33 | Very low | 50.6 | Low | 150 Ų | 150 | 106.6 Ų | 106.6 | 80% | 0.802 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 142.1 | 176.7 | -106 | -32.2 | 0 | 0 | 0 | 112.2 | ||
| 918 | P | 41.3 | Very low | 53.3 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -79 | 126.4 | -170.9 | 29.8 | -34.5 | 0 | 0 | 0 | 113.9 | K920 | P918-K920 PolarHBondContact O-N 2.97Š|
| 919 | V | 50.9 | Low | 56 | Low | 94 Ų | 94 | 102.4 Ų | 102.4 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.3 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | A921 E968 | V919-A921 PolarHBondContact O-N 3.35Å; V919-E968 HydrophobicContact CG1-CG 4.3Å |
| 920 | K | 55.2 | Low | 58.5 | Low | 197 Ų | 197 | 97.2 Ų | 97.2 | 86% | 0.857 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 121 | 178.7 | -77.6 | 177.7 | 178.7 | 167.1 | 0 | 111.9 | P918 | P918-K920 PolarHBondContact O-N 2.97Š|
| 921 | A | 63.6 | Low | 61.5 | Low | 56 Ų | 56 | 93.7 Ų | 93.7 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V919 | V919-A921 PolarHBondContact O-N 3.35Š|
| 922 | V | 74.2 | Confident | 64.5 | Low | 25 Ų | 25 | 88.8 Ų | 88.8 | 15% | 0.152 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 133.4 | 172 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | E926 T927 R967 K969 | V922-E926 HydrophobicContact CG1-CB 3.78Å; V922-T927 WeakPolarHBondContact CG1-OG1 3.41Å; V922-R967 VanDerWaalsContact CG2-O 3.3Å; V922-R967 WeakPolarHBondContact CG2-O 3.49Å; V922-R967 PolarHBondContact N-O 3.43Å; V922-K969 HydrophobicContact CG2-CB 3.85Å; V922-K969 HydrophobicContact CG2-CG 4.36Å |
| 923 | T | 83.5 | Confident | 67 | Low | 71 Ų | 71 | 90.9 Ų | 90.9 | 44% | 0.436 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 153.9 | -179.8 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | Q925 E926 T927 | T923-Q925 PolarHBondContact O-N 2.95Å; T923-E926 PolarHBondContact N-OE2 3.49Å; T923-E926 PolarHBondContact O-N 3.4Å; T923-E926 VanDerWaalsContact OG1-CG 3.29Å; T923-E926 WeakPolarHBondContact OG1-CG 3.36Å; T923-E926 PolarHBondContact OG1-N 3.33Å; T923-E926 PolarHBondContact OG1-OE2 3.07Å; T923-T927 PolarHBondContact O-N 3.14Å; T923-T927 PolarHBondContact O-OG1 2.64Å |
| 924 | L | 84.2 | Confident | 69.9 | Low | 76 Ų | 76 | 90 Ų | 90 | 40% | 0.398 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -54.4 | -36.5 | 175.9 | 178.6 | 64 | 0 | 0 | 0 | 112.7 | T927 A928 T962 | L924-T927 PolarHBondContact O-N 3.17Å; L924-A928 WeakPolarHBondContact O-CB 3.43Å; L924-A928 PolarHBondContact O-N 3.33Å; L924-T962 HydrophobicContact CB-CG2 4.14Å; L924-T962 HydrophobicContact CD1-CG2 3.79Å; L924-T962 WeakPolarHBondContact CD1-OG1 3.43Å |
| 925 | Q | 83.7 | Confident | 72.7 | Confident | 148 Ų | 148 | 82.1 Ų | 82.1 | 69% | 0.692 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.2 | -38.4 | 178 | -170.1 | 176.5 | 7.9 | 0 | 0 | 112.3 | T923 N929 | T923-Q925 PolarHBondContact O-N 2.95Å; Q925-N929 VanDerWaalsContact O-CG 3.27Å; Q925-N929 PolarHBondContact O-N 3.15Å; Q925-N929 VanDerWaalsContact O-N 3.09Å; Q925-N929 PolarHBondContact O-ND2 3.04Å |
| 926 | E | 83.5 | Confident | 75.5 | Confident | 62 Ų | 62 | 77 Ų | 77 | 29% | 0.29 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 173.3 | -73.4 | 175.4 | 104.4 | 0 | 0 | 112.1 | V922 T923 A928 N929 I930 K969 | V922-E926 HydrophobicContact CG1-CB 3.78Å; T923-E926 PolarHBondContact N-OE2 3.49Å; T923-E926 PolarHBondContact O-N 3.4Å; T923-E926 VanDerWaalsContact OG1-CG 3.29Å; T923-E926 WeakPolarHBondContact OG1-CG 3.36Å; T923-E926 PolarHBondContact OG1-N 3.33Å; T923-E926 PolarHBondContact OG1-OE2 3.07Å; E926-A928 VanDerWaalsContact C-N 3.34Å; E926-A928 PolarHBondContact O-N 3.08Å; E926-N929 PolarHBondContact O-N 3.45Å; E926-I930 VanDerWaalsContact O-CG1 3.29Å; E926-I930 WeakPolarHBondContact O-CG1 3.29Å; E926-I930 PolarHBondContact O-N 3.46Å; E926-K969 IonicContact OE1-NZ 2.82Å; E926-K969 PolarHBondContact OE1-NZ 3.13Å |
| 927 | T | 85.3 | Confident | 78.1 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 173.4 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | V922 T923 L924 N929 I930 V931 L961 T962 V972 | V922-T927 WeakPolarHBondContact CG1-OG1 3.41Å; T923-T927 PolarHBondContact O-N 3.14Å; T923-T927 PolarHBondContact O-OG1 2.64Å; L924-T927 PolarHBondContact O-N 3.17Å; T927-N929 PolarHBondContact O-N 3.23Å; T927-I930 PolarHBondContact O-N 3.44Å; T927-I930 VanDerWaalsContact O-N 3.14Å; T927-V931 HydrophobicContact CG2-CG2 4.34Å; T927-V931 WeakPolarHBondContact O-CG2 3.43Å; T927-V931 PolarHBondContact O-N 2.74Å; T927-L961 HydrophobicContact CG2-CB 3.89Å; T927-L961 HydrophobicContact CG2-CD1 4.31Å; T927-T962 HydrophobicContact CG2-CG2 4.36Å; T927-V972 HydrophobicContact CG2-CG1 3.97Å |
| 928 | A | 88.1 | Confident | 80.7 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 24% | 0.24 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L924 E926 I930 V931 V932 S958 | L924-A928 WeakPolarHBondContact O-CB 3.43Å; L924-A928 PolarHBondContact O-N 3.33Å; E926-A928 VanDerWaalsContact C-N 3.34Å; E926-A928 PolarHBondContact O-N 3.08Å; A928-I930 VanDerWaalsContact C-N 3.32Å; A928-I930 PolarHBondContact O-N 3.25Å; A928-V931 PolarHBondContact O-N 2.84Å; A928-V932 WeakPolarHBondContact O-CG2 3.42Å; A928-V932 PolarHBondContact O-N 3.33Å; A928-S958 VanDerWaalsContact CA-OG 3.28Å; A928-S958 WeakPolarHBondContact CA-OG 3.47Å |
| 929 | N | 88.1 | Confident | 82.9 | Confident | 107 Ų | 107 | 68.2 Ų | 68.2 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.1 | -37.9 | 174.9 | -71.5 | -28 | 0 | 0 | 0 | 112.1 | Q925 E926 T927 Y933 | Q925-N929 VanDerWaalsContact O-CG 3.27Å; Q925-N929 PolarHBondContact O-N 3.15Å; Q925-N929 VanDerWaalsContact O-N 3.09Å; Q925-N929 PolarHBondContact O-ND2 3.04Å; E926-N929 PolarHBondContact O-N 3.45Å; T927-N929 PolarHBondContact O-N 3.23Å; N929-Y933 WeakPolarHBondContact O-CB 3.44Å; N929-Y933 PolarHBondContact O-N 2.94Å; N929-Y933 VanDerWaalsContact O-N 3.14Å |
| 930 | I | 88.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 9% | 0.092 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 175.8 | -66.2 | 164.6 | 0 | 0 | 0 | 110.9 | E926 T927 A928 Y933 Y934 K969 V972 K973 V976 | E926-I930 VanDerWaalsContact O-CG1 3.29Å; E926-I930 WeakPolarHBondContact O-CG1 3.29Å; E926-I930 PolarHBondContact O-N 3.46Å; T927-I930 PolarHBondContact O-N 3.44Å; T927-I930 VanDerWaalsContact O-N 3.14Å; A928-I930 VanDerWaalsContact C-N 3.32Å; A928-I930 PolarHBondContact O-N 3.25Å; I930-Y933 PolarHBondContact O-N 3.13Å; I930-Y934 HydrophobicContact CG2-CD2 3.94Å; I930-Y934 HydrophobicContact CG2-CE2 3.87Å; I930-Y934 VanDerWaalsContact O-CD2 3.29Å; I930-Y934 WeakPolarHBondContact O-CD2 3.39Å; I930-Y934 PolarHBondContact O-N 3.03Å; I930-K969 HydrophobicContact CD1-CG 3.97Å; I930-V972 HydrophobicContact CD1-CG1 4.43Å; I930-K973 HydrophobicContact CD1-CG 4.42Å; I930-K973 HydrophobicContact CG2-CG 3.85Å; I930-V976 HydrophobicContact CG2-CG2 4.22Å |
| 931 | V | 91.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -50.2 | 177.6 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | T927 A928 Y933 Y934 L935 A954 L957 L961 V976 | T927-V931 HydrophobicContact CG2-CG2 4.34Å; T927-V931 WeakPolarHBondContact O-CG2 3.43Å; T927-V931 PolarHBondContact O-N 2.74Å; A928-V931 PolarHBondContact O-N 2.84Å; V931-Y933 VanDerWaalsContact C-N 3.31Å; V931-Y933 PolarHBondContact O-N 2.61Å; V931-Y934 PolarHBondContact O-N 3.46Å; V931-L935 HydrophobicContact CG1-CD1 3.69Å; V931-L935 HydrophobicContact CG1-CG 4.31Å; V931-L935 WeakPolarHBondContact O-CG 3.26Å; V931-L935 PolarHBondContact O-N 3.3Å; V931-A954 HydrophobicContact CG1-CB 4.15Å; V931-A954 WeakPolarHBondContact CG1-O 3.39Å; V931-L957 HydrophobicContact CG1-CB 3.88Å; V931-L957 HydrophobicContact CG1-CD1 4.3Å; V931-L957 HydrophobicContact CG2-CB 4.26Å; V931-L961 HydrophobicContact CG2-CD1 3.9Å; V931-V976 HydrophobicContact CG2-CG1 4.49Å; V931-V976 HydrophobicContact CG2-CG2 3.77Å |
| 932 | V | 92.6 | Very high | 87 | Confident | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.327 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 179.3 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | A928 Y934 L935 N936 F950 A954 | A928-V932 WeakPolarHBondContact O-CG2 3.42Å; A928-V932 PolarHBondContact O-N 3.33Å; V932-Y934 VanDerWaalsContact C-N 3.34Å; V932-Y934 PolarHBondContact O-N 3.04Å; V932-L935 PolarHBondContact O-N 2.93Å; V932-N936 WeakPolarHBondContact O-CB 3.18Å; V932-N936 PolarHBondContact O-N 3.36Å; V932-F950 HydrophobicContact CG1-CZ 4.39Å; V932-A954 HydrophobicContact CG2-CB 4.09Å |
| 933 | Y | 92.6 | Very high | 87.7 | Confident | 162 Ų | 162 | 67 Ų | 67 | 64% | 0.635 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 175.9 | 179.2 | -93 | 0 | 0 | 0 | 112.5 | N929 I930 V931 | N929-Y933 WeakPolarHBondContact O-CB 3.44Å; N929-Y933 PolarHBondContact O-N 2.94Å; N929-Y933 VanDerWaalsContact O-N 3.14Å; I930-Y933 PolarHBondContact O-N 3.13Å; V931-Y933 VanDerWaalsContact C-N 3.31Å; V931-Y933 PolarHBondContact O-N 2.61Å |
| 934 | Y | 90.4 | Very high | 88.1 | Confident | 56 Ų | 56 | 64 Ų | 64 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83.1 | -21.5 | 180 | -71.9 | -60.7 | 0 | 0 | 0 | 114.6 | I930 V931 V932 K973 V976 K977 | I930-Y934 HydrophobicContact CG2-CD2 3.94Å; I930-Y934 HydrophobicContact CG2-CE2 3.87Å; I930-Y934 VanDerWaalsContact O-CD2 3.29Å; I930-Y934 WeakPolarHBondContact O-CD2 3.39Å; I930-Y934 PolarHBondContact O-N 3.03Å; V931-Y934 PolarHBondContact O-N 3.46Å; V932-Y934 VanDerWaalsContact C-N 3.34Å; V932-Y934 PolarHBondContact O-N 3.04Å; Y934-K973 HydrophobicContact CE2-CB 4.23Å; Y934-K973 HydrophobicContact CE2-CG 4.23Å; Y934-V976 HydrophobicContact CD2-CB 4.31Å; Y934-V976 HydrophobicContact CD2-CG1 3.67Å; Y934-V976 HydrophobicContact CG-CG1 4.06Å; Y934-K977 HydrophobicContact CD1-CG 4.13Å; Y934-K977 HydrophobicContact CE1-CD 4.34Å; Y934-K977 HydrophobicContact CE1-CG 4.1Å; Y934-K977 HydrophobicContact CE2-CG 4.45Å; Y934-K977 HydrophobicContact CG-CG 4.37Å; Y934-K977 WeakPolarHBondContact OH-CE 2.97Å |
| 935 | L | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -81 | -28.4 | 173.4 | -75.3 | 175.7 | 0 | 0 | 0 | 113.7 | V931 V932 Y938 Y939 F944 F950 F953 A954 L957 I980 F984 | V931-L935 HydrophobicContact CG1-CD1 3.69Å; V931-L935 HydrophobicContact CG1-CG 4.31Å; V931-L935 WeakPolarHBondContact O-CG 3.26Å; V931-L935 PolarHBondContact O-N 3.3Å; V932-L935 PolarHBondContact O-N 2.93Å; L935-Y938 PolarHBondContact O-N 3.49Å; L935-Y939 PolarHBondContact O-N 3.25Å; L935-Y939 VanDerWaalsContact O-N 3.13Å; L935-F944 HydrophobicContact CD2-CZ 4.18Å; L935-F950 HydrophobicContact CB-CD2 4.42Å; L935-F950 HydrophobicContact CB-CE2 3.67Å; L935-F950 HydrophobicContact CB-CZ 4.4Å; L935-F953 HydrophobicContact CD1-CD1 4.08Å; L935-F953 HydrophobicContact CD2-CD1 3.8Å; L935-F953 HydrophobicContact CD2-CE1 3.72Å; L935-A954 HydrophobicContact CD1-CB 3.65Å; L935-L957 HydrophobicContact CD1-CD1 4.29Å; L935-L957 HydrophobicContact CD2-CD1 4.33Å; L935-I980 HydrophobicContact CD2-CD1 3.61Å; L935-I980 HydrophobicContact CD2-CG1 3.7Å; L935-I980 HydrophobicContact CD2-CG2 4.15Å; L935-I980 HydrophobicContact CG-CD1 3.72Å; L935-I980 HydrophobicContact CG-CG1 4.31Å; L935-F984 HydrophobicContact CD2-CE2 4.46Å |
| 936 | N | 89.6 | Confident | 88.4 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51 | -44.7 | -176.6 | -96.2 | -11.1 | 0 | 0 | 0 | 114.5 | V932 Y938 Y939 T940 F950 | V932-N936 WeakPolarHBondContact O-CB 3.18Å; V932-N936 PolarHBondContact O-N 3.36Å; N936-Y938 VanDerWaalsContact C-N 3.3Å; N936-Y938 PolarHBondContact O-N 3.28Å; N936-Y939 WeakPolarHBondContact O-CB 3.47Å; N936-Y939 PolarHBondContact O-N 3.46Å; N936-Y939 VanDerWaalsContact O-N 3.15Å; N936-T940 PolarHBondContact O-N 2.82Å; N936-T940 PolarHBondContact O-OG1 2.95Å; N936-F950 WeakPolarHBondContact OD1-CZ 3.05Å |
| 937 | P | 90 | Very high | 88.6 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57 | -40.3 | 177 | -27.4 | 36.3 | 0 | 0 | 0 | 113.6 | T940 Q941 | P937-T940 WeakPolarHBondContact CA-OG1 3.44Å; P937-T940 PolarHBondContact O-N 3.09Å; P937-T940 PolarHBondContact O-OG1 2.93Å; P937-Q941 WeakPolarHBondContact O-CB 3.18Å; P937-Q941 VanDerWaalsContact O-CG 3.23Å; P937-Q941 WeakPolarHBondContact O-CG 3.39Å; P937-Q941 PolarHBondContact O-N 3.12Å |
| 938 | Y | 87.8 | Confident | 88.8 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.8 | -37 | 178.4 | -64 | -90.8 | 0 | 0 | 0 | 111.4 | L935 N936 Q941 G942 K943 I980 F984 | L935-Y938 PolarHBondContact O-N 3.49Å; N936-Y938 VanDerWaalsContact C-N 3.3Å; N936-Y938 PolarHBondContact O-N 3.28Å; Y938-Q941 CarbonylContact O-C 3.51Å; Y938-Q941 PolarHBondContact O-N 3.29Å; Y938-G942 PolarHBondContact O-N 3.39Å; Y938-K943 HydrophobicContact CD1-CG 4.39Å; Y938-K943 WeakPolarHBondContact O-CB 3Å; Y938-K943 WeakPolarHBondContact O-CG 3.34Å; Y938-K943 PolarHBondContact O-N 3.16Å; Y938-I980 HydrophobicContact CD2-CG2 3.69Å; Y938-I980 HydrophobicContact CE1-CG2 4.42Å; Y938-I980 HydrophobicContact CE2-CG2 3.38Å; Y938-I980 HydrophobicContact CG-CG2 4.35Å; Y938-F984 HydrophobicContact CD1-CB 4.19Å; Y938-F984 HydrophobicContact CD1-CD1 4.43Å; Y938-F984 AromaticContact CD1-CD2 3.38Å; Y938-F984 HydrophobicContact CD1-CD2 3.38Å; Y938-F984 AromaticContact CD1-CE2 3.82Å; Y938-F984 HydrophobicContact CD1-CE2 3.82Å; Y938-F984 AromaticContact CD1-CG 3.74Å; Y938-F984 HydrophobicContact CD1-CG 3.74Å; Y938-F984 HydrophobicContact CD2-CD2 4.46Å; Y938-F984 HydrophobicContact CE1-CB 3.98Å; Y938-F984 AromaticContact CE1-CD2 3.74Å; Y938-F984 HydrophobicContact CE1-CD2 3.74Å; Y938-F984 HydrophobicContact CE1-CG 4.02Å; Y938-F984 AromaticContact CG-CD2 3.79Å; Y938-F984 HydrophobicContact CG-CD2 3.79Å; Y938-F984 AromaticContact CG-CE2 3.79Å; Y938-F984 HydrophobicContact CG-CE2 3.79Å |
| 939 | Y | 86.6 | Confident | 88.8 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 172.6 | -176.9 | -110.5 | 0 | 0 | 0 | 112.4 | L935 N936 Q941 G942 F944 K947 F950 | L935-Y939 PolarHBondContact O-N 3.25Å; L935-Y939 VanDerWaalsContact O-N 3.13Å; N936-Y939 WeakPolarHBondContact O-CB 3.47Å; N936-Y939 PolarHBondContact O-N 3.46Å; N936-Y939 VanDerWaalsContact O-N 3.15Å; Y939-Q941 PolarHBondContact O-N 3.45Å; Y939-G942 PolarHBondContact O-N 3.03Å; Y939-G942 VanDerWaalsContact O-N 3.08Å; Y939-F944 HydrophobicContact CD2-CB 4.27Å; Y939-F944 HydrophobicContact CD2-CD2 4.21Å; Y939-K947 HydrophobicContact CE2-CB 4.46Å; Y939-K947 WeakPolarHBondContact OH-CB 3.43Å; Y939-K947 WeakPolarHBondContact OH-CG 3.46Å; Y939-F950 HydrophobicContact CD2-CB 3.82Å; Y939-F950 AromaticContact CD2-CD2 3.85Å; Y939-F950 HydrophobicContact CD2-CD2 3.85Å; Y939-F950 AromaticContact CD2-CG 3.82Å; Y939-F950 HydrophobicContact CD2-CG 3.82Å; Y939-F950 HydrophobicContact CE2-CB 4.14Å; Y939-F950 HydrophobicContact CE2-CG 4.39Å; Y939-F950 AromaticContact CG-CD2 3.82Å; Y939-F950 HydrophobicContact CG-CD2 3.82Å; Y939-F950 HydrophobicContact CG-CE2 4.08Å; Y939-F950 HydrophobicContact CG-CG 4.1Å |
| 940 | T | 85 | Confident | 89 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 71% | 0.706 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66 | -24.7 | 175.3 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | N936 P937 G942 | N936-T940 PolarHBondContact O-N 2.82Å; N936-T940 PolarHBondContact O-OG1 2.95Å; P937-T940 WeakPolarHBondContact CA-OG1 3.44Å; P937-T940 PolarHBondContact O-N 3.09Å; P937-T940 PolarHBondContact O-OG1 2.93Å; T940-G942 VanDerWaalsContact C-N 3.26Å; T940-G942 PolarHBondContact O-N 2.98Å |
| 941 | Q | 85.1 | Confident | 89.1 | Confident | 127 Ų | 127 | 67.6 Ų | 67.6 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 11.7 | 173.1 | -69.9 | 168.9 | 7.5 | 0 | 0 | 113.5 | P937 Y938 Y939 K943 | P937-Q941 WeakPolarHBondContact O-CB 3.18Å; P937-Q941 VanDerWaalsContact O-CG 3.23Å; P937-Q941 WeakPolarHBondContact O-CG 3.39Å; P937-Q941 PolarHBondContact O-N 3.12Å; Y938-Q941 CarbonylContact O-C 3.51Å; Y938-Q941 PolarHBondContact O-N 3.29Å; Y939-Q941 PolarHBondContact O-N 3.45Å; Q941-K943 HydrophobicContact CB-CG 4.12Å; Q941-K943 PolarHBondContact O-N 3.39Å |
| 942 | G | 86.4 | Confident | 89.1 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 11.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y938 Y939 T940 F944 R989 | Y938-G942 PolarHBondContact O-N 3.39Å; Y939-G942 PolarHBondContact O-N 3.03Å; Y939-G942 VanDerWaalsContact O-N 3.08Å; T940-G942 VanDerWaalsContact C-N 3.26Å; T940-G942 PolarHBondContact O-N 2.98Å; G942-F944 PolarHBondContact O-N 2.87Å; G942-R989 PolarHBondContact O-NE 3.21Å |
| 943 | K | 87.8 | Confident | 89.1 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | trans | -69.8 | -0.9 | -175.6 | -63 | -70.2 | -172.4 | -176.4 | 0 | 114.9 | Y938 Q941 F984 Q988 C990 | Y938-K943 HydrophobicContact CD1-CG 4.39Å; Y938-K943 WeakPolarHBondContact O-CB 3Å; Y938-K943 WeakPolarHBondContact O-CG 3.34Å; Y938-K943 PolarHBondContact O-N 3.16Å; Q941-K943 HydrophobicContact CB-CG 4.12Å; Q941-K943 PolarHBondContact O-N 3.39Å; K943-F984 HydrophobicContact CB-CD1 4.2Å; K943-F984 HydrophobicContact CB-CE1 3.66Å; K943-F984 HydrophobicContact CB-CZ 4.09Å; K943-F984 HydrophobicContact CG-CE1 4.48Å; K943-Q988 WeakPolarHBondContact CD-O 3.38Å; K943-Q988 PolarHBondContact NZ-O 2.88Å; K943-C990 PolarHBondContact O-N 3.3Å | ||
| 944 | F | 91.5 | Very high | 89.1 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -122.1 | 136.3 | 170.1 | -65.7 | -90.7 | 0 | 0 | 0 | 109.5 | L935 Y939 G942 T946 L949 F950 F953 F984 C990 | L935-F944 HydrophobicContact CD2-CZ 4.18Å; Y939-F944 HydrophobicContact CD2-CB 4.27Å; Y939-F944 HydrophobicContact CD2-CD2 4.21Å; G942-F944 PolarHBondContact O-N 2.87Å; F944-T946 VanDerWaalsContact C-N 3.33Å; F944-T946 PolarHBondContact O-N 3.43Å; F944-L949 HydrophobicContact CD1-CB 4.39Å; F944-F950 HydrophobicContact CB-CB 4.47Å; F944-F950 HydrophobicContact CD1-CB 4.29Å; F944-F950 HydrophobicContact CD2-CB 4.35Å; F944-F950 HydrophobicContact CD2-CD2 4.06Å; F944-F950 AromaticContact CE2-CD2 3.87Å; F944-F950 HydrophobicContact CE2-CD2 3.87Å; F944-F950 HydrophobicContact CG-CB 4.12Å; F944-F950 HydrophobicContact CZ-CD2 4.3Å; F944-F953 HydrophobicContact CE1-CB 4.05Å; F944-F953 AromaticContact CE1-CD1 3.77Å; F944-F953 HydrophobicContact CE1-CD1 3.77Å; F944-F953 HydrophobicContact CE1-CG 4.2Å; F944-F953 AromaticContact CZ-CD1 3.68Å; F944-F953 HydrophobicContact CZ-CD1 3.68Å; F944-F953 HydrophobicContact CZ-CE1 4.28Å; F944-F984 HydrophobicContact CD2-CZ 4.42Å; F944-F984 HydrophobicContact CE1-CZ 4.22Å; F944-F984 HydrophobicContact CE2-CE2 4.24Å; F944-F984 AromaticContact CE2-CZ 3.67Å; F944-F984 HydrophobicContact CE2-CZ 3.67Å; F944-F984 HydrophobicContact CZ-CE2 4.11Å; F944-F984 AromaticContact CZ-CZ 3.55Å; F944-F984 HydrophobicContact CZ-CZ 3.55Å; F944-C990 CarbonylContact C-O 3.59Å; F944-C990 WeakPolarHBondContact CA-O 3.27Å; F944-C990 HydrophobicContact CD1-CB 3.94Å; F944-C990 HydrophobicContact CE1-CB 4.21Å |
| 945 | A | 86.4 | Confident | 89.1 | Confident | 43 Ų | 43 | 65.2 Ų | 65.2 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -66.3 | -34.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L949 C990 E991 | A945-L949 HydrophobicContact CB-CD1 4.16Å; A945-C990 PolarHBondContact N-O 2.99Å; A945-E991 HydrophobicContact CB-CB 4.37Å; A945-E991 HydrophobicContact CB-CG 4.28Å |
| 946 | T | 89.4 | Confident | 89.1 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | trans | -139.1 | 156.9 | -179.7 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | F944 V948 L949 F950 | F944-T946 VanDerWaalsContact C-N 3.33Å; F944-T946 PolarHBondContact O-N 3.43Å; T946-V948 PolarHBondContact O-N 3Å; T946-V948 PolarHBondContact OG1-N 2.98Å; T946-L949 PolarHBondContact O-N 3.37Å; T946-L949 WeakPolarHBondContact OG1-CG 3.44Å; T946-L949 PolarHBondContact OG1-N 3.08Å; T946-F950 PolarHBondContact O-N 2.84Å | ||
| 947 | K | 87.3 | Confident | 89.1 | Confident | 133 Ų | 133 | 65.3 Ų | 65.3 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.9 | -17.8 | 172.8 | -166.1 | 169.5 | -174.3 | 170.1 | 0 | 113.4 | Y939 K951 | Y939-K947 HydrophobicContact CE2-CB 4.46Å; Y939-K947 WeakPolarHBondContact OH-CB 3.43Å; Y939-K947 WeakPolarHBondContact OH-CG 3.46Å; K947-K951 WeakPolarHBondContact O-CG 3.45Å; K947-K951 PolarHBondContact O-N 2.79Å |
| 948 | V | 88.6 | Confident | 89.1 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -77.3 | -48.6 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | T946 F950 K951 S952 | T946-V948 PolarHBondContact O-N 3Å; T946-V948 PolarHBondContact OG1-N 2.98Å; V948-F950 VanDerWaalsContact C-N 3.34Å; V948-F950 PolarHBondContact O-N 2.65Å; V948-K951 PolarHBondContact O-N 3.11Å; V948-K951 VanDerWaalsContact O-N 3.07Å; V948-S952 PolarHBondContact O-N 2.83Å |
| 949 | L | 89.4 | Confident | 89.1 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 176.3 | -67.5 | 167.3 | 0 | 0 | 0 | 111.8 | F944 A945 T946 K951 S952 F953 E991 E993 W996 | F944-L949 HydrophobicContact CD1-CB 4.39Å; A945-L949 HydrophobicContact CB-CD1 4.16Å; T946-L949 PolarHBondContact O-N 3.37Å; T946-L949 WeakPolarHBondContact OG1-CG 3.44Å; T946-L949 PolarHBondContact OG1-N 3.08Å; L949-K951 VanDerWaalsContact C-N 3.32Å; L949-K951 PolarHBondContact O-N 3.16Å; L949-S952 PolarHBondContact O-N 3.27Å; L949-F953 WeakPolarHBondContact O-CB 3.33Å; L949-F953 PolarHBondContact O-N 2.56Å; L949-E991 WeakPolarHBondContact CD1-O 3.49Å; L949-E993 HydrophobicContact CD2-CG 3.79Å; L949-W996 HydrophobicContact CB-CH2 4.31Å; L949-W996 HydrophobicContact CB-CZ3 4.38Å; L949-W996 HydrophobicContact CD2-CH2 3.82Å; L949-W996 HydrophobicContact CD2-CZ3 4.09Å |
| 950 | F | 92.6 | Very high | 89 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.8 | -45.9 | 173.8 | 169.6 | -97.6 | 0 | 0 | 0 | 112.9 | V932 L935 N936 Y939 F944 T946 V948 A954 | V932-F950 HydrophobicContact CG1-CZ 4.39Å; L935-F950 HydrophobicContact CB-CD2 4.42Å; L935-F950 HydrophobicContact CB-CE2 3.67Å; L935-F950 HydrophobicContact CB-CZ 4.4Å; N936-F950 WeakPolarHBondContact OD1-CZ 3.05Å; Y939-F950 HydrophobicContact CD2-CB 3.82Å; Y939-F950 AromaticContact CD2-CD2 3.85Å; Y939-F950 HydrophobicContact CD2-CD2 3.85Å; Y939-F950 AromaticContact CD2-CG 3.82Å; Y939-F950 HydrophobicContact CD2-CG 3.82Å; Y939-F950 HydrophobicContact CE2-CB 4.14Å; Y939-F950 HydrophobicContact CE2-CG 4.39Å; Y939-F950 AromaticContact CG-CD2 3.82Å; Y939-F950 HydrophobicContact CG-CD2 3.82Å; Y939-F950 HydrophobicContact CG-CE2 4.08Å; Y939-F950 HydrophobicContact CG-CG 4.1Å; F944-F950 HydrophobicContact CB-CB 4.47Å; F944-F950 HydrophobicContact CD1-CB 4.29Å; F944-F950 HydrophobicContact CD2-CB 4.35Å; F944-F950 HydrophobicContact CD2-CD2 4.06Å; F944-F950 AromaticContact CE2-CD2 3.87Å; F944-F950 HydrophobicContact CE2-CD2 3.87Å; F944-F950 HydrophobicContact CG-CB 4.12Å; F944-F950 HydrophobicContact CZ-CD2 4.3Å; T946-F950 PolarHBondContact O-N 2.84Å; V948-F950 VanDerWaalsContact C-N 3.34Å; V948-F950 PolarHBondContact O-N 2.65Å; F950-A954 VanDerWaalsContact O-CB 3.28Å; F950-A954 WeakPolarHBondContact O-CB 3.43Å; F950-A954 PolarHBondContact O-N 3.13Å |
| 951 | K | 90.5 | Very high | 88.9 | Confident | 137 Ų | 137 | 55.4 Ų | 55.4 | 60% | 0.596 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.4 | -37.7 | 178.9 | -73.9 | 179.2 | 176.1 | -173.4 | 0 | 112.2 | K947 V948 L949 R955 | K947-K951 WeakPolarHBondContact O-CG 3.45Å; K947-K951 PolarHBondContact O-N 2.79Å; V948-K951 PolarHBondContact O-N 3.11Å; V948-K951 VanDerWaalsContact O-N 3.07Å; L949-K951 VanDerWaalsContact C-N 3.32Å; L949-K951 PolarHBondContact O-N 3.16Å; K951-R955 WeakPolarHBondContact O-CB 3.48Å; K951-R955 PolarHBondContact O-N 2.91Å |
| 952 | S | 90.3 | Very high | 88.7 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -48.8 | 178.5 | -162.7 | 0 | 0 | 0 | 0 | 111.1 | V948 L949 A954 R955 Y956 E993 | V948-S952 PolarHBondContact O-N 2.83Å; L949-S952 PolarHBondContact O-N 3.27Å; S952-A954 PolarHBondContact O-N 3.5Å; S952-R955 WeakPolarHBondContact O-CA 3.44Å; S952-R955 WeakPolarHBondContact O-CB 3.47Å; S952-R955 PolarHBondContact O-N 3.33Å; S952-Y956 PolarHBondContact O-N 3.1Å; S952-E993 WeakPolarHBondContact CB-OE1 3.46Å; S952-E993 PolarHBondContact OG-OE1 3.35Å |
| 953 | F | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 176.5 | -172.4 | -122.8 | 0 | 0 | 0 | 112.9 | L935 F944 L949 R955 Y956 L957 F983 W996 L999 | L935-F953 HydrophobicContact CD1-CD1 4.08Å; L935-F953 HydrophobicContact CD2-CD1 3.8Å; L935-F953 HydrophobicContact CD2-CE1 3.72Å; F944-F953 HydrophobicContact CE1-CB 4.05Å; F944-F953 AromaticContact CE1-CD1 3.77Å; F944-F953 HydrophobicContact CE1-CD1 3.77Å; F944-F953 HydrophobicContact CE1-CG 4.2Å; F944-F953 AromaticContact CZ-CD1 3.68Å; F944-F953 HydrophobicContact CZ-CD1 3.68Å; F944-F953 HydrophobicContact CZ-CE1 4.28Å; L949-F953 WeakPolarHBondContact O-CB 3.33Å; L949-F953 PolarHBondContact O-N 2.56Å; F953-R955 VanDerWaalsContact C-N 3.28Å; F953-R955 PolarHBondContact O-N 2.88Å; F953-Y956 HydrophobicContact CD2-CD1 4.37Å; F953-Y956 HydrophobicContact CE2-CD1 4.43Å; F953-Y956 PolarHBondContact O-N 2.95Å; F953-L957 HydrophobicContact CD1-CD1 4.14Å; F953-L957 HydrophobicContact CD2-CG 4.46Å; F953-L957 HydrophobicContact CE1-CD1 3.69Å; F953-L957 HydrophobicContact CE1-CG 4.36Å; F953-L957 HydrophobicContact CE2-CD1 4.3Å; F953-L957 HydrophobicContact CE2-CD2 4.35Å; F953-L957 HydrophobicContact CE2-CG 4.12Å; F953-L957 HydrophobicContact CZ-CD1 3.78Å; F953-L957 HydrophobicContact CZ-CD2 4.33Å; F953-L957 HydrophobicContact CZ-CG 4.09Å; F953-L957 PolarHBondContact O-N 3.01Å; F953-F983 AromaticContact CE1-CD1 3.89Å; F953-F983 HydrophobicContact CE1-CD1 3.89Å; F953-F983 HydrophobicContact CE1-CE1 4.12Å; F953-F983 HydrophobicContact CE1-CG 4.46Å; F953-F983 HydrophobicContact CE2-CD1 4.44Å; F953-F983 HydrophobicContact CE2-CD2 4.46Å; F953-F983 HydrophobicContact CE2-CE1 4.45Å; F953-F983 HydrophobicContact CE2-CE2 4.49Å; F953-F983 HydrophobicContact CE2-CG 4.44Å; F953-F983 HydrophobicContact CE2-CZ 4.48Å; F953-F983 HydrophobicContact CZ-CB 4.26Å; F953-F983 AromaticContact CZ-CD1 3.6Å; F953-F983 HydrophobicContact CZ-CD1 3.6Å; F953-F983 HydrophobicContact CZ-CD2 4.2Å; F953-F983 AromaticContact CZ-CE1 3.94Å; F953-F983 HydrophobicContact CZ-CE1 3.94Å; F953-F983 HydrophobicContact CZ-CE2 4.49Å; F953-F983 AromaticContact CZ-CG 3.74Å; F953-F983 HydrophobicContact CZ-CG 3.74Å; F953-F983 HydrophobicContact CZ-CZ 4.37Å; F953-W996 HydrophobicContact CB-CD2 4.29Å; F953-W996 HydrophobicContact CB-CE3 4.09Å; F953-W996 HydrophobicContact CB-CH2 4Å; F953-W996 HydrophobicContact CB-CZ2 4.21Å; F953-W996 HydrophobicContact CB-CZ3 3.94Å; F953-W996 HydrophobicContact CD2-CB 3.78Å; F953-W996 AromaticContact CD2-CD2 3.48Å; F953-W996 HydrophobicContact CD2-CD2 3.48Å; F953-W996 VanDerWaalsContact CD2-CD2 3.48Å; F953-W996 AromaticContact CD2-CE3 3.74Å; F953-W996 HydrophobicContact CD2-CE3 3.74Å; F953-W996 AromaticContact CD2-CG 3.52Å; F953-W996 HydrophobicContact CD2-CG 3.52Å; F953-W996 HydrophobicContact CD2-CZ3 4.45Å; F953-W996 HydrophobicContact CE2-CB 3.52Å; F953-W996 HydrophobicContact CE2-CD2 4.19Å; F953-W996 HydrophobicContact CE2-CE3 4.49Å; F953-W996 AromaticContact CE2-CG 3.81Å; F953-W996 HydrophobicContact CE2-CG 3.81Å; F953-W996 HydrophobicContact CG-CD2 4.25Å; F953-W996 HydrophobicContact CG-CE3 4.14Å; F953-W996 HydrophobicContact CG-CZ3 4.47Å; F953-L999 HydrophobicContact CE2-CD2 3.66Å; F953-L999 HydrophobicContact CZ-CD2 3.74Å |
| 954 | A | 92.5 | Very high | 86.5 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V931 V932 L935 F950 S952 S958 | V931-A954 HydrophobicContact CG1-CB 4.15Å; V931-A954 WeakPolarHBondContact CG1-O 3.39Å; V932-A954 HydrophobicContact CG2-CB 4.09Å; L935-A954 HydrophobicContact CD1-CB 3.65Å; F950-A954 VanDerWaalsContact O-CB 3.28Å; F950-A954 WeakPolarHBondContact O-CB 3.43Å; F950-A954 PolarHBondContact O-N 3.13Å; S952-A954 PolarHBondContact O-N 3.5Å; A954-S958 WeakPolarHBondContact O-CB 3.42Å; A954-S958 PolarHBondContact O-N 3.08Å; A954-S958 VanDerWaalsContact O-N 3.09Å; A954-S958 PolarHBondContact O-OG 2.88Å |
| 955 | R | 91.4 | Very high | 84.9 | Confident | 181 Ų | 181 | 64 Ų | 64 | 68% | 0.683 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.2 | -45.8 | 175.8 | -166.6 | 177.1 | -162.4 | 148.1 | 4.9 | 111.6 | K951 S952 F953 S958 H959 | K951-R955 WeakPolarHBondContact O-CB 3.48Å; K951-R955 PolarHBondContact O-N 2.91Å; S952-R955 WeakPolarHBondContact O-CA 3.44Å; S952-R955 WeakPolarHBondContact O-CB 3.47Å; S952-R955 PolarHBondContact O-N 3.33Å; F953-R955 VanDerWaalsContact C-N 3.28Å; F953-R955 PolarHBondContact O-N 2.88Å; R955-S958 WeakPolarHBondContact O-CB 3.44Å; R955-S958 PolarHBondContact O-N 2.98Å; R955-H959 PolarHBondContact O-CD2 3.24Å; R955-H959 PolarHBondContact O-N 3.31Å |
| 956 | Y | 90.8 | Very high | 83.3 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 29% | 0.29 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.5 | -54 | 176.5 | 176.5 | -103.5 | 0 | 0 | 0 | 111.7 | S952 F953 S958 H959 L960 W996 L999 | S952-Y956 PolarHBondContact O-N 3.1Å; F953-Y956 HydrophobicContact CD2-CD1 4.37Å; F953-Y956 HydrophobicContact CE2-CD1 4.43Å; F953-Y956 PolarHBondContact O-N 2.95Å; Y956-S958 VanDerWaalsContact C-N 3.28Å; Y956-S958 PolarHBondContact O-N 2.9Å; Y956-H959 PolarHBondContact O-N 3.24Å; Y956-L960 HydrophobicContact CE1-CD2 4.09Å; Y956-L960 WeakPolarHBondContact O-CB 3.23Å; Y956-L960 PolarHBondContact O-N 3.03Å; Y956-W996 AromaticContact CD1-CD1 3.72Å; Y956-W996 HydrophobicContact CD1-CG 4.49Å; Y956-W996 AromaticContact CE1-CD1 4Å; Y956-W996 AromaticContact CG-CD1 3.92Å; Y956-W996 AromaticContact CG-NE1 3.98Å; Y956-L999 HydrophobicContact CE1-CB 4.39Å; Y956-L999 PolarHBondContact OH-O 2.9Å; Y956-L999 VanDerWaalsContact OH-O 3.11Å |
| 957 | L | 89.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 177.1 | -72.6 | -178.7 | 0 | 0 | 0 | 112.5 | V931 L935 F953 L960 L961 L979 I980 L999 | V931-L957 HydrophobicContact CG1-CB 3.88Å; V931-L957 HydrophobicContact CG1-CD1 4.3Å; V931-L957 HydrophobicContact CG2-CB 4.26Å; L935-L957 HydrophobicContact CD1-CD1 4.29Å; L935-L957 HydrophobicContact CD2-CD1 4.33Å; F953-L957 HydrophobicContact CD1-CD1 4.14Å; F953-L957 HydrophobicContact CD2-CG 4.46Å; F953-L957 HydrophobicContact CE1-CD1 3.69Å; F953-L957 HydrophobicContact CE1-CG 4.36Å; F953-L957 HydrophobicContact CE2-CD1 4.3Å; F953-L957 HydrophobicContact CE2-CD2 4.35Å; F953-L957 HydrophobicContact CE2-CG 4.12Å; F953-L957 HydrophobicContact CZ-CD1 3.78Å; F953-L957 HydrophobicContact CZ-CD2 4.33Å; F953-L957 HydrophobicContact CZ-CG 4.09Å; F953-L957 PolarHBondContact O-N 3.01Å; L957-L960 HydrophobicContact CD2-CD2 4.4Å; L957-L961 WeakPolarHBondContact O-CB 3.48Å; L957-L961 VanDerWaalsContact O-CD1 3.3Å; L957-L961 WeakPolarHBondContact O-CD1 3.19Å; L957-L961 VanDerWaalsContact O-CG 3.24Å; L957-L961 WeakPolarHBondContact O-CG 3.31Å; L957-L961 PolarHBondContact O-N 3.43Å; L957-L961 VanDerWaalsContact O-N 3.13Å; L957-L979 HydrophobicContact CD2-CB 4.2Å; L957-L979 HydrophobicContact CD2-CD1 4.12Å; L957-I980 HydrophobicContact CD1-CD1 4.47Å; L957-I980 HydrophobicContact CD1-CG1 3.89Å; L957-L999 HydrophobicContact CD2-CD2 3.89Å |
| 958 | S | 90.8 | Very high | 81.6 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | A928 A954 R955 Y956 T962 | A928-S958 VanDerWaalsContact CA-OG 3.28Å; A928-S958 WeakPolarHBondContact CA-OG 3.47Å; A954-S958 WeakPolarHBondContact O-CB 3.42Å; A954-S958 PolarHBondContact O-N 3.08Å; A954-S958 VanDerWaalsContact O-N 3.09Å; A954-S958 PolarHBondContact O-OG 2.88Å; R955-S958 WeakPolarHBondContact O-CB 3.44Å; R955-S958 PolarHBondContact O-N 2.98Å; Y956-S958 VanDerWaalsContact C-N 3.28Å; Y956-S958 PolarHBondContact O-N 2.9Å; S958-T962 PolarHBondContact O-N 2.79Å; S958-T962 PolarHBondContact O-OG1 3.04Å |
| 959 | H | 87.4 | Confident | 81 | Confident | 74 Ų | 74 | 64 Ų | 64 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -51.6 | 177.1 | -84.5 | -90.4 | 0 | 0 | 0 | 112 | R955 Y956 L961 T962 E963 | R955-H959 PolarHBondContact O-CD2 3.24Å; R955-H959 PolarHBondContact O-N 3.31Å; Y956-H959 PolarHBondContact O-N 3.24Å; H959-L961 PolarHBondContact O-N 3.15Å; H959-L961 VanDerWaalsContact O-N 3.08Å; H959-T962 WeakPolarHBondContact CA-OG1 3.48Å; H959-T962 PolarHBondContact O-N 3.28Å; H959-T962 PolarHBondContact O-OG1 3.06Å; H959-E963 WeakPolarHBondContact O-CG 3.34Å; H959-E963 PolarHBondContact O-N 2.86Å |
| 960 | L | 85.2 | Confident | 80.5 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.8 | -34.4 | 179.8 | -176.1 | 68.4 | 0 | 0 | 0 | 113 | Y956 L957 L979 R1001 | Y956-L960 HydrophobicContact CE1-CD2 4.09Å; Y956-L960 WeakPolarHBondContact O-CB 3.23Å; Y956-L960 PolarHBondContact O-N 3.03Å; L957-L960 HydrophobicContact CD2-CD2 4.4Å; L960-L979 HydrophobicContact CD2-CD1 4.28Å; L960-R1001 PolarHBondContact O-NH1 3.2Å |
| 961 | L | 81.6 | Confident | 80 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -80.2 | -33.8 | 178.7 | -71.4 | 165.7 | 0 | 0 | 0 | 113.3 | T927 V931 L957 H959 E975 V976 L979 R1001 | T927-L961 HydrophobicContact CG2-CB 3.89Å; T927-L961 HydrophobicContact CG2-CD1 4.31Å; V931-L961 HydrophobicContact CG2-CD1 3.9Å; L957-L961 WeakPolarHBondContact O-CB 3.48Å; L957-L961 VanDerWaalsContact O-CD1 3.3Å; L957-L961 WeakPolarHBondContact O-CD1 3.19Å; L957-L961 VanDerWaalsContact O-CG 3.24Å; L957-L961 WeakPolarHBondContact O-CG 3.31Å; L957-L961 PolarHBondContact O-N 3.43Å; L957-L961 VanDerWaalsContact O-N 3.13Å; H959-L961 PolarHBondContact O-N 3.15Å; H959-L961 VanDerWaalsContact O-N 3.08Å; L961-E975 HydrophobicContact CD2-CB 3.6Å; L961-V976 HydrophobicContact CD1-CB 4.41Å; L961-V976 HydrophobicContact CD1-CG2 3.24Å; L961-L979 HydrophobicContact CD2-CD1 3.89Å; L961-L979 HydrophobicContact CG-CD1 4.3Å; L961-R1001 PolarHBondContact O-NH1 2.69Å; L961-R1001 PolarHBondContact O-NH2 3.44Å |
| 962 | T | 80.7 | Confident | 79.6 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -76.5 | -18.8 | 174.8 | 42.5 | 0 | 0 | 0 | 0 | 114.9 | L924 T927 S958 H959 G964 | L924-T962 HydrophobicContact CB-CG2 4.14Å; L924-T962 HydrophobicContact CD1-CG2 3.79Å; L924-T962 WeakPolarHBondContact CD1-OG1 3.43Å; T927-T962 HydrophobicContact CG2-CG2 4.36Å; S958-T962 PolarHBondContact O-N 2.79Å; S958-T962 PolarHBondContact O-OG1 3.04Å; H959-T962 WeakPolarHBondContact CA-OG1 3.48Å; H959-T962 PolarHBondContact O-N 3.28Å; H959-T962 PolarHBondContact O-OG1 3.06Å; T962-G964 PolarHBondContact O-N 3.46Å |
| 963 | E | 71.8 | Confident | 79.3 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -73.8 | 42.1 | -176.2 | -77.5 | 169.5 | -176.4 | 0 | 0 | 114.6 | H959 | H959-E963 WeakPolarHBondContact O-CG 3.34Å; H959-E963 PolarHBondContact O-N 2.86Å |
| 964 | G | 57.8 | Low | 78.9 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 27% | 0.268 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 179.5 | 87.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | T962 R967 | T962-G964 PolarHBondContact O-N 3.46Å; G964-R967 PolarHBondContact O-NE 3.18Å; G964-R967 PolarHBondContact O-NH2 2.83Å |
| 965 | K | 58.2 | Low | 78.5 | Confident | 204 Ų | 204 | 70.4 Ų | 70.4 | 89% | 0.887 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 54.4 | 166.6 | 174 | -73.5 | -174.2 | 176.6 | -178.9 | 0 | 115.8 | R967 | K965-R967 WeakPolarHBondContact O-CG 3.21Å; K965-R967 PolarHBondContact O-N 3.06Å |
| 966 | S | 52.9 | Low | 78.5 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 56% | 0.559 | 31% | 0.309 | S | S | * | . | trans | -62.9 | 112.5 | -177.1 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 967 | R | 63.9 | Low | 78.3 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | trans | -113 | 153 | 178.7 | -58.1 | -169.3 | -173.1 | -140.2 | -9.4 | 112.1 | V922 G964 K965 V972 E975 R1001 | V922-R967 VanDerWaalsContact CG2-O 3.3Å; V922-R967 WeakPolarHBondContact CG2-O 3.49Å; V922-R967 PolarHBondContact N-O 3.43Å; G964-R967 PolarHBondContact O-NE 3.18Å; G964-R967 PolarHBondContact O-NH2 2.83Å; K965-R967 WeakPolarHBondContact O-CG 3.21Å; K965-R967 PolarHBondContact O-N 3.06Å; R967-V972 HydrophobicContact CB-CG2 4.31Å; R967-E975 IonicContact CZ-OE1 2.69Å; R967-E975 IonicContact NH1-OE1 3.66Å; R967-E975 PolarHBondContact NH1-OE1 3.36Å; R967-E975 IonicContact NH1-OE2 3.16Å; R967-E975 PolarHBondContact NH1-OE2 3.21Å; R967-R1001 VanDerWaalsContact CZ-CZ 3.42Å | ||
| 968 | E | 75.6 | Confident | 78.2 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | trans | -72.8 | 149.7 | 171.1 | -67.9 | -168 | 169.2 | 0 | 0 | 113 | V919 N970 Q971 V972 | V919-E968 HydrophobicContact CG1-CG 4.3Å; E968-N970 PolarHBondContact O-N 3.03Å; E968-N970 VanDerWaalsContact O-N 3.11Å; E968-Q971 PolarHBondContact O-N 3.05Å; E968-Q971 VanDerWaalsContact O-N 3.1Å; E968-V972 PolarHBondContact O-N 3.17Å | ||
| 969 | K | 76.9 | Confident | 78 | Confident | 93 Ų | 93 | 67.2 Ų | 67.2 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -23.9 | 179.6 | -161.5 | 165.6 | -170.9 | 156.1 | 0 | 114.1 | V922 E926 I930 K973 | V922-K969 HydrophobicContact CG2-CB 3.85Å; V922-K969 HydrophobicContact CG2-CG 4.36Å; E926-K969 IonicContact OE1-NZ 2.82Å; E926-K969 PolarHBondContact OE1-NZ 3.13Å; I930-K969 HydrophobicContact CD1-CG 3.97Å; K969-K973 VanDerWaalsContact O-CG 3.29Å; K969-K973 WeakPolarHBondContact O-CG 3.23Å |
| 970 | N | 78.6 | Confident | 78.1 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 57% | 0.567 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -81.5 | -35.2 | 178 | -68.7 | -25.4 | 0 | 0 | 0 | 112.3 | E968 K973 S974 | E968-N970 PolarHBondContact O-N 3.03Å; E968-N970 VanDerWaalsContact O-N 3.11Å; N970-K973 PolarHBondContact O-N 3.09Å; N970-K973 PolarHBondContact OD1-NZ 2.93Å; N970-S974 PolarHBondContact O-N 3.45Å |
| 971 | Q | 80.9 | Confident | 78.2 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 175.7 | -164.4 | 175.7 | 36.1 | 0 | 0 | 111.8 | E968 K973 S974 E975 | E968-Q971 PolarHBondContact O-N 3.05Å; E968-Q971 VanDerWaalsContact O-N 3.1Å; Q971-K973 VanDerWaalsContact C-N 3.31Å; Q971-K973 PolarHBondContact O-N 3.26Å; Q971-S974 PolarHBondContact O-N 3.49Å; Q971-S974 PolarHBondContact O-OG 2.84Å; Q971-E975 PolarHBondContact O-N 3.36Å |
| 972 | V | 82.4 | Confident | 78.4 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 172.3 | 179 | 0 | 0 | 0 | 0 | 111 | T927 I930 R967 E968 S974 V976 | T927-V972 HydrophobicContact CG2-CG1 3.97Å; I930-V972 HydrophobicContact CD1-CG1 4.43Å; R967-V972 HydrophobicContact CB-CG2 4.31Å; E968-V972 PolarHBondContact O-N 3.17Å; V972-S974 PolarHBondContact O-N 2.98Å; V972-V976 HydrophobicContact CG1-CG2 4.29Å; V972-V976 WeakPolarHBondContact O-CB 3.42Å; V972-V976 WeakPolarHBondContact O-CG2 3.37Å; V972-V976 PolarHBondContact O-N 2.73Å |
| 973 | K | 85.4 | Confident | 78.8 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 178.2 | -69.3 | 166.9 | -170.4 | 165.3 | 0 | 113.3 | I930 Y934 K969 N970 Q971 K977 | I930-K973 HydrophobicContact CD1-CG 4.42Å; I930-K973 HydrophobicContact CG2-CG 3.85Å; Y934-K973 HydrophobicContact CE2-CB 4.23Å; Y934-K973 HydrophobicContact CE2-CG 4.23Å; K969-K973 VanDerWaalsContact O-CG 3.29Å; K969-K973 WeakPolarHBondContact O-CG 3.23Å; N970-K973 PolarHBondContact O-N 3.09Å; N970-K973 PolarHBondContact OD1-NZ 2.93Å; Q971-K973 VanDerWaalsContact C-N 3.31Å; Q971-K973 PolarHBondContact O-N 3.26Å; K973-K977 WeakPolarHBondContact O-CG 3.02Å; K973-K977 PolarHBondContact O-N 3.01Å |
| 974 | S | 83.6 | Confident | 79.5 | Confident | 64 Ų | 64 | 65 Ų | 65 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.2 | -45 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | N970 Q971 V972 V976 K977 V978 | N970-S974 PolarHBondContact O-N 3.45Å; Q971-S974 PolarHBondContact O-N 3.49Å; Q971-S974 PolarHBondContact O-OG 2.84Å; V972-S974 PolarHBondContact O-N 2.98Å; S974-V976 PolarHBondContact O-N 2.71Å; S974-K977 PolarHBondContact O-N 2.83Å; S974-V978 WeakPolarHBondContact O-CG2 3.42Å; S974-V978 PolarHBondContact O-N 3.47Å |
| 975 | E | 84.6 | Confident | 80.8 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.3 | -73.6 | 178.6 | -140.2 | 0 | 0 | 112.2 | L961 R967 Q971 K977 V978 L979 R1001 | L961-E975 HydrophobicContact CD2-CB 3.6Å; R967-E975 IonicContact CZ-OE1 2.69Å; R967-E975 IonicContact NH1-OE1 3.66Å; R967-E975 PolarHBondContact NH1-OE1 3.36Å; R967-E975 IonicContact NH1-OE2 3.16Å; R967-E975 PolarHBondContact NH1-OE2 3.21Å; Q971-E975 PolarHBondContact O-N 3.36Å; E975-K977 PolarHBondContact O-N 3.47Å; E975-V978 PolarHBondContact O-N 2.96Å; E975-L979 WeakPolarHBondContact O-CB 3.43Å; E975-L979 WeakPolarHBondContact O-CG 3.17Å; E975-L979 PolarHBondContact O-N 2.92Å; E975-R1001 IonicContact OE2-CZ 3.89Å; E975-R1001 IonicContact OE2-NE 3.48Å; E975-R1001 PolarHBondContact OE2-NE 3Å; E975-R1001 IonicContact OE2-NH2 3.78Å; E975-R1001 PolarHBondContact OE2-NH2 3.15Å |
| 976 | V | 89.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.3 | -49.4 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | I930 V931 Y934 L961 V972 S974 V978 L979 I980 | I930-V976 HydrophobicContact CG2-CG2 4.22Å; V931-V976 HydrophobicContact CG2-CG1 4.49Å; V931-V976 HydrophobicContact CG2-CG2 3.77Å; Y934-V976 HydrophobicContact CD2-CB 4.31Å; Y934-V976 HydrophobicContact CD2-CG1 3.67Å; Y934-V976 HydrophobicContact CG-CG1 4.06Å; L961-V976 HydrophobicContact CD1-CB 4.41Å; L961-V976 HydrophobicContact CD1-CG2 3.24Å; V972-V976 HydrophobicContact CG1-CG2 4.29Å; V972-V976 WeakPolarHBondContact O-CB 3.42Å; V972-V976 WeakPolarHBondContact O-CG2 3.37Å; V972-V976 PolarHBondContact O-N 2.73Å; S974-V976 PolarHBondContact O-N 2.71Å; V976-V978 VanDerWaalsContact C-N 3.33Å; V976-V978 PolarHBondContact O-N 2.86Å; V976-L979 PolarHBondContact O-N 3.01Å; V976-I980 HydrophobicContact CG1-CD1 3.51Å; V976-I980 HydrophobicContact CG1-CG1 4.38Å; V976-I980 WeakPolarHBondContact O-CB 3.49Å; V976-I980 VanDerWaalsContact O-CG1 3.26Å; V976-I980 WeakPolarHBondContact O-CG1 3.49Å; V976-I980 PolarHBondContact O-N 3.09Å |
| 977 | K | 86.8 | Confident | 83.2 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | -179.8 | -76.6 | 176.2 | 177.6 | -175.2 | 0 | 112 | Y934 K973 S974 E975 K981 | Y934-K977 HydrophobicContact CD1-CG 4.13Å; Y934-K977 HydrophobicContact CE1-CD 4.34Å; Y934-K977 HydrophobicContact CE1-CG 4.1Å; Y934-K977 HydrophobicContact CE2-CG 4.45Å; Y934-K977 HydrophobicContact CG-CG 4.37Å; Y934-K977 WeakPolarHBondContact OH-CE 2.97Å; K973-K977 WeakPolarHBondContact O-CG 3.02Å; K973-K977 PolarHBondContact O-N 3.01Å; S974-K977 PolarHBondContact O-N 2.83Å; E975-K977 PolarHBondContact O-N 3.47Å; K977-K981 VanDerWaalsContact O-CB 3.23Å; K977-K981 WeakPolarHBondContact O-CB 3.41Å; K977-K981 PolarHBondContact O-N 3.44Å |
| 978 | V | 87.6 | Confident | 84 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -52.3 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | S974 E975 V976 I980 K981 T982 | S974-V978 WeakPolarHBondContact O-CG2 3.42Å; S974-V978 PolarHBondContact O-N 3.47Å; E975-V978 PolarHBondContact O-N 2.96Å; V976-V978 VanDerWaalsContact C-N 3.33Å; V976-V978 PolarHBondContact O-N 2.86Å; V978-I980 PolarHBondContact O-N 2.87Å; V978-K981 PolarHBondContact O-N 3.49Å; V978-T982 WeakPolarHBondContact O-CB 3.48Å; V978-T982 PolarHBondContact O-N 3.18Å; V978-T982 PolarHBondContact O-OG1 2.84Å; V978-T982 VanDerWaalsContact O-OG1 3.09Å |
| 979 | L | 87.5 | Confident | 84.6 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | -179.2 | -73.5 | 170.7 | 0 | 0 | 0 | 112.6 | L957 L960 L961 E975 V976 F983 L999 | L957-L979 HydrophobicContact CD2-CB 4.2Å; L957-L979 HydrophobicContact CD2-CD1 4.12Å; L960-L979 HydrophobicContact CD2-CD1 4.28Å; L961-L979 HydrophobicContact CD2-CD1 3.89Å; L961-L979 HydrophobicContact CG-CD1 4.3Å; E975-L979 WeakPolarHBondContact O-CB 3.43Å; E975-L979 WeakPolarHBondContact O-CG 3.17Å; E975-L979 PolarHBondContact O-N 2.92Å; V976-L979 PolarHBondContact O-N 3.01Å; L979-F983 VanDerWaalsContact O-CB 3.29Å; L979-F983 WeakPolarHBondContact O-CB 3.37Å; L979-F983 PolarHBondContact O-N 3.16Å; L979-L999 HydrophobicContact CD2-CD1 4.43Å; L979-L999 HydrophobicContact CD2-CG 4.42Å |
| 980 | I | 89.3 | Confident | 85.1 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 178.2 | -65.5 | 170.8 | 0 | 0 | 0 | 110.8 | L935 Y938 L957 V976 V978 F983 F984 | L935-I980 HydrophobicContact CD2-CD1 3.61Å; L935-I980 HydrophobicContact CD2-CG1 3.7Å; L935-I980 HydrophobicContact CD2-CG2 4.15Å; L935-I980 HydrophobicContact CG-CD1 3.72Å; L935-I980 HydrophobicContact CG-CG1 4.31Å; Y938-I980 HydrophobicContact CD2-CG2 3.69Å; Y938-I980 HydrophobicContact CE1-CG2 4.42Å; Y938-I980 HydrophobicContact CE2-CG2 3.38Å; Y938-I980 HydrophobicContact CG-CG2 4.35Å; L957-I980 HydrophobicContact CD1-CD1 4.47Å; L957-I980 HydrophobicContact CD1-CG1 3.89Å; V976-I980 HydrophobicContact CG1-CD1 3.51Å; V976-I980 HydrophobicContact CG1-CG1 4.38Å; V976-I980 WeakPolarHBondContact O-CB 3.49Å; V976-I980 VanDerWaalsContact O-CG1 3.26Å; V976-I980 WeakPolarHBondContact O-CG1 3.49Å; V976-I980 PolarHBondContact O-N 3.09Å; V978-I980 PolarHBondContact O-N 2.87Å; I980-F983 PolarHBondContact O-N 3.29Å; I980-F984 HydrophobicContact CG2-CD2 3.84Å; I980-F984 HydrophobicContact CG2-CE2 4.15Å; I980-F984 WeakPolarHBondContact O-CD2 3.3Å; I980-F984 PolarHBondContact O-N 3.09Å |
| 981 | K | 87.1 | Confident | 85.5 | Confident | 151 Ų | 151 | 68.4 Ų | 68.4 | 66% | 0.657 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.7 | -41.9 | 179.5 | -170.1 | 177.4 | -179.1 | -176.2 | 0 | 112 | K977 V978 S985 | K977-K981 VanDerWaalsContact O-CB 3.23Å; K977-K981 WeakPolarHBondContact O-CB 3.41Å; K977-K981 PolarHBondContact O-N 3.44Å; V978-K981 PolarHBondContact O-N 3.49Å; K981-S985 WeakPolarHBondContact O-CB 3.34Å; K981-S985 PolarHBondContact O-N 3.14Å; K981-S985 PolarHBondContact O-OG 2.7Å |
| 982 | T | 86.1 | Confident | 85.8 | Confident | 59 Ų | 59 | 66.8 Ų | 66.8 | 36% | 0.362 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | V978 S985 | V978-T982 WeakPolarHBondContact O-CB 3.48Å; V978-T982 PolarHBondContact O-N 3.18Å; V978-T982 PolarHBondContact O-OG1 2.84Å; V978-T982 VanDerWaalsContact O-OG1 3.09Å; T982-S985 PolarHBondContact O-OG 3.19Å |
| 983 | F | 88.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65 | -55.3 | 174.1 | -179.5 | -107.1 | 0 | 0 | 0 | 111.2 | F953 L979 I980 S985 R986 V987 C990 D995 W996 L999 | F953-F983 AromaticContact CE1-CD1 3.89Å; F953-F983 HydrophobicContact CE1-CD1 3.89Å; F953-F983 HydrophobicContact CE1-CE1 4.12Å; F953-F983 HydrophobicContact CE1-CG 4.46Å; F953-F983 HydrophobicContact CE2-CD1 4.44Å; F953-F983 HydrophobicContact CE2-CD2 4.46Å; F953-F983 HydrophobicContact CE2-CE1 4.45Å; F953-F983 HydrophobicContact CE2-CE2 4.49Å; F953-F983 HydrophobicContact CE2-CG 4.44Å; F953-F983 HydrophobicContact CE2-CZ 4.48Å; F953-F983 HydrophobicContact CZ-CB 4.26Å; F953-F983 AromaticContact CZ-CD1 3.6Å; F953-F983 HydrophobicContact CZ-CD1 3.6Å; F953-F983 HydrophobicContact CZ-CD2 4.2Å; F953-F983 AromaticContact CZ-CE1 3.94Å; F953-F983 HydrophobicContact CZ-CE1 3.94Å; F953-F983 HydrophobicContact CZ-CE2 4.49Å; F953-F983 AromaticContact CZ-CG 3.74Å; F953-F983 HydrophobicContact CZ-CG 3.74Å; F953-F983 HydrophobicContact CZ-CZ 4.37Å; L979-F983 VanDerWaalsContact O-CB 3.29Å; L979-F983 WeakPolarHBondContact O-CB 3.37Å; L979-F983 PolarHBondContact O-N 3.16Å; I980-F983 PolarHBondContact O-N 3.29Å; F983-S985 VanDerWaalsContact C-N 3.25Å; F983-S985 PolarHBondContact O-N 3.38Å; F983-R986 PolarHBondContact O-N 2.7Å; F983-V987 HydrophobicContact CD2-CG2 4.27Å; F983-V987 HydrophobicContact CE1-CB 4.28Å; F983-V987 HydrophobicContact CE1-CG1 4.32Å; F983-V987 HydrophobicContact CE2-CB 4.25Å; F983-V987 HydrophobicContact CE2-CG2 3.77Å; F983-V987 HydrophobicContact CZ-CB 4.04Å; F983-V987 HydrophobicContact CZ-CG1 4.03Å; F983-V987 HydrophobicContact CZ-CG2 4Å; F983-V987 PolarHBondContact O-N 3.05Å; F983-C990 HydrophobicContact CE1-CB 4.09Å; F983-C990 HydrophobicContact CZ-CB 4.15Å; F983-D995 HydrophobicContact CE2-CB 4.39Å; F983-D995 HydrophobicContact CZ-CB 4.19Å; F983-W996 HydrophobicContact CD2-CB 4.29Å; F983-W996 HydrophobicContact CE2-CB 3.64Å; F983-W996 HydrophobicContact CZ-CB 4.14Å; F983-L999 HydrophobicContact CB-CD1 4.16Å; F983-L999 HydrophobicContact CB-CD2 4.13Å; F983-L999 HydrophobicContact CD2-CD1 4.41Å; F983-L999 HydrophobicContact CD2-CD2 4.1Å; F983-L999 HydrophobicContact CG-CD2 4.31Å |
| 984 | F | 86.6 | Confident | 85.8 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 11% | 0.114 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -74.9 | -6.6 | -178.3 | -73.9 | -63.4 | 0 | 0 | 0 | 115.1 | L935 Y938 K943 F944 I980 R986 V987 | L935-F984 HydrophobicContact CD2-CE2 4.46Å; Y938-F984 HydrophobicContact CD1-CB 4.19Å; Y938-F984 HydrophobicContact CD1-CD1 4.43Å; Y938-F984 AromaticContact CD1-CD2 3.38Å; Y938-F984 HydrophobicContact CD1-CD2 3.38Å; Y938-F984 AromaticContact CD1-CE2 3.82Å; Y938-F984 HydrophobicContact CD1-CE2 3.82Å; Y938-F984 AromaticContact CD1-CG 3.74Å; Y938-F984 HydrophobicContact CD1-CG 3.74Å; Y938-F984 HydrophobicContact CD2-CD2 4.46Å; Y938-F984 HydrophobicContact CE1-CB 3.98Å; Y938-F984 AromaticContact CE1-CD2 3.74Å; Y938-F984 HydrophobicContact CE1-CD2 3.74Å; Y938-F984 HydrophobicContact CE1-CG 4.02Å; Y938-F984 AromaticContact CG-CD2 3.79Å; Y938-F984 HydrophobicContact CG-CD2 3.79Å; Y938-F984 AromaticContact CG-CE2 3.79Å; Y938-F984 HydrophobicContact CG-CE2 3.79Å; K943-F984 HydrophobicContact CB-CD1 4.2Å; K943-F984 HydrophobicContact CB-CE1 3.66Å; K943-F984 HydrophobicContact CB-CZ 4.09Å; K943-F984 HydrophobicContact CG-CE1 4.48Å; F944-F984 HydrophobicContact CD2-CZ 4.42Å; F944-F984 HydrophobicContact CE1-CZ 4.22Å; F944-F984 HydrophobicContact CE2-CE2 4.24Å; F944-F984 AromaticContact CE2-CZ 3.67Å; F944-F984 HydrophobicContact CE2-CZ 3.67Å; F944-F984 HydrophobicContact CZ-CE2 4.11Å; F944-F984 AromaticContact CZ-CZ 3.55Å; F944-F984 HydrophobicContact CZ-CZ 3.55Å; I980-F984 HydrophobicContact CG2-CD2 3.84Å; I980-F984 HydrophobicContact CG2-CE2 4.15Å; I980-F984 WeakPolarHBondContact O-CD2 3.3Å; I980-F984 PolarHBondContact O-N 3.09Å; F984-R986 VanDerWaalsContact C-N 3.32Å; F984-V987 WeakPolarHBondContact CD1-O 3.26Å |
| 985 | S | 83.9 | Confident | 85.8 | Confident | 93 Ų | 93 | 70.8 Ų | 70.8 | 65% | 0.65 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.9 | 165.3 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | K981 T982 F983 | K981-S985 WeakPolarHBondContact O-CB 3.34Å; K981-S985 PolarHBondContact O-N 3.14Å; K981-S985 PolarHBondContact O-OG 2.7Å; T982-S985 PolarHBondContact O-OG 3.19Å; F983-S985 VanDerWaalsContact C-N 3.25Å; F983-S985 PolarHBondContact O-N 3.38Å |
| 986 | R | 80.3 | Confident | 85.7 | Confident | 213 Ų | 213 | 70.2 Ų | 70.2 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -36.8 | 178.3 | -65.9 | -178.4 | 177 | -176.5 | -1.5 | 112.4 | F983 F984 | F983-R986 PolarHBondContact O-N 2.7Å; F984-R986 VanDerWaalsContact C-N 3.32Å |
| 987 | V | 81.6 | Confident | 84.9 | Confident | 30 Ų | 30 | 73.3 Ų | 73.3 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | trans | -106 | 110 | -178.3 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | F983 F984 R989 C990 | F983-V987 HydrophobicContact CD2-CG2 4.27Å; F983-V987 HydrophobicContact CE1-CB 4.28Å; F983-V987 HydrophobicContact CE1-CG1 4.32Å; F983-V987 HydrophobicContact CE2-CB 4.25Å; F983-V987 HydrophobicContact CE2-CG2 3.77Å; F983-V987 HydrophobicContact CZ-CB 4.04Å; F983-V987 HydrophobicContact CZ-CG1 4.03Å; F983-V987 HydrophobicContact CZ-CG2 4Å; F983-V987 PolarHBondContact O-N 3.05Å; F984-V987 WeakPolarHBondContact CD1-O 3.26Å; V987-R989 VanDerWaalsContact C-N 3.34Å; V987-R989 WeakPolarHBondContact CG1-O 3.39Å; V987-R989 PolarHBondContact O-N 3.21Å; V987-C990 HydrophobicContact CG1-CB 4.27Å | ||
| 988 | Q | 82 | Confident | 84.1 | Confident | 169 Ų | 169 | 75 Ų | 75 | 79% | 0.79 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -67.8 | -34.3 | -179.5 | -76.5 | -161.6 | 4.4 | 0 | 0 | 113.1 | K943 | K943-Q988 WeakPolarHBondContact CD-O 3.38Å; K943-Q988 PolarHBondContact NZ-O 2.88Å |
| 989 | R | 87.8 | Confident | 83.7 | Confident | 126 Ų | 126 | 72.3 Ų | 72.3 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -151.1 | 138 | 174.8 | -170.6 | -176.9 | -165.1 | -160.5 | 4.7 | 107.9 | G942 V987 E991 | G942-R989 PolarHBondContact O-NE 3.21Å; V987-R989 VanDerWaalsContact C-N 3.34Å; V987-R989 WeakPolarHBondContact CG1-O 3.39Å; V987-R989 PolarHBondContact O-N 3.21Å; R989-E991 HydrophobicContact CG-CG 4.4Å; R989-E991 IonicContact NH1-OE1 3.25Å |
| 990 | C | 86.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -94.8 | 119.7 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | K943 F944 A945 F983 V987 D995 W996 | K943-C990 PolarHBondContact O-N 3.3Å; F944-C990 CarbonylContact C-O 3.59Å; F944-C990 WeakPolarHBondContact CA-O 3.27Å; F944-C990 HydrophobicContact CD1-CB 3.94Å; F944-C990 HydrophobicContact CE1-CB 4.21Å; A945-C990 PolarHBondContact N-O 2.99Å; F983-C990 HydrophobicContact CE1-CB 4.09Å; F983-C990 HydrophobicContact CZ-CB 4.15Å; V987-C990 HydrophobicContact CG1-CB 4.27Å; C990-D995 VanDerWaalsContact CA-OD2 3.28Å; C990-D995 WeakPolarHBondContact CA-OD2 3.39Å; C990-D995 PolarHBondContact SG-OD2 2.85Å; C990-W996 WeakPolarHBondContact SG-CZ3 3.49Å |
| 991 | E | 87.4 | Confident | 81.7 | Confident | 124 Ų | 124 | 82.5 Ų | 82.5 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | trans | -120.5 | -20.2 | -170 | -52.2 | -159.3 | 145 | 0 | 0 | 112.6 | A945 L949 R989 D995 | A945-E991 HydrophobicContact CB-CB 4.37Å; A945-E991 HydrophobicContact CB-CG 4.28Å; L949-E991 WeakPolarHBondContact CD1-O 3.49Å; R989-E991 HydrophobicContact CG-CG 4.4Å; R989-E991 IonicContact NH1-OE1 3.25Å; E991-D995 PolarHBondContact N-OD2 2.97Å | ||
| 992 | S | 88.4 | Confident | 80.3 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 32% | 0.315 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -140.6 | 162.6 | 177.2 | 90 | 0 | 0 | 0 | 0 | 113.1 | A994 D995 W996 | S992-A994 PolarHBondContact O-N 3.43Å; S992-A994 WeakPolarHBondContact OG-CB 3.41Å; S992-A994 PolarHBondContact OG-N 3.28Å; S992-A994 VanDerWaalsContact OG-N 3.13Å; S992-D995 WeakPolarHBondContact CB-OD1 3.47Å; S992-D995 PolarHBondContact N-OD1 2.87Å; S992-D995 PolarHBondContact N-OD2 3.17Å; S992-D995 WeakPolarHBondContact O-CB 3.48Å; S992-D995 PolarHBondContact O-N 3.15Å; S992-D995 PolarHBondContact OG-N 3.38Å; S992-D995 PolarHBondContact OG-OD1 2.87Å; S992-W996 WeakPolarHBondContact O-CZ3 3.5Å |
| 993 | E | 84.6 | Confident | 78.4 | Confident | 102 Ų | 102 | 84.5 Ų | 84.5 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -72 | -15.8 | 172.8 | -52 | -157 | 142.7 | 0 | 0 | 112.9 | L949 S952 D995 W996 | L949-E993 HydrophobicContact CD2-CG 3.79Å; S952-E993 WeakPolarHBondContact CB-OE1 3.46Å; S952-E993 PolarHBondContact OG-OE1 3.35Å; E993-D995 VanDerWaalsContact C-N 3.28Å; E993-D995 PolarHBondContact O-N 3.25Å; E993-W996 HydrophobicContact CB-CH2 3.96Å; E993-W996 HydrophobicContact CB-CZ2 3.62Å; E993-W996 HydrophobicContact CG-CH2 3.68Å; E993-W996 HydrophobicContact CG-CZ2 3.62Å |
| 994 | A | 82.4 | Confident | 76.1 | Confident | 68 Ų | 68 | 91.2 Ų | 91.2 | 56% | 0.562 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -70.4 | -26.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S992 W996 A997 | S992-A994 PolarHBondContact O-N 3.43Å; S992-A994 WeakPolarHBondContact OG-CB 3.41Å; S992-A994 PolarHBondContact OG-N 3.28Å; S992-A994 VanDerWaalsContact OG-N 3.13Å; A994-W996 PolarHBondContact O-N 3.31Å; A994-W996 VanDerWaalsContact O-N 3.13Å; A994-A997 WeakPolarHBondContact O-CB 3.46Å; A994-A997 PolarHBondContact O-N 2.89Å |
| 995 | D | 82.6 | Confident | 73.5 | Confident | 53 Ų | 53 | 95.1 Ų | 95.1 | 28% | 0.283 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -55.7 | -34.9 | -177.6 | -53.1 | -2.9 | 0 | 0 | 0 | 111.9 | F983 C990 E991 S992 E993 | F983-D995 HydrophobicContact CE2-CB 4.39Å; F983-D995 HydrophobicContact CZ-CB 4.19Å; C990-D995 VanDerWaalsContact CA-OD2 3.28Å; C990-D995 WeakPolarHBondContact CA-OD2 3.39Å; C990-D995 PolarHBondContact SG-OD2 2.85Å; E991-D995 PolarHBondContact N-OD2 2.97Å; S992-D995 WeakPolarHBondContact CB-OD1 3.47Å; S992-D995 PolarHBondContact N-OD1 2.87Å; S992-D995 PolarHBondContact N-OD2 3.17Å; S992-D995 WeakPolarHBondContact O-CB 3.48Å; S992-D995 PolarHBondContact O-N 3.15Å; S992-D995 PolarHBondContact OG-N 3.38Å; S992-D995 PolarHBondContact OG-OD1 2.87Å; E993-D995 VanDerWaalsContact C-N 3.28Å; E993-D995 PolarHBondContact O-N 3.25Å |
| 996 | W | 82.6 | Confident | 71 | Confident | 12 Ų | 12 | 102.6 Ų | 102.6 | 5% | 0.045 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -104.2 | 3.4 | -179.3 | 66.1 | 76.1 | 0 | 0 | 0 | 114.7 | L949 F953 Y956 F983 C990 S992 E993 A994 N998 L999 | L949-W996 HydrophobicContact CB-CH2 4.31Å; L949-W996 HydrophobicContact CB-CZ3 4.38Å; L949-W996 HydrophobicContact CD2-CH2 3.82Å; L949-W996 HydrophobicContact CD2-CZ3 4.09Å; F953-W996 HydrophobicContact CB-CD2 4.29Å; F953-W996 HydrophobicContact CB-CE3 4.09Å; F953-W996 HydrophobicContact CB-CH2 4Å; F953-W996 HydrophobicContact CB-CZ2 4.21Å; F953-W996 HydrophobicContact CB-CZ3 3.94Å; F953-W996 HydrophobicContact CD2-CB 3.78Å; F953-W996 AromaticContact CD2-CD2 3.48Å; F953-W996 HydrophobicContact CD2-CD2 3.48Å; F953-W996 VanDerWaalsContact CD2-CD2 3.48Å; F953-W996 AromaticContact CD2-CE3 3.74Å; F953-W996 HydrophobicContact CD2-CE3 3.74Å; F953-W996 AromaticContact CD2-CG 3.52Å; F953-W996 HydrophobicContact CD2-CG 3.52Å; F953-W996 HydrophobicContact CD2-CZ3 4.45Å; F953-W996 HydrophobicContact CE2-CB 3.52Å; F953-W996 HydrophobicContact CE2-CD2 4.19Å; F953-W996 HydrophobicContact CE2-CE3 4.49Å; F953-W996 AromaticContact CE2-CG 3.81Å; F953-W996 HydrophobicContact CE2-CG 3.81Å; F953-W996 HydrophobicContact CG-CD2 4.25Å; F953-W996 HydrophobicContact CG-CE3 4.14Å; F953-W996 HydrophobicContact CG-CZ3 4.47Å; Y956-W996 AromaticContact CD1-CD1 3.72Å; Y956-W996 HydrophobicContact CD1-CG 4.49Å; Y956-W996 AromaticContact CE1-CD1 4Å; Y956-W996 AromaticContact CG-CD1 3.92Å; Y956-W996 AromaticContact CG-NE1 3.98Å; F983-W996 HydrophobicContact CD2-CB 4.29Å; F983-W996 HydrophobicContact CE2-CB 3.64Å; F983-W996 HydrophobicContact CZ-CB 4.14Å; C990-W996 WeakPolarHBondContact SG-CZ3 3.49Å; S992-W996 WeakPolarHBondContact O-CZ3 3.5Å; E993-W996 HydrophobicContact CB-CH2 3.96Å; E993-W996 HydrophobicContact CB-CZ2 3.62Å; E993-W996 HydrophobicContact CG-CH2 3.68Å; E993-W996 HydrophobicContact CG-CZ2 3.62Å; A994-W996 PolarHBondContact O-N 3.31Å; A994-W996 VanDerWaalsContact O-N 3.13Å; W996-N998 PolarHBondContact O-N 2.68Å; W996-N998 VanDerWaalsContact O-N 3.13Å; W996-L999 HydrophobicContact CB-CB 4.39Å; W996-L999 VanDerWaalsContact O-CB 3.25Å; W996-L999 WeakPolarHBondContact O-CB 3.17Å; W996-L999 PolarHBondContact O-N 3.22Å |
| 997 | A | 74.3 | Confident | 68.4 | Low | 64 Ų | 64 | 96.8 Ų | 96.8 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A994 | A994-A997 WeakPolarHBondContact O-CB 3.46Å; A994-A997 PolarHBondContact O-N 2.89Å |
| 998 | N | 69.3 | Low | 66.5 | Low | 147 Ų | 147 | 101.5 Ų | 101.5 | 79% | 0.786 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 2 | 177.2 | -69.3 | -44.5 | 0 | 0 | 0 | 114.2 | W996 K1000 | W996-N998 PolarHBondContact O-N 2.68Å; W996-N998 VanDerWaalsContact O-N 3.13Å; N998-K1000 PolarHBondContact O-N 2.87Å |
| 999 | L | 78.8 | Confident | 64.3 | Low | 20 Ų | 20 | 102.9 Ų | 102.9 | 11% | 0.105 | 54% | 0.543 | C | S | . | . | trans | -81.6 | 80.1 | -175.6 | -170.1 | 68.9 | 0 | 0 | 0 | 111.8 | F953 Y956 L957 L979 F983 W996 | F953-L999 HydrophobicContact CE2-CD2 3.66Å; F953-L999 HydrophobicContact CZ-CD2 3.74Å; Y956-L999 HydrophobicContact CE1-CB 4.39Å; Y956-L999 PolarHBondContact OH-O 2.9Å; Y956-L999 VanDerWaalsContact OH-O 3.11Å; L957-L999 HydrophobicContact CD2-CD2 3.89Å; L979-L999 HydrophobicContact CD2-CD1 4.43Å; L979-L999 HydrophobicContact CD2-CG 4.42Å; F983-L999 HydrophobicContact CB-CD1 4.16Å; F983-L999 HydrophobicContact CB-CD2 4.13Å; F983-L999 HydrophobicContact CD2-CD1 4.41Å; F983-L999 HydrophobicContact CD2-CD2 4.1Å; F983-L999 HydrophobicContact CG-CD2 4.31Å; W996-L999 HydrophobicContact CB-CB 4.39Å; W996-L999 VanDerWaalsContact O-CB 3.25Å; W996-L999 WeakPolarHBondContact O-CB 3.17Å; W996-L999 PolarHBondContact O-N 3.22Å | ||
| 1000 | K | 71.6 | Confident | 61.8 | Low | 170 Ų | 170 | 101.9 Ų | 101.9 | 74% | 0.739 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 157.9 | 176.7 | -63.1 | -176.8 | -179.4 | -180 | 0 | 112.5 | N998 | N998-K1000 PolarHBondContact O-N 2.87Š|
| 1001 | R | 64.3 | Low | 59.6 | Low | 53 Ų | 53 | 110.7 Ų | 110.7 | 20% | 0.2 | 59% | 0.594 | C | S | . | * | P | Polyproline II helix | trans | -63.9 | 137.7 | 175 | -162.8 | 179 | -156.3 | 143.5 | 13.7 | 110.6 | L960 L961 R967 E975 H1003 | L960-R1001 PolarHBondContact O-NH1 3.2Å; L961-R1001 PolarHBondContact O-NH1 2.69Å; L961-R1001 PolarHBondContact O-NH2 3.44Å; R967-R1001 VanDerWaalsContact CZ-CZ 3.42Å; E975-R1001 IonicContact OE2-CZ 3.89Å; E975-R1001 IonicContact OE2-NE 3.48Å; E975-R1001 PolarHBondContact OE2-NE 3Å; E975-R1001 IonicContact OE2-NH2 3.78Å; E975-R1001 PolarHBondContact OE2-NH2 3.15Å; R1001-H1003 PolarHBondContact O-N 3.5Å |
| 1002 | P | 57 | Low | 57 | Low | 68 Ų | 68 | 116 Ų | 116 | 44% | 0.442 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 130.7 | 171.7 | 26.6 | -33.7 | 0 | 0 | 0 | 110.7 | ||
| 1003 | H | 46.9 | Very low | 55.5 | Low | 185 Ų | 185 | 119.5 Ų | 119.5 | 86% | 0.856 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 126.3 | 169.5 | -90.1 | -84.8 | 0 | 0 | 0 | 109.8 | R1001 S1005 | R1001-H1003 PolarHBondContact O-N 3.5Å; H1003-S1005 PolarHBondContact O-N 3.01Å |
| 1004 | N | 40.8 | Very low | 53.9 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 79% | 0.786 | 65% | 0.65 | S | S | * | * | trans | -74.7 | 107.7 | 169.5 | -97 | 3.4 | 0 | 0 | 0 | 109.7 | ||||
| 1005 | S | 30.9 | Very low | 52.4 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | trans | -98.2 | 107.3 | 166 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | H1003 | H1003-S1005 PolarHBondContact O-N 3.01Š| ||
| 1006 | R | 31 | Very low | 50.6 | Low | 249 Ų | 249 | 127.5 Ų | 127.5 | 94% | 0.94 | 68% | 0.677 | S | S | * | * | trans | 177.1 | 88.6 | 150 | -101.7 | 170.3 | -176.7 | -166.8 | -0 | 110.5 | ||||
| 1007 | A | 26.2 | Very low | 48.6 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -98 | 146 | 132.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | E1009 | A1007-E1009 PolarHBondContact O-N 3.27Š|
| 1008 | P | 41.8 | Very low | 46.9 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 84% | 0.844 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 117.7 | 174.7 | 31 | -30.1 | 0 | 0 | 0 | 109.2 | ||
| 1009 | E | 35.7 | Very low | 45.3 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.7 | 158.7 | -76.2 | -172.3 | 144.4 | 0 | 0 | 108.4 | A1007 | A1007-E1009 PolarHBondContact O-N 3.27Š|
| 1010 | S | 36.4 | Very low | 42.7 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 139 | 164.9 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1011 | K | 39.1 | Very low | 40.3 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | -171.5 | 131.7 | 135.5 | -103.2 | 156.3 | -173.7 | -177.4 | 0 | 110.3 | ||||
| 1012 | D | 33.3 | Very low | 38.1 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 100% | 1.251 | 83% | 0.827 | S | S | * | * | trans | 35.4 | 0 | 153.6 | -46.9 | -31.5 | 0 | 0 | 0 | 118.9 |
Retrieved 1,012 of 1,012 residues in 257.8 ms
(Link to these results)