| 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 | 28.1 | Very low | 36.9 | Very low | 156 Ų | 156 | 90.7 Ų | 90.7 | 77% | 0.768 | 48% | 0.476 | S | S | * | . | 0 | 132.2 | 0 | -67 | -173.5 | 90.5 | 0 | 0 | 108.2 | A5 R9 | M1-A5 HydrophobicContact CE-CB 4.23Å; M1-R9 VanDerWaalsContact CE-CZ 3.43Å | |||
| 2 | S | 30.1 | Very low | 37.5 | Very low | 58 Ų | 58 | 88.3 Ų | 88.3 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | trans | -67 | 155.2 | 175.6 | 77.7 | 0 | 0 | 0 | 0 | 110.7 | T4 A5 K6 | S2-T4 PolarHBondContact O-N 2.89Å; S2-T4 WeakPolarHBondContact OG-CB 3.45Å; S2-T4 PolarHBondContact OG-N 3.33Å; S2-T4 PolarHBondContact OG-OG1 3.36Å; S2-A5 PolarHBondContact O-N 2.98Å; S2-A5 PolarHBondContact OG-N 3.46Å; S2-A5 VanDerWaalsContact OG-N 3.15Å; S2-K6 PolarHBondContact O-N 2.68Å | ||
| 3 | P | 31.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 89.5 Ų | 89.5 | 70% | 0.695 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -53.6 | -34.3 | 172.5 | -24 | 33.3 | 0 | 0 | 0 | 112.5 | A5 K6 L7 | P3-A5 PolarHBondContact O-N 3.19Å; P3-K6 PolarHBondContact O-N 3.15Å; P3-L7 PolarHBondContact O-N 3.46Å; P3-L7 VanDerWaalsContact O-N 3.16Å |
| 4 | T | 33.9 | Very low | 39 | Very low | 92 Ų | 92 | 86.7 Ų | 86.7 | 56% | 0.564 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.8 | -36.7 | 174.4 | 5.6 | 0 | 0 | 0 | 0 | 113.3 | S2 L7 K8 | S2-T4 PolarHBondContact O-N 2.89Å; S2-T4 WeakPolarHBondContact OG-CB 3.45Å; S2-T4 PolarHBondContact OG-N 3.33Å; S2-T4 PolarHBondContact OG-OG1 3.36Å; T4-L7 PolarHBondContact O-N 3.46Å; T4-K8 WeakPolarHBondContact O-CG 3.48Å; T4-K8 PolarHBondContact O-N 3.02Å |
| 5 | A | 36.4 | Very low | 39.8 | Very low | 29 Ų | 29 | 84.3 Ų | 84.3 | 24% | 0.24 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -72.5 | -28.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | M1 S2 P3 | M1-A5 HydrophobicContact CE-CB 4.23Å; S2-A5 PolarHBondContact O-N 2.98Å; S2-A5 PolarHBondContact OG-N 3.46Å; S2-A5 VanDerWaalsContact OG-N 3.15Å; P3-A5 PolarHBondContact O-N 3.19Å |
| 6 | K | 35.3 | Very low | 41 | Very low | 155 Ų | 155 | 82.3 Ų | 82.3 | 67% | 0.674 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.8 | -42.3 | 170.4 | -100.1 | -176.9 | 174.3 | -177.9 | 0 | 111.4 | S2 P3 R9 T10 | S2-K6 PolarHBondContact O-N 2.68Å; P3-K6 PolarHBondContact O-N 3.15Å; K6-R9 PolarHBondContact O-N 3.44Å; K6-T10 PolarHBondContact O-OG1 3.3Å |
| 7 | L | 36.5 | Very low | 42.8 | Very low | 77 Ų | 77 | 79.6 Ų | 79.6 | 40% | 0.403 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 175.7 | -92.5 | 147 | 0 | 0 | 0 | 113.2 | P3 T4 R9 | P3-L7 PolarHBondContact O-N 3.46Å; P3-L7 VanDerWaalsContact O-N 3.16Å; T4-L7 PolarHBondContact O-N 3.46Å; L7-R9 PolarHBondContact O-N 3.23Å |
| 8 | K | 40.1 | Very low | 45 | Very low | 138 Ų | 138 | 81.3 Ų | 81.3 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -57.8 | -28.2 | 173 | -81.8 | -172.5 | 175.6 | -168.9 | 0 | 113.6 | T4 R74 | T4-K8 WeakPolarHBondContact O-CG 3.48Å; T4-K8 PolarHBondContact O-N 3.02Å; K8-R74 PolarHBondContact O-NH1 3.48Å |
| 9 | R | 41.6 | Very low | 47 | Very low | 98 Ų | 98 | 77.7 Ų | 77.7 | 37% | 0.37 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -87.3 | -21.1 | -171.6 | -83.7 | -176.6 | 176.2 | -174.3 | -3.7 | 114.9 | M1 K6 L7 F11 L13 E967 | M1-R9 VanDerWaalsContact CE-CZ 3.43Å; K6-R9 PolarHBondContact O-N 3.44Å; L7-R9 PolarHBondContact O-N 3.23Å; R9-F11 PolarHBondContact O-N 3.06Å; R9-L13 HydrophobicContact CB-CD1 3.78Å; R9-L13 HydrophobicContact CG-CD1 3.99Å; R9-L13 WeakPolarHBondContact O-CB 3.49Å; R9-L13 WeakPolarHBondContact O-CD1 3.47Å; R9-L13 VanDerWaalsContact O-CG 3.32Å; R9-L13 WeakPolarHBondContact O-CG 3.43Å; R9-E967 IonicContact NH2-OE1 3.57Å; R9-E967 PolarHBondContact NH2-OE1 3.23Å; R9-E967 IonicContact NH2-OE2 3.72Å; R9-E967 PolarHBondContact NH2-OE2 3.18Å |
| 10 | T | 45.3 | Very low | 49.1 | Very low | 76 Ų | 76 | 79.2 Ų | 79.2 | 47% | 0.466 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -35.6 | -160.6 | -40.1 | 0 | 0 | 0 | 0 | 114.6 | K6 L14 | K6-T10 PolarHBondContact O-OG1 3.3Å; T10-L14 WeakPolarHBondContact O-CD1 3.35Å; T10-L14 VanDerWaalsContact O-CG 3.23Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å |
| 11 | F | 47.2 | Very low | 51.1 | Low | 12 Ų | 12 | 75.4 Ų | 75.4 | 5% | 0.053 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -32.7 | -173 | -92.9 | -80.7 | 0 | 0 | 0 | 115.6 | R9 L13 I19 I21 L94 P97 | R9-F11 PolarHBondContact O-N 3.06Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-I19 HydrophobicContact CD1-CD1 3.95Å; F11-I19 HydrophobicContact CE1-CD1 3.75Å; F11-I19 HydrophobicContact CE1-CG2 4.03Å; F11-I19 HydrophobicContact CZ-CG2 4.13Å; F11-I21 HydrophobicContact CE1-CD1 3.89Å; F11-I21 HydrophobicContact CZ-CD1 3.71Å; F11-L94 HydrophobicContact CD2-CB 4.42Å; F11-L94 HydrophobicContact CE2-CB 4.41Å; F11-P97 HydrophobicContact CE2-CB 3.92Å; F11-P97 HydrophobicContact CZ-CB 3.59Å |
| 12 | S | 44.4 | Very low | 54.3 | Low | 61 Ų | 61 | 73.9 Ų | 73.9 | 43% | 0.427 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12.9 | 179.1 | 80.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 13 | L | 43.2 | Very low | 57.5 | Low | 105 Ų | 105 | 71.1 Ų | 71.1 | 55% | 0.55 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.7 | 177.4 | -70.5 | 176.1 | 0 | 0 | 0 | 113.1 | R9 F11 | R9-L13 HydrophobicContact CB-CD1 3.78Å; R9-L13 HydrophobicContact CG-CD1 3.99Å; R9-L13 WeakPolarHBondContact O-CB 3.49Å; R9-L13 WeakPolarHBondContact O-CD1 3.47Å; R9-L13 VanDerWaalsContact O-CG 3.32Å; R9-L13 WeakPolarHBondContact O-CG 3.43Å; F11-L13 VanDerWaalsContact C-N 3.34Å |
| 14 | L | 52.2 | Low | 60.5 | Low | 50 Ų | 50 | 68.8 Ų | 68.8 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | trans | -104.6 | 18.6 | -175.7 | -71.6 | 173.7 | 0 | 0 | 0 | 112.9 | T10 G16 S17 I19 S37 | T10-L14 WeakPolarHBondContact O-CD1 3.35Å; T10-L14 VanDerWaalsContact O-CG 3.23Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å; L14-G16 PolarHBondContact O-N 3.44Å; L14-S17 VanDerWaalsContact CA-OG 3.32Å; L14-S17 WeakPolarHBondContact CA-OG 3.37Å; L14-S17 WeakPolarHBondContact CD2-OG 3.37Å; L14-S17 WeakPolarHBondContact O-CA 3.49Å; L14-S17 WeakPolarHBondContact O-CB 2.94Å; L14-S17 PolarHBondContact O-N 3.08Å; L14-S17 PolarHBondContact O-OG 3.43Å; L14-I19 HydrophobicContact CB-CD1 3.73Å; L14-I19 HydrophobicContact CB-CG1 4.28Å; L14-I19 HydrophobicContact CD1-CD1 3.55Å; L14-I19 HydrophobicContact CD1-CG1 3.83Å; L14-I19 HydrophobicContact CG-CD1 4.28Å; L14-S37 WeakPolarHBondContact O-CB 3.48Å; L14-S37 PolarHBondContact O-OG 3.4Å | ||
| 15 | V | 52.3 | Low | 63.5 | Low | 51 Ų | 51 | 64.9 Ų | 64.9 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 123.4 | 171.2 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | S17 E38 | V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 PolarHBondContact O-N 3.09Å; V15-E38 WeakPolarHBondContact CG1-OE1 3.15Å |
| 16 | G | 58.7 | Low | 66.1 | Low | 51 Ų | 51 | 66.6 Ų | 66.6 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 6.7 | -174 | 0 | 0 | 0 | 0 | 0 | 116.9 | L14 S37 E38 | L14-G16 PolarHBondContact O-N 3.44Å; G16-S37 PolarHBondContact N-OG 3.4Å; G16-E38 PolarHBondContact N-OE1 3.47Å |
| 17 | S | 71.9 | Confident | 68.9 | Low | 37 Ų | 37 | 60.3 Ų | 60.3 | 26% | 0.259 | 33% | 0.327 | S | S | . | . | trans | -99.2 | 151.8 | 179.3 | -41.8 | 0 | 0 | 0 | 0 | 112.3 | L14 V15 S37 | L14-S17 VanDerWaalsContact CA-OG 3.32Å; L14-S17 WeakPolarHBondContact CA-OG 3.37Å; L14-S17 WeakPolarHBondContact CD2-OG 3.37Å; L14-S17 WeakPolarHBondContact O-CA 3.49Å; L14-S17 WeakPolarHBondContact O-CB 2.94Å; L14-S17 PolarHBondContact O-N 3.08Å; L14-S17 PolarHBondContact O-OG 3.43Å; V15-S17 VanDerWaalsContact C-N 3.33Å; V15-S17 PolarHBondContact O-N 3.09Å; S17-S37 PolarHBondContact N-OG 3.06Å; S17-S37 VanDerWaalsContact O-CB 3.31Å; S17-S37 WeakPolarHBondContact O-CB 3.46Å; S17-S37 PolarHBondContact O-N 3.38Å; S17-S37 PolarHBondContact O-OG 3.04Å | ||
| 18 | D | 82.3 | Confident | 71.5 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.8 | 170.4 | -72.4 | -17.8 | 0 | 0 | 0 | 110.7 | T34 N36 | D18-T34 HydrophobicContact CB-CG2 3.7Å; D18-N36 PolarHBondContact OD1-ND2 3.06Å |
| 19 | I | 83.1 | Confident | 74.1 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.2 | -174.2 | -47.6 | -177.7 | 0 | 0 | 0 | 109.1 | F11 L14 I21 T34 V35 L89 | F11-I19 HydrophobicContact CD1-CD1 3.95Å; F11-I19 HydrophobicContact CE1-CD1 3.75Å; F11-I19 HydrophobicContact CE1-CG2 4.03Å; F11-I19 HydrophobicContact CZ-CG2 4.13Å; L14-I19 HydrophobicContact CB-CD1 3.73Å; L14-I19 HydrophobicContact CB-CG1 4.28Å; L14-I19 HydrophobicContact CD1-CD1 3.55Å; L14-I19 HydrophobicContact CD1-CG1 3.83Å; L14-I19 HydrophobicContact CG-CD1 4.28Å; I19-I21 HydrophobicContact CG2-CD1 3.91Å; I19-I21 HydrophobicContact CG2-CG1 4.41Å; I19-I21 PolarHBondContact O-N 3.27Å; I19-T34 WeakPolarHBondContact O-CA 3.36Å; I19-V35 PolarHBondContact N-O 3.12Å; I19-V35 WeakPolarHBondContact O-CG2 3.48Å; I19-V35 PolarHBondContact O-N 2.91Å; I19-L89 HydrophobicContact CD1-CD2 4.46Å |
| 20 | I | 89 | Confident | 76.7 | Confident | 106 Ų | 106 | 55 Ų | 55 | 54% | 0.544 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.7 | 171.4 | -58.6 | 174.9 | 0 | 0 | 0 | 108.9 | P32 L33 | I20-P32 HydrophobicContact CG2-CB 4.16Å; I20-L33 CarbonylContact C-O 3.47Å; I20-L33 WeakPolarHBondContact CA-O 3.47Å |
| 21 | I | 91.3 | Very high | 79 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.8 | 174.4 | -59.9 | -62.8 | 0 | 0 | 0 | 109.6 | F11 I19 F23 P32 L33 V35 L89 P97 L99 | F11-I21 HydrophobicContact CE1-CD1 3.89Å; F11-I21 HydrophobicContact CZ-CD1 3.71Å; I19-I21 HydrophobicContact CG2-CD1 3.91Å; I19-I21 HydrophobicContact CG2-CG1 4.41Å; I19-I21 PolarHBondContact O-N 3.27Å; I21-F23 HydrophobicContact CB-CD2 4.45Å; I21-F23 HydrophobicContact CB-CE2 3.68Å; I21-F23 HydrophobicContact CB-CZ 3.91Å; I21-F23 HydrophobicContact CG2-CD1 4.47Å; I21-F23 HydrophobicContact CG2-CD2 4.16Å; I21-F23 HydrophobicContact CG2-CE1 4.04Å; I21-F23 HydrophobicContact CG2-CE2 3.63Å; I21-F23 HydrophobicContact CG2-CZ 3.57Å; I21-P32 WeakPolarHBondContact O-CA 3.28Å; I21-L33 PolarHBondContact N-O 2.77Å; I21-L33 PolarHBondContact O-N 2.61Å; I21-V35 HydrophobicContact CB-CG2 4.02Å; I21-V35 HydrophobicContact CG1-CG2 3.43Å; I21-V35 VanDerWaalsContact CG1-CG2 3.43Å; I21-L89 HydrophobicContact CD1-CD1 4.48Å; I21-L89 HydrophobicContact CD1-CD2 4.19Å; I21-L89 HydrophobicContact CG1-CD1 4.49Å; I21-L89 HydrophobicContact CG1-CD2 3.84Å; I21-P97 WeakPolarHBondContact CA-O 3.41Å; I21-P97 HydrophobicContact CD1-CB 3.78Å; I21-L99 HydrophobicContact CG2-CB 4.35Å; I21-L99 HydrophobicContact CG2-CD1 4.29Å; I21-L99 HydrophobicContact CG2-CG 4.18Å |
| 22 | K | 94.6 | Very high | 81.3 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.6 | 171.8 | -66.1 | -178.6 | -178 | 179.4 | 0 | 109.8 | I30 P97 Y98 L99 | K22-I30 HydrophobicContact CB-CG2 4.15Å; K22-P97 PolarHBondContact N-O 3.08Å; K22-Y98 CarbonylContact O-C 3.54Å; K22-Y98 WeakPolarHBondContact O-CA 3.46Å; K22-Y98 WeakPolarHBondContact O-CB 3.31Å; K22-L99 PolarHBondContact O-N 3.33Å |
| 23 | F | 96.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.4 | 176.2 | -66.3 | -85.3 | 0 | 0 | 0 | 110.4 | I21 L25 I30 I31 L33 V35 I44 L48 F69 L99 | I21-F23 HydrophobicContact CB-CD2 4.45Å; I21-F23 HydrophobicContact CB-CE2 3.68Å; I21-F23 HydrophobicContact CB-CZ 3.91Å; I21-F23 HydrophobicContact CG2-CD1 4.47Å; I21-F23 HydrophobicContact CG2-CD2 4.16Å; I21-F23 HydrophobicContact CG2-CE1 4.04Å; I21-F23 HydrophobicContact CG2-CE2 3.63Å; I21-F23 HydrophobicContact CG2-CZ 3.57Å; F23-L25 HydrophobicContact CB-CD1 4.3Å; F23-I30 CarbonylContact O-C 3.58Å; F23-I30 VanDerWaalsContact O-CA 3.26Å; F23-I30 WeakPolarHBondContact O-CA 3.38Å; F23-I31 PolarHBondContact N-O 2.7Å; F23-I31 PolarHBondContact O-N 3.29Å; F23-L33 HydrophobicContact CD2-CB 4.15Å; F23-L33 HydrophobicContact CD2-CD1 3.95Å; F23-L33 HydrophobicContact CD2-CG 4.14Å; F23-L33 HydrophobicContact CE2-CB 3.88Å; F23-L33 HydrophobicContact CE2-CD1 4.02Å; F23-L33 HydrophobicContact CE2-CG 4.29Å; F23-V35 HydrophobicContact CE2-CG1 4.33Å; F23-V35 HydrophobicContact CZ-CG1 4.41Å; F23-I44 HydrophobicContact CE1-CG2 3.63Å; F23-I44 HydrophobicContact CE2-CG2 4.34Å; F23-I44 HydrophobicContact CZ-CG2 3.29Å; F23-L48 HydrophobicContact CB-CD1 3.52Å; F23-L48 HydrophobicContact CB-CD2 3.88Å; F23-L48 HydrophobicContact CB-CG 4.37Å; F23-L48 HydrophobicContact CD1-CD1 4.29Å; F23-L48 HydrophobicContact CD1-CD2 3.6Å; F23-L48 HydrophobicContact CD1-CG 4.49Å; F23-L48 HydrophobicContact CD2-CD1 3.91Å; F23-L48 HydrophobicContact CE1-CD2 4.31Å; F23-L48 HydrophobicContact CG-CD1 3.63Å; F23-L48 HydrophobicContact CG-CD2 3.78Å; F23-L48 HydrophobicContact CG-CG 4.3Å; F23-F69 HydrophobicContact CD1-CD1 4.16Å; F23-F69 AromaticContact CD1-CE1 3.46Å; F23-F69 HydrophobicContact CD1-CE1 3.46Å; F23-F69 VanDerWaalsContact CD1-CE1 3.46Å; F23-F69 HydrophobicContact CD1-CZ 4.05Å; F23-F69 HydrophobicContact CE1-CD1 4.18Å; F23-F69 AromaticContact CE1-CE1 3.49Å; F23-F69 HydrophobicContact CE1-CE1 3.49Å; F23-F69 VanDerWaalsContact CE1-CE1 3.49Å; F23-F69 HydrophobicContact CE1-CE2 4.48Å; F23-F69 AromaticContact CE1-CZ 3.66Å; F23-F69 HydrophobicContact CE1-CZ 3.66Å; F23-L99 CarbonylContact C-O 3.53Å; F23-L99 VanDerWaalsContact CA-O 3.25Å; F23-L99 WeakPolarHBondContact CA-O 3.45Å; F23-L99 HydrophobicContact CD1-CB 3.91Å; F23-L99 HydrophobicContact CE1-CB 3.9Å; F23-L99 HydrophobicContact CE1-CD1 3.75Å; F23-L99 HydrophobicContact CE1-CG 4.39Å; F23-L99 HydrophobicContact CZ-CD1 4.32Å |
| 24 | L | 95.9 | Very high | 86 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 108.8 | 176 | -61.2 | 85.1 | 0 | 0 | 0 | 108.7 | I30 Y98 L99 R100 V101 | L24-I30 HydrophobicContact CG-CG1 4.34Å; L24-Y98 HydrophobicContact CD1-CD2 3.6Å; L24-Y98 HydrophobicContact CD1-CE2 4.46Å; L24-Y98 HydrophobicContact CD1-CG 4.15Å; L24-L99 PolarHBondContact N-O 3.41Å; L24-R100 HydrophobicContact CB-CB 4.47Å; L24-R100 HydrophobicContact CB-CG 4.2Å; L24-V101 PolarHBondContact O-N 3.21Å |
| 25 | L | 95.2 | Very high | 87.8 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | trans | -85.9 | 156.8 | -177.8 | -74.6 | 86 | 0 | 0 | 0 | 112.2 | F23 N27 G28 I29 I31 L48 A52 L61 V101 | F23-L25 HydrophobicContact CB-CD1 4.3Å; L25-N27 WeakPolarHBondContact CB-OD1 3.36Å; L25-N27 PolarHBondContact O-N 2.85Å; L25-G28 PolarHBondContact O-N 3.1Å; L25-I29 WeakPolarHBondContact CD1-O 3.38Å; L25-I29 PolarHBondContact N-O 3.08Å; L25-I31 HydrophobicContact CD1-CB 4.27Å; L25-I31 HydrophobicContact CD1-CD1 3.63Å; L25-I31 HydrophobicContact CD1-CG1 3.65Å; L25-I31 HydrophobicContact CD2-CD1 4.2Å; L25-L48 HydrophobicContact CD1-CD1 4.22Å; L25-A52 HydrophobicContact CD2-CB 3.73Å; L25-L61 HydrophobicContact CD2-CD1 3.62Å; L25-V101 HydrophobicContact CG-CG2 4.41Å | ||
| 26 | P | 92.3 | Very high | 89.5 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -26.6 | -179.6 | -19.5 | 31.4 | 0 | 0 | 0 | 113.6 | G28 L61 Y67 V101 | P26-G28 PolarHBondContact O-N 3.11Å; P26-L61 HydrophobicContact CB-CD2 4.34Å; P26-L61 HydrophobicContact CG-CD2 4.21Å; P26-Y67 HydrophobicContact CB-CE1 4.28Å; P26-Y67 HydrophobicContact CG-CD1 3.88Å; P26-Y67 HydrophobicContact CG-CE1 3.42Å; P26-Y67 VanDerWaalsContact CG-CE1 3.42Å; P26-V101 HydrophobicContact CG-CB 4.45Å; P26-V101 HydrophobicContact CG-CG1 4.12Å |
| 27 | N | 93.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 5.9 | 175 | 64.7 | 0.5 | 0 | 0 | 0 | 113.8 | L25 I29 L57 I60 L61 | L25-N27 WeakPolarHBondContact CB-OD1 3.36Å; L25-N27 PolarHBondContact O-N 2.85Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 3Å; N27-I29 WeakPolarHBondContact OD1-CB 3.18Å; N27-I29 PolarHBondContact OD1-N 3.34Å; N27-L57 HydrophobicContact CB-CB 4.14Å; N27-L57 PolarHBondContact ND2-O 2.82Å; N27-I60 HydrophobicContact CB-CD1 3.62Å; N27-I60 HydrophobicContact CB-CG1 3.95Å; N27-L61 HydrophobicContact CB-CD2 3.92Å |
| 28 | G | 91.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 68% | 0.68 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 83.6 | 1.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | L25 P26 | L25-G28 PolarHBondContact O-N 3.1Å; P26-G28 PolarHBondContact O-N 3.11Å |
| 29 | I | 94.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 19% | 0.19 | 25% | 0.25 | C | S | . | . | trans | -85.2 | 138.6 | 179.2 | -63.5 | -176.5 | 0 | 0 | 0 | 110.8 | L25 N27 I31 L55 P56 L57 | L25-I29 WeakPolarHBondContact CD1-O 3.38Å; L25-I29 PolarHBondContact N-O 3.08Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 3Å; N27-I29 WeakPolarHBondContact OD1-CB 3.18Å; N27-I29 PolarHBondContact OD1-N 3.34Å; I29-I31 HydrophobicContact CG2-CG1 4Å; I29-L55 HydrophobicContact CD1-CB 4.26Å; I29-L55 HydrophobicContact CG2-CD1 3.79Å; I29-P56 WeakPolarHBondContact CD1-O 3.29Å; I29-L57 HydrophobicContact CD1-CB 4.46Å | ||
| 30 | I | 95.7 | Very high | 91.7 | Very high | 100 Ų | 100 | 44 Ų | 44 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.7 | 173.6 | -55.6 | 177.5 | 0 | 0 | 0 | 109.4 | K22 F23 L24 | K22-I30 HydrophobicContact CB-CG2 4.15Å; F23-I30 CarbonylContact O-C 3.58Å; F23-I30 VanDerWaalsContact O-CA 3.26Å; F23-I30 WeakPolarHBondContact O-CA 3.38Å; L24-I30 HydrophobicContact CG-CG1 4.34Å |
| 31 | I | 95.2 | Very high | 91.7 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112.5 | 177.8 | -52.9 | -179.5 | 0 | 0 | 0 | 109.1 | F23 L25 I29 L33 L48 A52 L55 | F23-I31 PolarHBondContact N-O 2.7Å; F23-I31 PolarHBondContact O-N 3.29Å; L25-I31 HydrophobicContact CD1-CB 4.27Å; L25-I31 HydrophobicContact CD1-CD1 3.63Å; L25-I31 HydrophobicContact CD1-CG1 3.65Å; L25-I31 HydrophobicContact CD2-CD1 4.2Å; I29-I31 HydrophobicContact CG2-CG1 4Å; I31-L33 HydrophobicContact CG2-CD1 4.34Å; I31-L33 HydrophobicContact CG2-CD2 3.84Å; I31-L33 HydrophobicContact CG2-CG 3.81Å; I31-L48 HydrophobicContact CB-CD1 4.08Å; I31-L48 HydrophobicContact CD1-CD1 3.99Å; I31-L48 HydrophobicContact CG2-CD1 4.36Å; I31-A52 HydrophobicContact CD1-CB 3.71Å; I31-L55 HydrophobicContact CD1-CD1 3.53Å; I31-L55 HydrophobicContact CG1-CD1 3.58Å |
| 32 | P | 94.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 53% | 0.532 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121.8 | 166.9 | 30.4 | -29.8 | 0 | 0 | 0 | 109.7 | I20 I21 | I20-P32 HydrophobicContact CG2-CB 4.16Å; I21-P32 WeakPolarHBondContact O-CA 3.28Å |
| 33 | L | 93.5 | Very high | 91.7 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.9 | 173.4 | -63.3 | 172.5 | 0 | 0 | 0 | 110.8 | I20 I21 F23 I31 V35 L48 S51 | I20-L33 CarbonylContact C-O 3.47Å; I20-L33 WeakPolarHBondContact CA-O 3.47Å; I21-L33 PolarHBondContact N-O 2.77Å; I21-L33 PolarHBondContact O-N 2.61Å; F23-L33 HydrophobicContact CD2-CB 4.15Å; F23-L33 HydrophobicContact CD2-CD1 3.95Å; F23-L33 HydrophobicContact CD2-CG 4.14Å; F23-L33 HydrophobicContact CE2-CB 3.88Å; F23-L33 HydrophobicContact CE2-CD1 4.02Å; F23-L33 HydrophobicContact CE2-CG 4.29Å; I31-L33 HydrophobicContact CG2-CD1 4.34Å; I31-L33 HydrophobicContact CG2-CD2 3.84Å; I31-L33 HydrophobicContact CG2-CG 3.81Å; L33-V35 HydrophobicContact CB-CG1 4.11Å; L33-V35 PolarHBondContact O-N 3.16Å; L33-L48 HydrophobicContact CD1-CB 3.97Å; L33-L48 HydrophobicContact CD1-CD1 3.6Å; L33-L48 HydrophobicContact CD1-CG 4.42Å; L33-S51 WeakPolarHBondContact CD2-OG 3.09Å |
| 34 | T | 92.7 | Very high | 91.6 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 113.6 | 165.7 | -54.4 | 0 | 0 | 0 | 0 | 107.9 | D18 I19 | D18-T34 HydrophobicContact CB-CG2 3.7Å; I19-T34 WeakPolarHBondContact O-CA 3.36Å |
| 35 | V | 90.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.4 | -177.6 | -69.8 | 0 | 0 | 0 | 0 | 109.5 | I19 I21 F23 L33 I44 L89 | I19-V35 PolarHBondContact N-O 3.12Å; I19-V35 WeakPolarHBondContact O-CG2 3.48Å; I19-V35 PolarHBondContact O-N 2.91Å; I21-V35 HydrophobicContact CB-CG2 4.02Å; I21-V35 HydrophobicContact CG1-CG2 3.43Å; I21-V35 VanDerWaalsContact CG1-CG2 3.43Å; F23-V35 HydrophobicContact CE2-CG1 4.33Å; F23-V35 HydrophobicContact CZ-CG1 4.41Å; L33-V35 HydrophobicContact CB-CG1 4.11Å; L33-V35 PolarHBondContact O-N 3.16Å; V35-I44 HydrophobicContact CB-CD1 4.35Å; V35-I44 HydrophobicContact CB-CG1 4.19Å; V35-I44 HydrophobicContact CG1-CG1 4.09Å; V35-I44 HydrophobicContact CG1-CG2 4.16Å; V35-L89 HydrophobicContact CB-CD2 4.47Å; V35-L89 HydrophobicContact CG2-CD2 3.46Å; V35-L89 VanDerWaalsContact CG2-CD2 3.46Å |
| 36 | N | 87.4 | Confident | 91.5 | Very high | 47 Ų | 47 | 43 Ų | 43 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 134.2 | 174.3 | -164.1 | -81.4 | 0 | 0 | 0 | 109.3 | D18 E38 S39 | D18-N36 PolarHBondContact OD1-ND2 3.06Å; N36-E38 PolarHBondContact O-N 2.82Å; N36-E38 VanDerWaalsContact OD1-CB 3.22Å; N36-E38 WeakPolarHBondContact OD1-CB 3.44Å; N36-E38 WeakPolarHBondContact OD1-CG 3.23Å; N36-E38 PolarHBondContact OD1-N 2.99Å; N36-S39 WeakPolarHBondContact O-CB 3.37Å; N36-S39 PolarHBondContact O-N 3.34Å |
| 37 | S | 82.6 | Confident | 91.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.3 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | L14 G16 S17 S39 L89 H90 | L14-S37 WeakPolarHBondContact O-CB 3.48Å; L14-S37 PolarHBondContact O-OG 3.4Å; G16-S37 PolarHBondContact N-OG 3.4Å; S17-S37 PolarHBondContact N-OG 3.06Å; S17-S37 VanDerWaalsContact O-CB 3.31Å; S17-S37 WeakPolarHBondContact O-CB 3.46Å; S17-S37 PolarHBondContact O-N 3.38Å; S17-S37 PolarHBondContact O-OG 3.04Å; S37-S39 VanDerWaalsContact C-N 3.34Å; S37-L89 PolarHBondContact O-N 3.41Å; S37-H90 PolarHBondContact O-N 3.33Å; S37-H90 VanDerWaalsContact O-N 3.08Å; S37-H90 PolarHBondContact O-ND1 3.38Å |
| 38 | E | 81.6 | Confident | 91.8 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.5 | 176.8 | -61.9 | -61.1 | 123.5 | 0 | 0 | 113.4 | V15 G16 N36 R88 H90 | V15-E38 WeakPolarHBondContact CG1-OE1 3.15Å; G16-E38 PolarHBondContact N-OE1 3.47Å; N36-E38 PolarHBondContact O-N 2.82Å; N36-E38 VanDerWaalsContact OD1-CB 3.22Å; N36-E38 WeakPolarHBondContact OD1-CB 3.44Å; N36-E38 WeakPolarHBondContact OD1-CG 3.23Å; N36-E38 PolarHBondContact OD1-N 2.99Å; E38-R88 WeakPolarHBondContact O-CD 3.47Å; E38-R88 WeakPolarHBondContact O-CG 3.48Å; E38-R88 IonicContact OE2-CZ 3.67Å; E38-R88 IonicContact OE2-NH1 2.88Å; E38-R88 PolarHBondContact OE2-NH1 3.34Å; E38-H90 IonicContact OE1-CE1 2.73Å; E38-H90 PolarHBondContact OE1-CE1 3.42Å; E38-H90 IonicContact OE1-ND1 3.1Å; E38-H90 PolarHBondContact OE1-ND1 2.97Å; E38-H90 VanDerWaalsContact OE1-ND1 3.09Å; E38-H90 IonicContact OE2-CE1 2.71Å; E38-H90 PolarHBondContact OE2-CE1 2.83Å |
| 39 | S | 87.8 | Confident | 91.9 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -68.4 | 140.4 | -178.1 | -74.9 | 0 | 0 | 0 | 0 | 111.2 | N36 S37 E43 R88 L89 | N36-S39 WeakPolarHBondContact O-CB 3.37Å; N36-S39 PolarHBondContact O-N 3.34Å; S37-S39 VanDerWaalsContact C-N 3.34Å; S39-E43 VanDerWaalsContact CA-OE2 3.22Å; S39-E43 WeakPolarHBondContact CA-OE2 3.39Å; S39-E43 WeakPolarHBondContact CB-OE2 3.18Å; S39-E43 PolarHBondContact OG-OE2 3.28Å; S39-R88 WeakPolarHBondContact O-CA 3.35Å; S39-L89 PolarHBondContact O-N 3.4Å |
| 40 | T | 89.8 | Confident | 92 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.135 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 157.2 | 173.8 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | E42 E43 I44 N86 R87 R88 | T40-E42 PolarHBondContact O-N 3.32Å; T40-E43 PolarHBondContact N-OE2 3Å; T40-E43 PolarHBondContact O-N 2.97Å; T40-E43 VanDerWaalsContact OG1-CG 3.32Å; T40-E43 WeakPolarHBondContact OG1-CG 3.38Å; T40-E43 PolarHBondContact OG1-N 3.44Å; T40-I44 WeakPolarHBondContact O-CB 3.28Å; T40-I44 VanDerWaalsContact O-CG1 3.31Å; T40-I44 WeakPolarHBondContact O-CG1 3.43Å; T40-I44 PolarHBondContact O-N 3.26Å; T40-N86 WeakPolarHBondContact CG2-O 3.36Å; T40-R87 CarbonylContact C-O 3.33Å; T40-R87 WeakPolarHBondContact CA-O 3.44Å; T40-R88 HydrophobicContact CG2-CG 4.34Å |
| 41 | L | 90.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -30.9 | 172.9 | -73.4 | -170.9 | 0 | 0 | 0 | 112.2 | I44 K45 F69 F82 D84 I85 R87 I92 L99 | L41-I44 HydrophobicContact CD2-CD1 4.42Å; L41-K45 WeakPolarHBondContact O-CB 3.5Å; L41-K45 PolarHBondContact O-N 2.89Å; L41-F69 HydrophobicContact CB-CD2 4.12Å; L41-F69 HydrophobicContact CB-CE2 4.36Å; L41-F69 HydrophobicContact CD1-CD2 4.19Å; L41-F69 HydrophobicContact CD2-CD2 3.71Å; L41-F69 HydrophobicContact CD2-CE2 4.15Å; L41-F69 HydrophobicContact CG-CD2 4.22Å; L41-F69 WeakPolarHBondContact O-CE2 3.44Å; L41-F82 HydrophobicContact CD1-CB 3.54Å; L41-F82 HydrophobicContact CD1-CG 4.3Å; L41-D84 WeakPolarHBondContact CD1-O 3.4Å; L41-I85 CarbonylContact C-O 3.43Å; L41-I85 WeakPolarHBondContact CB-O 3.39Å; L41-I85 PolarHBondContact N-O 3.32Å; L41-R87 PolarHBondContact N-O 3.33Å; L41-I92 HydrophobicContact CD1-CD1 3.62Å; L41-I92 HydrophobicContact CD2-CD1 3.47Å; L41-I92 VanDerWaalsContact CD2-CD1 3.47Å; L41-I92 HydrophobicContact CG-CD1 3.71Å; L41-L99 HydrophobicContact CD2-CD1 4.24Å |
| 42 | E | 92.2 | Very high | 91.9 | Very high | 81 Ų | 81 | 40 Ų | 40 | 38% | 0.379 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -48.8 | 174.2 | -173.8 | 169.4 | -155 | 0 | 0 | 111.9 | T40 I44 K45 L46 I85 | T40-E42 PolarHBondContact O-N 3.32Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 3.07Å; E42-K45 PolarHBondContact O-N 3.24Å; E42-L46 PolarHBondContact O-N 3.03Å; E42-I85 HydrophobicContact CB-CB 4.08Å; E42-I85 HydrophobicContact CB-CD1 4.32Å; E42-I85 HydrophobicContact CB-CG1 4.37Å; E42-I85 HydrophobicContact CG-CD1 4.34Å; E42-I85 PolarHBondContact N-O 3.37Å |
| 43 | E | 93.5 | Very high | 91.8 | Very high | 95 Ų | 95 | 38.7 Ų | 38.7 | 44% | 0.444 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.3 | -71.8 | 169.7 | 178.5 | 0 | 0 | 110.9 | S39 T40 K45 L46 Q47 | S39-E43 VanDerWaalsContact CA-OE2 3.22Å; S39-E43 WeakPolarHBondContact CA-OE2 3.39Å; S39-E43 WeakPolarHBondContact CB-OE2 3.18Å; S39-E43 PolarHBondContact OG-OE2 3.28Å; T40-E43 PolarHBondContact N-OE2 3Å; T40-E43 PolarHBondContact O-N 2.97Å; T40-E43 VanDerWaalsContact OG1-CG 3.32Å; T40-E43 WeakPolarHBondContact OG1-CG 3.38Å; T40-E43 PolarHBondContact OG1-N 3.44Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 2.93Å; E43-L46 WeakPolarHBondContact O-CB 3.27Å; E43-L46 PolarHBondContact O-N 3.13Å; E43-Q47 WeakPolarHBondContact O-CG 3.18Å; E43-Q47 PolarHBondContact O-N 3.38Å |
| 44 | I | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 176.8 | -70.2 | 170.2 | 0 | 0 | 0 | 110.6 | F23 V35 T40 L41 E42 L46 Q47 L48 F69 L89 | F23-I44 HydrophobicContact CE1-CG2 3.63Å; F23-I44 HydrophobicContact CE2-CG2 4.34Å; F23-I44 HydrophobicContact CZ-CG2 3.29Å; V35-I44 HydrophobicContact CB-CD1 4.35Å; V35-I44 HydrophobicContact CB-CG1 4.19Å; V35-I44 HydrophobicContact CG1-CG1 4.09Å; V35-I44 HydrophobicContact CG1-CG2 4.16Å; T40-I44 WeakPolarHBondContact O-CB 3.28Å; T40-I44 VanDerWaalsContact O-CG1 3.31Å; T40-I44 WeakPolarHBondContact O-CG1 3.43Å; T40-I44 PolarHBondContact O-N 3.26Å; L41-I44 HydrophobicContact CD2-CD1 4.42Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 3.07Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.84Å; I44-Q47 PolarHBondContact O-N 2.9Å; I44-L48 WeakPolarHBondContact O-CB 3.17Å; I44-L48 PolarHBondContact O-N 2.79Å; I44-F69 HydrophobicContact CG2-CE2 4.07Å; I44-F69 HydrophobicContact CG2-CZ 4.01Å; I44-L89 HydrophobicContact CD1-CB 3.82Å; I44-L89 HydrophobicContact CD1-CD1 4.48Å; I44-L89 HydrophobicContact CD1-CD2 4.24Å; I44-L89 HydrophobicContact CD1-CG 4.41Å |
| 45 | K | 94.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 178.3 | -169.1 | 165.2 | 63.4 | 166.2 | 0 | 111.7 | L41 E42 E43 L48 W49 K64 Y67 F69 | L41-K45 WeakPolarHBondContact O-CB 3.5Å; L41-K45 PolarHBondContact O-N 2.89Å; E42-K45 PolarHBondContact O-N 3.24Å; E43-K45 VanDerWaalsContact C-N 3.35Å; E43-K45 PolarHBondContact O-N 2.93Å; K45-L48 PolarHBondContact O-N 3.16Å; K45-W49 HydrophobicContact CD-CZ3 4.17Å; K45-W49 HydrophobicContact CG-CE3 3.72Å; K45-W49 HydrophobicContact CG-CZ3 3.69Å; K45-W49 PolarHBondContact O-N 3.37Å; K45-K64 WeakPolarHBondContact CD-O 3Å; K45-K64 VanDerWaalsContact CE-O 3.27Å; K45-K64 WeakPolarHBondContact CE-O 3.38Å; K45-K64 HydrophobicContact CG-CB 4.45Å; K45-K64 PolarHBondContact NZ-O 3.02Å; K45-Y67 PolarHBondContact NZ-O 3.24Å; K45-F69 HydrophobicContact CB-CE2 3.77Å; K45-F69 HydrophobicContact CB-CZ 3.85Å; K45-F69 HydrophobicContact CG-CE2 4.38Å; K45-F69 HydrophobicContact CG-CZ 4.2Å |
| 46 | L | 94.5 | Very high | 91.8 | Very high | 89 Ų | 89 | 49.2 Ų | 49.2 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 174.5 | -178.1 | 64.7 | 0 | 0 | 0 | 111.5 | E42 E43 I44 L48 W49 I50 K64 | E42-L46 PolarHBondContact O-N 3.03Å; E43-L46 WeakPolarHBondContact O-CB 3.27Å; E43-L46 PolarHBondContact O-N 3.13Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.84Å; L46-L48 VanDerWaalsContact C-N 3.28Å; L46-L48 PolarHBondContact O-N 3.33Å; L46-W49 PolarHBondContact O-N 3.36Å; L46-I50 HydrophobicContact CD1-CD1 4.47Å; L46-I50 HydrophobicContact CG-CD1 4.2Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3Å; L46-I50 VanDerWaalsContact O-N 3.1Å; L46-K64 HydrophobicContact CD1-CD 4.43Å |
| 47 | Q | 94.3 | Very high | 92 | Very high | 83 Ų | 83 | 51.2 Ų | 51.2 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 176.1 | -69.7 | 179.4 | 3.6 | 0 | 0 | 111.9 | E43 I44 I50 S51 | E43-Q47 WeakPolarHBondContact O-CG 3.18Å; E43-Q47 PolarHBondContact O-N 3.38Å; I44-Q47 PolarHBondContact O-N 2.9Å; Q47-I50 PolarHBondContact O-N 3.48Å; Q47-S51 WeakPolarHBondContact O-CB 3.5Å; Q47-S51 PolarHBondContact O-N 2.9Å; Q47-S51 VanDerWaalsContact O-N 3.08Å; Q47-S51 PolarHBondContact O-OG 3.08Å |
| 48 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 176.4 | -178.3 | 63.6 | 0 | 0 | 0 | 112.1 | F23 L25 I31 L33 I44 K45 L46 I50 S51 A52 F69 V101 | F23-L48 HydrophobicContact CB-CD1 3.52Å; F23-L48 HydrophobicContact CB-CD2 3.88Å; F23-L48 HydrophobicContact CB-CG 4.37Å; F23-L48 HydrophobicContact CD1-CD1 4.29Å; F23-L48 HydrophobicContact CD1-CD2 3.6Å; F23-L48 HydrophobicContact CD1-CG 4.49Å; F23-L48 HydrophobicContact CD2-CD1 3.91Å; F23-L48 HydrophobicContact CE1-CD2 4.31Å; F23-L48 HydrophobicContact CG-CD1 3.63Å; F23-L48 HydrophobicContact CG-CD2 3.78Å; F23-L48 HydrophobicContact CG-CG 4.3Å; L25-L48 HydrophobicContact CD1-CD1 4.22Å; I31-L48 HydrophobicContact CB-CD1 4.08Å; I31-L48 HydrophobicContact CD1-CD1 3.99Å; I31-L48 HydrophobicContact CG2-CD1 4.36Å; L33-L48 HydrophobicContact CD1-CB 3.97Å; L33-L48 HydrophobicContact CD1-CD1 3.6Å; L33-L48 HydrophobicContact CD1-CG 4.42Å; I44-L48 WeakPolarHBondContact O-CB 3.17Å; I44-L48 PolarHBondContact O-N 2.79Å; K45-L48 PolarHBondContact O-N 3.16Å; L46-L48 VanDerWaalsContact C-N 3.28Å; L46-L48 PolarHBondContact O-N 3.33Å; L48-I50 PolarHBondContact O-N 2.91Å; L48-S51 PolarHBondContact O-N 3.47Å; L48-S51 VanDerWaalsContact O-N 3.15Å; L48-A52 VanDerWaalsContact O-CB 3.31Å; L48-A52 WeakPolarHBondContact O-CB 3.47Å; L48-A52 PolarHBondContact O-N 3.01Å; L48-F69 HydrophobicContact CD2-CE1 3.66Å; L48-F69 HydrophobicContact CD2-CZ 3.97Å; L48-V101 HydrophobicContact CD2-CG2 3.65Å |
| 49 | W | 95.7 | Very high | 92.9 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 178.9 | -108.7 | -103.3 | 0 | 0 | 0 | 112.8 | K45 L46 S51 A52 A53 F58 K64 Y67 V101 | K45-W49 HydrophobicContact CD-CZ3 4.17Å; K45-W49 HydrophobicContact CG-CE3 3.72Å; K45-W49 HydrophobicContact CG-CZ3 3.69Å; K45-W49 PolarHBondContact O-N 3.37Å; L46-W49 PolarHBondContact O-N 3.36Å; W49-S51 PolarHBondContact O-N 3.16Å; W49-A52 PolarHBondContact O-N 3.39Å; W49-A53 WeakPolarHBondContact O-CB 3.43Å; W49-A53 PolarHBondContact O-N 2.75Å; W49-F58 AromaticContact CD1-CE2 3.9Å; W49-F58 AromaticContact CD1-CZ 3.96Å; W49-K64 HydrophobicContact CB-CB 4.4Å; W49-K64 HydrophobicContact CD2-CB 3.34Å; W49-K64 VanDerWaalsContact CE2-CB 3.49Å; W49-K64 HydrophobicContact CE3-CB 3.79Å; W49-K64 HydrophobicContact CG-CB 3.6Å; W49-K64 HydrophobicContact CH2-CB 4.42Å; W49-K64 VanDerWaalsContact CZ2-CA 3.5Å; W49-K64 HydrophobicContact CZ2-CB 4.07Å; W49-K64 HydrophobicContact CZ3-CB 4.3Å; W49-Y67 AromaticContact CH2-CD2 3.38Å; W49-Y67 HydrophobicContact CH2-CD2 3.38Å; W49-Y67 HydrophobicContact CH2-CE2 4.16Å; W49-Y67 AromaticContact CH2-CG 3.74Å; W49-Y67 HydrophobicContact CH2-CG 3.74Å; W49-Y67 AromaticContact CZ2-CD2 3.26Å; W49-Y67 HydrophobicContact CZ2-CD2 3.26Å; W49-Y67 AromaticContact CZ2-CE2 3.69Å; W49-Y67 HydrophobicContact CZ2-CE2 3.69Å; W49-Y67 HydrophobicContact CZ2-CG 4.1Å; W49-V101 HydrophobicContact CH2-CG1 3.74Å; W49-V101 HydrophobicContact CZ3-CG1 4.17Å |
| 50 | I | 94.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 174.5 | -67.3 | 166.3 | 0 | 0 | 0 | 111.1 | L46 Q47 L48 | L46-I50 HydrophobicContact CD1-CD1 4.47Å; L46-I50 HydrophobicContact CG-CD1 4.2Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3Å; L46-I50 VanDerWaalsContact O-N 3.1Å; Q47-I50 PolarHBondContact O-N 3.48Å; L48-I50 PolarHBondContact O-N 2.91Å |
| 51 | S | 93.7 | Very high | 93.2 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -76.8 | -41.2 | 179.4 | -57 | 0 | 0 | 0 | 0 | 111.6 | L33 Q47 L48 W49 A53 K54 | L33-S51 WeakPolarHBondContact CD2-OG 3.09Å; Q47-S51 WeakPolarHBondContact O-CB 3.5Å; Q47-S51 PolarHBondContact O-N 2.9Å; Q47-S51 VanDerWaalsContact O-N 3.08Å; Q47-S51 PolarHBondContact O-OG 3.08Å; L48-S51 PolarHBondContact O-N 3.47Å; L48-S51 VanDerWaalsContact O-N 3.15Å; W49-S51 PolarHBondContact O-N 3.16Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 3.17Å; S51-K54 PolarHBondContact O-N 2.97Å |
| 52 | A | 94.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L25 I31 L48 W49 K54 L55 F58 | L25-A52 HydrophobicContact CD2-CB 3.73Å; I31-A52 HydrophobicContact CD1-CB 3.71Å; L48-A52 VanDerWaalsContact O-CB 3.31Å; L48-A52 WeakPolarHBondContact O-CB 3.47Å; L48-A52 PolarHBondContact O-N 3.01Å; W49-A52 PolarHBondContact O-N 3.39Å; A52-K54 PolarHBondContact O-N 3.26Å; A52-L55 PolarHBondContact O-N 2.89Å; A52-F58 HydrophobicContact CB-CD2 3.82Å; A52-F58 HydrophobicContact CB-CE2 3.96Å; A52-F58 WeakPolarHBondContact O-CD2 3.44Å |
| 53 | A | 94.2 | Very high | 93 | Very high | 53 Ų | 53 | 65.2 Ų | 65.2 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W49 S51 F58 | W49-A53 WeakPolarHBondContact O-CB 3.43Å; W49-A53 PolarHBondContact O-N 2.75Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 3.17Å; A53-F58 VanDerWaalsContact CA-CD2 3.47Å; A53-F58 HydrophobicContact CB-CD1 4.27Å; A53-F58 HydrophobicContact CB-CD2 4.3Å; A53-F58 HydrophobicContact CB-CE1 3.95Å; A53-F58 HydrophobicContact CB-CE2 3.99Å; A53-F58 HydrophobicContact CB-CG 4.43Å; A53-F58 HydrophobicContact CB-CZ 3.8Å |
| 54 | K | 94.1 | Very high | 92.9 | Very high | 167 Ų | 167 | 62.9 Ų | 62.9 | 73% | 0.726 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -3.1 | 179 | -57.8 | 174.3 | -172.9 | 172.6 | 0 | 113.2 | S51 A52 | S51-K54 PolarHBondContact O-N 2.97Å; A52-K54 PolarHBondContact O-N 3.26Å |
| 55 | L | 92.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 67.7 Ų | 67.7 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -108.7 | 157.9 | -174.3 | -61.4 | 179.1 | 0 | 0 | 0 | 111.2 | I29 I31 A52 | I29-L55 HydrophobicContact CD1-CB 4.26Å; I29-L55 HydrophobicContact CG2-CD1 3.79Å; I31-L55 HydrophobicContact CD1-CD1 3.53Å; I31-L55 HydrophobicContact CG1-CD1 3.58Å; A52-L55 PolarHBondContact O-N 2.89Å |
| 56 | P | 89.6 | Confident | 92.2 | Very high | 96 Ų | 96 | 69.9 Ų | 69.9 | 62% | 0.623 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 159.5 | 174.5 | -23.2 | 34 | 0 | 0 | 0 | 112.1 | I29 F58 | I29-P56 WeakPolarHBondContact CD1-O 3.29Å; P56-F58 PolarHBondContact O-N 3.25Å; P56-F58 VanDerWaalsContact O-N 3.13Å |
| 57 | L | 91.2 | Very high | 92 | Very high | 89 Ų | 89 | 65.9 Ų | 65.9 | 47% | 0.466 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 22.7 | 175.7 | -49.4 | 174 | 0 | 0 | 0 | 113.8 | N27 I29 D59 I60 | N27-L57 HydrophobicContact CB-CB 4.14Å; N27-L57 PolarHBondContact ND2-O 2.82Å; I29-L57 HydrophobicContact CD1-CB 4.46Å; L57-D59 VanDerWaalsContact C-N 3.32Å; L57-D59 WeakPolarHBondContact CA-OD1 3.32Å; L57-I60 HydrophobicContact CB-CD1 4.1Å; L57-I60 HydrophobicContact CB-CG1 4.06Å; L57-I60 WeakPolarHBondContact O-CG1 3.33Å |
| 58 | F | 92.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 28% | 0.281 | 33% | 0.333 | S | S | . | . | trans | -71.8 | -32.3 | 173.7 | 179.2 | -102.7 | 0 | 0 | 0 | 111.8 | W49 A52 A53 P56 I60 L61 | W49-F58 AromaticContact CD1-CE2 3.9Å; W49-F58 AromaticContact CD1-CZ 3.96Å; A52-F58 HydrophobicContact CB-CD2 3.82Å; A52-F58 HydrophobicContact CB-CE2 3.96Å; A52-F58 WeakPolarHBondContact O-CD2 3.44Å; A53-F58 VanDerWaalsContact CA-CD2 3.47Å; A53-F58 HydrophobicContact CB-CD1 4.27Å; A53-F58 HydrophobicContact CB-CD2 4.3Å; A53-F58 HydrophobicContact CB-CE1 3.95Å; A53-F58 HydrophobicContact CB-CE2 3.99Å; A53-F58 HydrophobicContact CB-CG 4.43Å; A53-F58 HydrophobicContact CB-CZ 3.8Å; P56-F58 PolarHBondContact O-N 3.25Å; P56-F58 VanDerWaalsContact O-N 3.13Å; F58-I60 PolarHBondContact O-N 3.21Å; F58-L61 HydrophobicContact CD2-CD1 3.82Å; F58-L61 HydrophobicContact CE2-CD1 4.26Å; F58-L61 WeakPolarHBondContact O-CB 3.43Å; F58-L61 PolarHBondContact O-N 2.97Å | ||
| 59 | D | 90.5 | Very high | 91.5 | Very high | 137 Ų | 137 | 62.5 Ų | 62.5 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.6 | 179.6 | 54.7 | -44.6 | 0 | 0 | 0 | 114.2 | L57 | L57-D59 VanDerWaalsContact C-N 3.32Å; L57-D59 WeakPolarHBondContact CA-OD1 3.32Å |
| 60 | I | 92.4 | Very high | 91.3 | Very high | 105 Ų | 105 | 61.4 Ų | 61.4 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.6 | 174.1 | 63 | 161.1 | 0 | 0 | 0 | 113.6 | N27 L57 F58 | N27-I60 HydrophobicContact CB-CD1 3.62Å; N27-I60 HydrophobicContact CB-CG1 3.95Å; L57-I60 HydrophobicContact CB-CD1 4.1Å; L57-I60 HydrophobicContact CB-CG1 4.06Å; L57-I60 WeakPolarHBondContact O-CG1 3.33Å; F58-I60 PolarHBondContact O-N 3.21Å |
| 61 | L | 90.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | trans | -82.6 | 139.5 | 173.5 | -59.7 | 176.5 | 0 | 0 | 0 | 110.1 | L25 P26 N27 F58 | L25-L61 HydrophobicContact CD2-CD1 3.62Å; P26-L61 HydrophobicContact CB-CD2 4.34Å; P26-L61 HydrophobicContact CG-CD2 4.21Å; N27-L61 HydrophobicContact CB-CD2 3.92Å; F58-L61 HydrophobicContact CD2-CD1 3.82Å; F58-L61 HydrophobicContact CE2-CD1 4.26Å; F58-L61 WeakPolarHBondContact O-CB 3.43Å; F58-L61 PolarHBondContact O-N 2.97Å | ||
| 62 | Q | 89.7 | Confident | 90.4 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | trans | -74.4 | -172.4 | 171.5 | -56.5 | 180 | 35 | 0 | 0 | 111.1 | D66 Y67 E103 | Q62-D66 HydrophobicContact CB-CB 3.96Å; Q62-D66 WeakPolarHBondContact CB-OD2 2.97Å; Q62-Y67 HydrophobicContact CB-CE2 3.69Å; Q62-Y67 PolarHBondContact N-OH 2.9Å; Q62-E103 PolarHBondContact NE2-OE1 3.12Å | ||
| 63 | S | 89.6 | Confident | 89.6 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | trans | -61.4 | 148.1 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | N65 D66 Y67 | S63-N65 PolarHBondContact O-N 3.4Å; S63-N65 PolarHBondContact OG-N 2.76Å; S63-D66 WeakPolarHBondContact CB-OD2 3.39Å; S63-D66 PolarHBondContact N-OD2 3.35Å; S63-D66 WeakPolarHBondContact O-CB 3.19Å; S63-D66 PolarHBondContact O-N 3.19Å; S63-Y67 WeakPolarHBondContact O-CD2 3.13Å | ||
| 64 | K | 90 | Very high | 88.4 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -53.4 | -23.3 | 172.7 | 78.1 | 177.3 | -179.8 | 65.9 | 0 | 113.6 | K45 L46 W49 D66 | K45-K64 WeakPolarHBondContact CD-O 3Å; K45-K64 VanDerWaalsContact CE-O 3.27Å; K45-K64 WeakPolarHBondContact CE-O 3.38Å; K45-K64 HydrophobicContact CG-CB 4.45Å; K45-K64 PolarHBondContact NZ-O 3.02Å; L46-K64 HydrophobicContact CD1-CD 4.43Å; W49-K64 HydrophobicContact CB-CB 4.4Å; W49-K64 HydrophobicContact CD2-CB 3.34Å; W49-K64 VanDerWaalsContact CE2-CB 3.49Å; W49-K64 HydrophobicContact CE3-CB 3.79Å; W49-K64 HydrophobicContact CG-CB 3.6Å; W49-K64 HydrophobicContact CH2-CB 4.42Å; W49-K64 VanDerWaalsContact CZ2-CA 3.5Å; W49-K64 HydrophobicContact CZ2-CB 4.07Å; W49-K64 HydrophobicContact CZ3-CB 4.3Å; K64-D66 VanDerWaalsContact C-N 3.32Å |
| 65 | N | 86.5 | Confident | 86.8 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -78.7 | -18.3 | -179.4 | -62.6 | -15.8 | 0 | 0 | 0 | 112.4 | S63 Y67 | S63-N65 PolarHBondContact O-N 3.4Å; S63-N65 PolarHBondContact OG-N 2.76Å; N65-Y67 PolarHBondContact O-N 3.15Å |
| 66 | D | 88.3 | Confident | 85.4 | Confident | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -84.5 | 5.2 | 176.8 | -55.3 | -45.6 | 0 | 0 | 0 | 112.3 | Q62 S63 K64 E103 T104 | Q62-D66 HydrophobicContact CB-CB 3.96Å; Q62-D66 WeakPolarHBondContact CB-OD2 2.97Å; S63-D66 WeakPolarHBondContact CB-OD2 3.39Å; S63-D66 PolarHBondContact N-OD2 3.35Å; S63-D66 WeakPolarHBondContact O-CB 3.19Å; S63-D66 PolarHBondContact O-N 3.19Å; K64-D66 VanDerWaalsContact C-N 3.32Å; D66-E103 CarbonylContact O-C 3.58Å; D66-E103 WeakPolarHBondContact O-CA 3.43Å; D66-T104 PolarHBondContact O-N 3.16Å; D66-T104 PolarHBondContact O-OG1 2.98Å; D66-T104 VanDerWaalsContact O-OG1 3.1Å |
| 67 | Y | 90.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148.5 | -177.9 | -59.1 | -80.8 | 0 | 0 | 0 | 113.2 | P26 K45 W49 Q62 S63 N65 V101 V102 E103 | P26-Y67 HydrophobicContact CB-CE1 4.28Å; P26-Y67 HydrophobicContact CG-CD1 3.88Å; P26-Y67 HydrophobicContact CG-CE1 3.42Å; P26-Y67 VanDerWaalsContact CG-CE1 3.42Å; K45-Y67 PolarHBondContact NZ-O 3.24Å; W49-Y67 AromaticContact CH2-CD2 3.38Å; W49-Y67 HydrophobicContact CH2-CD2 3.38Å; W49-Y67 HydrophobicContact CH2-CE2 4.16Å; W49-Y67 AromaticContact CH2-CG 3.74Å; W49-Y67 HydrophobicContact CH2-CG 3.74Å; W49-Y67 AromaticContact CZ2-CD2 3.26Å; W49-Y67 HydrophobicContact CZ2-CD2 3.26Å; W49-Y67 AromaticContact CZ2-CE2 3.69Å; W49-Y67 HydrophobicContact CZ2-CE2 3.69Å; W49-Y67 HydrophobicContact CZ2-CG 4.1Å; Q62-Y67 HydrophobicContact CB-CE2 3.69Å; Q62-Y67 PolarHBondContact N-OH 2.9Å; S63-Y67 WeakPolarHBondContact O-CD2 3.13Å; N65-Y67 PolarHBondContact O-N 3.15Å; Y67-V101 HydrophobicContact CD1-CG1 3.81Å; Y67-V101 HydrophobicContact CG-CG1 3.78Å; Y67-V102 CarbonylContact C-O 3.48Å; Y67-V102 VanDerWaalsContact CA-O 3.24Å; Y67-V102 WeakPolarHBondContact CA-O 3.42Å; Y67-E103 HydrophobicContact CD1-CB 4.46Å; Y67-E103 HydrophobicContact CD1-CG 3.86Å; Y67-E103 HydrophobicContact CE1-CB 4.44Å; Y67-E103 HydrophobicContact CE1-CG 3.4Å; Y67-E103 VanDerWaalsContact CE1-CG 3.4Å |
| 68 | I | 89.3 | Confident | 83.5 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 172.6 | 168.6 | 62.4 | -175.7 | 0 | 0 | 0 | 110.5 | E81 Y83 V101 V102 T104 | I68-E81 HydrophobicContact CD1-CB 3.86Å; I68-E81 HydrophobicContact CD1-CG 4.29Å; I68-Y83 HydrophobicContact CD1-CD1 3.77Å; I68-Y83 HydrophobicContact CD1-CD2 4.3Å; I68-Y83 HydrophobicContact CD1-CE1 3.35Å; I68-Y83 HydrophobicContact CD1-CE2 3.9Å; I68-Y83 HydrophobicContact CD1-CG 4.24Å; I68-Y83 VanDerWaalsContact CD1-CZ 3.41Å; I68-Y83 HydrophobicContact CG2-CD1 4.03Å; I68-Y83 HydrophobicContact CG2-CE1 4.38Å; I68-V101 WeakPolarHBondContact O-CA 3.32Å; I68-V102 HydrophobicContact CD1-CG2 4.03Å; I68-V102 HydrophobicContact CG1-CG2 3.46Å; I68-V102 VanDerWaalsContact CG1-CG2 3.46Å; I68-V102 PolarHBondContact N-O 3.46Å; I68-V102 PolarHBondContact O-N 3.47Å; I68-T104 HydrophobicContact CG2-CG2 3.53Å |
| 69 | F | 91.9 | Very high | 82.9 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 145.9 | 169.1 | -67.4 | -58.2 | 0 | 0 | 0 | 110.9 | F23 L41 I44 K45 L48 F82 L99 R100 V101 | F23-F69 HydrophobicContact CD1-CD1 4.16Å; F23-F69 AromaticContact CD1-CE1 3.46Å; F23-F69 HydrophobicContact CD1-CE1 3.46Å; F23-F69 VanDerWaalsContact CD1-CE1 3.46Å; F23-F69 HydrophobicContact CD1-CZ 4.05Å; F23-F69 HydrophobicContact CE1-CD1 4.18Å; F23-F69 AromaticContact CE1-CE1 3.49Å; F23-F69 HydrophobicContact CE1-CE1 3.49Å; F23-F69 VanDerWaalsContact CE1-CE1 3.49Å; F23-F69 HydrophobicContact CE1-CE2 4.48Å; F23-F69 AromaticContact CE1-CZ 3.66Å; F23-F69 HydrophobicContact CE1-CZ 3.66Å; L41-F69 HydrophobicContact CB-CD2 4.12Å; L41-F69 HydrophobicContact CB-CE2 4.36Å; L41-F69 HydrophobicContact CD1-CD2 4.19Å; L41-F69 HydrophobicContact CD2-CD2 3.71Å; L41-F69 HydrophobicContact CD2-CE2 4.15Å; L41-F69 HydrophobicContact CG-CD2 4.22Å; L41-F69 WeakPolarHBondContact O-CE2 3.44Å; I44-F69 HydrophobicContact CG2-CE2 4.07Å; I44-F69 HydrophobicContact CG2-CZ 4.01Å; K45-F69 HydrophobicContact CB-CE2 3.77Å; K45-F69 HydrophobicContact CB-CZ 3.85Å; K45-F69 HydrophobicContact CG-CE2 4.38Å; K45-F69 HydrophobicContact CG-CZ 4.2Å; L48-F69 HydrophobicContact CD2-CE1 3.66Å; L48-F69 HydrophobicContact CD2-CZ 3.97Å; F69-F82 HydrophobicContact CB-CD2 4.16Å; F69-F82 PolarHBondContact O-N 2.88Å; F69-L99 HydrophobicContact CB-CB 4.42Å; F69-L99 HydrophobicContact CB-CD1 4.35Å; F69-L99 HydrophobicContact CB-CD2 4.22Å; F69-L99 HydrophobicContact CD1-CB 3.94Å; F69-L99 HydrophobicContact CD1-CD1 4.32Å; F69-L99 HydrophobicContact CD2-CD1 4.4Å; F69-L99 HydrophobicContact CG-CB 4.36Å; F69-L99 HydrophobicContact CG-CD1 4.12Å; F69-R100 CarbonylContact C-O 3.54Å; F69-R100 WeakPolarHBondContact CA-O 3.47Å; F69-V101 HydrophobicContact CD1-CG2 4.02Å; F69-V101 HydrophobicContact CE1-CG2 3.76Å |
| 70 | A | 89.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E79 E80 E81 L99 R100 V102 | A70-E79 HydrophobicContact CB-CG 4.12Å; A70-E80 CarbonylContact C-O 3.6Å; A70-E80 WeakPolarHBondContact CA-O 3.42Å; A70-E81 HydrophobicContact CB-CG 4.1Å; A70-L99 CarbonylContact O-C 3.57Å; A70-L99 WeakPolarHBondContact O-CA 3.27Å; A70-R100 PolarHBondContact N-O 3.3Å; A70-R100 PolarHBondContact O-N 2.68Å; A70-V102 HydrophobicContact CB-CG1 4.24Å; A70-V102 HydrophobicContact CB-CG2 4.05Å |
| 71 | G | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 159.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | N73 E80 F82 | G71-N73 PolarHBondContact O-N 3Å; G71-E80 PolarHBondContact N-O 3.17Å; G71-E80 PolarHBondContact O-N 3.03Å; G71-F82 VanDerWaalsContact N-CE2 3.31Å |
| 72 | V | 83.5 | Confident | 81.4 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.9 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | D78 L95 Y98 | V72-D78 CarbonylContact C-O 3.57Å; V72-D78 WeakPolarHBondContact CA-O 3.06Å; V72-L95 HydrophobicContact CB-CB 4.29Å; V72-L95 HydrophobicContact CG1-CB 3.88Å; V72-L95 HydrophobicContact CG1-CD2 3.66Å; V72-L95 HydrophobicContact CG1-CG 4.43Å; V72-L95 WeakPolarHBondContact O-CB 3.4Å; V72-L95 PolarHBondContact O-N 3.35Å; V72-Y98 WeakPolarHBondContact CG2-OH 3.41Å |
| 73 | N | 76.6 | Confident | 80.7 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 132.6 | 175.4 | 180 | -44.4 | 0 | 0 | 0 | 109.7 | G71 D75 T76 A77 D78 E80 P93 | G71-N73 PolarHBondContact O-N 3Å; N73-D75 WeakPolarHBondContact OD1-CA 3.46Å; N73-D75 PolarHBondContact OD1-N 3.03Å; N73-T76 WeakPolarHBondContact CB-OG1 3.49Å; N73-T76 PolarHBondContact OD1-N 3.33Å; N73-T76 VanDerWaalsContact OD1-N 3.14Å; N73-A77 WeakPolarHBondContact O-CA 3.47Å; N73-A77 PolarHBondContact O-N 2.94Å; N73-D78 PolarHBondContact N-O 3.39Å; N73-E80 HydrophobicContact CB-CB 4.25Å; N73-E80 PolarHBondContact ND2-OE2 3.27Å; N73-P93 CarbonylContact C-O 3.58Å; N73-P93 VanDerWaalsContact CA-O 3.23Å; N73-P93 WeakPolarHBondContact CA-O 3.38Å; N73-P93 VanDerWaalsContact ND2-CG 3.28Å; N73-P93 WeakPolarHBondContact ND2-CG 3.43Å |
| 74 | R | 69.3 | Low | 79.7 | Confident | 60 Ų | 60 | 37.1 Ų | 37.1 | 23% | 0.226 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -32.9 | -175.9 | -177.2 | -177.4 | 66.5 | -160.3 | -12 | 112.9 | K8 P93 L95 | K8-R74 PolarHBondContact O-NH1 3.48Å; R74-P93 WeakPolarHBondContact CB-O 3.5Å; R74-P93 PolarHBondContact N-O 3.44Å; R74-L95 HydrophobicContact CB-CB 4.29Å; R74-L95 HydrophobicContact CB-CD1 4.44Å; R74-L95 HydrophobicContact CG-CD1 4.07Å |
| 75 | D | 60 | Low | 79.2 | Confident | 110 Ų | 110 | 37.4 Ų | 37.4 | 59% | 0.588 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -32.5 | -172.8 | -56.5 | -30.7 | 0 | 0 | 0 | 110.5 | N73 | N73-D75 WeakPolarHBondContact OD1-CA 3.46Å; N73-D75 PolarHBondContact OD1-N 3.03Å |
| 76 | T | 64.6 | Low | 78.9 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 22% | 0.221 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -18.9 | 178.4 | 63 | 0 | 0 | 0 | 0 | 114.6 | N73 D78 P127 | N73-T76 WeakPolarHBondContact CB-OG1 3.49Å; N73-T76 PolarHBondContact OD1-N 3.33Å; N73-T76 VanDerWaalsContact OD1-N 3.14Å; T76-D78 PolarHBondContact O-N 2.84Å; T76-D78 PolarHBondContact OG1-N 3.16Å; T76-P127 WeakPolarHBondContact O-CG 3.35Å |
| 77 | A | 72.7 | Confident | 78.2 | Confident | 68 Ų | 68 | 37 Ų | 37 | 56% | 0.562 | 19% | 0.191 | S | C | * | . | trans | 60 | 14.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N73 | N73-A77 WeakPolarHBondContact O-CA 3.47Å; N73-A77 PolarHBondContact O-N 2.94Å | ||
| 78 | D | 67.4 | Low | 77.8 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -90.1 | 152 | 174.2 | -75.7 | -29.4 | 0 | 0 | 0 | 111.6 | V72 N73 T76 E80 P127 T129 | V72-D78 CarbonylContact C-O 3.57Å; V72-D78 WeakPolarHBondContact CA-O 3.06Å; N73-D78 PolarHBondContact N-O 3.39Å; T76-D78 PolarHBondContact O-N 2.84Å; T76-D78 PolarHBondContact OG1-N 3.16Å; D78-E80 PolarHBondContact O-N 3.35Å; D78-P127 WeakPolarHBondContact OD2-CB 3.25Å; D78-T129 VanDerWaalsContact OD1-CG2 3.31Å; D78-T129 WeakPolarHBondContact OD1-CG2 3.48Å; D78-T129 PolarHBondContact OD1-OG1 3.43Å; D78-T129 PolarHBondContact OD2-OG1 2.9Å |
| 79 | E | 80.8 | Confident | 77.6 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 34% | 0.341 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 115.1 | 163.2 | -176.7 | 167 | -115.9 | 0 | 0 | 108.6 | A70 R100 R383 | A70-E79 HydrophobicContact CB-CG 4.12Å; E79-R100 IonicContact OE1-CZ 3.42Å; E79-R100 IonicContact OE1-NE 3.93Å; E79-R100 IonicContact OE1-NH1 2.7Å; E79-R100 PolarHBondContact OE1-NH1 3.24Å; E79-R100 IonicContact OE2-CZ 3.53Å; E79-R100 IonicContact OE2-NH1 3.29Å; E79-R100 PolarHBondContact OE2-NH1 3.47Å; E79-R100 IonicContact OE2-NH2 2.89Å; E79-R383 IonicContact OE2-NH2 3.42Å |
| 80 | E | 76.7 | Confident | 76.9 | Confident | 45 Ų | 45 | 41 Ų | 41 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.1 | 176.6 | -174.2 | -179.9 | 166.2 | 0 | 0 | 109.2 | A70 G71 N73 D78 F82 R87 | A70-E80 CarbonylContact C-O 3.6Å; A70-E80 WeakPolarHBondContact CA-O 3.42Å; G71-E80 PolarHBondContact N-O 3.17Å; G71-E80 PolarHBondContact O-N 3.03Å; N73-E80 HydrophobicContact CB-CB 4.25Å; N73-E80 PolarHBondContact ND2-OE2 3.27Å; D78-E80 PolarHBondContact O-N 3.35Å; E80-F82 HydrophobicContact CB-CE1 3.83Å; E80-F82 HydrophobicContact CB-CZ 4.02Å; E80-F82 VanDerWaalsContact CD-CE1 3.49Å; E80-F82 HydrophobicContact CG-CD1 4.11Å; E80-F82 HydrophobicContact CG-CE1 3.64Å; E80-F82 HydrophobicContact CG-CZ 4.35Å; E80-R87 IonicContact OE1-NH1 3.59Å |
| 81 | E | 83.1 | Confident | 76 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.6 | 174.1 | -70.3 | 176.4 | 178.7 | 0 | 0 | 109.7 | I68 A70 Y83 V102 | I68-E81 HydrophobicContact CD1-CB 3.86Å; I68-E81 HydrophobicContact CD1-CG 4.29Å; A70-E81 HydrophobicContact CB-CG 4.1Å; E81-Y83 HydrophobicContact CB-CD2 4.21Å; E81-Y83 HydrophobicContact CB-CE2 3.58Å; E81-Y83 WeakPolarHBondContact O-CD2 3.27Å; E81-Y83 PolarHBondContact O-N 3.1Å; E81-Y83 PolarHBondContact OE2-OH 2.79Å; E81-V102 HydrophobicContact CG-CG2 4.48Å |
| 82 | F | 81.3 | Confident | 75.5 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 92 | -175.5 | -51.1 | -61.6 | 0 | 0 | 0 | 110.6 | L41 F69 G71 E80 I92 L94 L99 | L41-F82 HydrophobicContact CD1-CB 3.54Å; L41-F82 HydrophobicContact CD1-CG 4.3Å; F69-F82 HydrophobicContact CB-CD2 4.16Å; F69-F82 PolarHBondContact O-N 2.88Å; G71-F82 VanDerWaalsContact N-CE2 3.31Å; E80-F82 HydrophobicContact CB-CE1 3.83Å; E80-F82 HydrophobicContact CB-CZ 4.02Å; E80-F82 VanDerWaalsContact CD-CE1 3.49Å; E80-F82 HydrophobicContact CG-CD1 4.11Å; E80-F82 HydrophobicContact CG-CE1 3.64Å; E80-F82 HydrophobicContact CG-CZ 4.35Å; F82-I92 HydrophobicContact CD1-CG2 3.92Å; F82-I92 HydrophobicContact CD2-CD1 4.4Å; F82-I92 HydrophobicContact CD2-CG2 4.22Å; F82-I92 HydrophobicContact CE1-CG2 3.31Å; F82-I92 HydrophobicContact CE2-CG2 3.64Å; F82-I92 HydrophobicContact CG-CD1 4.37Å; F82-I92 HydrophobicContact CG-CG2 4.35Å; F82-I92 HydrophobicContact CZ-CG2 3.16Å; F82-L94 HydrophobicContact CE2-CD2 3.96Å; F82-L94 HydrophobicContact CZ-CD2 4.04Å; F82-L99 HydrophobicContact CD2-CD2 4.05Å; F82-L99 HydrophobicContact CE2-CD2 3.76Å |
| 83 | Y | 75.8 | Confident | 75 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | trans | -76.9 | -26 | 176.2 | -67.5 | -85.4 | 0 | 0 | 0 | 113.1 | I68 E81 I85 A105 L111 | I68-Y83 HydrophobicContact CD1-CD1 3.77Å; I68-Y83 HydrophobicContact CD1-CD2 4.3Å; I68-Y83 HydrophobicContact CD1-CE1 3.35Å; I68-Y83 HydrophobicContact CD1-CE2 3.9Å; I68-Y83 HydrophobicContact CD1-CG 4.24Å; I68-Y83 VanDerWaalsContact CD1-CZ 3.41Å; I68-Y83 HydrophobicContact CG2-CD1 4.03Å; I68-Y83 HydrophobicContact CG2-CE1 4.38Å; E81-Y83 HydrophobicContact CB-CD2 4.21Å; E81-Y83 HydrophobicContact CB-CE2 3.58Å; E81-Y83 WeakPolarHBondContact O-CD2 3.27Å; E81-Y83 PolarHBondContact O-N 3.1Å; E81-Y83 PolarHBondContact OE2-OH 2.79Å; Y83-I85 PolarHBondContact O-N 3.16Å; Y83-A105 WeakPolarHBondContact OH-CB 3.38Å; Y83-L111 HydrophobicContact CD1-CD1 3.16Å; Y83-L111 HydrophobicContact CD1-CG 4Å; Y83-L111 HydrophobicContact CD2-CD1 4.17Å; Y83-L111 HydrophobicContact CD2-CG 4.12Å; Y83-L111 HydrophobicContact CE1-CD1 3.38Å; Y83-L111 HydrophobicContact CE1-CG 4.04Å; Y83-L111 HydrophobicContact CE2-CD1 4.37Å; Y83-L111 HydrophobicContact CE2-CG 4.21Å; Y83-L111 HydrophobicContact CG-CD1 3.58Å; Y83-L111 HydrophobicContact CG-CG 4.01Å | ||
| 84 | D | 67.8 | Low | 75.1 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | trans | -70.9 | 99.8 | 175 | -158 | -26.1 | 0 | 0 | 0 | 111.4 | L41 N86 R87 P313 I314 | L41-D84 WeakPolarHBondContact CD1-O 3.4Å; D84-N86 PolarHBondContact O-N 2.9Å; D84-N86 PolarHBondContact OD1-N 3.02Å; D84-R87 HydrophobicContact CB-CB 4.03Å; D84-R87 HydrophobicContact CB-CG 3.76Å; D84-R87 PolarHBondContact O-N 3.03Å; D84-R87 PolarHBondContact OD1-N 3.22Å; D84-P313 VanDerWaalsContact OD1-CB 3.28Å; D84-P313 WeakPolarHBondContact OD1-CB 3.43Å; D84-P313 VanDerWaalsContact OD1-CG 3.32Å; D84-P313 WeakPolarHBondContact OD1-CG 3.48Å; D84-I314 HydrophobicContact CB-CB 4.47Å; D84-I314 HydrophobicContact CB-CD1 4.24Å; D84-I314 HydrophobicContact CB-CG1 3.37Å; D84-I314 WeakPolarHBondContact OD2-CG1 3.32Å | ||
| 85 | I | 80.9 | Confident | 75.6 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.7 | 176.9 | 63.6 | 172.4 | 0 | 0 | 0 | 112.9 | L41 E42 Y83 | L41-I85 CarbonylContact C-O 3.43Å; L41-I85 WeakPolarHBondContact CB-O 3.39Å; L41-I85 PolarHBondContact N-O 3.32Å; E42-I85 HydrophobicContact CB-CB 4.08Å; E42-I85 HydrophobicContact CB-CD1 4.32Å; E42-I85 HydrophobicContact CB-CG1 4.37Å; E42-I85 HydrophobicContact CG-CD1 4.34Å; E42-I85 PolarHBondContact N-O 3.37Å; Y83-I85 PolarHBondContact O-N 3.16Å |
| 86 | N | 78.4 | Confident | 76.7 | Confident | 76 Ų | 76 | 41.9 Ų | 41.9 | 41% | 0.406 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6.6 | 178.6 | -57.9 | -26.6 | 0 | 0 | 0 | 113 | T40 D84 R88 P313 | T40-N86 WeakPolarHBondContact CG2-O 3.36Å; D84-N86 PolarHBondContact O-N 2.9Å; D84-N86 PolarHBondContact OD1-N 3.02Å; N86-R88 PolarHBondContact O-N 3.08Å; N86-P313 HydrophobicContact CB-CB 4.45Å; N86-P313 HydrophobicContact CB-CG 3.78Å; N86-P313 WeakPolarHBondContact ND2-CG 3.44Å |
| 87 | R | 75.1 | Confident | 77.7 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 28% | 0.279 | 22% | 0.22 | S | C | . | . | trans | -57.1 | 135.4 | 170.4 | -96.4 | -175.6 | 160.4 | -168.5 | -5.6 | 110.3 | T40 L41 E80 D84 E91 | T40-R87 CarbonylContact C-O 3.33Å; T40-R87 WeakPolarHBondContact CA-O 3.44Å; L41-R87 PolarHBondContact N-O 3.33Å; E80-R87 IonicContact OE1-NH1 3.59Å; D84-R87 HydrophobicContact CB-CB 4.03Å; D84-R87 HydrophobicContact CB-CG 3.76Å; D84-R87 PolarHBondContact O-N 3.03Å; D84-R87 PolarHBondContact OD1-N 3.22Å; R87-E91 VanDerWaalsContact CA-OE2 3.3Å; R87-E91 WeakPolarHBondContact CA-OE2 3.01Å | ||
| 88 | R | 81.8 | Confident | 78.5 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -82.3 | 150.8 | 174.4 | -60.9 | 178.4 | 169.2 | -164 | -14.7 | 110.1 | E38 S39 T40 N86 H90 E91 | E38-R88 WeakPolarHBondContact O-CD 3.47Å; E38-R88 WeakPolarHBondContact O-CG 3.48Å; E38-R88 IonicContact OE2-CZ 3.67Å; E38-R88 IonicContact OE2-NH1 2.88Å; E38-R88 PolarHBondContact OE2-NH1 3.34Å; S39-R88 WeakPolarHBondContact O-CA 3.35Å; T40-R88 HydrophobicContact CG2-CG 4.34Å; N86-R88 PolarHBondContact O-N 3.08Å; R88-H90 VanDerWaalsContact C-N 3.26Å; R88-H90 VanDerWaalsContact CD-CE1 3.47Å; R88-H90 WeakPolarHBondContact CD-CE1 3.43Å; R88-H90 PolarHBondContact O-N 3.07Å; R88-E91 HydrophobicContact CB-CG 4.03Å; R88-E91 PolarHBondContact N-OE2 3.35Å; R88-E91 WeakPolarHBondContact O-CB 3.48Å; R88-E91 PolarHBondContact O-N 2.94Å |
| 89 | L | 84.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -57.5 | -38.4 | -176.5 | -179.5 | 63.3 | 0 | 0 | 0 | 113 | I19 I21 V35 S37 S39 I44 E91 I92 L94 L99 | I19-L89 HydrophobicContact CD1-CD2 4.46Å; I21-L89 HydrophobicContact CD1-CD1 4.48Å; I21-L89 HydrophobicContact CD1-CD2 4.19Å; I21-L89 HydrophobicContact CG1-CD1 4.49Å; I21-L89 HydrophobicContact CG1-CD2 3.84Å; V35-L89 HydrophobicContact CB-CD2 4.47Å; V35-L89 HydrophobicContact CG2-CD2 3.46Å; V35-L89 VanDerWaalsContact CG2-CD2 3.46Å; S37-L89 PolarHBondContact O-N 3.41Å; S39-L89 PolarHBondContact O-N 3.4Å; I44-L89 HydrophobicContact CD1-CB 3.82Å; I44-L89 HydrophobicContact CD1-CD1 4.48Å; I44-L89 HydrophobicContact CD1-CD2 4.24Å; I44-L89 HydrophobicContact CD1-CG 4.41Å; L89-E91 PolarHBondContact O-N 3.31Å; L89-I92 PolarHBondContact O-N 3.34Å; L89-L94 HydrophobicContact CD1-CD1 3.93Å; L89-L99 HydrophobicContact CD1-CD1 4.31Å |
| 90 | H | 76.7 | Confident | 80.4 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -68.8 | -19.4 | 178 | 64.1 | -114.2 | 0 | 0 | 0 | 113.9 | S37 E38 R88 I92 E986 | S37-H90 PolarHBondContact O-N 3.33Å; S37-H90 VanDerWaalsContact O-N 3.08Å; S37-H90 PolarHBondContact O-ND1 3.38Å; E38-H90 IonicContact OE1-CE1 2.73Å; E38-H90 PolarHBondContact OE1-CE1 3.42Å; E38-H90 IonicContact OE1-ND1 3.1Å; E38-H90 PolarHBondContact OE1-ND1 2.97Å; E38-H90 VanDerWaalsContact OE1-ND1 3.09Å; E38-H90 IonicContact OE2-CE1 2.71Å; E38-H90 PolarHBondContact OE2-CE1 2.83Å; R88-H90 VanDerWaalsContact C-N 3.26Å; R88-H90 VanDerWaalsContact CD-CE1 3.47Å; R88-H90 WeakPolarHBondContact CD-CE1 3.43Å; R88-H90 PolarHBondContact O-N 3.07Å; H90-I92 VanDerWaalsContact C-N 3.29Å; H90-E986 IonicContact CD2-OE1 2.86Å; H90-E986 IonicContact CD2-OE2 3.62Å; H90-E986 PolarHBondContact CD2-OE2 3.03Å; H90-E986 IonicContact CE1-OE1 2.7Å; H90-E986 IonicContact NE2-OE1 3.5Å; H90-E986 PolarHBondContact NE2-OE1 3.49Å; H90-E986 IonicContact NE2-OE2 3.2Å; H90-E986 PolarHBondContact NE2-OE2 3.35Å |
| 91 | E | 71.2 | Confident | 81.2 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 31% | 0.313 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -78.8 | -18.4 | 178.3 | -61.3 | 174.5 | 154.2 | 0 | 0 | 111.8 | R87 R88 L89 E986 | R87-E91 VanDerWaalsContact CA-OE2 3.3Å; R87-E91 WeakPolarHBondContact CA-OE2 3.01Å; R88-E91 HydrophobicContact CB-CG 4.03Å; R88-E91 PolarHBondContact N-OE2 3.35Å; R88-E91 WeakPolarHBondContact O-CB 3.48Å; R88-E91 PolarHBondContact O-N 2.94Å; L89-E91 PolarHBondContact O-N 3.31Å; E91-E986 HydrophobicContact CG-CG 4.15Å; E91-E986 WeakPolarHBondContact OE1-CG 3.5Å |
| 92 | I | 77.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -84.2 | 123.3 | -178.1 | -55 | 175.2 | 0 | 0 | 0 | 108.4 | L41 F82 L89 H90 L94 | L41-I92 HydrophobicContact CD1-CD1 3.62Å; L41-I92 HydrophobicContact CD2-CD1 3.47Å; L41-I92 VanDerWaalsContact CD2-CD1 3.47Å; L41-I92 HydrophobicContact CG-CD1 3.71Å; F82-I92 HydrophobicContact CD1-CG2 3.92Å; F82-I92 HydrophobicContact CD2-CD1 4.4Å; F82-I92 HydrophobicContact CD2-CG2 4.22Å; F82-I92 HydrophobicContact CE1-CG2 3.31Å; F82-I92 HydrophobicContact CE2-CG2 3.64Å; F82-I92 HydrophobicContact CG-CD1 4.37Å; F82-I92 HydrophobicContact CG-CG2 4.35Å; F82-I92 HydrophobicContact CZ-CG2 3.16Å; L89-I92 PolarHBondContact O-N 3.34Å; H90-I92 VanDerWaalsContact C-N 3.29Å; I92-L94 HydrophobicContact CB-CG 4.25Å; I92-L94 HydrophobicContact CG2-CD1 4.49Å; I92-L94 HydrophobicContact CG2-CD2 3.81Å; I92-L94 HydrophobicContact CG2-CG 3.7Å; I92-L94 PolarHBondContact O-N 3.12Å |
| 93 | P | 72.9 | Confident | 81.7 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | trans | -75.5 | 65 | -179.9 | 33.2 | -36.8 | 0 | 0 | 0 | 110.2 | N73 R74 | N73-P93 CarbonylContact C-O 3.58Å; N73-P93 VanDerWaalsContact CA-O 3.23Å; N73-P93 WeakPolarHBondContact CA-O 3.38Å; N73-P93 VanDerWaalsContact ND2-CG 3.28Å; N73-P93 WeakPolarHBondContact ND2-CG 3.43Å; R74-P93 WeakPolarHBondContact CB-O 3.5Å; R74-P93 PolarHBondContact N-O 3.44Å | ||
| 94 | L | 78.8 | Confident | 81.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -73.2 | 130.1 | 179.9 | -68.9 | 175.7 | 0 | 0 | 0 | 111.7 | F11 F82 L89 I92 L99 | F11-L94 HydrophobicContact CD2-CB 4.42Å; F11-L94 HydrophobicContact CE2-CB 4.41Å; F82-L94 HydrophobicContact CE2-CD2 3.96Å; F82-L94 HydrophobicContact CZ-CD2 4.04Å; L89-L94 HydrophobicContact CD1-CD1 3.93Å; I92-L94 HydrophobicContact CB-CG 4.25Å; I92-L94 HydrophobicContact CG2-CD1 4.49Å; I92-L94 HydrophobicContact CG2-CD2 3.81Å; I92-L94 HydrophobicContact CG2-CG 3.7Å; I92-L94 PolarHBondContact O-N 3.12Å; L94-L99 HydrophobicContact CD1-CD2 3.98Å; L94-L99 HydrophobicContact CD1-CG 4.25Å; L94-L99 HydrophobicContact CD2-CD2 3.76Å; L94-L99 HydrophobicContact CG-CD2 4.49Å |
| 95 | L | 79.4 | Confident | 81.7 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.288 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -70.3 | -38.4 | 171.4 | -176.7 | 60.5 | 0 | 0 | 0 | 111.2 | V72 R74 | V72-L95 HydrophobicContact CB-CB 4.29Å; V72-L95 HydrophobicContact CG1-CB 3.88Å; V72-L95 HydrophobicContact CG1-CD2 3.66Å; V72-L95 HydrophobicContact CG1-CG 4.43Å; V72-L95 WeakPolarHBondContact O-CB 3.4Å; V72-L95 PolarHBondContact O-N 3.35Å; R74-L95 HydrophobicContact CB-CB 4.29Å; R74-L95 HydrophobicContact CB-CD1 4.44Å; R74-L95 HydrophobicContact CG-CD1 4.07Å |
| 96 | L | 82.7 | Confident | 80.9 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -136.4 | 151.4 | -176.9 | -69.5 | 173.6 | 0 | 0 | 0 | 110.2 | Y98 | L96-Y98 HydrophobicContact CB-CD1 3.58Å; L96-Y98 HydrophobicContact CB-CE1 3.78Å; L96-Y98 HydrophobicContact CD1-CD1 4.34Å; L96-Y98 HydrophobicContact CD1-CE1 3.96Å; L96-Y98 HydrophobicContact CG-CE1 4.48Å; L96-Y98 PolarHBondContact O-N 2.92Å |
| 97 | P | 86.1 | Confident | 80.4 | Confident | 57 Ų | 57 | 51.7 Ų | 51.7 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -76.2 | 55.9 | -178 | 33.9 | -38.5 | 0 | 0 | 0 | 112.7 | F11 I21 K22 | F11-P97 HydrophobicContact CE2-CB 3.92Å; F11-P97 HydrophobicContact CZ-CB 3.59Å; I21-P97 WeakPolarHBondContact CA-O 3.41Å; I21-P97 HydrophobicContact CD1-CB 3.78Å; K22-P97 PolarHBondContact N-O 3.08Å |
| 98 | Y | 89.5 | Confident | 80 | Confident | 62 Ų | 62 | 52 Ų | 52 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.5 | 172.9 | 80.2 | -95.5 | 0 | 0 | 0 | 111.1 | K22 L24 V72 L96 | K22-Y98 CarbonylContact O-C 3.54Å; K22-Y98 WeakPolarHBondContact O-CA 3.46Å; K22-Y98 WeakPolarHBondContact O-CB 3.31Å; L24-Y98 HydrophobicContact CD1-CD2 3.6Å; L24-Y98 HydrophobicContact CD1-CE2 4.46Å; L24-Y98 HydrophobicContact CD1-CG 4.15Å; V72-Y98 WeakPolarHBondContact CG2-OH 3.41Å; L96-Y98 HydrophobicContact CB-CD1 3.58Å; L96-Y98 HydrophobicContact CB-CE1 3.78Å; L96-Y98 HydrophobicContact CD1-CD1 4.34Å; L96-Y98 HydrophobicContact CD1-CE1 3.96Å; L96-Y98 HydrophobicContact CG-CE1 4.48Å; L96-Y98 PolarHBondContact O-N 2.92Å |
| 99 | L | 92.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.9 | 172.9 | -72.4 | 174 | 0 | 0 | 0 | 108.6 | I21 K22 F23 L24 L41 F69 A70 F82 L89 L94 | I21-L99 HydrophobicContact CG2-CB 4.35Å; I21-L99 HydrophobicContact CG2-CD1 4.29Å; I21-L99 HydrophobicContact CG2-CG 4.18Å; K22-L99 PolarHBondContact O-N 3.33Å; F23-L99 CarbonylContact C-O 3.53Å; F23-L99 VanDerWaalsContact CA-O 3.25Å; F23-L99 WeakPolarHBondContact CA-O 3.45Å; F23-L99 HydrophobicContact CD1-CB 3.91Å; F23-L99 HydrophobicContact CE1-CB 3.9Å; F23-L99 HydrophobicContact CE1-CD1 3.75Å; F23-L99 HydrophobicContact CE1-CG 4.39Å; F23-L99 HydrophobicContact CZ-CD1 4.32Å; L24-L99 PolarHBondContact N-O 3.41Å; L41-L99 HydrophobicContact CD2-CD1 4.24Å; F69-L99 HydrophobicContact CB-CB 4.42Å; F69-L99 HydrophobicContact CB-CD1 4.35Å; F69-L99 HydrophobicContact CB-CD2 4.22Å; F69-L99 HydrophobicContact CD1-CB 3.94Å; F69-L99 HydrophobicContact CD1-CD1 4.32Å; F69-L99 HydrophobicContact CD2-CD1 4.4Å; F69-L99 HydrophobicContact CG-CB 4.36Å; F69-L99 HydrophobicContact CG-CD1 4.12Å; A70-L99 CarbonylContact O-C 3.57Å; A70-L99 WeakPolarHBondContact O-CA 3.27Å; F82-L99 HydrophobicContact CD2-CD2 4.05Å; F82-L99 HydrophobicContact CE2-CD2 3.76Å; L89-L99 HydrophobicContact CD1-CD1 4.31Å; L94-L99 HydrophobicContact CD1-CD2 3.98Å; L94-L99 HydrophobicContact CD1-CG 4.25Å; L94-L99 HydrophobicContact CD2-CD2 3.76Å; L94-L99 HydrophobicContact CG-CD2 4.49Å |
| 100 | R | 94.2 | Very high | 78.2 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 134.9 | 171.3 | -166.9 | 172.4 | 106.7 | -153.2 | 2.3 | 108.8 | L24 F69 A70 E79 V102 | L24-R100 HydrophobicContact CB-CB 4.47Å; L24-R100 HydrophobicContact CB-CG 4.2Å; F69-R100 CarbonylContact C-O 3.54Å; F69-R100 WeakPolarHBondContact CA-O 3.47Å; A70-R100 PolarHBondContact N-O 3.3Å; A70-R100 PolarHBondContact O-N 2.68Å; E79-R100 IonicContact OE1-CZ 3.42Å; E79-R100 IonicContact OE1-NE 3.93Å; E79-R100 IonicContact OE1-NH1 2.7Å; E79-R100 PolarHBondContact OE1-NH1 3.24Å; E79-R100 IonicContact OE2-CZ 3.53Å; E79-R100 IonicContact OE2-NH1 3.29Å; E79-R100 PolarHBondContact OE2-NH1 3.47Å; E79-R100 IonicContact OE2-NH2 2.89Å; R100-V102 HydrophobicContact CB-CG1 4.48Å; R100-V102 HydrophobicContact CG-CG1 3.99Å |
| 101 | V | 93.4 | Very high | 77.6 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 121.9 | 171.8 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | L24 L25 P26 L48 W49 Y67 I68 F69 | L24-V101 PolarHBondContact O-N 3.21Å; L25-V101 HydrophobicContact CG-CG2 4.41Å; P26-V101 HydrophobicContact CG-CB 4.45Å; P26-V101 HydrophobicContact CG-CG1 4.12Å; L48-V101 HydrophobicContact CD2-CG2 3.65Å; W49-V101 HydrophobicContact CH2-CG1 3.74Å; W49-V101 HydrophobicContact CZ3-CG1 4.17Å; Y67-V101 HydrophobicContact CD1-CG1 3.81Å; Y67-V101 HydrophobicContact CG-CG1 3.78Å; I68-V101 WeakPolarHBondContact O-CA 3.32Å; F69-V101 HydrophobicContact CD1-CG2 4.02Å; F69-V101 HydrophobicContact CE1-CG2 3.76Å |
| 102 | V | 90.1 | Very high | 77.5 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.6 | -178.4 | -62 | 0 | 0 | 0 | 0 | 109.8 | Y67 I68 A70 E81 R100 | Y67-V102 CarbonylContact C-O 3.48Å; Y67-V102 VanDerWaalsContact CA-O 3.24Å; Y67-V102 WeakPolarHBondContact CA-O 3.42Å; I68-V102 HydrophobicContact CD1-CG2 4.03Å; I68-V102 HydrophobicContact CG1-CG2 3.46Å; I68-V102 VanDerWaalsContact CG1-CG2 3.46Å; I68-V102 PolarHBondContact N-O 3.46Å; I68-V102 PolarHBondContact O-N 3.47Å; A70-V102 HydrophobicContact CB-CG1 4.24Å; A70-V102 HydrophobicContact CB-CG2 4.05Å; E81-V102 HydrophobicContact CG-CG2 4.48Å; R100-V102 HydrophobicContact CB-CG1 4.48Å; R100-V102 HydrophobicContact CG-CG1 3.99Å |
| 103 | E | 86.5 | Confident | 77.3 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 139.1 | 177.1 | -72.4 | -173.2 | 177.7 | 0 | 0 | 110.3 | Q62 D66 Y67 A105 | Q62-E103 PolarHBondContact NE2-OE1 3.12Å; D66-E103 CarbonylContact O-C 3.58Å; D66-E103 WeakPolarHBondContact O-CA 3.43Å; Y67-E103 HydrophobicContact CD1-CB 4.46Å; Y67-E103 HydrophobicContact CD1-CG 3.86Å; Y67-E103 HydrophobicContact CE1-CB 4.44Å; Y67-E103 HydrophobicContact CE1-CG 3.4Å; Y67-E103 VanDerWaalsContact CE1-CG 3.4Å; E103-A105 PolarHBondContact O-N 3.17Å |
| 104 | T | 77.9 | Confident | 77.2 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 26% | 0.258 | 29% | 0.288 | S | S | . | . | trans | -58.8 | 129.4 | 173.7 | 43.4 | 0 | 0 | 0 | 0 | 109.2 | D66 I68 R106 | D66-T104 PolarHBondContact O-N 3.16Å; D66-T104 PolarHBondContact O-OG1 2.98Å; D66-T104 VanDerWaalsContact O-OG1 3.1Å; I68-T104 HydrophobicContact CG2-CG2 3.53Å; T104-R106 PolarHBondContact O-N 2.84Å | ||
| 105 | A | 65.7 | Low | 76.9 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 28% | 0.281 | 30% | 0.295 | S | S | . | . | trans | -58 | 115.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y83 E103 D107 | Y83-A105 WeakPolarHBondContact OH-CB 3.38Å; E103-A105 PolarHBondContact O-N 3.17Å; A105-D107 PolarHBondContact O-N 2.76Å | ||
| 106 | R | 63.4 | Low | 77 | Confident | 213 Ų | 213 | 59.8 Ų | 59.8 | 80% | 0.804 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -67.7 | -21.4 | 177.2 | -67 | -175.9 | 180 | 171.1 | 1.8 | 112.1 | T104 | T104-R106 PolarHBondContact O-N 2.84Š|
| 107 | D | 67.9 | Low | 76.9 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | trans | -91.2 | 105.4 | 178.6 | -171.6 | -1.9 | 0 | 0 | 0 | 111.5 | A105 T109 L110 | A105-D107 PolarHBondContact O-N 2.76Å; D107-T109 PolarHBondContact O-N 2.88Å; D107-T109 WeakPolarHBondContact OD1-CB 3.41Å; D107-T109 PolarHBondContact OD1-N 2.93Å; D107-T109 PolarHBondContact OD1-OG1 3.03Å; D107-L110 HydrophobicContact CB-CD1 4.14Å; D107-L110 HydrophobicContact CB-CG 4.06Å; D107-L110 PolarHBondContact O-N 2.88Å | ||
| 108 | T | 66.9 | Low | 76.4 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.5 | -21.5 | 173.9 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | K112 | T108-K112 WeakPolarHBondContact O-CG 3.17Å; T108-K112 PolarHBondContact O-N 3.21Å |
| 109 | T | 64.5 | Low | 76 | Confident | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | D107 L111 K112 I113 S330 | D107-T109 PolarHBondContact O-N 2.88Å; D107-T109 WeakPolarHBondContact OD1-CB 3.41Å; D107-T109 PolarHBondContact OD1-N 2.93Å; D107-T109 PolarHBondContact OD1-OG1 3.03Å; T109-L111 VanDerWaalsContact C-N 3.27Å; T109-L111 PolarHBondContact O-N 3.18Å; T109-K112 WeakPolarHBondContact O-CB 3Å; T109-K112 PolarHBondContact O-N 2.85Å; T109-I113 HydrophobicContact CG2-CD1 3.83Å; T109-I113 WeakPolarHBondContact O-CG1 3.44Å; T109-I113 PolarHBondContact O-N 3.48Å; T109-S330 WeakPolarHBondContact CB-OG 3.31Å; T109-S330 VanDerWaalsContact CG2-CB 3.48Å; T109-S330 WeakPolarHBondContact CG2-O 3.23Å; T109-S330 WeakPolarHBondContact CG2-OG 3.32Å; T109-S330 WeakPolarHBondContact OG1-CB 3.48Å; T109-S330 PolarHBondContact OG1-OG 2.84Å |
| 110 | L | 63.4 | Low | 75.7 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | -178.4 | -66.7 | -178.8 | 0 | 0 | 0 | 111 | D107 I113 S114 C382 | D107-L110 HydrophobicContact CB-CD1 4.14Å; D107-L110 HydrophobicContact CB-CG 4.06Å; D107-L110 PolarHBondContact O-N 2.88Å; L110-I113 PolarHBondContact O-N 3.22Å; L110-S114 WeakPolarHBondContact O-CB 3.04Å; L110-S114 PolarHBondContact O-N 3.47Å; L110-C382 HydrophobicContact CD1-CB 4.08Å; L110-C382 HydrophobicContact CD2-CB 3.74Å; L110-C382 WeakPolarHBondContact CD2-SG 3.43Å |
| 111 | L | 65.2 | Low | 75.3 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.9 | -171.7 | 152.9 | 0 | 0 | 0 | 111.7 | Y83 T109 I113 S114 N115 | Y83-L111 HydrophobicContact CD1-CD1 3.16Å; Y83-L111 HydrophobicContact CD1-CG 4Å; Y83-L111 HydrophobicContact CD2-CD1 4.17Å; Y83-L111 HydrophobicContact CD2-CG 4.12Å; Y83-L111 HydrophobicContact CE1-CD1 3.38Å; Y83-L111 HydrophobicContact CE1-CG 4.04Å; Y83-L111 HydrophobicContact CE2-CD1 4.37Å; Y83-L111 HydrophobicContact CE2-CG 4.21Å; Y83-L111 HydrophobicContact CG-CD1 3.58Å; Y83-L111 HydrophobicContact CG-CG 4.01Å; T109-L111 VanDerWaalsContact C-N 3.27Å; T109-L111 PolarHBondContact O-N 3.18Å; L111-I113 VanDerWaalsContact C-N 3.35Å; L111-I113 PolarHBondContact O-N 3.44Å; L111-S114 PolarHBondContact O-N 3.39Å; L111-N115 VanDerWaalsContact CD2-ND2 3.32Å; L111-N115 WeakPolarHBondContact CD2-ND2 3.32Å; L111-N115 WeakPolarHBondContact O-CB 3.42Å; L111-N115 VanDerWaalsContact O-CG 3.31Å; L111-N115 PolarHBondContact O-N 3.48Å |
| 112 | K | 69.2 | Low | 74.8 | Confident | 132 Ų | 132 | 52.3 Ų | 52.3 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 175.9 | -73.3 | 171.4 | -176.7 | 172.6 | 0 | 112 | T108 T109 Q116 | T108-K112 WeakPolarHBondContact O-CG 3.17Å; T108-K112 PolarHBondContact O-N 3.21Å; T109-K112 WeakPolarHBondContact O-CB 3Å; T109-K112 PolarHBondContact O-N 2.85Å; K112-Q116 VanDerWaalsContact O-CB 3.26Å; K112-Q116 WeakPolarHBondContact O-CB 3.19Å; K112-Q116 PolarHBondContact O-N 2.78Å |
| 113 | I | 72.3 | Confident | 74.8 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 178.2 | -66.6 | 161.4 | 0 | 0 | 0 | 110.8 | T109 L110 L111 Q116 N117 T331 | T109-I113 HydrophobicContact CG2-CD1 3.83Å; T109-I113 WeakPolarHBondContact O-CG1 3.44Å; T109-I113 PolarHBondContact O-N 3.48Å; L110-I113 PolarHBondContact O-N 3.22Å; L111-I113 VanDerWaalsContact C-N 3.35Å; L111-I113 PolarHBondContact O-N 3.44Å; I113-Q116 PolarHBondContact O-N 3.13Å; I113-N117 WeakPolarHBondContact O-CB 3.47Å; I113-N117 VanDerWaalsContact O-CG 3.25Å; I113-N117 PolarHBondContact O-N 3.43Å; I113-N117 PolarHBondContact O-ND2 2.92Å; I113-T331 HydrophobicContact CD1-CG2 3.38Å; I113-T331 HydrophobicContact CG1-CG2 4.48Å |
| 114 | S | 71.1 | Confident | 75 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -50.4 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | L110 L111 Q116 N117 A118 | L110-S114 WeakPolarHBondContact O-CB 3.04Å; L110-S114 PolarHBondContact O-N 3.47Å; L111-S114 PolarHBondContact O-N 3.39Å; S114-Q116 VanDerWaalsContact C-N 3.32Å; S114-Q116 PolarHBondContact O-N 2.98Å; S114-N117 PolarHBondContact O-N 3.07Å; S114-N117 VanDerWaalsContact O-N 3.15Å; S114-A118 PolarHBondContact O-N 3.47Å |
| 115 | N | 72.2 | Confident | 75.3 | Confident | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.134 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 177 | -71 | -13.9 | 0 | 0 | 0 | 112.1 | L111 A118 A119 I314 Y315 | L111-N115 VanDerWaalsContact CD2-ND2 3.32Å; L111-N115 WeakPolarHBondContact CD2-ND2 3.32Å; L111-N115 WeakPolarHBondContact O-CB 3.42Å; L111-N115 VanDerWaalsContact O-CG 3.31Å; L111-N115 PolarHBondContact O-N 3.48Å; N115-A118 PolarHBondContact O-N 3.26Å; N115-A119 WeakPolarHBondContact O-CB 3.4Å; N115-A119 PolarHBondContact O-N 2.93Å; N115-I314 WeakPolarHBondContact ND2-CG2 3.45Å; N115-Y315 HydrophobicContact CB-CE1 4.3Å; N115-Y315 VanDerWaalsContact ND2-CE1 3.33Å; N115-Y315 WeakPolarHBondContact ND2-CE1 3.15Å |
| 116 | Q | 81.4 | Confident | 76.1 | Confident | 75 Ų | 75 | 45.1 Ų | 45.1 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.3 | -169 | -178.2 | 24.9 | 0 | 0 | 111.4 | K112 I113 S114 A118 A119 I120 L945 | K112-Q116 VanDerWaalsContact O-CB 3.26Å; K112-Q116 WeakPolarHBondContact O-CB 3.19Å; K112-Q116 PolarHBondContact O-N 2.78Å; I113-Q116 PolarHBondContact O-N 3.13Å; S114-Q116 VanDerWaalsContact C-N 3.32Å; S114-Q116 PolarHBondContact O-N 2.98Å; Q116-A118 VanDerWaalsContact C-N 3.34Å; Q116-A118 PolarHBondContact O-N 3.25Å; Q116-A119 PolarHBondContact O-N 3.48Å; Q116-I120 HydrophobicContact CG-CD1 3.92Å; Q116-I120 WeakPolarHBondContact O-CB 3.48Å; Q116-I120 WeakPolarHBondContact O-CD1 3.37Å; Q116-I120 WeakPolarHBondContact O-CG1 3.49Å; Q116-I120 PolarHBondContact O-N 2.83Å; Q116-L945 HydrophobicContact CG-CD2 3.8Å |
| 117 | N | 81.2 | Confident | 76.8 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 177.8 | -73.7 | -23.2 | 0 | 0 | 0 | 112 | I113 S114 I120 S121 H128 R939 | I113-N117 WeakPolarHBondContact O-CB 3.47Å; I113-N117 VanDerWaalsContact O-CG 3.25Å; I113-N117 PolarHBondContact O-N 3.43Å; I113-N117 PolarHBondContact O-ND2 2.92Å; S114-N117 PolarHBondContact O-N 3.07Å; S114-N117 VanDerWaalsContact O-N 3.15Å; N117-I120 PolarHBondContact O-N 3.16Å; N117-S121 WeakPolarHBondContact O-CB 3.32Å; N117-S121 PolarHBondContact O-N 2.89Å; N117-S121 PolarHBondContact O-OG 2.61Å; N117-H128 HydrophobicContact CB-CB 4.44Å; N117-R939 PolarHBondContact OD1-NH1 3.33Å; N117-R939 PolarHBondContact OD1-NH2 2.66Å |
| 118 | A | 75.5 | Confident | 77.3 | Confident | 42 Ų | 42 | 33.3 Ų | 33.3 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | S114 N115 Q116 I120 S121 S122 | S114-A118 PolarHBondContact O-N 3.47Å; N115-A118 PolarHBondContact O-N 3.26Å; Q116-A118 VanDerWaalsContact C-N 3.34Å; Q116-A118 PolarHBondContact O-N 3.25Å; A118-I120 VanDerWaalsContact C-N 3.34Å; A118-I120 PolarHBondContact O-N 3.24Å; A118-S121 PolarHBondContact O-N 2.97Å; A118-S122 PolarHBondContact O-N 3.38Å |
| 119 | A | 80.9 | Confident | 77.8 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N115 Q116 S122 C123 L945 | N115-A119 WeakPolarHBondContact O-CB 3.4Å; N115-A119 PolarHBondContact O-N 2.93Å; Q116-A119 PolarHBondContact O-N 3.48Å; A119-S122 PolarHBondContact O-N 3.38Å; A119-C123 WeakPolarHBondContact O-CB 3.27Å; A119-C123 PolarHBondContact O-N 3.41Å; A119-C123 PolarHBondContact O-SG 3.06Å; A119-L945 HydrophobicContact CB-CD1 4.4Å; A119-L945 HydrophobicContact CB-CD2 4.33Å; A119-L945 HydrophobicContact CB-CG 4.29Å |
| 120 | I | 86.6 | Confident | 78.6 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 174 | -70.2 | 163.8 | 0 | 0 | 0 | 110.3 | Q116 N117 A118 S122 C123 T124 E935 C938 R939 L945 | Q116-I120 HydrophobicContact CG-CD1 3.92Å; Q116-I120 WeakPolarHBondContact O-CB 3.48Å; Q116-I120 WeakPolarHBondContact O-CD1 3.37Å; Q116-I120 WeakPolarHBondContact O-CG1 3.49Å; Q116-I120 PolarHBondContact O-N 2.83Å; N117-I120 PolarHBondContact O-N 3.16Å; A118-I120 VanDerWaalsContact C-N 3.34Å; A118-I120 PolarHBondContact O-N 3.24Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 3.2Å; I120-C123 CarbonylContact O-C 3.53Å; I120-C123 WeakPolarHBondContact O-CA 3.46Å; I120-C123 WeakPolarHBondContact O-CB 3.31Å; I120-C123 PolarHBondContact O-N 2.87Å; I120-T124 HydrophobicContact CG2-CG2 3.74Å; I120-T124 VanDerWaalsContact O-CG2 3.32Å; I120-T124 WeakPolarHBondContact O-CG2 3.34Å; I120-T124 PolarHBondContact O-N 3.07Å; I120-T124 PolarHBondContact O-OG1 3.11Å; I120-T124 VanDerWaalsContact O-OG1 3.08Å; I120-E935 HydrophobicContact CG2-CB 4.37Å; I120-E935 HydrophobicContact CG2-CG 4.13Å; I120-C938 HydrophobicContact CG1-CB 3.85Å; I120-R939 HydrophobicContact CD1-CG 3.49Å; I120-R939 VanDerWaalsContact CD1-CG 3.49Å; I120-L945 HydrophobicContact CG1-CD1 4.42Å; I120-L945 HydrophobicContact CG1-CD2 3.98Å |
| 121 | S | 85.3 | Confident | 79.5 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | -178.7 | -58 | 0 | 0 | 0 | 0 | 111.8 | N117 A118 C123 T124 G125 H128 | N117-S121 WeakPolarHBondContact O-CB 3.32Å; N117-S121 PolarHBondContact O-N 2.89Å; N117-S121 PolarHBondContact O-OG 2.61Å; A118-S121 PolarHBondContact O-N 2.97Å; S121-C123 VanDerWaalsContact C-N 3.34Å; S121-C123 PolarHBondContact O-N 3.15Å; S121-T124 PolarHBondContact O-OG1 3.45Å; S121-G125 WeakPolarHBondContact O-CA 3.26Å; S121-G125 PolarHBondContact O-N 2.68Å; S121-H128 PolarHBondContact OG-N 3.5Å; S121-H128 VanDerWaalsContact OG-N 3.16Å |
| 122 | S | 83.3 | Confident | 80.3 | Confident | 38 Ų | 38 | 31.3 Ų | 31.3 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 171.7 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | A118 A119 I120 R918 | A118-S122 PolarHBondContact O-N 3.38Å; A119-S122 PolarHBondContact O-N 3.38Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 3.2Å; S122-R918 PolarHBondContact O-NH1 3.45Å; S122-R918 PolarHBondContact O-NH2 3.22Å |
| 123 | C | 90.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.8 | -35.6 | -179.5 | -71.8 | 0 | 0 | 0 | 0 | 114.7 | A119 I120 S121 F914 R918 | A119-C123 WeakPolarHBondContact O-CB 3.27Å; A119-C123 PolarHBondContact O-N 3.41Å; A119-C123 PolarHBondContact O-SG 3.06Å; I120-C123 CarbonylContact O-C 3.53Å; I120-C123 WeakPolarHBondContact O-CA 3.46Å; I120-C123 WeakPolarHBondContact O-CB 3.31Å; I120-C123 PolarHBondContact O-N 2.87Å; S121-C123 VanDerWaalsContact C-N 3.34Å; S121-C123 PolarHBondContact O-N 3.15Å; C123-F914 HydrophobicContact CB-CE2 3.88Å; C123-F914 HydrophobicContact CB-CZ 4.08Å; C123-R918 PolarHBondContact O-NH1 3.16Å |
| 124 | T | 91.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -89 | -13.9 | -179.6 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | I120 S121 I126 L921 S931 L934 E935 | I120-T124 HydrophobicContact CG2-CG2 3.74Å; I120-T124 VanDerWaalsContact O-CG2 3.32Å; I120-T124 WeakPolarHBondContact O-CG2 3.34Å; I120-T124 PolarHBondContact O-N 3.07Å; I120-T124 PolarHBondContact O-OG1 3.11Å; I120-T124 VanDerWaalsContact O-OG1 3.08Å; S121-T124 PolarHBondContact O-OG1 3.45Å; T124-I126 PolarHBondContact O-N 3.26Å; T124-I126 VanDerWaalsContact O-N 3.09Å; T124-I126 PolarHBondContact OG1-N 3.4Å; T124-I126 PolarHBondContact OG1-O 3.47Å; T124-I126 VanDerWaalsContact OG1-O 3.11Å; T124-L921 WeakPolarHBondContact O-CD1 3.21Å; T124-S931 PolarHBondContact O-OG 2.78Å; T124-L934 HydrophobicContact CG2-CB 3.88Å; T124-E935 HydrophobicContact CG2-CB 4.25Å |
| 125 | G | 83 | Confident | 81.9 | Confident | 27 Ų | 27 | 29.9 Ų | 29.9 | 28% | 0.278 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 63.4 | 7.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S121 R927 | S121-G125 WeakPolarHBondContact O-CA 3.26Å; S121-G125 PolarHBondContact O-N 2.68Å; G125-R927 PolarHBondContact O-NH2 2.99Å |
| 126 | I | 83.2 | Confident | 82.4 | Confident | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -120.5 | 132.5 | 174.5 | -62.6 | -176.2 | 0 | 0 | 0 | 108.1 | T124 H128 D130 I131 R927 L928 S931 | T124-I126 PolarHBondContact O-N 3.26Å; T124-I126 VanDerWaalsContact O-N 3.09Å; T124-I126 PolarHBondContact OG1-N 3.4Å; T124-I126 PolarHBondContact OG1-O 3.47Å; T124-I126 VanDerWaalsContact OG1-O 3.11Å; I126-H128 PolarHBondContact O-N 3.25Å; I126-D130 HydrophobicContact CG2-CB 3.82Å; I126-I131 HydrophobicContact CG2-CD1 4.49Å; I126-I131 HydrophobicContact CG2-CG1 3.91Å; I126-R927 HydrophobicContact CD1-CG 3.86Å; I126-R927 HydrophobicContact CG1-CG 3.96Å; I126-L928 HydrophobicContact CD1-CD1 4.41Å; I126-S931 VanDerWaalsContact CD1-CB 3.46Å; I126-S931 WeakPolarHBondContact CD1-OG 3.23Å; I126-S931 VanDerWaalsContact CG1-OG 3.31Å; I126-S931 WeakPolarHBondContact CG1-OG 3.42Å |
| 127 | P | 77.6 | Confident | 82.3 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | trans | -51.5 | 136.3 | 170.3 | -27.9 | 37.1 | 0 | 0 | 0 | 112.5 | T76 D78 T129 D130 I131 | T76-P127 WeakPolarHBondContact O-CG 3.35Å; D78-P127 WeakPolarHBondContact OD2-CB 3.25Å; P127-T129 PolarHBondContact O-N 2.99Å; P127-D130 HydrophobicContact CB-CB 4.27Å; P127-D130 PolarHBondContact O-N 3.06Å; P127-D130 VanDerWaalsContact O-N 3.1Å; P127-I131 PolarHBondContact O-N 2.95Å | ||
| 128 | H | 78.6 | Confident | 82.3 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.9 | -37.5 | 176.4 | -177.3 | 59.3 | 0 | 0 | 0 | 112 | N117 S121 I126 D130 I131 I132 R145 E935 R939 | N117-H128 HydrophobicContact CB-CB 4.44Å; S121-H128 PolarHBondContact OG-N 3.5Å; S121-H128 VanDerWaalsContact OG-N 3.16Å; I126-H128 PolarHBondContact O-N 3.25Å; H128-D130 VanDerWaalsContact C-N 3.31Å; H128-D130 PolarHBondContact O-N 3.34Å; H128-I131 PolarHBondContact O-N 3.48Å; H128-I132 WeakPolarHBondContact O-CG1 3.49Å; H128-I132 PolarHBondContact O-N 3.18Å; H128-I132 VanDerWaalsContact O-N 3.09Å; H128-R145 PolarHBondContact CE1-NH2 3.22Å; H128-E935 IonicContact CE1-OE1 3.75Å; H128-E935 IonicContact ND1-OE1 2.83Å; H128-R939 PolarHBondContact CE1-NH2 2.98Å; H128-R939 PolarHBondContact ND1-NH2 3.41Å |
| 129 | T | 77.2 | Confident | 82.6 | Confident | 59 Ų | 59 | 41.8 Ų | 41.8 | 36% | 0.362 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 113 | D78 P127 I132 R133 | D78-T129 VanDerWaalsContact OD1-CG2 3.31Å; D78-T129 WeakPolarHBondContact OD1-CG2 3.48Å; D78-T129 PolarHBondContact OD1-OG1 3.43Å; D78-T129 PolarHBondContact OD2-OG1 2.9Å; P127-T129 PolarHBondContact O-N 2.99Å; T129-I132 PolarHBondContact O-N 2.98Å; T129-R133 WeakPolarHBondContact O-CB 3.37Å; T129-R133 PolarHBondContact O-N 3.39Å |
| 130 | D | 80.8 | Confident | 82.8 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.7 | -37.9 | 178 | -76.5 | -14.1 | 0 | 0 | 0 | 111.8 | I126 P127 H128 R133 A134 | I126-D130 HydrophobicContact CG2-CB 3.82Å; P127-D130 HydrophobicContact CB-CB 4.27Å; P127-D130 PolarHBondContact O-N 3.06Å; P127-D130 VanDerWaalsContact O-N 3.1Å; H128-D130 VanDerWaalsContact C-N 3.31Å; H128-D130 PolarHBondContact O-N 3.34Å; D130-R133 PolarHBondContact O-N 3.37Å; D130-R133 IonicContact OD1-CZ 3.47Å; D130-R133 IonicContact OD1-NH1 3.96Å; D130-R133 PolarHBondContact OD1-NH1 3.22Å; D130-R133 IonicContact OD1-NH2 3.45Å; D130-R133 PolarHBondContact OD1-NH2 3.39Å; D130-A134 WeakPolarHBondContact O-CB 3.11Å; D130-A134 PolarHBondContact O-N 3.02Å |
| 131 | I | 82.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 173.7 | -63 | 175.8 | 0 | 0 | 0 | 110 | I126 P127 H128 R133 A134 C135 L932 | I126-I131 HydrophobicContact CG2-CD1 4.49Å; I126-I131 HydrophobicContact CG2-CG1 3.91Å; P127-I131 PolarHBondContact O-N 2.95Å; H128-I131 PolarHBondContact O-N 3.48Å; I131-R133 PolarHBondContact O-N 3.38Å; I131-A134 PolarHBondContact O-N 3.21Å; I131-C135 PolarHBondContact O-N 3.13Å; I131-C135 PolarHBondContact O-SG 3.32Å; I131-L932 HydrophobicContact CG2-CD2 3.94Å |
| 132 | I | 82.1 | Confident | 83 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 176.8 | -62.3 | -57.5 | 0 | 0 | 0 | 111 | H128 T129 A134 C135 R136 I380 | H128-I132 WeakPolarHBondContact O-CG1 3.49Å; H128-I132 PolarHBondContact O-N 3.18Å; H128-I132 VanDerWaalsContact O-N 3.09Å; T129-I132 PolarHBondContact O-N 2.98Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 3.41Å; I132-C135 WeakPolarHBondContact O-CB 3.42Å; I132-C135 PolarHBondContact O-N 3.25Å; I132-R136 WeakPolarHBondContact O-CG 3.28Å; I132-R136 PolarHBondContact O-N 2.8Å; I132-I380 HydrophobicContact CG2-CD1 4.26Å |
| 133 | R | 80.9 | Confident | 83.1 | Confident | 144 Ų | 144 | 44.6 Ų | 44.6 | 54% | 0.543 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 174.9 | -168 | -174.6 | -58.2 | 126 | 10.6 | 111 | T129 D130 I131 C135 R136 T137 | T129-R133 WeakPolarHBondContact O-CB 3.37Å; T129-R133 PolarHBondContact O-N 3.39Å; D130-R133 PolarHBondContact O-N 3.37Å; D130-R133 IonicContact OD1-CZ 3.47Å; D130-R133 IonicContact OD1-NH1 3.96Å; D130-R133 PolarHBondContact OD1-NH1 3.22Å; D130-R133 IonicContact OD1-NH2 3.45Å; D130-R133 PolarHBondContact OD1-NH2 3.39Å; I131-R133 PolarHBondContact O-N 3.38Å; R133-C135 VanDerWaalsContact C-N 3.34Å; R133-C135 PolarHBondContact O-N 2.83Å; R133-R136 PolarHBondContact O-N 3.1Å; R133-T137 PolarHBondContact O-N 3.11Å; R133-T137 PolarHBondContact O-OG1 2.93Å |
| 134 | A | 82.4 | Confident | 83.1 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D130 I131 I132 R136 T137 N138 V141 L928 | D130-A134 WeakPolarHBondContact O-CB 3.11Å; D130-A134 PolarHBondContact O-N 3.02Å; I131-A134 PolarHBondContact O-N 3.21Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 3.41Å; A134-R136 VanDerWaalsContact C-N 3.33Å; A134-R136 PolarHBondContact O-N 2.99Å; A134-T137 PolarHBondContact O-N 2.9Å; A134-T137 PolarHBondContact O-OG1 3.02Å; A134-N138 WeakPolarHBondContact O-CB 3.48Å; A134-N138 PolarHBondContact O-N 3.38Å; A134-V141 HydrophobicContact CB-CG1 3.99Å; A134-L928 HydrophobicContact CB-CD2 4.4Å |
| 135 | C | 83.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 10% | 0.101 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 174.4 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | I131 I132 R133 T137 K142 R145 | I131-C135 PolarHBondContact O-N 3.13Å; I131-C135 PolarHBondContact O-SG 3.32Å; I132-C135 WeakPolarHBondContact O-CB 3.42Å; I132-C135 PolarHBondContact O-N 3.25Å; R133-C135 VanDerWaalsContact C-N 3.34Å; R133-C135 PolarHBondContact O-N 2.83Å; C135-T137 VanDerWaalsContact C-N 3.33Å; C135-K142 HydrophobicContact CB-CB 4.1Å; C135-K142 HydrophobicContact CB-CG 4.49Å; C135-R145 WeakPolarHBondContact SG-CD 3.36Å |
| 136 | R | 81.6 | Confident | 83.5 | Confident | 174 Ų | 174 | 46.5 Ų | 46.5 | 66% | 0.657 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -70.3 | -30.6 | 178.8 | -68.8 | 174.4 | -177.7 | 169.2 | -1.3 | 112.6 | I132 R133 A134 | I132-R136 WeakPolarHBondContact O-CG 3.28Å; I132-R136 PolarHBondContact O-N 2.8Å; R133-R136 PolarHBondContact O-N 3.1Å; A134-R136 VanDerWaalsContact C-N 3.33Å; A134-R136 PolarHBondContact O-N 2.99Å |
| 137 | T | 79.8 | Confident | 83.7 | Confident | 112 Ų | 112 | 46.4 Ų | 46.4 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -97.4 | -20.5 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | R133 A134 C135 | R133-T137 PolarHBondContact O-N 3.11Å; R133-T137 PolarHBondContact O-OG1 2.93Å; A134-T137 PolarHBondContact O-N 2.9Å; A134-T137 PolarHBondContact O-OG1 3.02Å; C135-T137 VanDerWaalsContact C-N 3.33Å |
| 138 | N | 81 | Confident | 84.4 | Confident | 42 Ų | 42 | 46.1 Ų | 46.1 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | trans | -131.2 | 113.4 | -177.5 | -172.5 | -35.4 | 0 | 0 | 0 | 111.8 | A134 E140 V141 K142 L621 | A134-N138 WeakPolarHBondContact O-CB 3.48Å; A134-N138 PolarHBondContact O-N 3.38Å; N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.46Å; N138-E140 VanDerWaalsContact OD1-CB 3.31Å; N138-E140 WeakPolarHBondContact OD1-CB 3.36Å; N138-E140 PolarHBondContact OD1-N 3.05Å; N138-V141 HydrophobicContact CB-CB 4.06Å; N138-V141 HydrophobicContact CB-CG2 3.75Å; N138-V141 WeakPolarHBondContact O-CB 3.43Å; N138-V141 PolarHBondContact O-N 3.11Å; N138-V141 PolarHBondContact OD1-N 2.94Å; N138-K142 PolarHBondContact O-N 3.3Å; N138-K142 VanDerWaalsContact O-N 3.08Å; N138-L621 WeakPolarHBondContact ND2-CD2 3.33Å | ||
| 139 | P | 82.3 | Confident | 85 | Confident | 91 Ų | 91 | 45.8 Ų | 45.8 | 59% | 0.591 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.9 | -29.9 | -178.3 | 27.3 | -34.5 | 0 | 0 | 0 | 113.4 | V141 K142 W143 | P139-V141 VanDerWaalsContact C-N 3.34Å; P139-K142 PolarHBondContact O-N 3.33Å; P139-W143 VanDerWaalsContact O-CB 3.3Å; P139-W143 WeakPolarHBondContact O-CB 3.47Å; P139-W143 PolarHBondContact O-N 3.38Å |
| 140 | E | 85 | Confident | 85.5 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 174 | -172.4 | -167.3 | 165.2 | 0 | 0 | 110.7 | N138 W143 A144 Y889 L890 | N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.46Å; N138-E140 VanDerWaalsContact OD1-CB 3.31Å; N138-E140 WeakPolarHBondContact OD1-CB 3.36Å; N138-E140 PolarHBondContact OD1-N 3.05Å; E140-W143 PolarHBondContact O-N 3.33Å; E140-A144 VanDerWaalsContact O-CB 3.27Å; E140-A144 WeakPolarHBondContact O-CB 3.17Å; E140-A144 PolarHBondContact O-N 2.8Å; E140-Y889 WeakPolarHBondContact OE1-CA 3.29Å; E140-L890 HydrophobicContact CG-CD1 4.35Å; E140-L890 PolarHBondContact OE1-N 3.38Å |
| 141 | V | 87.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | A134 N138 P139 W143 R145 L621 L890 L928 L932 | A134-V141 HydrophobicContact CB-CG1 3.99Å; N138-V141 HydrophobicContact CB-CB 4.06Å; N138-V141 HydrophobicContact CB-CG2 3.75Å; N138-V141 WeakPolarHBondContact O-CB 3.43Å; N138-V141 PolarHBondContact O-N 3.11Å; N138-V141 PolarHBondContact OD1-N 2.94Å; P139-V141 VanDerWaalsContact C-N 3.34Å; V141-W143 PolarHBondContact O-N 3.41Å; V141-R145 VanDerWaalsContact O-CB 3.23Å; V141-R145 WeakPolarHBondContact O-CB 3.27Å; V141-R145 PolarHBondContact O-N 2.72Å; V141-L621 HydrophobicContact CG2-CD2 3.91Å; V141-L890 HydrophobicContact CB-CD1 4.39Å; V141-L890 HydrophobicContact CG2-CD1 3.73Å; V141-L928 HydrophobicContact CG1-CD2 4.39Å; V141-L928 HydrophobicContact CG2-CD2 3.82Å; V141-L932 HydrophobicContact CG1-CD1 4.28Å |
| 142 | K | 87.2 | Confident | 86.3 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 19% | 0.191 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -49.8 | 175.4 | -175 | 171.5 | 174.3 | 169.1 | 0 | 110.8 | C135 N138 P139 R145 L146 D376 | C135-K142 HydrophobicContact CB-CB 4.1Å; C135-K142 HydrophobicContact CB-CG 4.49Å; N138-K142 PolarHBondContact O-N 3.3Å; N138-K142 VanDerWaalsContact O-N 3.08Å; P139-K142 PolarHBondContact O-N 3.33Å; K142-R145 PolarHBondContact O-N 2.87Å; K142-L146 HydrophobicContact CG-CD1 4.15Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.45Å; K142-L146 PolarHBondContact O-N 3.39Å; K142-D376 IonicContact NZ-OD2 3.17Å; K142-D376 PolarHBondContact NZ-OD2 3.29Å |
| 143 | W | 87 | Confident | 86.5 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -53.7 | 179.7 | -179 | -99.5 | 0 | 0 | 0 | 112.2 | P139 E140 V141 R145 L146 R147 T368 H588 | P139-W143 VanDerWaalsContact O-CB 3.3Å; P139-W143 WeakPolarHBondContact O-CB 3.47Å; P139-W143 PolarHBondContact O-N 3.38Å; E140-W143 PolarHBondContact O-N 3.33Å; V141-W143 PolarHBondContact O-N 3.41Å; W143-R145 VanDerWaalsContact C-N 3.32Å; W143-R145 PolarHBondContact O-N 2.86Å; W143-L146 PolarHBondContact O-N 3.49Å; W143-L146 VanDerWaalsContact O-N 3.17Å; W143-R147 HydrophobicContact CD2-CG 4.34Å; W143-R147 HydrophobicContact CG-CG 4.47Å; W143-R147 HydrophobicContact CZ2-CG 4.3Å; W143-R147 VanDerWaalsContact O-CG 3.28Å; W143-R147 WeakPolarHBondContact O-CG 3.33Å; W143-R147 PolarHBondContact O-N 3.19Å; W143-T368 HydrophobicContact CH2-CG2 3.98Å; W143-T368 HydrophobicContact CZ3-CG2 4.05Å; W143-H588 AromaticContact CD1-CD2 3.92Å; W143-H588 AromaticContact CG-CD2 3.86Å |
| 144 | A | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E140 L146 R147 L148 L890 D891 | E140-A144 VanDerWaalsContact O-CB 3.27Å; E140-A144 WeakPolarHBondContact O-CB 3.17Å; E140-A144 PolarHBondContact O-N 2.8Å; A144-L146 PolarHBondContact O-N 3.45Å; A144-R147 PolarHBondContact O-N 2.91Å; A144-L148 VanDerWaalsContact O-CG 3.26Å; A144-L148 WeakPolarHBondContact O-CG 3.27Å; A144-L148 PolarHBondContact O-N 3.37Å; A144-L890 HydrophobicContact CB-CB 3.45Å; A144-L890 VanDerWaalsContact CB-CB 3.45Å; A144-L890 HydrophobicContact CB-CD1 4.34Å; A144-D891 HydrophobicContact CB-CB 4.06Å |
| 145 | R | 91.9 | Very high | 87.1 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | 175.6 | -172.1 | 175.5 | 176.7 | -103.9 | -7.6 | 111.3 | H128 C135 V141 K142 W143 R147 L148 L149 L932 E935 | H128-R145 PolarHBondContact CE1-NH2 3.22Å; C135-R145 WeakPolarHBondContact SG-CD 3.36Å; V141-R145 VanDerWaalsContact O-CB 3.23Å; V141-R145 WeakPolarHBondContact O-CB 3.27Å; V141-R145 PolarHBondContact O-N 2.72Å; K142-R145 PolarHBondContact O-N 2.87Å; W143-R145 VanDerWaalsContact C-N 3.32Å; W143-R145 PolarHBondContact O-N 2.86Å; R145-R147 VanDerWaalsContact C-N 3.32Å; R145-R147 PolarHBondContact O-N 3.02Å; R145-L148 PolarHBondContact O-N 2.86Å; R145-L149 HydrophobicContact CG-CD1 3.93Å; R145-L149 HydrophobicContact CG-CG 4.3Å; R145-L149 WeakPolarHBondContact O-CB 3.19Å; R145-L149 WeakPolarHBondContact O-CG 3.32Å; R145-L149 PolarHBondContact O-N 2.96Å; R145-L932 HydrophobicContact CB-CD2 4.02Å; R145-L932 HydrophobicContact CG-CD2 4.14Å; R145-E935 IonicContact CZ-OE1 3.36Å; R145-E935 IonicContact CZ-OE2 3.15Å; R145-E935 IonicContact NE-OE1 3.08Å; R145-E935 PolarHBondContact NE-OE1 3.48Å; R145-E935 IonicContact NE-OE2 2.69Å; R145-E935 PolarHBondContact NE-OE2 3.01Å; R145-E935 IonicContact NH2-OE1 3.62Å; R145-E935 PolarHBondContact NH2-OE1 3Å; R145-E935 IonicContact NH2-OE2 2.73Å |
| 146 | L | 89.7 | Confident | 87.2 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 23% | 0.225 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 178.4 | -71.8 | 170 | 0 | 0 | 0 | 112.3 | K142 W143 A144 L149 R150 I375 | K142-L146 HydrophobicContact CG-CD1 4.15Å; K142-L146 VanDerWaalsContact O-CG 3.29Å; K142-L146 WeakPolarHBondContact O-CG 3.45Å; K142-L146 PolarHBondContact O-N 3.39Å; W143-L146 PolarHBondContact O-N 3.49Å; W143-L146 VanDerWaalsContact O-N 3.17Å; A144-L146 PolarHBondContact O-N 3.45Å; L146-L149 PolarHBondContact O-N 3.5Å; L146-R150 PolarHBondContact O-N 3.08Å; L146-I375 HydrophobicContact CD2-CD1 3.98Å; L146-I375 HydrophobicContact CD2-CG2 3.85Å |
| 147 | R | 88.7 | Confident | 87.4 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | -178.8 | -64.7 | -72.6 | -101.8 | -173.3 | -6.7 | 112.4 | W143 A144 R145 R150 V151 D364 D891 | W143-R147 HydrophobicContact CD2-CG 4.34Å; W143-R147 HydrophobicContact CG-CG 4.47Å; W143-R147 HydrophobicContact CZ2-CG 4.3Å; W143-R147 VanDerWaalsContact O-CG 3.28Å; W143-R147 WeakPolarHBondContact O-CG 3.33Å; W143-R147 PolarHBondContact O-N 3.19Å; A144-R147 PolarHBondContact O-N 2.91Å; R145-R147 VanDerWaalsContact C-N 3.32Å; R145-R147 PolarHBondContact O-N 3.02Å; R147-R150 WeakPolarHBondContact O-CB 3.49Å; R147-R150 PolarHBondContact O-N 3.35Å; R147-V151 PolarHBondContact O-N 2.86Å; R147-D364 IonicContact CZ-OD1 2.87Å; R147-D364 IonicContact CZ-OD2 3.4Å; R147-D364 IonicContact NH1-OD1 3.66Å; R147-D364 PolarHBondContact NH1-OD1 3.42Å; R147-D364 IonicContact NH1-OD2 2.97Å; R147-D364 PolarHBondContact NH1-OD2 2.89Å; R147-D364 IonicContact NH2-OD2 3.92Å; R147-D364 PolarHBondContact NH2-OD2 3.44Å; R147-D891 WeakPolarHBondContact CG-OD2 3.23Å; R147-D891 IonicContact NE-OD2 3.44Å; R147-D891 PolarHBondContact NE-OD2 3.26Å |
| 148 | L | 91.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.8 | -38.7 | 177.9 | -61.2 | -178.8 | 0 | 0 | 0 | 111.5 | A144 R145 R150 V151 A152 T895 R896 L899 L932 I933 A936 | A144-L148 VanDerWaalsContact O-CG 3.26Å; A144-L148 WeakPolarHBondContact O-CG 3.27Å; A144-L148 PolarHBondContact O-N 3.37Å; R145-L148 PolarHBondContact O-N 2.86Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.33Å; L148-V151 PolarHBondContact O-N 2.92Å; L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.1Å; L148-T895 HydrophobicContact CD1-CG2 4.02Å; L148-T895 HydrophobicContact CD2-CG2 3.54Å; L148-T895 HydrophobicContact CG-CG2 4.43Å; L148-R896 HydrophobicContact CD2-CG 4.23Å; L148-L899 HydrophobicContact CB-CD2 4.09Å; L148-L899 HydrophobicContact CD2-CD2 4.05Å; L148-L932 HydrophobicContact CD1-CB 4.38Å; L148-I933 HydrophobicContact CD1-CG1 4.28Å; L148-A936 HydrophobicContact CB-CB 3.67Å |
| 149 | L | 90.6 | Very high | 87.9 | Confident | 24 Ų | 24 | 30.9 Ų | 30.9 | 13% | 0.126 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -31.5 | 172.9 | -67.6 | -177.7 | 0 | 0 | 0 | 112.5 | R145 L146 A152 N153 A936 R939 | R145-L149 HydrophobicContact CG-CD1 3.93Å; R145-L149 HydrophobicContact CG-CG 4.3Å; R145-L149 WeakPolarHBondContact O-CB 3.19Å; R145-L149 WeakPolarHBondContact O-CG 3.32Å; R145-L149 PolarHBondContact O-N 2.96Å; L146-L149 PolarHBondContact O-N 3.5Å; L149-A152 PolarHBondContact O-N 3.03Å; L149-N153 VanDerWaalsContact O-CB 3.28Å; L149-N153 WeakPolarHBondContact O-CB 3.42Å; L149-N153 PolarHBondContact O-N 3.13Å; L149-N153 PolarHBondContact O-ND2 3.32Å; L149-A936 HydrophobicContact CD2-CB 4.36Å; L149-R939 HydrophobicContact CD2-CB 4.43Å; L149-R939 VanDerWaalsContact CD2-CD 3.4Å; L149-R939 HydrophobicContact CD2-CG 4.49Å |
| 150 | R | 88.6 | Confident | 87.9 | Confident | 95 Ų | 95 | 28.7 Ų | 28.7 | 36% | 0.358 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 173 | -170.7 | 174.5 | -178.8 | 168 | 3 | 111.3 | L146 R147 L148 N153 M154 F356 D364 | L146-R150 PolarHBondContact O-N 3.08Å; R147-R150 WeakPolarHBondContact O-CB 3.49Å; R147-R150 PolarHBondContact O-N 3.35Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 3.33Å; R150-N153 PolarHBondContact O-N 3.39Å; R150-M154 HydrophobicContact CG-SD 4.32Å; R150-M154 WeakPolarHBondContact O-CB 3.41Å; R150-M154 WeakPolarHBondContact O-CG 3.46Å; R150-M154 PolarHBondContact O-N 3.47Å; R150-F356 HydrophobicContact CG-CZ 4.34Å; R150-D364 IonicContact NH1-OD1 2.87Å |
| 151 | V | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 174.7 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | R147 L148 N153 M154 H155 L353 F356 L357 L899 L903 | R147-V151 PolarHBondContact O-N 2.86Å; L148-V151 PolarHBondContact O-N 2.92Å; V151-N153 PolarHBondContact O-N 3.18Å; V151-M154 PolarHBondContact O-N 3.45Å; V151-H155 PolarHBondContact O-N 2.82Å; V151-L353 HydrophobicContact CG1-CD1 4.38Å; V151-F356 HydrophobicContact CG2-CE1 4.02Å; V151-L357 HydrophobicContact CG2-CD2 3.83Å; V151-L899 HydrophobicContact CB-CD2 4.1Å; V151-L899 HydrophobicContact CG1-CD2 4.13Å; V151-L899 HydrophobicContact CG1-CG 4.19Å; V151-L903 HydrophobicContact CG1-CD1 4.42Å |
| 152 | A | 90.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L148 L149 H155 T156 L903 A936 | L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.1Å; L149-A152 PolarHBondContact O-N 3.03Å; A152-H155 PolarHBondContact O-N 3.43Å; A152-T156 WeakPolarHBondContact O-CB 3.17Å; A152-T156 PolarHBondContact O-N 3.14Å; A152-T156 PolarHBondContact O-OG1 3.39Å; A152-T156 VanDerWaalsContact O-OG1 3.05Å; A152-L903 HydrophobicContact CB-CD1 4.34Å; A152-A936 WeakPolarHBondContact CB-O 3.37Å |
| 153 | N | 86.2 | Confident | 87.6 | Confident | 62 Ų | 62 | 34.8 Ų | 34.8 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67 | -40.6 | -179.1 | -73.4 | -23.3 | 0 | 0 | 0 | 112.5 | L149 R150 V151 T156 K157 | L149-N153 VanDerWaalsContact O-CB 3.28Å; L149-N153 WeakPolarHBondContact O-CB 3.42Å; L149-N153 PolarHBondContact O-N 3.13Å; L149-N153 PolarHBondContact O-ND2 3.32Å; R150-N153 PolarHBondContact O-N 3.39Å; V151-N153 PolarHBondContact O-N 3.18Å; N153-T156 PolarHBondContact O-N 3.47Å; N153-K157 WeakPolarHBondContact O-CB 3.25Å; N153-K157 WeakPolarHBondContact O-CG 3.29Å; N153-K157 PolarHBondContact O-N 3.23Å |
| 154 | M | 86.1 | Confident | 87.2 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 20% | 0.202 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.2 | -73.7 | -179.3 | 71.4 | 0 | 0 | 111.2 | R150 V151 K157 A158 L353 F356 | R150-M154 HydrophobicContact CG-SD 4.32Å; R150-M154 WeakPolarHBondContact O-CB 3.41Å; R150-M154 WeakPolarHBondContact O-CG 3.46Å; R150-M154 PolarHBondContact O-N 3.47Å; V151-M154 PolarHBondContact O-N 3.45Å; M154-K157 PolarHBondContact O-N 3.38Å; M154-A158 PolarHBondContact O-N 3.15Å; M154-L353 HydrophobicContact CB-CD1 3.85Å; M154-L353 HydrophobicContact CB-CD2 4.31Å; M154-L353 HydrophobicContact CE-CB 3.97Å; M154-L353 HydrophobicContact CE-CD1 3.92Å; M154-L353 HydrophobicContact CG-CD1 4.42Å; M154-L353 HydrophobicContact SD-CD1 3.77Å; M154-F356 HydrophobicContact SD-CD1 4.34Å; M154-F356 HydrophobicContact SD-CG 4.45Å |
| 155 | H | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -50.2 | 173 | 172.3 | -97.7 | 0 | 0 | 0 | 111.9 | V151 A152 K157 A158 L159 Y170 Y350 L903 G940 | V151-H155 PolarHBondContact O-N 2.82Å; A152-H155 PolarHBondContact O-N 3.43Å; H155-K157 VanDerWaalsContact C-N 3.29Å; H155-K157 PolarHBondContact O-N 3.13Å; H155-A158 PolarHBondContact O-N 3.45Å; H155-A158 VanDerWaalsContact O-N 3.08Å; H155-L159 WeakPolarHBondContact O-CB 3.41Å; H155-L159 PolarHBondContact O-N 3.09Å; H155-Y170 AromaticContact CE1-CE2 3.58Å; H155-Y170 AromaticContact CE1-CZ 3.78Å; H155-Y170 AromaticContact NE2-CE2 3.58Å; H155-Y350 PolarHBondContact CD2-OH 2.97Å; H155-L903 HydrophobicContact CB-CB 4.26Å; H155-L903 HydrophobicContact CB-CD1 4.04Å; H155-L903 PolarHBondContact NE2-O 3.2Å; H155-L903 VanDerWaalsContact NE2-O 3.17Å; H155-G940 PolarHBondContact CE1-O 3.28Å; H155-G940 PolarHBondContact ND1-O 3.27Å |
| 156 | T | 86 | Confident | 86.6 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -41 | 179.9 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | A152 N153 L159 N160 G940 | A152-T156 WeakPolarHBondContact O-CB 3.17Å; A152-T156 PolarHBondContact O-N 3.14Å; A152-T156 PolarHBondContact O-OG1 3.39Å; A152-T156 VanDerWaalsContact O-OG1 3.05Å; N153-T156 PolarHBondContact O-N 3.47Å; T156-L159 PolarHBondContact O-N 3.43Å; T156-N160 WeakPolarHBondContact O-CB 3.14Å; T156-N160 PolarHBondContact O-N 2.95Å; T156-N160 PolarHBondContact O-ND2 2.85Å; T156-G940 PolarHBondContact OG1-O 3.14Å |
| 157 | K | 84.1 | Confident | 86.3 | Confident | 101 Ų | 101 | 36.5 Ų | 36.5 | 44% | 0.439 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 173.7 | -75 | 179.1 | 180 | -174.2 | 0 | 111.4 | N153 M154 H155 L159 N160 Q161 | N153-K157 WeakPolarHBondContact O-CB 3.25Å; N153-K157 WeakPolarHBondContact O-CG 3.29Å; N153-K157 PolarHBondContact O-N 3.23Å; M154-K157 PolarHBondContact O-N 3.38Å; H155-K157 VanDerWaalsContact C-N 3.29Å; H155-K157 PolarHBondContact O-N 3.13Å; K157-L159 PolarHBondContact O-N 2.9Å; K157-N160 PolarHBondContact O-N 2.93Å; K157-Q161 WeakPolarHBondContact O-CG 3.4Å; K157-Q161 PolarHBondContact O-N 3.16Å; K157-Q161 VanDerWaalsContact O-N 3.15Å |
| 158 | A | 87 | Confident | 86.3 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M154 H155 Q161 L349 Y350 | M154-A158 PolarHBondContact O-N 3.15Å; H155-A158 PolarHBondContact O-N 3.45Å; H155-A158 VanDerWaalsContact O-N 3.08Å; A158-Q161 PolarHBondContact O-N 2.92Å; A158-L349 HydrophobicContact CB-CB 4.1Å; A158-L349 HydrophobicContact CB-CD1 4.12Å; A158-Y350 HydrophobicContact CB-CD2 4.16Å; A158-Y350 HydrophobicContact CB-CE1 4.45Å; A158-Y350 HydrophobicContact CB-CE2 3.69Å |
| 159 | L | 85.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 176.3 | -179.5 | 61.5 | 0 | 0 | 0 | 111.4 | H155 T156 K157 Q161 T162 L167 Y170 | H155-L159 WeakPolarHBondContact O-CB 3.41Å; H155-L159 PolarHBondContact O-N 3.09Å; T156-L159 PolarHBondContact O-N 3.43Å; K157-L159 PolarHBondContact O-N 2.9Å; L159-Q161 VanDerWaalsContact C-N 3.26Å; L159-Q161 PolarHBondContact O-N 3.25Å; L159-T162 WeakPolarHBondContact O-CB 3.41Å; L159-T162 PolarHBondContact O-N 2.88Å; L159-T162 PolarHBondContact O-OG1 3.22Å; L159-L167 HydrophobicContact CD2-CD1 4.14Å; L159-L167 HydrophobicContact CG-CD1 4.48Å; L159-Y170 HydrophobicContact CD1-CD1 4.39Å; L159-Y170 HydrophobicContact CD1-CD2 3.87Å; L159-Y170 HydrophobicContact CD1-CG 3.78Å; L159-Y170 HydrophobicContact CD2-CD1 3.98Å; L159-Y170 HydrophobicContact CD2-CD2 4.28Å; L159-Y170 HydrophobicContact CD2-CE1 4.03Å; L159-Y170 HydrophobicContact CD2-CE2 4.25Å; L159-Y170 HydrophobicContact CD2-CG 4.14Å |
| 160 | N | 81.6 | Confident | 86.2 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -33.1 | -179.8 | -72.7 | -23.2 | 0 | 0 | 0 | 112.7 | T156 K157 T162 G163 I326 | T156-N160 WeakPolarHBondContact O-CB 3.14Å; T156-N160 PolarHBondContact O-N 2.95Å; T156-N160 PolarHBondContact O-ND2 2.85Å; K157-N160 PolarHBondContact O-N 2.93Å; N160-T162 PolarHBondContact O-N 3.25Å; N160-G163 PolarHBondContact O-N 3.13Å; N160-I326 HydrophobicContact CB-CG2 3.76Å |
| 161 | Q | 86 | Confident | 86.3 | Confident | 120 Ų | 120 | 37.3 Ų | 37.3 | 56% | 0.561 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -66 | -20.7 | 175.6 | -73.1 | -176.7 | -1.3 | 0 | 0 | 113.6 | K157 A158 L159 G163 L349 | K157-Q161 WeakPolarHBondContact O-CG 3.4Å; K157-Q161 PolarHBondContact O-N 3.16Å; K157-Q161 VanDerWaalsContact O-N 3.15Å; A158-Q161 PolarHBondContact O-N 2.92Å; L159-Q161 VanDerWaalsContact C-N 3.26Å; L159-Q161 PolarHBondContact O-N 3.25Å; Q161-G163 PolarHBondContact O-N 3.1Å; Q161-L349 VanDerWaalsContact CD-CD1 3.42Å |
| 162 | T | 84.7 | Confident | 86.4 | Confident | 54 Ų | 54 | 37.8 Ų | 37.8 | 33% | 0.331 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.4 | 176.2 | 71 | 0 | 0 | 0 | 0 | 113.7 | L159 N160 G166 | L159-T162 WeakPolarHBondContact O-CB 3.41Å; L159-T162 PolarHBondContact O-N 2.88Å; L159-T162 PolarHBondContact O-OG1 3.22Å; N160-T162 PolarHBondContact O-N 3.25Å; T162-G166 PolarHBondContact O-N 3.08Å; T162-G166 VanDerWaalsContact OG1-CA 3.25Å; T162-G166 WeakPolarHBondContact OG1-CA 3.47Å |
| 163 | G | 83.2 | Confident | 86.5 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | 67.3 | -163.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N160 Q161 D165 G166 L167 | N160-G163 PolarHBondContact O-N 3.13Å; Q161-G163 PolarHBondContact O-N 3.1Å; G163-D165 PolarHBondContact O-N 3.45Å; G163-G166 PolarHBondContact O-N 3.32Å; G163-L167 PolarHBondContact O-N 3.31Å; G163-L167 VanDerWaalsContact O-N 3.13Å |
| 164 | S | 79.6 | Confident | 86.9 | Confident | 42 Ų | 42 | 36.6 Ų | 36.6 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -37.4 | -176.7 | 55 | 0 | 0 | 0 | 0 | 113.2 | L167 I168 | S164-L167 PolarHBondContact O-N 3.14Å; S164-I168 WeakPolarHBondContact O-CD1 3.25Å; S164-I168 VanDerWaalsContact O-CG1 3.24Å; S164-I168 WeakPolarHBondContact O-CG1 3.49Å; S164-I168 PolarHBondContact O-N 3.26Å |
| 165 | D | 83.1 | Confident | 87.2 | Confident | 78 Ų | 78 | 36.3 Ų | 36.3 | 42% | 0.417 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 178.8 | -78.5 | -43.8 | 0 | 0 | 0 | 112.1 | G163 I168 R169 K299 | G163-D165 PolarHBondContact O-N 3.45Å; D165-I168 PolarHBondContact O-N 2.79Å; D165-R169 PolarHBondContact O-N 3.18Å; D165-K299 VanDerWaalsContact CG-CE 3.48Å; D165-K299 WeakPolarHBondContact OD1-CE 3.47Å; D165-K299 IonicContact OD1-NZ 3.95Å; D165-K299 PolarHBondContact OD1-NZ 3.1Å; D165-K299 IonicContact OD2-NZ 2.72Å; D165-K299 PolarHBondContact OD2-NZ 3.5Å |
| 166 | G | 85.7 | Confident | 87.2 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.2 | -32 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T162 G163 R169 Y170 | T162-G166 PolarHBondContact O-N 3.08Å; T162-G166 VanDerWaalsContact OG1-CA 3.25Å; T162-G166 WeakPolarHBondContact OG1-CA 3.47Å; G163-G166 PolarHBondContact O-N 3.32Å; G166-R169 WeakPolarHBondContact O-CB 3.44Å; G166-R169 PolarHBondContact O-N 3.36Å; G166-Y170 VanDerWaalsContact O-CB 3.31Å; G166-Y170 WeakPolarHBondContact O-CB 3.47Å; G166-Y170 PolarHBondContact O-N 3.26Å |
| 167 | L | 84.9 | Confident | 87.4 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 171.9 | -178.8 | 61.3 | 0 | 0 | 0 | 112.7 | L159 G163 S164 Y170 L171 I326 P943 | L159-L167 HydrophobicContact CD2-CD1 4.14Å; L159-L167 HydrophobicContact CG-CD1 4.48Å; G163-L167 PolarHBondContact O-N 3.31Å; G163-L167 VanDerWaalsContact O-N 3.13Å; S164-L167 PolarHBondContact O-N 3.14Å; L167-Y170 HydrophobicContact CD1-CD1 4.42Å; L167-Y170 WeakPolarHBondContact O-CB 3.42Å; L167-Y170 PolarHBondContact O-N 2.8Å; L167-L171 HydrophobicContact CD1-CD1 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.47Å; L167-L171 PolarHBondContact O-N 3.36Å; L167-I326 HydrophobicContact CD2-CD1 4.31Å; L167-I326 HydrophobicContact CD2-CG1 4.31Å; L167-P943 HydrophobicContact CD1-CG 4.01Å; L167-P943 HydrophobicContact CD2-CG 4.16Å |
| 168 | I | 86.8 | Confident | 87.6 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 176.4 | -65.8 | 164.6 | 0 | 0 | 0 | 109.8 | S164 D165 Y170 L171 T172 F266 I298 K299 L302 | S164-I168 WeakPolarHBondContact O-CD1 3.25Å; S164-I168 VanDerWaalsContact O-CG1 3.24Å; S164-I168 WeakPolarHBondContact O-CG1 3.49Å; S164-I168 PolarHBondContact O-N 3.26Å; D165-I168 PolarHBondContact O-N 2.79Å; I168-Y170 VanDerWaalsContact C-N 3.28Å; I168-Y170 PolarHBondContact O-N 3.47Å; I168-L171 PolarHBondContact O-N 3.49Å; I168-T172 WeakPolarHBondContact O-CB 3.47Å; I168-T172 PolarHBondContact O-N 3.02Å; I168-T172 PolarHBondContact O-OG1 2.81Å; I168-F266 HydrophobicContact CG2-CE1 4.36Å; I168-F266 HydrophobicContact CG2-CZ 3.84Å; I168-I298 HydrophobicContact CG2-CB 4.5Å; I168-I298 HydrophobicContact CG2-CG2 3.42Å; I168-I298 VanDerWaalsContact CG2-CG2 3.42Å; I168-K299 HydrophobicContact CD1-CB 3.97Å; I168-K299 HydrophobicContact CD1-CD 4.43Å; I168-K299 HydrophobicContact CD1-CG 3.2Å; I168-L302 HydrophobicContact CG1-CD2 4.21Å |
| 169 | R | 91.2 | Very high | 88 | Confident | 109 Ų | 109 | 45.7 Ų | 45.7 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.8 | -47.4 | 173.1 | -177.2 | -177 | -176.7 | 166.9 | 10.1 | 111.2 | D165 G166 L171 T172 S173 F266 D267 | D165-R169 PolarHBondContact O-N 3.18Å; G166-R169 WeakPolarHBondContact O-CB 3.44Å; G166-R169 PolarHBondContact O-N 3.36Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 2.66Å; R169-T172 PolarHBondContact O-N 3.13Å; R169-S173 WeakPolarHBondContact O-CB 3.3Å; R169-S173 PolarHBondContact O-N 3.11Å; R169-F266 HydrophobicContact CB-CD1 3.91Å; R169-F266 HydrophobicContact CB-CD2 4.33Å; R169-F266 HydrophobicContact CB-CE1 3.92Å; R169-F266 HydrophobicContact CB-CE2 4.33Å; R169-F266 HydrophobicContact CB-CG 4.14Å; R169-F266 HydrophobicContact CB-CZ 4.17Å; R169-F266 HydrophobicContact CG-CB 4.29Å; R169-F266 HydrophobicContact CG-CD1 4.13Å; R169-F266 HydrophobicContact CG-CD2 4.06Å; R169-F266 HydrophobicContact CG-CE2 4.48Å; R169-F266 HydrophobicContact CG-CG 3.88Å; R169-D267 IonicContact CZ-OD1 3.5Å; R169-D267 IonicContact CZ-OD2 2.9Å; R169-D267 IonicContact NH1-OD1 2.88Å; R169-D267 IonicContact NH2-OD1 3.87Å; R169-D267 PolarHBondContact NH2-OD1 3.1Å; R169-D267 IonicContact NH2-OD2 3.96Å; R169-D267 PolarHBondContact NH2-OD2 3.14Å |
| 170 | Y | 91 | Very high | 88.3 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.7 | -39.6 | 179.5 | 178 | -99.5 | 0 | 0 | 0 | 113.1 | H155 L159 G166 L167 I168 L903 P906 C941 | H155-Y170 AromaticContact CE1-CE2 3.58Å; H155-Y170 AromaticContact CE1-CZ 3.78Å; H155-Y170 AromaticContact NE2-CE2 3.58Å; L159-Y170 HydrophobicContact CD1-CD1 4.39Å; L159-Y170 HydrophobicContact CD1-CD2 3.87Å; L159-Y170 HydrophobicContact CD1-CG 3.78Å; L159-Y170 HydrophobicContact CD2-CD1 3.98Å; L159-Y170 HydrophobicContact CD2-CD2 4.28Å; L159-Y170 HydrophobicContact CD2-CE1 4.03Å; L159-Y170 HydrophobicContact CD2-CE2 4.25Å; L159-Y170 HydrophobicContact CD2-CG 4.14Å; G166-Y170 VanDerWaalsContact O-CB 3.31Å; G166-Y170 WeakPolarHBondContact O-CB 3.47Å; G166-Y170 PolarHBondContact O-N 3.26Å; L167-Y170 HydrophobicContact CD1-CD1 4.42Å; L167-Y170 WeakPolarHBondContact O-CB 3.42Å; L167-Y170 PolarHBondContact O-N 2.8Å; I168-Y170 VanDerWaalsContact C-N 3.28Å; I168-Y170 PolarHBondContact O-N 3.47Å; Y170-L903 WeakPolarHBondContact CE2-O 3.49Å; Y170-L903 PolarHBondContact OH-O 3.49Å; Y170-P906 HydrophobicContact CD1-CG 4.03Å; Y170-P906 HydrophobicContact CD2-CG 3.79Å; Y170-P906 HydrophobicContact CE1-CB 4.08Å; Y170-P906 HydrophobicContact CE1-CG 3.71Å; Y170-P906 HydrophobicContact CE2-CB 4.19Å; Y170-P906 VanDerWaalsContact CE2-CD 3.46Å; Y170-P906 HydrophobicContact CE2-CG 3.5Å; Y170-P906 VanDerWaalsContact CE2-CG 3.5Å; Y170-P906 HydrophobicContact CG-CG 4.05Å; Y170-P906 VanDerWaalsContact CZ-CG 3.41Å; Y170-P906 WeakPolarHBondContact O-CG 3.35Å; Y170-C941 WeakPolarHBondContact CE1-O 3.39Å |
| 171 | L | 89.7 | Confident | 89 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -91.7 | -16.5 | -176.6 | -66.2 | 172.3 | 0 | 0 | 0 | 114.7 | L167 I168 R169 L302 P943 M944 | L167-L171 HydrophobicContact CD1-CD1 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.47Å; L167-L171 PolarHBondContact O-N 3.36Å; I168-L171 PolarHBondContact O-N 3.49Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 2.66Å; L171-L302 HydrophobicContact CB-CD1 4.4Å; L171-L302 HydrophobicContact CD1-CD2 3.82Å; L171-P943 HydrophobicContact CD1-CB 4.36Å; L171-M944 HydrophobicContact CD2-CB 3.94Å |
| 172 | T | 91.7 | Very high | 89.4 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -138.4 | 0.8 | -166.2 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | I168 R169 A174 Q262 A263 Y264 L302 | I168-T172 WeakPolarHBondContact O-CB 3.47Å; I168-T172 PolarHBondContact O-N 3.02Å; I168-T172 PolarHBondContact O-OG1 2.81Å; R169-T172 PolarHBondContact O-N 3.13Å; T172-A174 PolarHBondContact O-N 3.15Å; T172-Q262 WeakPolarHBondContact CB-O 3.43Å; T172-A263 WeakPolarHBondContact O-CA 3.22Å; T172-Y264 HydrophobicContact CG2-CD2 4.47Å; T172-Y264 HydrophobicContact CG2-CE2 4.33Å; T172-Y264 PolarHBondContact O-N 2.98Å; T172-L302 HydrophobicContact CG2-CD1 3.49Å; T172-L302 VanDerWaalsContact CG2-CD1 3.49Å |
| 173 | S | 92.7 | Very high | 89.8 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 130.1 | 179.4 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | R169 L907 | R169-S173 WeakPolarHBondContact O-CB 3.3Å; R169-S173 PolarHBondContact O-N 3.11Å; S173-L907 WeakPolarHBondContact O-CD1 3.4Å |
| 174 | A | 94 | Very high | 90.3 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 140.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T172 A263 Y264 L265 Y275 | T172-A174 PolarHBondContact O-N 3.15Å; A174-A263 HydrophobicContact CB-CB 4.2Å; A174-Y264 WeakPolarHBondContact CB-O 3.38Å; A174-Y264 PolarHBondContact N-O 3.41Å; A174-L265 HydrophobicContact CB-CD1 4.03Å; A174-L265 HydrophobicContact CB-CG 4.49Å; A174-Y275 HydrophobicContact CB-CD1 3.75Å; A174-Y275 HydrophobicContact CB-CE1 4.08Å |
| 175 | S | 92.1 | Very high | 90.9 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 143 | 176.7 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | E276 Q908 | S175-E276 WeakPolarHBondContact CB-OE2 3.4Å; S175-E276 PolarHBondContact O-N 2.88Å; S175-Q908 WeakPolarHBondContact OG-CG 3.25Å; S175-Q908 PolarHBondContact OG-NE2 3.41Å |
| 176 | K | 90.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -112.8 | 153.6 | 170.8 | -59.3 | -178.4 | -169.7 | 178.4 | 0 | 110.8 | D267 E270 H274 Y275 | K176-D267 WeakPolarHBondContact CE-OD2 3.05Å; K176-D267 IonicContact NZ-OD2 3.98Å; K176-D267 PolarHBondContact NZ-OD2 2.74Å; K176-E270 HydrophobicContact CD-CG 4.29Å; K176-E270 IonicContact NZ-OE2 3.51Å; K176-E270 PolarHBondContact NZ-OE2 3.17Å; K176-H274 CarbonylContact C-O 3.32Å; K176-H274 VanDerWaalsContact CA-O 3.22Å; K176-H274 WeakPolarHBondContact CA-O 3.43Å; K176-H274 WeakPolarHBondContact CB-O 3.3Å; K176-Y275 HydrophobicContact CG-CD1 4.03Å; K176-Y275 HydrophobicContact CG-CE1 4.07Å |
| 177 | R | 89.3 | Confident | 91.5 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | trans | -150.2 | 147.6 | 177.3 | -169.4 | -179.2 | 66.5 | 169.5 | 1.3 | 110.4 | H274 Q279 E283 A871 | R177-H274 PolarHBondContact N-O 3.2Å; R177-Q279 PolarHBondContact O-NE2 3.06Å; R177-E283 IonicContact NH2-OE1 2.71Å; R177-E283 PolarHBondContact NH2-OE1 3.15Å; R177-E283 IonicContact NH2-OE2 3.26Å; R177-A871 HydrophobicContact CG-CB 4.16Å | ||
| 178 | E | 89.9 | Confident | 91.7 | Very high | 164 Ų | 164 | 47.8 Ų | 47.8 | 77% | 0.766 | 23% | 0.231 | S | C | * | . | P | Polyproline II helix | trans | -64 | 151.8 | 170.5 | -65.3 | -165.8 | 168 | 0 | 0 | 112.1 | S180 | E178-S180 PolarHBondContact O-N 2.93Š|
| 179 | L | 93.4 | Very high | 91.7 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 123.7 | 178.7 | -79.8 | 79.5 | 0 | 0 | 0 | 110.8 | L183 K184 L187 I273 H274 | L179-L183 HydrophobicContact CG-CD2 4.22Å; L179-K184 HydrophobicContact CB-CG 4.13Å; L179-K184 HydrophobicContact CD2-CG 4.29Å; L179-K184 VanDerWaalsContact O-CE 3.25Å; L179-K184 WeakPolarHBondContact O-CE 3.38Å; L179-K184 PolarHBondContact O-NZ 3.36Å; L179-L187 HydrophobicContact CD2-CD1 3.59Å; L179-I273 HydrophobicContact CD1-CG1 4.41Å; L179-I273 HydrophobicContact CD1-CG2 4.25Å; L179-I273 HydrophobicContact CD2-CG1 3.82Å; L179-I273 HydrophobicContact CD2-CG2 4.41Å; L179-I273 HydrophobicContact CG-CG1 4.25Å; L179-H274 WeakPolarHBondContact CD1-CD2 3.35Å |
| 180 | S | 93.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 157.6 | 168 | 67 | 0 | 0 | 0 | 0 | 112 | E178 S182 L183 K184 | E178-S180 PolarHBondContact O-N 2.93Å; S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 2.88Å; S180-S182 PolarHBondContact OG-OG 2.91Å; S180-L183 PolarHBondContact O-N 2.87Å; S180-L183 VanDerWaalsContact OG-CB 3.26Å; S180-L183 WeakPolarHBondContact OG-CB 3.39Å; S180-L183 PolarHBondContact OG-N 3.37Å; S180-K184 WeakPolarHBondContact O-CG 3.28Å; S180-K184 PolarHBondContact O-N 2.85Å |
| 181 | Q | 95.2 | Very high | 91.3 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.6 | -36.3 | 177.3 | -171.9 | 61 | 15.2 | 0 | 0 | 111.9 | L183 K184 V185 K1068 E1069 | Q181-L183 VanDerWaalsContact C-N 3.32Å; Q181-L183 PolarHBondContact O-N 3.05Å; Q181-K184 PolarHBondContact O-N 3.27Å; Q181-V185 WeakPolarHBondContact O-CG2 3.22Å; Q181-V185 PolarHBondContact O-N 3.28Å; Q181-K1068 PolarHBondContact N-O 3.11Å; Q181-E1069 WeakPolarHBondContact CB-O 3.3Å |
| 182 | S | 94.2 | Very high | 91.4 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 176.4 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | S180 V185 L186 K1068 | S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 2.88Å; S180-S182 PolarHBondContact OG-OG 2.91Å; S182-V185 PolarHBondContact O-N 2.94Å; S182-L186 WeakPolarHBondContact O-CB 3.5Å; S182-L186 PolarHBondContact O-N 3.43Å; S182-K1068 WeakPolarHBondContact CB-O 3.18Å; S182-K1068 PolarHBondContact N-O 3.41Å; S182-K1068 WeakPolarHBondContact OG-CB 3.31Å; S182-K1068 PolarHBondContact OG-O 3.32Å |
| 183 | L | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 176.6 | -175.7 | 59.9 | 0 | 0 | 0 | 111.6 | L179 S180 Q181 V185 L186 L187 I273 Q279 I282 E283 | L179-L183 HydrophobicContact CG-CD2 4.22Å; S180-L183 PolarHBondContact O-N 2.87Å; S180-L183 VanDerWaalsContact OG-CB 3.26Å; S180-L183 WeakPolarHBondContact OG-CB 3.39Å; S180-L183 PolarHBondContact OG-N 3.37Å; Q181-L183 VanDerWaalsContact C-N 3.32Å; Q181-L183 PolarHBondContact O-N 3.05Å; L183-V185 VanDerWaalsContact C-N 3.3Å; L183-V185 PolarHBondContact O-N 3.45Å; L183-L186 HydrophobicContact CD1-CD2 4.35Å; L183-L186 PolarHBondContact O-N 2.93Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L183-L187 HydrophobicContact CD1-CD1 4.45Å; L183-L187 HydrophobicContact CD1-CG 4.27Å; L183-L187 HydrophobicContact CG-CD1 4.01Å; L183-L187 HydrophobicContact CG-CG 4.33Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.41Å; L183-L187 PolarHBondContact O-N 2.93Å; L183-I273 HydrophobicContact CD2-CD1 4.24Å; L183-Q279 HydrophobicContact CD2-CB 3.72Å; L183-Q279 HydrophobicContact CD2-CG 3.56Å; L183-I282 HydrophobicContact CD1-CB 4.19Å; L183-I282 HydrophobicContact CD1-CG2 3.73Å; L183-E283 HydrophobicContact CD1-CG 4.24Å |
| 184 | K | 94.8 | Very high | 91.6 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57 | -44.5 | 173.4 | -70.6 | 168.5 | -173.4 | 163.4 | 0 | 111.3 | L179 S180 Q181 L187 Q188 | L179-K184 HydrophobicContact CB-CG 4.13Å; L179-K184 HydrophobicContact CD2-CG 4.29Å; L179-K184 VanDerWaalsContact O-CE 3.25Å; L179-K184 WeakPolarHBondContact O-CE 3.38Å; L179-K184 PolarHBondContact O-NZ 3.36Å; S180-K184 WeakPolarHBondContact O-CG 3.28Å; S180-K184 PolarHBondContact O-N 2.85Å; Q181-K184 PolarHBondContact O-N 3.27Å; K184-L187 PolarHBondContact O-N 3.49Å; K184-Q188 WeakPolarHBondContact O-CG 3.36Å; K184-Q188 PolarHBondContact O-N 3.44Å; K184-Q188 VanDerWaalsContact O-N 3.08Å |
| 185 | V | 91.9 | Very high | 91.7 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | Q181 S182 L183 Q188 | Q181-V185 WeakPolarHBondContact O-CG2 3.22Å; Q181-V185 PolarHBondContact O-N 3.28Å; S182-V185 PolarHBondContact O-N 2.94Å; L183-V185 VanDerWaalsContact C-N 3.3Å; L183-V185 PolarHBondContact O-N 3.45Å; V185-Q188 PolarHBondContact O-N 3.44Å |
| 186 | L | 89.6 | Confident | 91.8 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177.1 | -173.8 | 63.3 | 0 | 0 | 0 | 111.5 | S182 L183 Q188 K189 I282 Y285 | S182-L186 WeakPolarHBondContact O-CB 3.5Å; S182-L186 PolarHBondContact O-N 3.43Å; L183-L186 HydrophobicContact CD1-CD2 4.35Å; L183-L186 PolarHBondContact O-N 2.93Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 2.92Å; L186-K189 WeakPolarHBondContact O-CB 3.45Å; L186-K189 PolarHBondContact O-N 2.69Å; L186-K189 VanDerWaalsContact O-N 3.12Å; L186-I282 HydrophobicContact CD2-CG2 3.8Å; L186-I282 HydrophobicContact CG-CG2 4.43Å; L186-Y285 HydrophobicContact CD1-CE1 3.92Å |
| 187 | L | 90.7 | Very high | 92 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -32.2 | 178.1 | -72.5 | 167.8 | 0 | 0 | 0 | 112.6 | L179 L183 K184 K189 Q190 K217 I273 I282 | L179-L187 HydrophobicContact CD2-CD1 3.59Å; L183-L187 HydrophobicContact CD1-CD1 4.45Å; L183-L187 HydrophobicContact CD1-CG 4.27Å; L183-L187 HydrophobicContact CG-CD1 4.01Å; L183-L187 HydrophobicContact CG-CG 4.33Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.41Å; L183-L187 PolarHBondContact O-N 2.93Å; K184-L187 PolarHBondContact O-N 3.49Å; L187-K189 PolarHBondContact O-N 3.11Å; L187-Q190 PolarHBondContact O-N 3.08Å; L187-K217 VanDerWaalsContact O-CE 3.28Å; L187-K217 WeakPolarHBondContact O-CE 3.38Å; L187-K217 PolarHBondContact O-NZ 2.87Å; L187-I273 HydrophobicContact CD1-CD1 3.96Å; L187-I273 HydrophobicContact CD1-CG1 3.72Å; L187-I273 HydrophobicContact CD2-CD1 4.07Å; L187-I273 HydrophobicContact CD2-CG1 4.5Å; L187-I282 HydrophobicContact CD2-CD1 4.32Å |
| 188 | Q | 90.2 | Very high | 92.1 | Very high | 146 Ų | 146 | 52.6 Ų | 52.6 | 68% | 0.682 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.3 | -29.8 | 174.8 | -76.9 | 172.3 | -1.4 | 0 | 0 | 112.6 | K184 V185 L186 | K184-Q188 WeakPolarHBondContact O-CG 3.36Å; K184-Q188 PolarHBondContact O-N 3.44Å; K184-Q188 VanDerWaalsContact O-N 3.08Å; V185-Q188 PolarHBondContact O-N 3.44Å; L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 2.92Å |
| 189 | K | 86.3 | Confident | 92 | Very high | 155 Ų | 155 | 44.9 Ų | 44.9 | 67% | 0.674 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -82.1 | -19.5 | -178.8 | -61.7 | 178.9 | -176.5 | 179 | 0 | 114 | L186 L187 | L186-K189 WeakPolarHBondContact O-CB 3.45Å; L186-K189 PolarHBondContact O-N 2.69Å; L186-K189 VanDerWaalsContact O-N 3.12Å; L187-K189 PolarHBondContact O-N 3.11Å |
| 190 | Q | 84.4 | Confident | 91.4 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | trans | -85 | 152.9 | 177.1 | -65.9 | -176.5 | -24.3 | 0 | 0 | 110.1 | L187 K217 | L187-Q190 PolarHBondContact O-N 3.08Å; Q190-K217 WeakPolarHBondContact O-CE 3.19Å; Q190-K217 PolarHBondContact O-NZ 3.38Å | ||
| 191 | T | 89.2 | Confident | 90.6 | Very high | 120 Ų | 120 | 47 Ų | 47 | 74% | 0.736 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -89.8 | -45.9 | 173.7 | 44.7 | 0 | 0 | 0 | 0 | 111 | K217 | T191-K217 WeakPolarHBondContact O-CE 3.33Š|
| 192 | H | 92.3 | Very high | 89.3 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -123.6 | 165.5 | 179.7 | 49.9 | -118.1 | 0 | 0 | 0 | 110.6 | T194 E214 L215 | H192-T194 PolarHBondContact CD2-OG1 3.12Å; H192-T194 PolarHBondContact NE2-OG1 3.3Å; H192-T194 VanDerWaalsContact NE2-OG1 3.08Å; H192-E214 HydrophobicContact CB-CB 4.05Å; H192-E214 IonicContact CE1-OE1 3.11Å; H192-E214 PolarHBondContact CE1-OE1 3.06Å; H192-E214 IonicContact CE1-OE2 3.1Å; H192-E214 PolarHBondContact CE1-OE2 2.96Å; H192-E214 IonicContact CG-OE2 3.65Å; H192-E214 IonicContact ND1-OE1 3.74Å; H192-E214 IonicContact ND1-OE2 2.85Å; H192-E214 PolarHBondContact ND1-OE2 3.19Å; H192-E214 IonicContact NE2-OE1 3.52Å; H192-E214 IonicContact NE2-OE2 3.93Å; H192-L215 CarbonylContact C-O 3Å; H192-L215 WeakPolarHBondContact CA-O 3.24Å; H192-L215 WeakPolarHBondContact CB-O 3.42Å |
| 193 | L | 93.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 106 | 164.8 | 175.9 | 63.4 | 0 | 0 | 0 | 108.8 | I195 L215 L272 I282 | L193-I195 HydrophobicContact CG-CG2 4.32Å; L193-L215 HydrophobicContact CB-CB 4.45Å; L193-L215 PolarHBondContact N-O 3.49Å; L193-L215 PolarHBondContact O-N 3.41Å; L193-L272 HydrophobicContact CD2-CB 3.99Å; L193-L272 HydrophobicContact CD2-CD1 4.12Å; L193-I282 HydrophobicContact CD1-CD1 3.62Å; L193-I282 HydrophobicContact CD1-CG1 4.27Å |
| 194 | T | 94.4 | Very high | 87.4 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.9 | 177.4 | -39.7 | 0 | 0 | 0 | 0 | 110.7 | H192 V212 I213 E214 H287 | H192-T194 PolarHBondContact CD2-OG1 3.12Å; H192-T194 PolarHBondContact NE2-OG1 3.3Å; H192-T194 VanDerWaalsContact NE2-OG1 3.08Å; T194-V212 HydrophobicContact CG2-CG1 3.52Å; T194-I213 WeakPolarHBondContact CA-O 3.39Å; T194-E214 HydrophobicContact CG2-CG 4.48Å; T194-H287 WeakPolarHBondContact CB-ND1 3.46Å; T194-H287 PolarHBondContact O-ND1 3.07Å |
| 195 | I | 96 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 159.7 | 170.8 | 66.4 | 166.5 | 0 | 0 | 0 | 110.6 | L193 I213 L215 A224 I228 P288 L290 | L193-I195 HydrophobicContact CG-CG2 4.32Å; I195-I213 HydrophobicContact CG1-CB 4.01Å; I195-I213 PolarHBondContact N-O 3.17Å; I195-I213 PolarHBondContact O-N 3.46Å; I195-L215 HydrophobicContact CD1-CD1 3.65Å; I195-L215 HydrophobicContact CG1-CD1 3.97Å; I195-L215 HydrophobicContact CG2-CD1 4.41Å; I195-A224 HydrophobicContact CD1-CB 4.21Å; I195-I228 HydrophobicContact CD1-CD1 3.97Å; I195-I228 HydrophobicContact CD1-CG1 4.42Å; I195-P288 HydrophobicContact CG2-CB 4.22Å; I195-P288 HydrophobicContact CG2-CG 4.18Å; I195-L290 HydrophobicContact CD1-CD1 4.38Å |
| 196 | T | 94.9 | Very high | 85.4 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 9% | 0.086 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.4 | 166.1 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | V211 V212 H287 P288 C289 L290 | T196-V211 CarbonylContact C-O 3.55Å; T196-V211 WeakPolarHBondContact CA-O 3.29Å; T196-V212 HydrophobicContact CG2-CG2 4.2Å; T196-H287 HydrophobicContact CG2-CB 3.86Å; T196-P288 PolarHBondContact N-O 2.93Å; T196-P288 VanDerWaalsContact O-O 3.13Å; T196-P288 PolarHBondContact OG1-O 2.87Å; T196-C289 WeakPolarHBondContact O-CA 3.29Å; T196-C289 WeakPolarHBondContact OG1-CA 3.16Å; T196-L290 PolarHBondContact O-N 3.38Å |
| 197 | A | 94.5 | Very high | 85 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R210 V211 I228 L290 | A197-R210 CarbonylContact O-C 3.6Å; A197-R210 WeakPolarHBondContact O-CA 3.41Å; A197-V211 HydrophobicContact CB-CG2 3.9Å; A197-V211 PolarHBondContact N-O 2.99Å; A197-V211 WeakPolarHBondContact O-CG2 3.47Å; A197-V211 PolarHBondContact O-N 2.87Å; A197-I228 HydrophobicContact CB-CB 4.48Å; A197-I228 HydrophobicContact CB-CD1 3.72Å; A197-I228 HydrophobicContact CB-CG1 3.65Å; A197-I228 HydrophobicContact CB-CG2 3.98Å; A197-L290 CarbonylContact C-O 3.57Å; A197-L290 WeakPolarHBondContact CA-O 3.09Å |
| 198 | W | 91.7 | Very high | 84.7 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 10% | 0.095 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.2 | 168.9 | -75.3 | 94.3 | 0 | 0 | 0 | 109.8 | K208 C209 R210 C289 L290 S291 P292 L1032 F1035 | W198-K208 HydrophobicContact CE3-CB 3.88Å; W198-K208 HydrophobicContact CZ3-CB 4.07Å; W198-C209 WeakPolarHBondContact CA-O 3.27Å; W198-R210 HydrophobicContact CD2-CB 4.2Å; W198-R210 HydrophobicContact CE3-CB 4.17Å; W198-R210 HydrophobicContact CH2-CB 3.99Å; W198-R210 HydrophobicContact CZ2-CB 3.97Å; W198-R210 HydrophobicContact CZ2-CG 4.29Å; W198-R210 HydrophobicContact CZ3-CB 4.08Å; W198-C289 VanDerWaalsContact CD1-SG 3.51Å; W198-L290 PolarHBondContact N-O 3.22Å; W198-S291 PolarHBondContact O-OG 3.35Å; W198-P292 WeakPolarHBondContact O-CD 3.48Å; W198-L1032 HydrophobicContact CB-CD1 3.81Å; W198-L1032 HydrophobicContact CB-CD2 3.97Å; W198-L1032 HydrophobicContact CD2-CD2 4.08Å; W198-L1032 HydrophobicContact CE3-CD2 4.43Å; W198-L1032 HydrophobicContact CG-CD1 3.97Å; W198-L1032 HydrophobicContact CG-CD2 3.88Å; W198-F1035 HydrophobicContact CE3-CD2 4.38Å; W198-F1035 HydrophobicContact CE3-CE2 4.4Å; W198-F1035 HydrophobicContact CH2-CB 3.91Å; W198-F1035 AromaticContact CH2-CD1 3.64Å; W198-F1035 HydrophobicContact CH2-CD1 3.64Å; W198-F1035 AromaticContact CH2-CD2 3.59Å; W198-F1035 HydrophobicContact CH2-CD2 3.59Å; W198-F1035 AromaticContact CH2-CE1 3.94Å; W198-F1035 HydrophobicContact CH2-CE1 3.94Å; W198-F1035 AromaticContact CH2-CE2 3.88Å; W198-F1035 HydrophobicContact CH2-CE2 3.88Å; W198-F1035 AromaticContact CH2-CG 3.44Å; W198-F1035 HydrophobicContact CH2-CG 3.44Å; W198-F1035 VanDerWaalsContact CH2-CG 3.44Å; W198-F1035 HydrophobicContact CH2-CZ 4.02Å; W198-F1035 HydrophobicContact CZ2-CB 3.44Å; W198-F1035 VanDerWaalsContact CZ2-CB 3.44Å; W198-F1035 HydrophobicContact CZ2-CD1 4.1Å; W198-F1035 AromaticContact CZ2-CD2 3.8Å; W198-F1035 HydrophobicContact CZ2-CD2 3.8Å; W198-F1035 AromaticContact CZ2-CG 3.53Å; W198-F1035 HydrophobicContact CZ2-CG 3.53Å; W198-F1035 HydrophobicContact CZ3-CD1 4.47Å; W198-F1035 AromaticContact CZ3-CD2 3.91Å; W198-F1035 HydrophobicContact CZ3-CD2 3.91Å; W198-F1035 HydrophobicContact CZ3-CE1 4.4Å; W198-F1035 AromaticContact CZ3-CE2 3.82Å; W198-F1035 HydrophobicContact CZ3-CE2 3.82Å; W198-F1035 HydrophobicContact CZ3-CG 4.22Å; W198-F1035 HydrophobicContact CZ3-CZ 4.06Å |
| 199 | V | 87.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 167.6 | -179 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | K208 C209 V211 I228 Q232 L235 P292 | V199-K208 CarbonylContact O-C 3.24Å; V199-K208 WeakPolarHBondContact O-CA 3.03Å; V199-C209 HydrophobicContact CG2-CB 4.43Å; V199-C209 PolarHBondContact N-O 3.49Å; V199-C209 PolarHBondContact O-N 3.36Å; V199-V211 HydrophobicContact CG1-CG2 4.28Å; V199-V211 HydrophobicContact CG2-CG1 3.92Å; V199-V211 HydrophobicContact CG2-CG2 4.18Å; V199-I228 HydrophobicContact CG1-CG2 3.56Å; V199-Q232 HydrophobicContact CB-CB 3.94Å; V199-Q232 HydrophobicContact CB-CG 3.97Å; V199-Q232 HydrophobicContact CG1-CB 4.04Å; V199-L235 HydrophobicContact CG2-CD1 3.67Å; V199-P292 HydrophobicContact CG1-CG 4.45Å |
| 200 | L | 80.9 | Confident | 84.8 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.9 | 175 | -62.5 | 174.3 | 0 | 0 | 0 | 110.4 | P206 E207 K208 Q232 | L200-P206 HydrophobicContact CB-CB 4.23Å; L200-P206 HydrophobicContact CD2-CB 4.49Å; L200-E207 WeakPolarHBondContact CA-O 3.37Å; L200-K208 HydrophobicContact CD2-CG 3.97Å; L200-Q232 VanDerWaalsContact O-CG 3.29Å; L200-Q232 WeakPolarHBondContact O-CG 3.46Å |
| 201 | D | 76.7 | Confident | 85.2 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | trans | -79.6 | -178.6 | 172.7 | 71.8 | 13.8 | 0 | 0 | 0 | 112.7 | K203 E207 | D201-K203 WeakPolarHBondContact OD1-CB 3.39Å; D201-K203 PolarHBondContact OD1-N 3.05Å; D201-K203 VanDerWaalsContact OD1-N 3.12Å; D201-K203 WeakPolarHBondContact OD2-CD 3.46Å; D201-K203 VanDerWaalsContact OD2-CE 3.3Å; D201-K203 WeakPolarHBondContact OD2-CE 3.5Å; D201-K203 IonicContact OD2-NZ 3.95Å; D201-K203 PolarHBondContact OD2-NZ 3.28Å; D201-E207 PolarHBondContact N-O 3.4Å; D201-E207 PolarHBondContact OD1-N 3.12Å | ||
| 202 | G | 69.2 | Low | 85.5 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -90 | 6.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 203 | K | 72.8 | Confident | 85.6 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -72.6 | 163.1 | -178.9 | -61.8 | -178.8 | -164.6 | 124.8 | 0 | 110.8 | D201 P205 P206 E207 D239 | D201-K203 WeakPolarHBondContact OD1-CB 3.39Å; D201-K203 PolarHBondContact OD1-N 3.05Å; D201-K203 VanDerWaalsContact OD1-N 3.12Å; D201-K203 WeakPolarHBondContact OD2-CD 3.46Å; D201-K203 VanDerWaalsContact OD2-CE 3.3Å; D201-K203 WeakPolarHBondContact OD2-CE 3.5Å; D201-K203 IonicContact OD2-NZ 3.95Å; D201-K203 PolarHBondContact OD2-NZ 3.28Å; K203-P205 CarbonylContact C-O 3.58Å; K203-P205 CarbonylContact O-C 3.6Å; K203-P206 VanDerWaalsContact O-CA 3.22Å; K203-P206 WeakPolarHBondContact O-CA 3.42Å; K203-P206 WeakPolarHBondContact O-CD 3.2Å; K203-E207 HydrophobicContact CD-CG 4.41Å; K203-E207 IonicContact NZ-OE2 3.1Å; K203-E207 PolarHBondContact NZ-OE2 2.89Å; K203-D239 HydrophobicContact CG-CB 4.44Å |
| 204 | D | 74.1 | Confident | 85.7 | Confident | 162 Ų | 162 | 59.2 Ų | 59.2 | 87% | 0.866 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -118.9 | 109.2 | 172.3 | -171 | 15.3 | 0 | 0 | 0 | 109.7 | ||
| 205 | P | 72.2 | Confident | 85.8 | Confident | 98 Ų | 98 | 58.7 Ų | 58.7 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | S | Bend | cis | -74.7 | 154.8 | 0.3 | 31.8 | -35 | 0 | 0 | 0 | 112.8 | K203 E207 | K203-P205 CarbonylContact C-O 3.58Å; K203-P205 CarbonylContact O-C 3.6Å; P205-E207 PolarHBondContact O-N 3.35Å |
| 206 | P | 72.1 | Confident | 85.8 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 126.1 | 179.3 | -22.4 | 31.4 | 0 | 0 | 0 | 111.9 | L200 K203 | L200-P206 HydrophobicContact CB-CB 4.23Å; L200-P206 HydrophobicContact CD2-CB 4.49Å; K203-P206 VanDerWaalsContact O-CA 3.22Å; K203-P206 WeakPolarHBondContact O-CA 3.42Å; K203-P206 WeakPolarHBondContact O-CD 3.2Å |
| 207 | E | 81.3 | Confident | 85.6 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 152.2 | 175.5 | -60.8 | -173.3 | 143.5 | 0 | 0 | 111 | L200 D201 K203 P205 | L200-E207 WeakPolarHBondContact CA-O 3.37Å; D201-E207 PolarHBondContact N-O 3.4Å; D201-E207 PolarHBondContact OD1-N 3.12Å; K203-E207 HydrophobicContact CD-CG 4.41Å; K203-E207 IonicContact NZ-OE2 3.1Å; K203-E207 PolarHBondContact NZ-OE2 2.89Å; P205-E207 PolarHBondContact O-N 3.35Å |
| 208 | K | 84.4 | Confident | 85.6 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123 | 176.3 | -67.9 | 166.2 | -179.7 | 159.2 | 0 | 109.4 | W198 V199 L200 R1031 L1032 F1035 | W198-K208 HydrophobicContact CE3-CB 3.88Å; W198-K208 HydrophobicContact CZ3-CB 4.07Å; V199-K208 CarbonylContact O-C 3.24Å; V199-K208 WeakPolarHBondContact O-CA 3.03Å; L200-K208 HydrophobicContact CD2-CG 3.97Å; K208-R1031 PolarHBondContact NZ-O 3.43Å; K208-L1032 HydrophobicContact CD-CD2 3.79Å; K208-F1035 HydrophobicContact CB-CE2 4.34Å; K208-F1035 HydrophobicContact CD-CE2 3.96Å |
| 209 | C | 87.4 | Confident | 85.8 | Confident | 35 Ų | 35 | 73 Ų | 73 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.7 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | W198 V199 L235 | W198-C209 WeakPolarHBondContact CA-O 3.27Å; V199-C209 HydrophobicContact CG2-CB 4.43Å; V199-C209 PolarHBondContact N-O 3.49Å; V199-C209 PolarHBondContact O-N 3.36Å; C209-L235 HydrophobicContact CB-CD1 4.2Å |
| 210 | R | 91.5 | Very high | 86.2 | Confident | 167 Ų | 167 | 74 Ų | 74 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.7 | 173.9 | -169.5 | -177.4 | 76.3 | -174.1 | 3.9 | 109.5 | A197 W198 | A197-R210 CarbonylContact O-C 3.6Å; A197-R210 WeakPolarHBondContact O-CA 3.41Å; W198-R210 HydrophobicContact CD2-CB 4.2Å; W198-R210 HydrophobicContact CE3-CB 4.17Å; W198-R210 HydrophobicContact CH2-CB 3.99Å; W198-R210 HydrophobicContact CZ2-CB 3.97Å; W198-R210 HydrophobicContact CZ2-CG 4.29Å; W198-R210 HydrophobicContact CZ3-CB 4.08Å |
| 211 | V | 92.8 | Very high | 87 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 148.5 | 173.2 | -64 | 0 | 0 | 0 | 0 | 110.4 | T196 A197 V199 I213 A231 L235 | T196-V211 CarbonylContact C-O 3.55Å; T196-V211 WeakPolarHBondContact CA-O 3.29Å; A197-V211 HydrophobicContact CB-CG2 3.9Å; A197-V211 PolarHBondContact N-O 2.99Å; A197-V211 WeakPolarHBondContact O-CG2 3.47Å; A197-V211 PolarHBondContact O-N 2.87Å; V199-V211 HydrophobicContact CG1-CG2 4.28Å; V199-V211 HydrophobicContact CG2-CG1 3.92Å; V199-V211 HydrophobicContact CG2-CG2 4.18Å; V211-I213 HydrophobicContact CG2-CD1 4.11Å; V211-I213 HydrophobicContact CG2-CG1 4.27Å; V211-A231 HydrophobicContact CG2-CB 4.44Å; V211-L235 HydrophobicContact CG1-CD1 3.77Å |
| 212 | V | 94.4 | Very high | 87.9 | Confident | 87 Ų | 87 | 73.6 Ų | 73.6 | 53% | 0.527 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.6 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 107 | T194 T196 | T194-V212 HydrophobicContact CG2-CG1 3.52Å; T196-V212 HydrophobicContact CG2-CG2 4.2Å |
| 213 | I | 95.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.9 | -174.9 | -57 | 174 | 0 | 0 | 0 | 108.3 | T194 I195 V211 L215 E227 I228 | T194-I213 WeakPolarHBondContact CA-O 3.39Å; I195-I213 HydrophobicContact CG1-CB 4.01Å; I195-I213 PolarHBondContact N-O 3.17Å; I195-I213 PolarHBondContact O-N 3.46Å; V211-I213 HydrophobicContact CG2-CD1 4.11Å; V211-I213 HydrophobicContact CG2-CG1 4.27Å; I213-L215 HydrophobicContact CG2-CD2 3.67Å; I213-L215 HydrophobicContact CG2-CG 4.02Å; I213-E227 HydrophobicContact CD1-CB 4.5Å; I213-E227 HydrophobicContact CG2-CB 3.98Å; I213-I228 HydrophobicContact CD1-CB 4.17Å; I213-I228 HydrophobicContact CD1-CG1 3.42Å; I213-I228 VanDerWaalsContact CD1-CG1 3.42Å |
| 214 | E | 96.2 | Very high | 90.3 | Very high | 127 Ų | 127 | 71.7 Ų | 71.7 | 59% | 0.593 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.2 | 173.7 | -65.7 | -176.2 | 179.4 | 0 | 0 | 109 | H192 T194 | H192-E214 HydrophobicContact CB-CB 4.05Å; H192-E214 IonicContact CE1-OE1 3.11Å; H192-E214 PolarHBondContact CE1-OE1 3.06Å; H192-E214 IonicContact CE1-OE2 3.1Å; H192-E214 PolarHBondContact CE1-OE2 2.96Å; H192-E214 IonicContact CG-OE2 3.65Å; H192-E214 IonicContact ND1-OE1 3.74Å; H192-E214 IonicContact ND1-OE2 2.85Å; H192-E214 PolarHBondContact ND1-OE2 3.19Å; H192-E214 IonicContact NE2-OE1 3.52Å; H192-E214 IonicContact NE2-OE2 3.93Å; T194-E214 HydrophobicContact CG2-CG 4.48Å |
| 215 | L | 96.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 157.6 | -177.2 | -61.5 | 174.5 | 0 | 0 | 0 | 111.1 | H192 L193 I195 I213 A219 A224 E227 L272 | H192-L215 CarbonylContact C-O 3Å; H192-L215 WeakPolarHBondContact CA-O 3.24Å; H192-L215 WeakPolarHBondContact CB-O 3.42Å; L193-L215 HydrophobicContact CB-CB 4.45Å; L193-L215 PolarHBondContact N-O 3.49Å; L193-L215 PolarHBondContact O-N 3.41Å; I195-L215 HydrophobicContact CD1-CD1 3.65Å; I195-L215 HydrophobicContact CG1-CD1 3.97Å; I195-L215 HydrophobicContact CG2-CD1 4.41Å; I213-L215 HydrophobicContact CG2-CD2 3.67Å; I213-L215 HydrophobicContact CG2-CG 4.02Å; L215-A219 HydrophobicContact CB-CB 3.82Å; L215-A219 HydrophobicContact CD1-CB 4.26Å; L215-A224 HydrophobicContact CD1-CB 3.67Å; L215-E227 HydrophobicContact CD2-CB 4.04Å; L215-E227 HydrophobicContact CD2-CG 3.73Å; L215-L272 HydrophobicContact CD1-CD1 3.6Å |
| 216 | D | 95 | Very high | 92.3 | Very high | 109 Ų | 109 | 61.6 Ų | 61.6 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | trans | -60.9 | 147 | 164.4 | -170.4 | -83.4 | 0 | 0 | 0 | 109.9 | K218 A219 | D216-K218 PolarHBondContact O-N 2.9Å; D216-K218 VanDerWaalsContact O-N 3.16Å; D216-K218 WeakPolarHBondContact OD1-CA 3.31Å; D216-K218 VanDerWaalsContact OD1-CB 3.29Å; D216-K218 WeakPolarHBondContact OD1-CB 3.08Å; D216-K218 PolarHBondContact OD1-N 3.41Å; D216-A219 WeakPolarHBondContact O-CB 3.37Å; D216-A219 PolarHBondContact O-N 3.34Å | ||
| 217 | K | 91 | Very high | 93.4 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.2 | 179.6 | -59.8 | 179 | -166.1 | 170.6 | 0 | 113.1 | L187 Q190 T191 A219 | L187-K217 VanDerWaalsContact O-CE 3.28Å; L187-K217 WeakPolarHBondContact O-CE 3.38Å; L187-K217 PolarHBondContact O-NZ 2.87Å; Q190-K217 WeakPolarHBondContact O-CE 3.19Å; Q190-K217 PolarHBondContact O-NZ 3.38Å; T191-K217 WeakPolarHBondContact O-CE 3.33Å; K217-A219 VanDerWaalsContact C-N 3.34Å |
| 218 | K | 94.2 | Very high | 94 | Very high | 160 Ų | 160 | 57.6 Ų | 57.6 | 70% | 0.696 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 14.2 | 173.8 | -56.5 | -178.5 | 178.9 | -179.5 | 0 | 112.3 | D216 T220 L271 | D216-K218 PolarHBondContact O-N 2.9Å; D216-K218 VanDerWaalsContact O-N 3.16Å; D216-K218 WeakPolarHBondContact OD1-CA 3.31Å; D216-K218 VanDerWaalsContact OD1-CB 3.29Å; D216-K218 WeakPolarHBondContact OD1-CB 3.08Å; D216-K218 PolarHBondContact OD1-N 3.41Å; K218-T220 PolarHBondContact O-N 3.1Å; K218-L271 HydrophobicContact CB-CD2 4.43Å; K218-L271 WeakPolarHBondContact O-CD2 3.26Å |
| 219 | A | 96 | Very high | 94.3 | Very high | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | trans | -61.3 | 129.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L215 D216 K217 N223 L272 | L215-A219 HydrophobicContact CB-CB 3.82Å; L215-A219 HydrophobicContact CD1-CB 4.26Å; D216-A219 WeakPolarHBondContact O-CB 3.37Å; D216-A219 PolarHBondContact O-N 3.34Å; K217-A219 VanDerWaalsContact C-N 3.34Å; A219-N223 HydrophobicContact CB-CB 4.08Å; A219-L272 HydrophobicContact CB-CD1 4.17Å; A219-L272 PolarHBondContact O-N 2.9Å; A219-L272 VanDerWaalsContact O-N 3.1Å | ||
| 220 | T | 97.2 | Very high | 94.5 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 169.9 | 171.1 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | K218 F222 N223 A224 S268 D269 E270 L271 | K218-T220 PolarHBondContact O-N 3.1Å; T220-F222 PolarHBondContact O-N 3.13Å; T220-F222 PolarHBondContact OG1-N 2.85Å; T220-N223 PolarHBondContact N-OD1 2.9Å; T220-N223 PolarHBondContact O-N 2.79Å; T220-N223 VanDerWaalsContact O-N 3.16Å; T220-N223 PolarHBondContact OG1-N 2.67Å; T220-N223 PolarHBondContact OG1-OD1 3.49Å; T220-A224 PolarHBondContact O-N 3.27Å; T220-A224 VanDerWaalsContact O-N 3.08Å; T220-S268 WeakPolarHBondContact CB-O 3.04Å; T220-S268 PolarHBondContact OG1-O 3.42Å; T220-D269 WeakPolarHBondContact CG2-O 3.15Å; T220-E270 CarbonylContact C-O 2.92Å; T220-E270 WeakPolarHBondContact CA-O 3.34Å; T220-E270 WeakPolarHBondContact CB-O 3.33Å; T220-L271 HydrophobicContact CG2-CD2 4.17Å |
| 221 | V | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.1 | -41.2 | 169.7 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | A224 L225 L256 L265 D267 S268 E270 L272 Y275 | V221-A224 PolarHBondContact O-N 2.83Å; V221-L225 VanDerWaalsContact O-CB 3.27Å; V221-L225 WeakPolarHBondContact O-CB 3.36Å; V221-L225 PolarHBondContact O-N 2.99Å; V221-L256 HydrophobicContact CG1-CD1 4.02Å; V221-L256 HydrophobicContact CG1-CG 4.33Å; V221-L265 HydrophobicContact CG1-CB 4.13Å; V221-L265 HydrophobicContact CG2-CB 4.05Å; V221-L265 HydrophobicContact CG2-CD2 4.1Å; V221-D267 WeakPolarHBondContact CB-O 3.3Å; V221-D267 WeakPolarHBondContact CG2-O 3.32Å; V221-S268 PolarHBondContact N-O 3.38Å; V221-E270 PolarHBondContact N-O 3.44Å; V221-L272 HydrophobicContact CG2-CD2 4.32Å; V221-Y275 HydrophobicContact CG2-CD2 4.4Å; V221-Y275 HydrophobicContact CG2-CE2 3.53Å |
| 222 | F | 95.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.8 | -177.7 | -104.5 | 0 | 0 | 0 | 112.7 | T220 L225 N226 A251 S268 | T220-F222 PolarHBondContact O-N 3.13Å; T220-F222 PolarHBondContact OG1-N 2.85Å; F222-L225 PolarHBondContact O-N 3.12Å; F222-N226 WeakPolarHBondContact CD1-ND2 3.44Å; F222-N226 WeakPolarHBondContact CE1-ND2 3.41Å; F222-N226 WeakPolarHBondContact CZ-ND2 3.33Å; F222-N226 PolarHBondContact O-N 3.42Å; F222-N226 PolarHBondContact O-ND2 3.18Å; F222-A251 HydrophobicContact CD2-CB 4.25Å; F222-A251 HydrophobicContact CE2-CB 3.9Å; F222-S268 WeakPolarHBondContact CB-O 3.35Å; F222-S268 PolarHBondContact N-O 3.44Å |
| 223 | N | 95.3 | Very high | 93.6 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.7 | -49 | 176.4 | -62.7 | 128.7 | 0 | 0 | 0 | 111.3 | A219 T220 L225 N226 E227 | A219-N223 HydrophobicContact CB-CB 4.08Å; T220-N223 PolarHBondContact N-OD1 2.9Å; T220-N223 PolarHBondContact O-N 2.79Å; T220-N223 VanDerWaalsContact O-N 3.16Å; T220-N223 PolarHBondContact OG1-N 2.67Å; T220-N223 PolarHBondContact OG1-OD1 3.49Å; N223-L225 VanDerWaalsContact C-N 3.31Å; N223-L225 PolarHBondContact O-N 3.18Å; N223-N226 PolarHBondContact O-N 3.45Å; N223-E227 WeakPolarHBondContact O-CG 3.48Å; N223-E227 PolarHBondContact O-N 3.38Å |
| 224 | A | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I195 L215 T220 V221 N226 E227 I228 L256 L272 | I195-A224 HydrophobicContact CD1-CB 4.21Å; L215-A224 HydrophobicContact CD1-CB 3.67Å; T220-A224 PolarHBondContact O-N 3.27Å; T220-A224 VanDerWaalsContact O-N 3.08Å; V221-A224 PolarHBondContact O-N 2.83Å; A224-N226 PolarHBondContact O-N 3.45Å; A224-E227 PolarHBondContact O-N 3.31Å; A224-I228 WeakPolarHBondContact O-CB 3.17Å; A224-I228 WeakPolarHBondContact O-CD1 3.43Å; A224-I228 WeakPolarHBondContact O-CG1 2.97Å; A224-I228 PolarHBondContact O-N 3.32Å; A224-L256 HydrophobicContact CB-CD1 3.77Å; A224-L272 HydrophobicContact CB-CD1 3.51Å; A224-L272 HydrophobicContact CB-CD2 4.18Å; A224-L272 HydrophobicContact CB-CG 4.3Å |
| 225 | L | 95.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | -179.4 | -172.2 | 62 | 0 | 0 | 0 | 111.7 | V221 F222 N223 I228 L229 A251 L256 P292 | V221-L225 VanDerWaalsContact O-CB 3.27Å; V221-L225 WeakPolarHBondContact O-CB 3.36Å; V221-L225 PolarHBondContact O-N 2.99Å; F222-L225 PolarHBondContact O-N 3.12Å; N223-L225 VanDerWaalsContact C-N 3.31Å; N223-L225 PolarHBondContact O-N 3.18Å; L225-I228 PolarHBondContact O-N 3.28Å; L225-L229 HydrophobicContact CD1-CD1 4.34Å; L225-L229 HydrophobicContact CD1-CG 4.49Å; L225-L229 HydrophobicContact CG-CD1 4.1Å; L225-L229 WeakPolarHBondContact O-CB 3.5Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.48Å; L225-L229 PolarHBondContact O-N 2.94Å; L225-A251 HydrophobicContact CD2-CB 4.01Å; L225-A251 WeakPolarHBondContact CD2-O 3.08Å; L225-A251 HydrophobicContact CG-CB 4.09Å; L225-L256 HydrophobicContact CB-CD1 4.46Å; L225-L256 HydrophobicContact CB-CD2 4.38Å; L225-L256 HydrophobicContact CB-CG 4.3Å; L225-L256 HydrophobicContact CD1-CD2 3.54Å; L225-L256 HydrophobicContact CD1-CG 3.97Å; L225-P292 HydrophobicContact CD1-CB 3.87Å |
| 226 | N | 93.8 | Very high | 91.3 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 174.8 | -80.5 | -32.4 | 0 | 0 | 0 | 112.5 | F222 N223 A224 I228 L229 H230 A251 | F222-N226 WeakPolarHBondContact CD1-ND2 3.44Å; F222-N226 WeakPolarHBondContact CE1-ND2 3.41Å; F222-N226 WeakPolarHBondContact CZ-ND2 3.33Å; F222-N226 PolarHBondContact O-N 3.42Å; F222-N226 PolarHBondContact O-ND2 3.18Å; N223-N226 PolarHBondContact O-N 3.45Å; A224-N226 PolarHBondContact O-N 3.45Å; N226-I228 VanDerWaalsContact C-N 3.33Å; N226-I228 PolarHBondContact O-N 3.32Å; N226-L229 PolarHBondContact O-N 3.38Å; N226-H230 VanDerWaalsContact O-CB 3.32Å; N226-H230 WeakPolarHBondContact O-CB 3.48Å; N226-H230 PolarHBondContact O-N 2.83Å; N226-A251 WeakPolarHBondContact OD1-CB 3.48Å |
| 227 | E | 94.9 | Very high | 90.3 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 179.2 | -69.2 | -59.3 | 141.8 | 0 | 0 | 111.6 | I213 L215 N223 A224 H230 A231 | I213-E227 HydrophobicContact CD1-CB 4.5Å; I213-E227 HydrophobicContact CG2-CB 3.98Å; L215-E227 HydrophobicContact CD2-CB 4.04Å; L215-E227 HydrophobicContact CD2-CG 3.73Å; N223-E227 WeakPolarHBondContact O-CG 3.48Å; N223-E227 PolarHBondContact O-N 3.38Å; A224-E227 PolarHBondContact O-N 3.31Å; E227-H230 PolarHBondContact O-N 3Å; E227-A231 WeakPolarHBondContact O-CB 3.35Å; E227-A231 PolarHBondContact O-N 3.44Å |
| 228 | I | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 175.8 | -69.5 | 166 | 0 | 0 | 0 | 111.1 | I195 A197 V199 I213 A224 L225 N226 H230 A231 Q232 L256 P292 | I195-I228 HydrophobicContact CD1-CD1 3.97Å; I195-I228 HydrophobicContact CD1-CG1 4.42Å; A197-I228 HydrophobicContact CB-CB 4.48Å; A197-I228 HydrophobicContact CB-CD1 3.72Å; A197-I228 HydrophobicContact CB-CG1 3.65Å; A197-I228 HydrophobicContact CB-CG2 3.98Å; V199-I228 HydrophobicContact CG1-CG2 3.56Å; I213-I228 HydrophobicContact CD1-CB 4.17Å; I213-I228 HydrophobicContact CD1-CG1 3.42Å; I213-I228 VanDerWaalsContact CD1-CG1 3.42Å; A224-I228 WeakPolarHBondContact O-CB 3.17Å; A224-I228 WeakPolarHBondContact O-CD1 3.43Å; A224-I228 WeakPolarHBondContact O-CG1 2.97Å; A224-I228 PolarHBondContact O-N 3.32Å; L225-I228 PolarHBondContact O-N 3.28Å; N226-I228 VanDerWaalsContact C-N 3.33Å; N226-I228 PolarHBondContact O-N 3.32Å; I228-H230 VanDerWaalsContact C-N 3.31Å; I228-H230 PolarHBondContact O-N 3.09Å; I228-A231 PolarHBondContact O-N 3.24Å; I228-Q232 PolarHBondContact O-N 2.98Å; I228-L256 HydrophobicContact CD1-CD2 3.58Å; I228-P292 HydrophobicContact CG2-CB 4.28Å; I228-P292 HydrophobicContact CG2-CG 3.7Å |
| 229 | L | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | 179.5 | -70.4 | 173.1 | 0 | 0 | 0 | 111.8 | L225 N226 Q232 A233 P249 A251 Y254 P292 | L225-L229 HydrophobicContact CD1-CD1 4.34Å; L225-L229 HydrophobicContact CD1-CG 4.49Å; L225-L229 HydrophobicContact CG-CD1 4.1Å; L225-L229 WeakPolarHBondContact O-CB 3.5Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.48Å; L225-L229 PolarHBondContact O-N 2.94Å; N226-L229 PolarHBondContact O-N 3.38Å; L229-Q232 PolarHBondContact O-N 2.69Å; L229-A233 WeakPolarHBondContact O-CB 3.06Å; L229-A233 PolarHBondContact O-N 3.33Å; L229-P249 HydrophobicContact CD1-CB 4.42Å; L229-P249 HydrophobicContact CD2-CB 4.3Å; L229-P249 HydrophobicContact CD2-CG 4.41Å; L229-A251 HydrophobicContact CD1-CB 3.94Å; L229-Y254 HydrophobicContact CD1-CD2 3.93Å; L229-Y254 HydrophobicContact CD1-CE2 4.32Å; L229-Y254 HydrophobicContact CD1-CG 4.33Å; L229-Y254 HydrophobicContact CD2-CD1 4.34Å; L229-Y254 HydrophobicContact CD2-CD2 4.34Å; L229-Y254 HydrophobicContact CD2-CE1 4.23Å; L229-Y254 HydrophobicContact CD2-CE2 4.25Å; L229-Y254 HydrophobicContact CD2-CG 4.4Å; L229-P292 HydrophobicContact CD2-CB 4.17Å; L229-P292 HydrophobicContact CD2-CG 4.41Å |
| 230 | H | 91.1 | Very high | 86.2 | Confident | 66 Ų | 66 | 49 Ų | 49 | 31% | 0.306 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -49.3 | 172.5 | -169.5 | -86.1 | 0 | 0 | 0 | 111 | N226 E227 I228 Q232 A233 E234 L248 | N226-H230 VanDerWaalsContact O-CB 3.32Å; N226-H230 WeakPolarHBondContact O-CB 3.48Å; N226-H230 PolarHBondContact O-N 2.83Å; E227-H230 PolarHBondContact O-N 3Å; I228-H230 VanDerWaalsContact C-N 3.31Å; I228-H230 PolarHBondContact O-N 3.09Å; H230-Q232 VanDerWaalsContact C-N 3.28Å; H230-Q232 PolarHBondContact O-N 3.32Å; H230-A233 PolarHBondContact O-N 3.35Å; H230-A233 VanDerWaalsContact O-N 3.12Å; H230-E234 VanDerWaalsContact CE1-CD 3.46Å; H230-E234 IonicContact CE1-OE1 2.96Å; H230-E234 PolarHBondContact CE1-OE1 3.19Å; H230-E234 IonicContact ND1-OE1 2.62Å; H230-E234 IonicContact ND1-OE2 3.23Å; H230-E234 WeakPolarHBondContact O-CG 3.44Å; H230-E234 PolarHBondContact O-N 3.38Å; H230-L248 HydrophobicContact CB-CD2 4.47Å |
| 231 | A | 89.4 | Confident | 84.1 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | V211 E227 I228 E234 L235 | V211-A231 HydrophobicContact CG2-CB 4.44Å; E227-A231 WeakPolarHBondContact O-CB 3.35Å; E227-A231 PolarHBondContact O-N 3.44Å; I228-A231 PolarHBondContact O-N 3.24Å; A231-E234 PolarHBondContact O-N 3.32Å; A231-L235 WeakPolarHBondContact O-CG 3.24Å; A231-L235 PolarHBondContact O-N 3.23Å; A231-L235 VanDerWaalsContact O-N 3.08Å |
| 232 | Q | 87.4 | Confident | 81.8 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.1 | -171.7 | 171.3 | -72.3 | 0 | 0 | 112.1 | V199 L200 I228 L229 H230 E234 L235 A236 | V199-Q232 HydrophobicContact CB-CB 3.94Å; V199-Q232 HydrophobicContact CB-CG 3.97Å; V199-Q232 HydrophobicContact CG1-CB 4.04Å; L200-Q232 VanDerWaalsContact O-CG 3.29Å; L200-Q232 WeakPolarHBondContact O-CG 3.46Å; I228-Q232 PolarHBondContact O-N 2.98Å; L229-Q232 PolarHBondContact O-N 2.69Å; H230-Q232 VanDerWaalsContact C-N 3.28Å; H230-Q232 PolarHBondContact O-N 3.32Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 3.24Å; Q232-L235 PolarHBondContact O-N 3.01Å; Q232-A236 WeakPolarHBondContact O-CB 3.08Å; Q232-A236 PolarHBondContact O-N 3.16Å |
| 233 | A | 83.1 | Confident | 79.4 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L229 H230 R237 L248 | L229-A233 WeakPolarHBondContact O-CB 3.06Å; L229-A233 PolarHBondContact O-N 3.33Å; H230-A233 PolarHBondContact O-N 3.35Å; H230-A233 VanDerWaalsContact O-N 3.12Å; A233-R237 VanDerWaalsContact O-CG 3.27Å; A233-R237 WeakPolarHBondContact O-CG 3.35Å; A233-R237 PolarHBondContact O-N 3.09Å; A233-R237 VanDerWaalsContact O-N 3.12Å; A233-L248 HydrophobicContact CB-CD1 4.44Å |
| 234 | E | 84.1 | Confident | 77.1 | Confident | 88 Ų | 88 | 70.5 Ų | 70.5 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 174.4 | -73.3 | -173.4 | 150.8 | 0 | 0 | 112.5 | H230 A231 Q232 A236 R237 Q238 | H230-E234 VanDerWaalsContact CE1-CD 3.46Å; H230-E234 IonicContact CE1-OE1 2.96Å; H230-E234 PolarHBondContact CE1-OE1 3.19Å; H230-E234 IonicContact ND1-OE1 2.62Å; H230-E234 IonicContact ND1-OE2 3.23Å; H230-E234 WeakPolarHBondContact O-CG 3.44Å; H230-E234 PolarHBondContact O-N 3.38Å; A231-E234 PolarHBondContact O-N 3.32Å; Q232-E234 VanDerWaalsContact C-N 3.29Å; Q232-E234 PolarHBondContact O-N 3.24Å; E234-A236 VanDerWaalsContact C-N 3.32Å; E234-A236 PolarHBondContact O-N 3.36Å; E234-R237 PolarHBondContact O-N 2.87Å; E234-Q238 WeakPolarHBondContact O-CG 3.46Å; E234-Q238 PolarHBondContact O-N 3.08Å |
| 235 | L | 80.7 | Confident | 74.9 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 21% | 0.209 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.8 | -73 | 170.4 | 0 | 0 | 0 | 111.2 | V199 C209 V211 A231 Q232 R237 Q238 | V199-L235 HydrophobicContact CG2-CD1 3.67Å; C209-L235 HydrophobicContact CB-CD1 4.2Å; V211-L235 HydrophobicContact CG1-CD1 3.77Å; A231-L235 WeakPolarHBondContact O-CG 3.24Å; A231-L235 PolarHBondContact O-N 3.23Å; A231-L235 VanDerWaalsContact O-N 3.08Å; Q232-L235 PolarHBondContact O-N 3.01Å; L235-R237 VanDerWaalsContact C-N 3.27Å; L235-R237 PolarHBondContact O-N 2.9Å; L235-Q238 PolarHBondContact O-N 3.22Å; L235-Q238 VanDerWaalsContact O-N 3.16Å |
| 236 | A | 74.8 | Confident | 72.8 | Confident | 29 Ų | 29 | 82.7 Ų | 82.7 | 24% | 0.24 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q232 E234 C240 | Q232-A236 WeakPolarHBondContact O-CB 3.08Å; Q232-A236 PolarHBondContact O-N 3.16Å; E234-A236 VanDerWaalsContact C-N 3.32Å; E234-A236 PolarHBondContact O-N 3.36Å; A236-C240 WeakPolarHBondContact O-CB 3.32Å; A236-C240 PolarHBondContact O-N 3.4Å |
| 237 | R | 75.6 | Confident | 71.3 | Confident | 130 Ų | 130 | 83.5 Ų | 83.5 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.1 | -28.9 | 176.8 | -73.6 | 175 | -157.7 | 151.2 | 5.6 | 113.4 | A233 E234 L235 | A233-R237 VanDerWaalsContact O-CG 3.27Å; A233-R237 WeakPolarHBondContact O-CG 3.35Å; A233-R237 PolarHBondContact O-N 3.09Å; A233-R237 VanDerWaalsContact O-N 3.12Å; E234-R237 PolarHBondContact O-N 2.87Å; L235-R237 VanDerWaalsContact C-N 3.27Å; L235-R237 PolarHBondContact O-N 2.9Å |
| 238 | Q | 72.8 | Confident | 70.1 | Confident | 149 Ų | 149 | 82.7 Ų | 82.7 | 70% | 0.696 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.6 | -34.4 | -178.8 | -73.2 | 175.9 | 9.3 | 0 | 0 | 112 | E234 L235 | E234-Q238 WeakPolarHBondContact O-CG 3.46Å; E234-Q238 PolarHBondContact O-N 3.08Å; L235-Q238 PolarHBondContact O-N 3.22Å; L235-Q238 VanDerWaalsContact O-N 3.16Å |
| 239 | D | 63.8 | Low | 69.2 | Low | 77 Ų | 77 | 84.6 Ų | 84.6 | 41% | 0.412 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -91.6 | -14.4 | -176 | -69 | -36.6 | 0 | 0 | 0 | 114 | K203 | K203-D239 HydrophobicContact CG-CB 4.44Å |
| 240 | C | 57 | Low | 68.8 | Low | 51 Ų | 51 | 90.7 Ų | 90.7 | 35% | 0.345 | 47% | 0.473 | S | S | . | . | trans | -92.8 | 112.2 | -177.6 | -144.7 | 0 | 0 | 0 | 0 | 112 | A236 V242 | A236-C240 WeakPolarHBondContact O-CB 3.32Å; A236-C240 PolarHBondContact O-N 3.4Å; C240-V242 PolarHBondContact O-N 3.19Å; C240-V242 VanDerWaalsContact O-N 3.17Å | ||
| 241 | Q | 53 | Low | 68.5 | Low | 206 Ų | 206 | 87.9 Ų | 87.9 | 96% | 0.963 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -66.9 | -10.6 | 174.5 | -72.1 | -170.8 | -4.1 | 0 | 0 | 113.8 | ||
| 242 | V | 48.3 | Very low | 68.4 | Low | 96 Ų | 96 | 89.1 Ų | 89.1 | 58% | 0.582 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -105.8 | 120.1 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | C240 M244 | C240-V242 PolarHBondContact O-N 3.19Å; C240-V242 VanDerWaalsContact O-N 3.17Å; V242-M244 HydrophobicContact CG1-CG 4.12Å; V242-M244 PolarHBondContact O-N 2.93Å |
| 243 | K | 46.3 | Very low | 68.4 | Low | 218 Ų | 218 | 91.2 Ų | 91.2 | 95% | 0.948 | 48% | 0.481 | S | S | * | . | trans | -66.7 | 62.5 | 169.8 | -77 | -176.5 | 175.1 | 178.6 | 0 | 111.3 | ||||
| 244 | M | 47.8 | Very low | 68.8 | Low | 113 Ų | 113 | 92.5 Ų | 92.5 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | trans | -74 | 124.5 | 160.9 | -82.6 | -177.8 | 71.5 | 0 | 0 | 107.8 | V242 Y246 | V242-M244 HydrophobicContact CG1-CG 4.12Å; V242-M244 PolarHBondContact O-N 2.93Å; M244-Y246 HydrophobicContact CB-CD2 4.12Å; M244-Y246 HydrophobicContact CB-CE2 3.73Å; M244-Y246 HydrophobicContact CE-CE1 4.42Å; M244-Y246 PolarHBondContact O-N 3.49Å | ||
| 245 | S | 48.9 | Very low | 69.2 | Low | 121 Ų | 121 | 88.6 Ų | 88.6 | 85% | 0.846 | 47% | 0.465 | S | S | * | . | trans | -71.6 | 77.5 | 173.6 | 62.8 | 0 | 0 | 0 | 0 | 109.2 | G247 | S245-G247 PolarHBondContact O-N 3.25Š| ||
| 246 | Y | 52.2 | Low | 69.9 | Low | 138 Ų | 138 | 86.7 Ų | 86.7 | 54% | 0.541 | 46% | 0.455 | S | S | . | . | trans | -64.7 | 104 | 163.5 | -65.4 | -75.2 | 0 | 0 | 0 | 106.7 | M244 | M244-Y246 HydrophobicContact CB-CD2 4.12Å; M244-Y246 HydrophobicContact CB-CE2 3.73Å; M244-Y246 HydrophobicContact CE-CE1 4.42Å; M244-Y246 PolarHBondContact O-N 3.49Å | ||
| 247 | G | 61.8 | Low | 70.8 | Confident | 62 Ų | 62 | 86.4 Ų | 86.4 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 148.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | S245 | S245-G247 PolarHBondContact O-N 3.25Š|
| 248 | L | 69 | Low | 71.8 | Confident | 82 Ų | 82 | 80.6 Ų | 80.6 | 43% | 0.429 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 129.8 | 176.4 | -126.6 | 96.8 | 0 | 0 | 0 | 108.5 | H230 A233 E250 | H230-L248 HydrophobicContact CB-CD2 4.47Å; A233-L248 HydrophobicContact CB-CD1 4.44Å; L248-E250 PolarHBondContact O-N 2.96Å |
| 249 | P | 75.3 | Confident | 72.7 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 26% | 0.26 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 137.1 | 175.9 | -20 | 29.9 | 0 | 0 | 0 | 110 | L229 A251 Y254 | L229-P249 HydrophobicContact CD1-CB 4.42Å; L229-P249 HydrophobicContact CD2-CB 4.3Å; L229-P249 HydrophobicContact CD2-CG 4.41Å; P249-A251 PolarHBondContact O-N 3.31Å; P249-Y254 HydrophobicContact CB-CE2 3.71Å |
| 250 | E | 83.3 | Confident | 74 | Confident | 128 Ų | 128 | 70.2 Ų | 70.2 | 60% | 0.598 | 38% | 0.377 | S | S | * | . | trans | -71.4 | 113.8 | 179.9 | -162.3 | -168.7 | 160.2 | 0 | 0 | 109.8 | L248 S252 N253 Y254 | L248-E250 PolarHBondContact O-N 2.96Å; E250-S252 VanDerWaalsContact CG-OG 3.25Å; E250-S252 WeakPolarHBondContact CG-OG 3.34Å; E250-S252 PolarHBondContact O-N 3.26Å; E250-S252 VanDerWaalsContact O-N 3.11Å; E250-S252 PolarHBondContact OE1-OG 3.5Å; E250-N253 WeakPolarHBondContact O-CB 3.5Å; E250-N253 PolarHBondContact O-N 3.06Å; E250-Y254 WeakPolarHBondContact O-CD2 3.21Å | ||
| 251 | A | 84.3 | Confident | 75.6 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -59 | -26.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F222 L225 N226 L229 P249 N253 Y254 | F222-A251 HydrophobicContact CD2-CB 4.25Å; F222-A251 HydrophobicContact CE2-CB 3.9Å; L225-A251 HydrophobicContact CD2-CB 4.01Å; L225-A251 WeakPolarHBondContact CD2-O 3.08Å; L225-A251 HydrophobicContact CG-CB 4.09Å; N226-A251 WeakPolarHBondContact OD1-CB 3.48Å; L229-A251 HydrophobicContact CD1-CB 3.94Å; P249-A251 PolarHBondContact O-N 3.31Å; A251-N253 PolarHBondContact O-N 2.99Å; A251-N253 VanDerWaalsContact O-N 3.12Å; A251-Y254 PolarHBondContact O-N 3.45Å; A251-Y254 VanDerWaalsContact O-N 3.08Å |
| 252 | S | 86.3 | Confident | 77.4 | Confident | 46 Ų | 46 | 61 Ų | 61 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -58.4 | -23.8 | 176.1 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | E250 K295 | E250-S252 VanDerWaalsContact CG-OG 3.25Å; E250-S252 WeakPolarHBondContact CG-OG 3.34Å; E250-S252 PolarHBondContact O-N 3.26Å; E250-S252 VanDerWaalsContact O-N 3.11Å; E250-S252 PolarHBondContact OE1-OG 3.5Å; S252-K295 WeakPolarHBondContact O-CE 3.35Å; S252-K295 PolarHBondContact O-NZ 3.42Å |
| 253 | N | 87.8 | Confident | 79.6 | Confident | 81 Ų | 81 | 57 Ų | 57 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -85.4 | -8.6 | -179.9 | -66.8 | -37.5 | 0 | 0 | 0 | 113.9 | E250 A251 L294 K295 | E250-N253 WeakPolarHBondContact O-CB 3.5Å; E250-N253 PolarHBondContact O-N 3.06Å; A251-N253 PolarHBondContact O-N 2.99Å; A251-N253 VanDerWaalsContact O-N 3.12Å; N253-L294 HydrophobicContact CB-CD2 4.46Å; N253-K295 PolarHBondContact O-N 2.85Å |
| 254 | Y | 91 | Very high | 81.9 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 161.5 | -176.8 | -66.4 | -99.5 | 0 | 0 | 0 | 111.8 | L229 P249 E250 A251 P292 I293 L294 | L229-Y254 HydrophobicContact CD1-CD2 3.93Å; L229-Y254 HydrophobicContact CD1-CE2 4.32Å; L229-Y254 HydrophobicContact CD1-CG 4.33Å; L229-Y254 HydrophobicContact CD2-CD1 4.34Å; L229-Y254 HydrophobicContact CD2-CD2 4.34Å; L229-Y254 HydrophobicContact CD2-CE1 4.23Å; L229-Y254 HydrophobicContact CD2-CE2 4.25Å; L229-Y254 HydrophobicContact CD2-CG 4.4Å; P249-Y254 HydrophobicContact CB-CE2 3.71Å; E250-Y254 WeakPolarHBondContact O-CD2 3.21Å; A251-Y254 PolarHBondContact O-N 3.45Å; A251-Y254 VanDerWaalsContact O-N 3.08Å; Y254-P292 HydrophobicContact CD1-CB 4.14Å; Y254-I293 CarbonylContact C-O 3.58Å; Y254-I293 VanDerWaalsContact CA-O 3.27Å; Y254-I293 WeakPolarHBondContact CA-O 3.15Å; Y254-L294 HydrophobicContact CD1-CD2 3.99Å; Y254-L294 HydrophobicContact CD1-CG 4.12Å; Y254-L294 HydrophobicContact CD2-CD2 4.2Å; Y254-L294 HydrophobicContact CE1-CD2 3.55Å; Y254-L294 HydrophobicContact CE1-CG 3.64Å; Y254-L294 HydrophobicContact CE2-CD2 3.77Å; Y254-L294 HydrophobicContact CG-CD2 4.29Å; Y254-L294 VanDerWaalsContact CZ-CD2 3.42Å |
| 255 | L | 93.4 | Very high | 84.2 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153 | 164.8 | -67.9 | 178.4 | 0 | 0 | 0 | 109.2 | F266 I293 K295 I298 | L255-F266 HydrophobicContact CD1-CD1 3.74Å; L255-F266 HydrophobicContact CD1-CE1 3.37Å; L255-F266 HydrophobicContact CD1-CE2 4.43Å; L255-F266 HydrophobicContact CD1-CG 4.38Å; L255-F266 HydrophobicContact CD1-CZ 3.73Å; L255-F266 HydrophobicContact CD2-CD1 4.35Å; L255-I293 PolarHBondContact N-O 3.47Å; L255-I293 PolarHBondContact O-N 3.1Å; L255-K295 HydrophobicContact CD1-CG 4.06Å; L255-K295 HydrophobicContact CD2-CG 4.49Å; L255-K295 HydrophobicContact CG-CD 4.42Å; L255-K295 HydrophobicContact CG-CG 3.76Å; L255-I298 HydrophobicContact CB-CD1 4.2Å; L255-I298 HydrophobicContact CD1-CD1 3.79Å; L255-I298 HydrophobicContact CG-CD1 4.42Å |
| 256 | L | 95.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.5 | 169.1 | -67.9 | 178.5 | 0 | 0 | 0 | 109.6 | V221 A224 L225 I228 Y264 L265 L272 L290 | V221-L256 HydrophobicContact CG1-CD1 4.02Å; V221-L256 HydrophobicContact CG1-CG 4.33Å; A224-L256 HydrophobicContact CB-CD1 3.77Å; L225-L256 HydrophobicContact CB-CD1 4.46Å; L225-L256 HydrophobicContact CB-CD2 4.38Å; L225-L256 HydrophobicContact CB-CG 4.3Å; L225-L256 HydrophobicContact CD1-CD2 3.54Å; L225-L256 HydrophobicContact CD1-CG 3.97Å; I228-L256 HydrophobicContact CD1-CD2 3.58Å; L256-Y264 CarbonylContact O-C 3.48Å; L256-Y264 WeakPolarHBondContact O-CA 3.41Å; L256-L265 HydrophobicContact CB-CB 4.26Å; L256-L265 PolarHBondContact O-N 3.2Å; L256-L272 HydrophobicContact CD1-CD2 4.34Å; L256-L290 HydrophobicContact CD1-CD1 4.1Å |
| 257 | K | 94.4 | Very high | 88.1 | Confident | 22 Ų | 22 | 32.6 Ų | 32.6 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.2 | 175.1 | -176.1 | -176.4 | 170.8 | -169.9 | 0 | 110.3 | C259 S261 Y264 L290 S291 I293 D1030 | K257-C259 PolarHBondContact O-N 3.45Å; K257-S261 WeakPolarHBondContact CE-O 3.29Å; K257-Y264 HydrophobicContact CB-CD1 3.66Å; K257-Y264 HydrophobicContact CB-CE1 3.66Å; K257-Y264 HydrophobicContact CD-CD1 4.45Å; K257-Y264 HydrophobicContact CD-CE1 3.64Å; K257-Y264 HydrophobicContact CG-CD1 3.85Å; K257-Y264 HydrophobicContact CG-CE1 3.53Å; K257-L290 CarbonylContact O-C 3.19Å; K257-L290 VanDerWaalsContact O-CA 3.3Å; K257-L290 WeakPolarHBondContact O-CA 3.32Å; K257-S291 PolarHBondContact N-O 3.43Å; K257-S291 PolarHBondContact O-N 3.41Å; K257-I293 HydrophobicContact CB-CG1 3.72Å; K257-I293 HydrophobicContact CD-CD1 4.32Å; K257-I293 HydrophobicContact CD-CG1 3.83Å; K257-I293 HydrophobicContact CG-CG1 4.42Å; K257-D1030 WeakPolarHBondContact CE-OD2 3.48Å; K257-D1030 IonicContact NZ-OD2 2.92Å; K257-D1030 PolarHBondContact NZ-OD2 2.84Å |
| 258 | V | 94.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.8 | 167.6 | 178 | 0 | 0 | 0 | 0 | 108.9 | C260 S261 A263 L265 Y277 L290 | V258-C260 PolarHBondContact O-N 2.95Å; V258-S261 PolarHBondContact O-N 2.79Å; V258-S261 VanDerWaalsContact O-O 3.06Å; V258-A263 HydrophobicContact CB-CB 4.26Å; V258-A263 HydrophobicContact CG2-CB 4.1Å; V258-A263 PolarHBondContact N-O 2.96Å; V258-L265 HydrophobicContact CG2-CD1 3.92Å; V258-Y277 HydrophobicContact CB-CD1 4.38Å; V258-Y277 HydrophobicContact CB-CE1 4.48Å; V258-Y277 HydrophobicContact CG1-CD1 3.86Å; V258-Y277 HydrophobicContact CG1-CD2 3.8Å; V258-Y277 HydrophobicContact CG1-CE1 3.77Å; V258-Y277 HydrophobicContact CG1-CE2 3.71Å; V258-Y277 HydrophobicContact CG1-CG 3.88Å; V258-Y277 HydrophobicContact CG2-CD1 3.69Å; V258-Y277 HydrophobicContact CG2-CE1 4.2Å; V258-Y277 HydrophobicContact CG2-CG 4Å; V258-L290 HydrophobicContact CG2-CD2 4.4Å |
| 259 | C | 92.5 | Very high | 90.7 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 139.9 | -177.6 | -69.3 | 0 | 0 | 0 | 0 | 111.2 | K257 S261 C289 L290 L1032 | K257-C259 PolarHBondContact O-N 3.45Å; C259-S261 PolarHBondContact O-N 2.63Å; C259-C289 HydrophobicContact CB-CB 4.12Å; C259-C289 VanDerWaalsContact CB-O 3.32Å; C259-C289 WeakPolarHBondContact CB-O 3.38Å; C259-C289 PolarHBondContact N-O 2.98Å; C259-C289 PolarHBondContact SG-O 3.3Å; C259-L290 PolarHBondContact SG-O 2.79Å; C259-L1032 HydrophobicContact CB-CD1 4.1Å; C259-L1032 WeakPolarHBondContact SG-CD1 3.49Å |
| 260 | C | 90.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 9.7 | -178.4 | -60.7 | 0 | 0 | 0 | 0 | 116.1 | V258 N1028 H1037 Y1040 | V258-C260 PolarHBondContact O-N 2.95Å; C260-N1028 WeakPolarHBondContact CB-ND2 2.84Å; C260-N1028 PolarHBondContact O-ND2 3.4Å; C260-H1037 HydrophobicContact CB-CB 3.88Å; C260-Y1040 PolarHBondContact O-OH 3.43Å |
| 261 | S | 91.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 31 Ų | 31 | 12% | 0.119 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -134.4 | 159.8 | 177.3 | 164.8 | 0 | 0 | 0 | 0 | 109.9 | K257 V258 C259 A263 S1001 | K257-S261 WeakPolarHBondContact CE-O 3.29Å; V258-S261 PolarHBondContact O-N 2.79Å; V258-S261 VanDerWaalsContact O-O 3.06Å; C259-S261 PolarHBondContact O-N 2.63Å; S261-A263 VanDerWaalsContact C-N 3.25Å; S261-A263 PolarHBondContact O-N 3.31Å; S261-A263 WeakPolarHBondContact OG-CB 3.38Å; S261-A263 PolarHBondContact OG-N 3.32Å; S261-A263 VanDerWaalsContact OG-N 3.09Å; S261-S1001 VanDerWaalsContact OG-CB 3.32Å; S261-S1001 WeakPolarHBondContact OG-CB 3.29Å; S261-S1001 PolarHBondContact OG-OG 2.89Å |
| 262 | Q | 90.7 | Very high | 92.9 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -90.9 | 27.1 | 169.8 | -58.5 | -60.1 | -33.6 | 0 | 0 | 112.5 | T172 Y264 S1001 I1003 | T172-Q262 WeakPolarHBondContact CB-O 3.43Å; Q262-Y264 HydrophobicContact CB-CE2 4.43Å; Q262-Y264 VanDerWaalsContact O-CD2 3.27Å; Q262-Y264 WeakPolarHBondContact O-CD2 3.48Å; Q262-Y264 WeakPolarHBondContact O-CE2 3.45Å; Q262-Y264 PolarHBondContact OE1-OH 3.32Å; Q262-S1001 PolarHBondContact N-O 2.78Å; Q262-I1003 HydrophobicContact CG-CD1 4.49Å; Q262-I1003 HydrophobicContact CG-CG1 3.82Å |
| 263 | A | 93.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 29 Ų | 29 | 11% | 0.107 | 15% | 0.153 | C | C | . | . | trans | -92.7 | 133.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T172 A174 V258 S261 | T172-A263 WeakPolarHBondContact O-CA 3.22Å; A174-A263 HydrophobicContact CB-CB 4.2Å; V258-A263 HydrophobicContact CB-CB 4.26Å; V258-A263 HydrophobicContact CG2-CB 4.1Å; V258-A263 PolarHBondContact N-O 2.96Å; S261-A263 VanDerWaalsContact C-N 3.25Å; S261-A263 PolarHBondContact O-N 3.31Å; S261-A263 WeakPolarHBondContact OG-CB 3.38Å; S261-A263 PolarHBondContact OG-N 3.32Å; S261-A263 VanDerWaalsContact OG-N 3.09Å | ||
| 264 | Y | 95.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.4 | -178.1 | -54.8 | -100.6 | 0 | 0 | 0 | 111.7 | T172 A174 L256 K257 Q262 F266 I293 I298 | T172-Y264 HydrophobicContact CG2-CD2 4.47Å; T172-Y264 HydrophobicContact CG2-CE2 4.33Å; T172-Y264 PolarHBondContact O-N 2.98Å; A174-Y264 WeakPolarHBondContact CB-O 3.38Å; A174-Y264 PolarHBondContact N-O 3.41Å; L256-Y264 CarbonylContact O-C 3.48Å; L256-Y264 WeakPolarHBondContact O-CA 3.41Å; K257-Y264 HydrophobicContact CB-CD1 3.66Å; K257-Y264 HydrophobicContact CB-CE1 3.66Å; K257-Y264 HydrophobicContact CD-CD1 4.45Å; K257-Y264 HydrophobicContact CD-CE1 3.64Å; K257-Y264 HydrophobicContact CG-CD1 3.85Å; K257-Y264 HydrophobicContact CG-CE1 3.53Å; Q262-Y264 HydrophobicContact CB-CE2 4.43Å; Q262-Y264 VanDerWaalsContact O-CD2 3.27Å; Q262-Y264 WeakPolarHBondContact O-CD2 3.48Å; Q262-Y264 WeakPolarHBondContact O-CE2 3.45Å; Q262-Y264 PolarHBondContact OE1-OH 3.32Å; Y264-F266 WeakPolarHBondContact O-CD2 3.12Å; Y264-I293 HydrophobicContact CE1-CB 4.45Å; Y264-I293 HydrophobicContact CE1-CG1 4.49Å; Y264-I293 HydrophobicContact CE1-CG2 4.48Å; Y264-I298 HydrophobicContact CD1-CD1 3.49Å; Y264-I298 VanDerWaalsContact CD1-CD1 3.49Å; Y264-I298 HydrophobicContact CD1-CG1 4.28Å; Y264-I298 HydrophobicContact CE1-CD1 3.39Å; Y264-I298 HydrophobicContact CE1-CG1 3.66Å; Y264-I298 HydrophobicContact CE2-CG2 4.27Å; Y264-I298 HydrophobicContact CG-CD1 4.24Å |
| 265 | L | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 102.1 | 177.1 | -72.8 | 65.1 | 0 | 0 | 0 | 108.1 | A174 V221 L256 V258 L272 Y275 | A174-L265 HydrophobicContact CB-CD1 4.03Å; A174-L265 HydrophobicContact CB-CG 4.49Å; V221-L265 HydrophobicContact CG1-CB 4.13Å; V221-L265 HydrophobicContact CG2-CB 4.05Å; V221-L265 HydrophobicContact CG2-CD2 4.1Å; L256-L265 HydrophobicContact CB-CB 4.26Å; L256-L265 PolarHBondContact O-N 3.2Å; V258-L265 HydrophobicContact CG2-CD1 3.92Å; L265-L272 HydrophobicContact CD2-CD2 3.81Å; L265-Y275 HydrophobicContact CB-CE1 3.98Å; L265-Y275 HydrophobicContact CB-CE2 4.12Å; L265-Y275 HydrophobicContact CD2-CD1 4.39Å; L265-Y275 HydrophobicContact CD2-CD2 3.73Å; L265-Y275 HydrophobicContact CD2-CE2 3.92Å; L265-Y275 HydrophobicContact CD2-CG 3.96Å; L265-Y275 HydrophobicContact CG-CD1 3.76Å; L265-Y275 HydrophobicContact CG-CD2 3.94Å; L265-Y275 HydrophobicContact CG-CE1 3.71Å; L265-Y275 HydrophobicContact CG-CE2 3.91Å; L265-Y275 HydrophobicContact CG-CG 3.84Å |
| 266 | F | 90.9 | Very high | 93.9 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 14% | 0.136 | 15% | 0.145 | C | C | . | . | trans | -85.1 | -33 | -172.2 | -82.6 | -91.8 | 0 | 0 | 0 | 114.7 | I168 R169 L255 Y264 S268 Y275 | I168-F266 HydrophobicContact CG2-CE1 4.36Å; I168-F266 HydrophobicContact CG2-CZ 3.84Å; R169-F266 HydrophobicContact CB-CD1 3.91Å; R169-F266 HydrophobicContact CB-CD2 4.33Å; R169-F266 HydrophobicContact CB-CE1 3.92Å; R169-F266 HydrophobicContact CB-CE2 4.33Å; R169-F266 HydrophobicContact CB-CG 4.14Å; R169-F266 HydrophobicContact CB-CZ 4.17Å; R169-F266 HydrophobicContact CG-CB 4.29Å; R169-F266 HydrophobicContact CG-CD1 4.13Å; R169-F266 HydrophobicContact CG-CD2 4.06Å; R169-F266 HydrophobicContact CG-CE2 4.48Å; R169-F266 HydrophobicContact CG-CG 3.88Å; L255-F266 HydrophobicContact CD1-CD1 3.74Å; L255-F266 HydrophobicContact CD1-CE1 3.37Å; L255-F266 HydrophobicContact CD1-CE2 4.43Å; L255-F266 HydrophobicContact CD1-CG 4.38Å; L255-F266 HydrophobicContact CD1-CZ 3.73Å; L255-F266 HydrophobicContact CD2-CD1 4.35Å; Y264-F266 WeakPolarHBondContact O-CD2 3.12Å; F266-S268 PolarHBondContact O-N 3.04Å; F266-Y275 PolarHBondContact N-OH 3.44Å | ||
| 267 | D | 91.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 30 Ų | 30 | 19% | 0.193 | 15% | 0.154 | C | C | . | . | trans | -89.3 | 98.2 | -169.1 | -61.2 | -63.9 | 0 | 0 | 0 | 110.4 | R169 K176 V221 D269 E270 Y275 | R169-D267 IonicContact CZ-OD1 3.5Å; R169-D267 IonicContact CZ-OD2 2.9Å; R169-D267 IonicContact NH1-OD1 2.88Å; R169-D267 IonicContact NH2-OD1 3.87Å; R169-D267 PolarHBondContact NH2-OD1 3.1Å; R169-D267 IonicContact NH2-OD2 3.96Å; R169-D267 PolarHBondContact NH2-OD2 3.14Å; K176-D267 WeakPolarHBondContact CE-OD2 3.05Å; K176-D267 IonicContact NZ-OD2 3.98Å; K176-D267 PolarHBondContact NZ-OD2 2.74Å; V221-D267 WeakPolarHBondContact CB-O 3.3Å; V221-D267 WeakPolarHBondContact CG2-O 3.32Å; D267-D269 VanDerWaalsContact C-N 3.28Å; D267-D269 PolarHBondContact O-N 3.45Å; D267-E270 HydrophobicContact CB-CB 3.65Å; D267-E270 WeakPolarHBondContact O-CB 3.41Å; D267-E270 PolarHBondContact O-N 3.34Å; D267-Y275 PolarHBondContact N-OH 3.44Å | ||
| 268 | S | 92.3 | Very high | 94 | Very high | 38 Ų | 38 | 29 Ų | 29 | 27% | 0.266 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -38.5 | -175.4 | -63.9 | 0 | 0 | 0 | 0 | 114 | T220 V221 F222 F266 E270 | T220-S268 WeakPolarHBondContact CB-O 3.04Å; T220-S268 PolarHBondContact OG1-O 3.42Å; V221-S268 PolarHBondContact N-O 3.38Å; F222-S268 WeakPolarHBondContact CB-O 3.35Å; F222-S268 PolarHBondContact N-O 3.44Å; F266-S268 PolarHBondContact O-N 3.04Å; S268-E270 VanDerWaalsContact C-N 3.33Å |
| 269 | D | 95.1 | Very high | 94 | Very high | 142 Ų | 142 | 28.6 Ų | 28.6 | 76% | 0.759 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.3 | -178.1 | -57.8 | -44.8 | 0 | 0 | 0 | 113 | T220 D267 | T220-D269 WeakPolarHBondContact CG2-O 3.15Å; D267-D269 VanDerWaalsContact C-N 3.28Å; D267-D269 PolarHBondContact O-N 3.45Å |
| 270 | E | 95.8 | Very high | 93.9 | Very high | 51 Ų | 51 | 31.9 Ų | 31.9 | 24% | 0.238 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -73 | 140.9 | 179.2 | -168 | 66.8 | -105.2 | 0 | 0 | 110.8 | K176 T220 V221 D267 S268 H274 Y275 | K176-E270 HydrophobicContact CD-CG 4.29Å; K176-E270 IonicContact NZ-OE2 3.51Å; K176-E270 PolarHBondContact NZ-OE2 3.17Å; T220-E270 CarbonylContact C-O 2.92Å; T220-E270 WeakPolarHBondContact CA-O 3.34Å; T220-E270 WeakPolarHBondContact CB-O 3.33Å; V221-E270 PolarHBondContact N-O 3.44Å; D267-E270 HydrophobicContact CB-CB 3.65Å; D267-E270 WeakPolarHBondContact O-CB 3.41Å; D267-E270 PolarHBondContact O-N 3.34Å; S268-E270 VanDerWaalsContact C-N 3.33Å; E270-H274 HydrophobicContact CG-CB 4.15Å; E270-H274 IonicContact OE1-CE1 2.75Å; E270-H274 IonicContact OE1-CG 3.62Å; E270-H274 IonicContact OE1-ND1 3.17Å; E270-H274 PolarHBondContact OE1-ND1 3.24Å; E270-Y275 HydrophobicContact CB-CE2 4.08Å; E270-Y275 HydrophobicContact CG-CE2 3.85Å |
| 271 | L | 96.6 | Very high | 94 | Very high | 48 Ų | 48 | 32.2 Ų | 32.2 | 25% | 0.251 | 16% | 0.164 | S | C | . | . | B | Isolated β-bridge | trans | -65.8 | 136 | 173 | -57.1 | -177.3 | 0 | 0 | 0 | 110.2 | K218 T220 I273 H274 | K218-L271 HydrophobicContact CB-CD2 4.43Å; K218-L271 WeakPolarHBondContact O-CD2 3.26Å; T220-L271 HydrophobicContact CG2-CD2 4.17Å; L271-I273 HydrophobicContact CB-CG2 4.01Å; L271-I273 HydrophobicContact CD1-CG2 4.48Å; L271-I273 PolarHBondContact O-N 2.98Å; L271-I273 VanDerWaalsContact O-N 3.15Å; L271-H274 WeakPolarHBondContact O-CB 3.27Å; L271-H274 PolarHBondContact O-N 3.44Å |
| 272 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -53.8 | -38.9 | 176.3 | -76.4 | 160.3 | 0 | 0 | 0 | 111.8 | L193 L215 A219 V221 A224 L256 L265 H274 Y275 I278 L290 | L193-L272 HydrophobicContact CD2-CB 3.99Å; L193-L272 HydrophobicContact CD2-CD1 4.12Å; L215-L272 HydrophobicContact CD1-CD1 3.6Å; A219-L272 HydrophobicContact CB-CD1 4.17Å; A219-L272 PolarHBondContact O-N 2.9Å; A219-L272 VanDerWaalsContact O-N 3.1Å; V221-L272 HydrophobicContact CG2-CD2 4.32Å; A224-L272 HydrophobicContact CB-CD1 3.51Å; A224-L272 HydrophobicContact CB-CD2 4.18Å; A224-L272 HydrophobicContact CB-CG 4.3Å; L256-L272 HydrophobicContact CD1-CD2 4.34Å; L265-L272 HydrophobicContact CD2-CD2 3.81Å; L272-H274 PolarHBondContact O-N 3.22Å; L272-H274 VanDerWaalsContact O-N 3.13Å; L272-Y275 PolarHBondContact O-N 3.01Å; L272-Y275 VanDerWaalsContact O-N 3.11Å; L272-I278 WeakPolarHBondContact O-CB 3.36Å; L272-I278 VanDerWaalsContact O-CG1 3.27Å; L272-I278 WeakPolarHBondContact O-CG1 3.44Å; L272-L290 HydrophobicContact CD2-CD1 4.35Å |
| 273 | I | 95.3 | Very high | 94 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.051 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -66.9 | -12.5 | -177.2 | -163.7 | 58.1 | 0 | 0 | 0 | 113.9 | L179 L183 L187 L271 Y275 I278 Q279 I282 | L179-I273 HydrophobicContact CD1-CG1 4.41Å; L179-I273 HydrophobicContact CD1-CG2 4.25Å; L179-I273 HydrophobicContact CD2-CG1 3.82Å; L179-I273 HydrophobicContact CD2-CG2 4.41Å; L179-I273 HydrophobicContact CG-CG1 4.25Å; L183-I273 HydrophobicContact CD2-CD1 4.24Å; L187-I273 HydrophobicContact CD1-CD1 3.96Å; L187-I273 HydrophobicContact CD1-CG1 3.72Å; L187-I273 HydrophobicContact CD2-CD1 4.07Å; L187-I273 HydrophobicContact CD2-CG1 4.5Å; L271-I273 HydrophobicContact CB-CG2 4.01Å; L271-I273 HydrophobicContact CD1-CG2 4.48Å; L271-I273 PolarHBondContact O-N 2.98Å; L271-I273 VanDerWaalsContact O-N 3.15Å; I273-Y275 VanDerWaalsContact C-N 3.33Å; I273-I278 HydrophobicContact CD1-CG2 4.32Å; I273-Q279 HydrophobicContact CD1-CG 4.36Å; I273-Q279 WeakPolarHBondContact O-CG 3.22Å; I273-Q279 PolarHBondContact O-NE2 2.9Å; I273-I282 HydrophobicContact CD1-CD1 3.27Å |
| 274 | H | 94.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 31.9 Ų | 31.9 | 26% | 0.264 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -80.2 | -13.6 | 174.4 | -64.7 | 157.2 | 0 | 0 | 0 | 113.4 | K176 R177 L179 E270 L271 L272 | K176-H274 CarbonylContact C-O 3.32Å; K176-H274 VanDerWaalsContact CA-O 3.22Å; K176-H274 WeakPolarHBondContact CA-O 3.43Å; K176-H274 WeakPolarHBondContact CB-O 3.3Å; R177-H274 PolarHBondContact N-O 3.2Å; L179-H274 WeakPolarHBondContact CD1-CD2 3.35Å; E270-H274 HydrophobicContact CG-CB 4.15Å; E270-H274 IonicContact OE1-CE1 2.75Å; E270-H274 IonicContact OE1-CG 3.62Å; E270-H274 IonicContact OE1-ND1 3.17Å; E270-H274 PolarHBondContact OE1-ND1 3.24Å; L271-H274 WeakPolarHBondContact O-CB 3.27Å; L271-H274 PolarHBondContact O-N 3.44Å; L272-H274 PolarHBondContact O-N 3.22Å; L272-H274 VanDerWaalsContact O-N 3.13Å |
| 275 | Y | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 132 | 177 | -71.7 | -86.7 | 0 | 0 | 0 | 111.5 | A174 K176 V221 L265 F266 D267 E270 L272 I273 Y277 I278 Q279 | A174-Y275 HydrophobicContact CB-CD1 3.75Å; A174-Y275 HydrophobicContact CB-CE1 4.08Å; K176-Y275 HydrophobicContact CG-CD1 4.03Å; K176-Y275 HydrophobicContact CG-CE1 4.07Å; V221-Y275 HydrophobicContact CG2-CD2 4.4Å; V221-Y275 HydrophobicContact CG2-CE2 3.53Å; L265-Y275 HydrophobicContact CB-CE1 3.98Å; L265-Y275 HydrophobicContact CB-CE2 4.12Å; L265-Y275 HydrophobicContact CD2-CD1 4.39Å; L265-Y275 HydrophobicContact CD2-CD2 3.73Å; L265-Y275 HydrophobicContact CD2-CE2 3.92Å; L265-Y275 HydrophobicContact CD2-CG 3.96Å; L265-Y275 HydrophobicContact CG-CD1 3.76Å; L265-Y275 HydrophobicContact CG-CD2 3.94Å; L265-Y275 HydrophobicContact CG-CE1 3.71Å; L265-Y275 HydrophobicContact CG-CE2 3.91Å; L265-Y275 HydrophobicContact CG-CG 3.84Å; F266-Y275 PolarHBondContact N-OH 3.44Å; D267-Y275 PolarHBondContact N-OH 3.44Å; E270-Y275 HydrophobicContact CB-CE2 4.08Å; E270-Y275 HydrophobicContact CG-CE2 3.85Å; L272-Y275 PolarHBondContact O-N 3.01Å; L272-Y275 VanDerWaalsContact O-N 3.11Å; I273-Y275 VanDerWaalsContact C-N 3.33Å; Y275-Y277 VanDerWaalsContact C-N 3.32Å; Y275-Y277 PolarHBondContact O-N 3.24Å; Y275-I278 WeakPolarHBondContact O-CB 3.48Å; Y275-I278 PolarHBondContact O-N 3.03Å; Y275-Q279 PolarHBondContact O-N 3.12Å; Y275-Q279 VanDerWaalsContact O-N 3.1Å |
| 276 | E | 93.6 | Very high | 92.5 | Very high | 42 Ų | 42 | 40.1 Ų | 40.1 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | -174 | -173.4 | 179.8 | -175.9 | 0 | 0 | 112.1 | S175 I278 Q279 Q280 | S175-E276 WeakPolarHBondContact CB-OE2 3.4Å; S175-E276 PolarHBondContact O-N 2.88Å; E276-I278 VanDerWaalsContact C-N 3.3Å; E276-I278 PolarHBondContact O-N 3.4Å; E276-Q279 PolarHBondContact O-N 3.48Å; E276-Q280 HydrophobicContact CG-CG 4.33Å; E276-Q280 WeakPolarHBondContact O-CB 3.39Å; E276-Q280 VanDerWaalsContact O-CG 3.29Å; E276-Q280 WeakPolarHBondContact O-CG 3.34Å; E276-Q280 PolarHBondContact O-N 3.09Å; E276-Q280 PolarHBondContact OE1-NE2 2.9Å |
| 277 | Y | 94.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -42.8 | 175.5 | 169.4 | -108.5 | 0 | 0 | 0 | 112.4 | V258 Y275 Q280 C281 P288 C289 L290 | V258-Y277 HydrophobicContact CB-CD1 4.38Å; V258-Y277 HydrophobicContact CB-CE1 4.48Å; V258-Y277 HydrophobicContact CG1-CD1 3.86Å; V258-Y277 HydrophobicContact CG1-CD2 3.8Å; V258-Y277 HydrophobicContact CG1-CE1 3.77Å; V258-Y277 HydrophobicContact CG1-CE2 3.71Å; V258-Y277 HydrophobicContact CG1-CG 3.88Å; V258-Y277 HydrophobicContact CG2-CD1 3.69Å; V258-Y277 HydrophobicContact CG2-CE1 4.2Å; V258-Y277 HydrophobicContact CG2-CG 4Å; Y275-Y277 VanDerWaalsContact C-N 3.32Å; Y275-Y277 PolarHBondContact O-N 3.24Å; Y277-Q280 PolarHBondContact O-N 2.92Å; Y277-C281 WeakPolarHBondContact CE2-SG 3.13Å; Y277-C281 VanDerWaalsContact CZ-SG 3.51Å; Y277-C281 PolarHBondContact O-N 3.09Å; Y277-C281 PolarHBondContact O-SG 2.92Å; Y277-P288 HydrophobicContact CE1-CB 3.98Å; Y277-C289 PolarHBondContact OH-N 3.15Å; Y277-C289 PolarHBondContact OH-O 3.28Å; Y277-L290 HydrophobicContact CD1-CD2 4.31Å; Y277-L290 HydrophobicContact CE1-CD2 3.93Å |
| 278 | I | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 180 | -55.3 | -58.4 | 0 | 0 | 0 | 109.8 | L272 I273 Y275 E276 Q280 C281 I282 P288 L290 | L272-I278 WeakPolarHBondContact O-CB 3.36Å; L272-I278 VanDerWaalsContact O-CG1 3.27Å; L272-I278 WeakPolarHBondContact O-CG1 3.44Å; I273-I278 HydrophobicContact CD1-CG2 4.32Å; Y275-I278 WeakPolarHBondContact O-CB 3.48Å; Y275-I278 PolarHBondContact O-N 3.03Å; E276-I278 VanDerWaalsContact C-N 3.3Å; E276-I278 PolarHBondContact O-N 3.4Å; I278-Q280 PolarHBondContact O-N 3.18Å; I278-C281 PolarHBondContact O-N 3.06Å; I278-I282 HydrophobicContact CG2-CD1 3.93Å; I278-I282 WeakPolarHBondContact O-CD1 3.16Å; I278-I282 VanDerWaalsContact O-CG1 3.28Å; I278-I282 WeakPolarHBondContact O-CG1 3.48Å; I278-I282 PolarHBondContact O-N 2.97Å; I278-I282 VanDerWaalsContact O-N 3.14Å; I278-P288 HydrophobicContact CD1-CB 3.48Å; I278-P288 VanDerWaalsContact CD1-CB 3.48Å; I278-P288 HydrophobicContact CD1-CG 3.81Å; I278-P288 HydrophobicContact CG2-CG 4Å; I278-L290 HydrophobicContact CD1-CD1 4.28Å; I278-L290 HydrophobicContact CD1-CD2 4.34Å |
| 279 | Q | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.1 | -62.5 | -176 | 8.7 | 0 | 0 | 111.4 | R177 L183 I273 Y275 E276 C281 I282 E283 | R177-Q279 PolarHBondContact O-NE2 3.06Å; L183-Q279 HydrophobicContact CD2-CB 3.72Å; L183-Q279 HydrophobicContact CD2-CG 3.56Å; I273-Q279 HydrophobicContact CD1-CG 4.36Å; I273-Q279 WeakPolarHBondContact O-CG 3.22Å; I273-Q279 PolarHBondContact O-NE2 2.9Å; Y275-Q279 PolarHBondContact O-N 3.12Å; Y275-Q279 VanDerWaalsContact O-N 3.1Å; E276-Q279 PolarHBondContact O-N 3.48Å; Q279-C281 PolarHBondContact O-N 3.1Å; Q279-I282 PolarHBondContact O-N 3.47Å; Q279-E283 WeakPolarHBondContact O-CG 3.42Å; Q279-E283 PolarHBondContact O-N 2.72Å |
| 280 | Q | 92.2 | Very high | 92.8 | Very high | 77 Ų | 77 | 33.3 Ų | 33.3 | 36% | 0.36 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.3 | -49 | 178.2 | -73.8 | 175.6 | -0.5 | 0 | 0 | 110.8 | E276 Y277 I278 I282 E283 H284 | E276-Q280 HydrophobicContact CG-CG 4.33Å; E276-Q280 WeakPolarHBondContact O-CB 3.39Å; E276-Q280 VanDerWaalsContact O-CG 3.29Å; E276-Q280 WeakPolarHBondContact O-CG 3.34Å; E276-Q280 PolarHBondContact O-N 3.09Å; E276-Q280 PolarHBondContact OE1-NE2 2.9Å; Y277-Q280 PolarHBondContact O-N 2.92Å; I278-Q280 PolarHBondContact O-N 3.18Å; Q280-I282 VanDerWaalsContact C-N 3.27Å; Q280-I282 PolarHBondContact O-N 3.2Å; Q280-E283 PolarHBondContact O-N 3.49Å; Q280-H284 WeakPolarHBondContact O-CB 3.37Å; Q280-H284 PolarHBondContact O-N 3.49Å; Q280-H284 PolarHBondContact O-ND1 3.04Å |
| 281 | C | 92.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.3 | -44.7 | 176.8 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | Y277 I278 Q279 H284 Y285 Q286 P288 | Y277-C281 WeakPolarHBondContact CE2-SG 3.13Å; Y277-C281 VanDerWaalsContact CZ-SG 3.51Å; Y277-C281 PolarHBondContact O-N 3.09Å; Y277-C281 PolarHBondContact O-SG 2.92Å; I278-C281 PolarHBondContact O-N 3.06Å; Q279-C281 PolarHBondContact O-N 3.1Å; C281-H284 CarbonylContact O-C 3.58Å; C281-H284 WeakPolarHBondContact O-CA 3.5Å; C281-H284 PolarHBondContact O-N 3.11Å; C281-H284 VanDerWaalsContact O-N 3.15Å; C281-Y285 PolarHBondContact O-N 2.68Å; C281-Y285 VanDerWaalsContact O-N 3.13Å; C281-Q286 CarbonylContact C-O 3.51Å; C281-Q286 VanDerWaalsContact C-O 3.32Å; C281-Q286 HydrophobicContact CB-CB 4.42Å; C281-Q286 WeakPolarHBondContact O-CA 3.41Å; C281-Q286 PolarHBondContact O-N 3.28Å; C281-P288 HydrophobicContact CB-CB 4.42Å; C281-P288 HydrophobicContact CB-CG 3.87Å |
| 282 | I | 91.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.3 | -45.9 | -179.6 | -62.3 | 162.1 | 0 | 0 | 0 | 111.3 | L183 L186 L187 L193 I273 I278 Q279 Q280 H284 Y285 | L183-I282 HydrophobicContact CD1-CB 4.19Å; L183-I282 HydrophobicContact CD1-CG2 3.73Å; L186-I282 HydrophobicContact CD2-CG2 3.8Å; L186-I282 HydrophobicContact CG-CG2 4.43Å; L187-I282 HydrophobicContact CD2-CD1 4.32Å; L193-I282 HydrophobicContact CD1-CD1 3.62Å; L193-I282 HydrophobicContact CD1-CG1 4.27Å; I273-I282 HydrophobicContact CD1-CD1 3.27Å; I278-I282 HydrophobicContact CG2-CD1 3.93Å; I278-I282 WeakPolarHBondContact O-CD1 3.16Å; I278-I282 VanDerWaalsContact O-CG1 3.28Å; I278-I282 WeakPolarHBondContact O-CG1 3.48Å; I278-I282 PolarHBondContact O-N 2.97Å; I278-I282 VanDerWaalsContact O-N 3.14Å; Q279-I282 PolarHBondContact O-N 3.47Å; Q280-I282 VanDerWaalsContact C-N 3.27Å; Q280-I282 PolarHBondContact O-N 3.2Å; I282-H284 PolarHBondContact O-N 2.96Å; I282-Y285 PolarHBondContact O-N 2.88Å |
| 283 | E | 89.2 | Confident | 92.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -30.6 | 172.7 | -70.5 | 176.2 | -173.4 | 0 | 0 | 111.4 | R177 L183 Q279 Q280 K1068 R1183 | R177-E283 IonicContact NH2-OE1 2.71Å; R177-E283 PolarHBondContact NH2-OE1 3.15Å; R177-E283 IonicContact NH2-OE2 3.26Å; L183-E283 HydrophobicContact CD1-CG 4.24Å; Q279-E283 WeakPolarHBondContact O-CG 3.42Å; Q279-E283 PolarHBondContact O-N 2.72Å; Q280-E283 PolarHBondContact O-N 3.49Å; E283-K1068 IonicContact OE2-NZ 3.1Å; E283-K1068 PolarHBondContact OE2-NZ 3.15Å; E283-R1183 PolarHBondContact O-NH2 3.36Å |
| 284 | H | 86.3 | Confident | 91.8 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.5 | 176.8 | -66.4 | 71.5 | 0 | 0 | 0 | 114.3 | Q280 C281 I282 Q286 R1183 | Q280-H284 WeakPolarHBondContact O-CB 3.37Å; Q280-H284 PolarHBondContact O-N 3.49Å; Q280-H284 PolarHBondContact O-ND1 3.04Å; C281-H284 CarbonylContact O-C 3.58Å; C281-H284 WeakPolarHBondContact O-CA 3.5Å; C281-H284 PolarHBondContact O-N 3.11Å; C281-H284 VanDerWaalsContact O-N 3.15Å; I282-H284 PolarHBondContact O-N 2.96Å; H284-Q286 HydrophobicContact CB-CG 4.18Å; H284-Q286 PolarHBondContact O-N 3.08Å; H284-R1183 PolarHBondContact CD2-NH1 3.42Å; H284-R1183 PolarHBondContact CD2-NH2 3.5Å; H284-R1183 VanDerWaalsContact CG-NH2 3.35Å; H284-R1183 PolarHBondContact NE2-NH2 2.74Å |
| 285 | Y | 81.7 | Confident | 91.5 | Very high | 102 Ų | 102 | 34.7 Ų | 34.7 | 40% | 0.4 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 39.8 | -173.8 | -56.5 | -90.7 | 0 | 0 | 0 | 112.4 | L186 C281 I282 | L186-Y285 HydrophobicContact CD1-CE1 3.92Å; C281-Y285 PolarHBondContact O-N 2.68Å; C281-Y285 VanDerWaalsContact O-N 3.13Å; I282-Y285 PolarHBondContact O-N 2.88Å |
| 286 | Q | 85.1 | Confident | 90.9 | Very high | 81 Ų | 81 | 40.1 Ų | 40.1 | 38% | 0.379 | 19% | 0.191 | S | C | . | . | trans | -116.1 | 153.7 | 175.7 | -64.8 | -179.8 | -3.4 | 0 | 0 | 109.6 | C281 H284 | C281-Q286 CarbonylContact C-O 3.51Å; C281-Q286 VanDerWaalsContact C-O 3.32Å; C281-Q286 HydrophobicContact CB-CB 4.42Å; C281-Q286 WeakPolarHBondContact O-CA 3.41Å; C281-Q286 PolarHBondContact O-N 3.28Å; H284-Q286 HydrophobicContact CB-CG 4.18Å; H284-Q286 PolarHBondContact O-N 3.08Å | ||
| 287 | H | 90.4 | Very high | 90.5 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | trans | -85.7 | 130.5 | 171.5 | -59.5 | -54.9 | 0 | 0 | 0 | 109.3 | T194 T196 C289 | T194-H287 WeakPolarHBondContact CB-ND1 3.46Å; T194-H287 PolarHBondContact O-ND1 3.07Å; T196-H287 HydrophobicContact CG2-CB 3.86Å; H287-C289 PolarHBondContact O-N 3.37Å | ||
| 288 | P | 95.3 | Very high | 90 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | trans | -53.7 | 139.4 | 169.5 | -23.3 | 32 | 0 | 0 | 0 | 111.1 | I195 T196 Y277 I278 C281 | I195-P288 HydrophobicContact CG2-CB 4.22Å; I195-P288 HydrophobicContact CG2-CG 4.18Å; T196-P288 PolarHBondContact N-O 2.93Å; T196-P288 VanDerWaalsContact O-O 3.13Å; T196-P288 PolarHBondContact OG1-O 2.87Å; Y277-P288 HydrophobicContact CE1-CB 3.98Å; I278-P288 HydrophobicContact CD1-CB 3.48Å; I278-P288 VanDerWaalsContact CD1-CB 3.48Å; I278-P288 HydrophobicContact CD1-CG 3.81Å; I278-P288 HydrophobicContact CG2-CG 4Å; C281-P288 HydrophobicContact CB-CB 4.42Å; C281-P288 HydrophobicContact CB-CG 3.87Å | ||
| 289 | C | 95 | Very high | 89.2 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 108 | -178.4 | -167.4 | 0 | 0 | 0 | 0 | 109.1 | T196 W198 C259 Y277 H287 | T196-C289 WeakPolarHBondContact O-CA 3.29Å; T196-C289 WeakPolarHBondContact OG1-CA 3.16Å; W198-C289 VanDerWaalsContact CD1-SG 3.51Å; C259-C289 HydrophobicContact CB-CB 4.12Å; C259-C289 VanDerWaalsContact CB-O 3.32Å; C259-C289 WeakPolarHBondContact CB-O 3.38Å; C259-C289 PolarHBondContact N-O 2.98Å; C259-C289 PolarHBondContact SG-O 3.3Å; Y277-C289 PolarHBondContact OH-N 3.15Å; Y277-C289 PolarHBondContact OH-O 3.28Å; H287-C289 PolarHBondContact O-N 3.37Å |
| 290 | L | 95.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 162.3 | -172.3 | -57.6 | 177.1 | 0 | 0 | 0 | 111.5 | I195 T196 A197 W198 L256 K257 V258 C259 L272 Y277 I278 | I195-L290 HydrophobicContact CD1-CD1 4.38Å; T196-L290 PolarHBondContact O-N 3.38Å; A197-L290 CarbonylContact C-O 3.57Å; A197-L290 WeakPolarHBondContact CA-O 3.09Å; W198-L290 PolarHBondContact N-O 3.22Å; L256-L290 HydrophobicContact CD1-CD1 4.1Å; K257-L290 CarbonylContact O-C 3.19Å; K257-L290 VanDerWaalsContact O-CA 3.3Å; K257-L290 WeakPolarHBondContact O-CA 3.32Å; V258-L290 HydrophobicContact CG2-CD2 4.4Å; C259-L290 PolarHBondContact SG-O 2.79Å; L272-L290 HydrophobicContact CD2-CD1 4.35Å; Y277-L290 HydrophobicContact CD1-CD2 4.31Å; Y277-L290 HydrophobicContact CE1-CD2 3.93Å; I278-L290 HydrophobicContact CD1-CD1 4.28Å; I278-L290 HydrophobicContact CD1-CD2 4.34Å |
| 291 | S | 92.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 137.2 | 172.3 | -171 | 0 | 0 | 0 | 0 | 110.2 | W198 K257 | W198-S291 PolarHBondContact O-OG 3.35Å; K257-S291 PolarHBondContact N-O 3.43Å; K257-S291 PolarHBondContact O-N 3.41Å |
| 292 | P | 92.7 | Very high | 86.5 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128 | 175.3 | 33.3 | -32.3 | 0 | 0 | 0 | 109.4 | W198 V199 L225 I228 L229 Y254 | W198-P292 WeakPolarHBondContact O-CD 3.48Å; V199-P292 HydrophobicContact CG1-CG 4.45Å; L225-P292 HydrophobicContact CD1-CB 3.87Å; I228-P292 HydrophobicContact CG2-CB 4.28Å; I228-P292 HydrophobicContact CG2-CG 3.7Å; L229-P292 HydrophobicContact CD2-CB 4.17Å; L229-P292 HydrophobicContact CD2-CG 4.41Å; Y254-P292 HydrophobicContact CD1-CB 4.14Å |
| 293 | I | 90 | Very high | 85.4 | Confident | 43 Ų | 43 | 52 Ų | 52 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.1 | 178.5 | -59.5 | -70.8 | 0 | 0 | 0 | 109.1 | Y254 L255 K257 Y264 D297 I298 | Y254-I293 CarbonylContact C-O 3.58Å; Y254-I293 VanDerWaalsContact CA-O 3.27Å; Y254-I293 WeakPolarHBondContact CA-O 3.15Å; L255-I293 PolarHBondContact N-O 3.47Å; L255-I293 PolarHBondContact O-N 3.1Å; K257-I293 HydrophobicContact CB-CG1 3.72Å; K257-I293 HydrophobicContact CD-CD1 4.32Å; K257-I293 HydrophobicContact CD-CG1 3.83Å; K257-I293 HydrophobicContact CG-CG1 4.42Å; Y264-I293 HydrophobicContact CE1-CB 4.45Å; Y264-I293 HydrophobicContact CE1-CG1 4.49Å; Y264-I293 HydrophobicContact CE1-CG2 4.48Å; I293-D297 HydrophobicContact CG2-CB 4.35Å; I293-I298 HydrophobicContact CB-CD1 4.44Å; I293-I298 HydrophobicContact CG2-CD1 4.02Å; I293-I298 HydrophobicContact CG2-CG1 3.62Å |
| 294 | L | 88.1 | Confident | 84.3 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 32% | 0.319 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 135.2 | 174.8 | -75.4 | 166.9 | 0 | 0 | 0 | 110.7 | N253 Y254 N296 D297 I298 | N253-L294 HydrophobicContact CB-CD2 4.46Å; Y254-L294 HydrophobicContact CD1-CD2 3.99Å; Y254-L294 HydrophobicContact CD1-CG 4.12Å; Y254-L294 HydrophobicContact CD2-CD2 4.2Å; Y254-L294 HydrophobicContact CE1-CD2 3.55Å; Y254-L294 HydrophobicContact CE1-CG 3.64Å; Y254-L294 HydrophobicContact CE2-CD2 3.77Å; Y254-L294 HydrophobicContact CG-CD2 4.29Å; Y254-L294 VanDerWaalsContact CZ-CD2 3.42Å; L294-N296 PolarHBondContact O-N 3Å; L294-D297 HydrophobicContact CB-CB 4.33Å; L294-D297 PolarHBondContact O-N 3.21Å; L294-I298 PolarHBondContact O-N 2.78Å |
| 295 | K | 87.2 | Confident | 83.1 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 27% | 0.265 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.1 | -37.4 | 176.4 | -75 | 175.2 | 177.6 | 172.6 | 0 | 112.6 | S252 N253 L255 I298 K299 | S252-K295 WeakPolarHBondContact O-CE 3.35Å; S252-K295 PolarHBondContact O-NZ 3.42Å; N253-K295 PolarHBondContact O-N 2.85Å; L255-K295 HydrophobicContact CD1-CG 4.06Å; L255-K295 HydrophobicContact CD2-CG 4.49Å; L255-K295 HydrophobicContact CG-CD 4.42Å; L255-K295 HydrophobicContact CG-CG 3.76Å; K295-I298 PolarHBondContact O-N 2.79Å; K295-K299 PolarHBondContact O-N 3.15Å |
| 296 | N | 84.1 | Confident | 82.3 | Confident | 115 Ų | 115 | 52 Ų | 52 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.3 | -34.3 | 178.9 | -73.1 | -13.2 | 0 | 0 | 0 | 113.1 | L294 I298 K299 Q300 | L294-N296 PolarHBondContact O-N 3Å; N296-I298 VanDerWaalsContact C-N 3.3Å; N296-I298 PolarHBondContact O-N 2.82Å; N296-K299 WeakPolarHBondContact O-CB 3.25Å; N296-K299 PolarHBondContact O-N 3.32Å; N296-Q300 PolarHBondContact O-N 3.22Å |
| 297 | D | 84.9 | Confident | 80.8 | Confident | 78 Ų | 78 | 49.4 Ų | 49.4 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 177.1 | -65.3 | -10 | 0 | 0 | 0 | 110.8 | I293 L294 Q300 S301 | I293-D297 HydrophobicContact CG2-CB 4.35Å; L294-D297 HydrophobicContact CB-CB 4.33Å; L294-D297 PolarHBondContact O-N 3.21Å; D297-Q300 PolarHBondContact O-N 3.04Å; D297-S301 WeakPolarHBondContact O-CB 3.36Å; D297-S301 PolarHBondContact O-N 2.87Å |
| 298 | I | 84.3 | Confident | 78.7 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | 175.2 | -53.6 | 166.3 | 0 | 0 | 0 | 109.7 | I168 L255 Y264 I293 L294 K295 N296 Q300 S301 L302 | I168-I298 HydrophobicContact CG2-CB 4.5Å; I168-I298 HydrophobicContact CG2-CG2 3.42Å; I168-I298 VanDerWaalsContact CG2-CG2 3.42Å; L255-I298 HydrophobicContact CB-CD1 4.2Å; L255-I298 HydrophobicContact CD1-CD1 3.79Å; L255-I298 HydrophobicContact CG-CD1 4.42Å; Y264-I298 HydrophobicContact CD1-CD1 3.49Å; Y264-I298 VanDerWaalsContact CD1-CD1 3.49Å; Y264-I298 HydrophobicContact CD1-CG1 4.28Å; Y264-I298 HydrophobicContact CE1-CD1 3.39Å; Y264-I298 HydrophobicContact CE1-CG1 3.66Å; Y264-I298 HydrophobicContact CE2-CG2 4.27Å; Y264-I298 HydrophobicContact CG-CD1 4.24Å; I293-I298 HydrophobicContact CB-CD1 4.44Å; I293-I298 HydrophobicContact CG2-CD1 4.02Å; I293-I298 HydrophobicContact CG2-CG1 3.62Å; L294-I298 PolarHBondContact O-N 2.78Å; K295-I298 PolarHBondContact O-N 2.79Å; N296-I298 VanDerWaalsContact C-N 3.3Å; N296-I298 PolarHBondContact O-N 2.82Å; I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 PolarHBondContact O-N 2.83Å; I298-S301 PolarHBondContact O-N 2.67Å; I298-L302 VanDerWaalsContact O-CB 3.28Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 PolarHBondContact O-N 2.88Å |
| 299 | K | 79.4 | Confident | 76 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.3 | -49.4 | 173.7 | -76.2 | 170.6 | 178.7 | 176.5 | 0 | 111.1 | D165 I168 K295 N296 H303 | D165-K299 VanDerWaalsContact CG-CE 3.48Å; D165-K299 WeakPolarHBondContact OD1-CE 3.47Å; D165-K299 IonicContact OD1-NZ 3.95Å; D165-K299 PolarHBondContact OD1-NZ 3.1Å; D165-K299 IonicContact OD2-NZ 2.72Å; D165-K299 PolarHBondContact OD2-NZ 3.5Å; I168-K299 HydrophobicContact CD1-CB 3.97Å; I168-K299 HydrophobicContact CD1-CD 4.43Å; I168-K299 HydrophobicContact CD1-CG 3.2Å; K295-K299 PolarHBondContact O-N 3.15Å; N296-K299 WeakPolarHBondContact O-CB 3.25Å; N296-K299 PolarHBondContact O-N 3.32Å; K299-H303 WeakPolarHBondContact O-CB 3.35Å; K299-H303 PolarHBondContact O-N 2.94Å |
| 300 | Q | 76.4 | Confident | 73.2 | Confident | 122 Ų | 122 | 56.2 Ų | 56.2 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.2 | -43.2 | -178.6 | -165.8 | 176.9 | 16.4 | 0 | 0 | 112.3 | N296 D297 I298 H303 N304 | N296-Q300 PolarHBondContact O-N 3.22Å; D297-Q300 PolarHBondContact O-N 3.04Å; I298-Q300 VanDerWaalsContact C-N 3.31Å; I298-Q300 PolarHBondContact O-N 2.83Å; Q300-H303 PolarHBondContact O-N 2.96Å; Q300-N304 WeakPolarHBondContact O-CB 3.4Å; Q300-N304 PolarHBondContact O-N 3.21Å; Q300-N304 PolarHBondContact O-ND2 3.14Å; Q300-N304 PolarHBondContact O-OD1 2.84Å |
| 301 | S | 75.1 | Confident | 70.2 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | D297 I298 N304 C305 | D297-S301 WeakPolarHBondContact O-CB 3.36Å; D297-S301 PolarHBondContact O-N 2.87Å; I298-S301 PolarHBondContact O-N 2.67Å; S301-N304 PolarHBondContact O-N 3.43Å; S301-C305 PolarHBondContact O-N 3.26Å; S301-C305 PolarHBondContact O-SG 3.1Å |
| 302 | L | 71.9 | Confident | 67.4 | Low | 27 Ų | 27 | 64.3 Ų | 64.3 | 14% | 0.141 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.2 | -37.6 | -178.5 | -156.6 | 125.6 | 0 | 0 | 0 | 111.1 | I168 L171 T172 I298 N304 C305 L306 | I168-L302 HydrophobicContact CG1-CD2 4.21Å; L171-L302 HydrophobicContact CB-CD1 4.4Å; L171-L302 HydrophobicContact CD1-CD2 3.82Å; T172-L302 HydrophobicContact CG2-CD1 3.49Å; T172-L302 VanDerWaalsContact CG2-CD1 3.49Å; I298-L302 VanDerWaalsContact O-CB 3.28Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 PolarHBondContact O-N 2.88Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 3.36Å; L302-C305 PolarHBondContact O-N 3.44Å; L302-L306 HydrophobicContact CD2-CD1 3.66Å; L302-L306 HydrophobicContact CD2-CG 4.34Å; L302-L306 WeakPolarHBondContact O-CB 3.29Å; L302-L306 VanDerWaalsContact O-CG 3.26Å; L302-L306 WeakPolarHBondContact O-CG 3.37Å; L302-L306 PolarHBondContact O-N 3.03Å |
| 303 | H | 68.8 | Low | 64.6 | Low | 87 Ų | 87 | 65.2 Ų | 65.2 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 169.5 | -175.8 | 82.2 | 0 | 0 | 0 | 111.2 | K299 Q300 L306 N307 I325 | K299-H303 WeakPolarHBondContact O-CB 3.35Å; K299-H303 PolarHBondContact O-N 2.94Å; Q300-H303 PolarHBondContact O-N 2.96Å; H303-L306 PolarHBondContact O-N 3.3Å; H303-N307 PolarHBondContact CD2-ND2 3.47Å; H303-N307 VanDerWaalsContact CD2-ND2 3.35Å; H303-N307 PolarHBondContact CE1-ND2 2.65Å; H303-N307 PolarHBondContact NE2-ND2 3.19Å; H303-N307 WeakPolarHBondContact O-CB 3.43Å; H303-N307 PolarHBondContact O-N 2.91Å; H303-I325 WeakPolarHBondContact ND1-CD1 3.25Å |
| 304 | N | 65.2 | Low | 62 | Low | 73 Ų | 73 | 64.3 Ų | 64.3 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.3 | -69 | -15.7 | 0 | 0 | 0 | 112.2 | Q300 S301 L302 L306 N307 E308 | Q300-N304 WeakPolarHBondContact O-CB 3.4Å; Q300-N304 PolarHBondContact O-N 3.21Å; Q300-N304 PolarHBondContact O-ND2 3.14Å; Q300-N304 PolarHBondContact O-OD1 2.84Å; S301-N304 PolarHBondContact O-N 3.43Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 3.36Å; N304-L306 VanDerWaalsContact C-N 3.3Å; N304-L306 PolarHBondContact O-N 3.46Å; N304-N307 CarbonylContact O-C 3.5Å; N304-N307 PolarHBondContact O-N 2.77Å; N304-E308 WeakPolarHBondContact O-CB 3.46Å; N304-E308 WeakPolarHBondContact O-CG 3.41Å; N304-E308 PolarHBondContact O-N 2.89Å |
| 305 | C | 62.1 | Low | 59.6 | Low | 74 Ų | 74 | 63.9 Ų | 63.9 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 177.5 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | S301 L302 | S301-C305 PolarHBondContact O-N 3.26Å; S301-C305 PolarHBondContact O-SG 3.1Å; L302-C305 PolarHBondContact O-N 3.44Å |
| 306 | L | 63.8 | Low | 56.6 | Low | 19 Ų | 19 | 67.6 Ų | 67.6 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -76.9 | -30.2 | 176.9 | -65.1 | 178.1 | 0 | 0 | 0 | 112.2 | L302 H303 N304 P943 | L302-L306 HydrophobicContact CD2-CD1 3.66Å; L302-L306 HydrophobicContact CD2-CG 4.34Å; L302-L306 WeakPolarHBondContact O-CB 3.29Å; L302-L306 VanDerWaalsContact O-CG 3.26Å; L302-L306 WeakPolarHBondContact O-CG 3.37Å; L302-L306 PolarHBondContact O-N 3.03Å; H303-L306 PolarHBondContact O-N 3.3Å; N304-L306 VanDerWaalsContact C-N 3.3Å; N304-L306 PolarHBondContact O-N 3.46Å; L306-P943 HydrophobicContact CD1-CB 3.67Å; L306-P943 HydrophobicContact CD1-CG 4.08Å; L306-P943 HydrophobicContact CD2-CB 3.57Å; L306-P943 HydrophobicContact CG-CB 4.25Å |
| 307 | N | 53.2 | Low | 54 | Low | 27 Ų | 27 | 68.9 Ų | 68.9 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -92.1 | -17.9 | 179.4 | -81 | -13.1 | 0 | 0 | 0 | 115.2 | H303 N304 Y309 N310 K311 I325 | H303-N307 PolarHBondContact CD2-ND2 3.47Å; H303-N307 VanDerWaalsContact CD2-ND2 3.35Å; H303-N307 PolarHBondContact CE1-ND2 2.65Å; H303-N307 PolarHBondContact NE2-ND2 3.19Å; H303-N307 WeakPolarHBondContact O-CB 3.43Å; H303-N307 PolarHBondContact O-N 2.91Å; N304-N307 CarbonylContact O-C 3.5Å; N304-N307 PolarHBondContact O-N 2.77Å; N307-Y309 PolarHBondContact O-N 3.22Å; N307-N310 VanDerWaalsContact C-N 3.32Å; N307-N310 CarbonylContact O-C 3.41Å; N307-N310 VanDerWaalsContact O-C 3.24Å; N307-N310 WeakPolarHBondContact O-CA 3.46Å; N307-N310 WeakPolarHBondContact O-CB 3.1Å; N307-N310 PolarHBondContact O-N 2.69Å; N307-N310 PolarHBondContact OD1-ND2 2.9Å; N307-K311 PolarHBondContact O-N 2.95Å; N307-I325 WeakPolarHBondContact OD1-CD1 3.5Å |
| 308 | E | 46.1 | Very low | 51.3 | Low | 131 Ų | 131 | 72.6 Ų | 72.6 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.4 | -28.5 | 168.4 | -85.4 | -177.8 | 174.1 | 0 | 0 | 110.1 | N304 N310 K311 N312 | N304-E308 WeakPolarHBondContact O-CB 3.46Å; N304-E308 WeakPolarHBondContact O-CG 3.41Å; N304-E308 PolarHBondContact O-N 2.89Å; E308-N310 VanDerWaalsContact C-N 3.34Å; E308-K311 PolarHBondContact O-N 3.49Å; E308-N312 PolarHBondContact O-N 2.91Å |
| 309 | Y | 38.9 | Very low | 48.6 | Very low | 53 Ų | 53 | 80.8 Ų | 80.8 | 21% | 0.208 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.6 | 164.7 | -164.7 | -110.8 | 0 | 0 | 0 | 112.3 | N307 K311 N312 Y315 V946 | N307-Y309 PolarHBondContact O-N 3.22Å; Y309-K311 VanDerWaalsContact C-N 3.33Å; Y309-N312 WeakPolarHBondContact O-CB 3.15Å; Y309-N312 PolarHBondContact O-N 2.83Å; Y309-Y315 AromaticContact CD1-CE2 3.75Å; Y309-Y315 HydrophobicContact CD1-CE2 3.75Å; Y309-Y315 AromaticContact CD1-CZ 3.82Å; Y309-Y315 HydrophobicContact CE1-CE1 4.42Å; Y309-Y315 AromaticContact CE1-CE2 3.7Å; Y309-Y315 HydrophobicContact CE1-CE2 3.7Å; Y309-Y315 AromaticContact CE1-CZ 3.43Å; Y309-Y315 VanDerWaalsContact CE1-CZ 3.43Å; Y309-Y315 WeakPolarHBondContact CE1-OH 3.3Å; Y309-Y315 HydrophobicContact CG-CE2 4.32Å; Y309-Y315 WeakPolarHBondContact O-CD2 3.28Å; Y309-Y315 WeakPolarHBondContact O-CE2 3.24Å; Y309-Y315 PolarHBondContact OH-OH 2.97Å; Y309-V946 HydrophobicContact CD1-CB 4.37Å; Y309-V946 HydrophobicContact CD1-CG1 3.52Å; Y309-V946 HydrophobicContact CD1-CG2 3.88Å; Y309-V946 HydrophobicContact CD2-CG1 3.65Å; Y309-V946 HydrophobicContact CE1-CB 4.47Å; Y309-V946 HydrophobicContact CE1-CG1 3.83Å; Y309-V946 HydrophobicContact CE1-CG2 3.91Å; Y309-V946 HydrophobicContact CE2-CG1 4.01Å; Y309-V946 HydrophobicContact CG-CG1 3.39Å |
| 310 | N | 36.8 | Very low | 46 | Very low | 64 Ų | 64 | 85.4 Ų | 85.4 | 34% | 0.342 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.3 | 170.5 | -69.2 | -31.9 | 0 | 0 | 0 | 114.7 | N307 E308 N312 Y315 | N307-N310 VanDerWaalsContact C-N 3.32Å; N307-N310 CarbonylContact O-C 3.41Å; N307-N310 VanDerWaalsContact O-C 3.24Å; N307-N310 WeakPolarHBondContact O-CA 3.46Å; N307-N310 WeakPolarHBondContact O-CB 3.1Å; N307-N310 PolarHBondContact O-N 2.69Å; N307-N310 PolarHBondContact OD1-ND2 2.9Å; E308-N310 VanDerWaalsContact C-N 3.34Å; N310-N312 VanDerWaalsContact C-N 3.33Å; N310-Y315 VanDerWaalsContact CA-CB 3.46Å; N310-Y315 HydrophobicContact CB-CG 4.35Å; N310-Y315 VanDerWaalsContact O-CB 3.29Å; N310-Y315 WeakPolarHBondContact O-CB 3.31Å; N310-Y315 WeakPolarHBondContact OD1-CD1 3.38Å |
| 311 | K | 33.5 | Very low | 43.6 | Very low | 145 Ų | 145 | 87 Ų | 87 | 63% | 0.63 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.8 | 170.8 | -73.2 | -176.2 | 177.8 | 178.5 | 0 | 112.2 | N307 E308 Y309 | N307-K311 PolarHBondContact O-N 2.95Å; E308-K311 PolarHBondContact O-N 3.49Å; Y309-K311 VanDerWaalsContact C-N 3.33Å |
| 312 | N | 34 | Very low | 41.3 | Very low | 41 Ų | 41 | 92.4 Ų | 92.4 | 22% | 0.219 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -59.7 | 132.2 | 156.3 | -130.3 | -13.8 | 0 | 0 | 0 | 106.7 | E308 Y309 N310 I314 Y315 | E308-N312 PolarHBondContact O-N 2.91Å; Y309-N312 WeakPolarHBondContact O-CB 3.15Å; Y309-N312 PolarHBondContact O-N 2.83Å; N310-N312 VanDerWaalsContact C-N 3.33Å; N312-I314 HydrophobicContact CB-CB 4.31Å; N312-I314 HydrophobicContact CB-CD1 4.16Å; N312-I314 HydrophobicContact CB-CG1 4.37Å; N312-I314 PolarHBondContact O-N 2.94Å; N312-Y315 HydrophobicContact CB-CD2 4.12Å; N312-Y315 HydrophobicContact CB-CE2 4.34Å; N312-Y315 PolarHBondContact O-N 2.86Å |
| 313 | P | 32.4 | Very low | 39 | Very low | 32 Ų | 32 | 95.4 Ų | 95.4 | 21% | 0.208 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -60.2 | -9 | -176.4 | -13.2 | 25.8 | 0 | 0 | 0 | 113.1 | D84 N86 Y315 | D84-P313 VanDerWaalsContact OD1-CB 3.28Å; D84-P313 WeakPolarHBondContact OD1-CB 3.43Å; D84-P313 VanDerWaalsContact OD1-CG 3.32Å; D84-P313 WeakPolarHBondContact OD1-CG 3.48Å; N86-P313 HydrophobicContact CB-CB 4.45Å; N86-P313 HydrophobicContact CB-CG 3.78Å; N86-P313 WeakPolarHBondContact ND2-CG 3.44Å; P313-Y315 PolarHBondContact O-N 2.93Å; P313-Y315 VanDerWaalsContact O-N 3.17Å |
| 314 | I | 36.7 | Very low | 37.1 | Very low | 23 Ų | 23 | 100.1 Ų | 100.1 | 12% | 0.118 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -49.4 | -24.2 | 161.3 | -59.7 | 165 | 0 | 0 | 0 | 113.7 | D84 N115 N312 | D84-I314 HydrophobicContact CB-CB 4.47Å; D84-I314 HydrophobicContact CB-CD1 4.24Å; D84-I314 HydrophobicContact CB-CG1 3.37Å; D84-I314 WeakPolarHBondContact OD2-CG1 3.32Å; N115-I314 WeakPolarHBondContact ND2-CG2 3.45Å; N312-I314 HydrophobicContact CB-CB 4.31Å; N312-I314 HydrophobicContact CB-CD1 4.16Å; N312-I314 HydrophobicContact CB-CG1 4.37Å; N312-I314 PolarHBondContact O-N 2.94Å |
| 315 | Y | 36.6 | Very low | 35.4 | Very low | 52 Ų | 52 | 99.8 Ų | 99.8 | 20% | 0.204 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -134.2 | 7.7 | -166.7 | -56.2 | -83.8 | 0 | 0 | 0 | 115.4 | N115 Y309 N310 N312 P313 | N115-Y315 HydrophobicContact CB-CE1 4.3Å; N115-Y315 VanDerWaalsContact ND2-CE1 3.33Å; N115-Y315 WeakPolarHBondContact ND2-CE1 3.15Å; Y309-Y315 AromaticContact CD1-CE2 3.75Å; Y309-Y315 HydrophobicContact CD1-CE2 3.75Å; Y309-Y315 AromaticContact CD1-CZ 3.82Å; Y309-Y315 HydrophobicContact CE1-CE1 4.42Å; Y309-Y315 AromaticContact CE1-CE2 3.7Å; Y309-Y315 HydrophobicContact CE1-CE2 3.7Å; Y309-Y315 AromaticContact CE1-CZ 3.43Å; Y309-Y315 VanDerWaalsContact CE1-CZ 3.43Å; Y309-Y315 WeakPolarHBondContact CE1-OH 3.3Å; Y309-Y315 HydrophobicContact CG-CE2 4.32Å; Y309-Y315 WeakPolarHBondContact O-CD2 3.28Å; Y309-Y315 WeakPolarHBondContact O-CE2 3.24Å; Y309-Y315 PolarHBondContact OH-OH 2.97Å; N310-Y315 VanDerWaalsContact CA-CB 3.46Å; N310-Y315 HydrophobicContact CB-CG 4.35Å; N310-Y315 VanDerWaalsContact O-CB 3.29Å; N310-Y315 WeakPolarHBondContact O-CB 3.31Å; N310-Y315 WeakPolarHBondContact OD1-CD1 3.38Å; N312-Y315 HydrophobicContact CB-CD2 4.12Å; N312-Y315 HydrophobicContact CB-CE2 4.34Å; N312-Y315 PolarHBondContact O-N 2.86Å; P313-Y315 PolarHBondContact O-N 2.93Å; P313-Y315 VanDerWaalsContact O-N 3.17Å |
| 316 | Q | 25.1 | Very low | 33.9 | Very low | 139 Ų | 139 | 98.3 Ų | 98.3 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | trans | -88.6 | 107.4 | 175 | -78.2 | -169.9 | -7.8 | 0 | 0 | 111.2 | ||||
| 317 | L | 28.2 | Very low | 32.2 | Very low | 143 Ų | 143 | 100.6 Ų | 100.6 | 75% | 0.749 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -151.3 | 114 | 148 | -96.8 | 166.4 | 0 | 0 | 0 | 109.8 | ||
| 318 | N | 29.3 | Very low | 31.3 | Very low | 156 Ų | 156 | 102 Ų | 102 | 83% | 0.834 | 52% | 0.518 | S | S | * | . | trans | 49.4 | 97.8 | 166.5 | -64.7 | -12.8 | 0 | 0 | 0 | 119.7 | ||||
| 319 | H | 26.7 | Very low | 30.4 | Very low | 177 Ų | 177 | 103.5 Ų | 103.5 | 82% | 0.819 | 52% | 0.522 | S | S | * | . | trans | -86 | 101.5 | 160 | -85 | -73.8 | 0 | 0 | 0 | 110.6 | ||||
| 320 | D | 25.1 | Very low | 29.9 | Very low | 153 Ų | 153 | 103.6 Ų | 103.6 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | trans | -140.7 | 79.8 | 149.2 | -88.6 | -32.3 | 0 | 0 | 0 | 106.7 | ||||
| 321 | N | 26.9 | Very low | 29.7 | Very low | 155 Ų | 155 | 103.2 Ų | 103.2 | 83% | 0.829 | 53% | 0.531 | S | S | * | . | trans | 165.5 | 111 | 148.1 | -86.1 | -37.8 | 0 | 0 | 0 | 110.4 | S323 | N321-S323 PolarHBondContact O-N 2.9Å; N321-S323 VanDerWaalsContact O-N 3.08Å | ||
| 322 | D | 25.6 | Very low | 29.6 | Very low | 170 Ų | 170 | 99 Ų | 99 | 91% | 0.909 | 52% | 0.515 | S | S | * | . | trans | -61.2 | 97.7 | 169.1 | -73.6 | -46.6 | 0 | 0 | 0 | 111.2 | ||||
| 323 | S | 24.8 | Very low | 29.2 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 63% | 0.629 | 53% | 0.533 | S | S | * | . | trans | -164.4 | 107.9 | 153.2 | 85.9 | 0 | 0 | 0 | 0 | 112.5 | N321 | N321-S323 PolarHBondContact O-N 2.9Å; N321-S323 VanDerWaalsContact O-N 3.08Å | ||
| 324 | W | 28.5 | Very low | 29 | Very low | 185 Ų | 185 | 104.9 Ų | 104.9 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | trans | 67.2 | 103.6 | 152.7 | -45.5 | 98.9 | 0 | 0 | 0 | 120.9 | ||||
| 325 | I | 30.5 | Very low | 28.5 | Very low | 66 Ų | 66 | 110.3 Ų | 110.3 | 34% | 0.338 | 57% | 0.568 | S | S | . | * | S | Bend | -55.1 | 128.9 | 127.6 | -56.4 | 178.3 | 0 | 0 | 0 | 105.4 | H303 N307 | H303-I325 WeakPolarHBondContact ND1-CD1 3.25Å; N307-I325 WeakPolarHBondContact OD1-CD1 3.5Å | |
| 326 | I | 30.4 | Very low | 28.4 | Very low | 43 Ų | 43 | 109.9 Ų | 109.9 | 22% | 0.221 | 58% | 0.575 | C | S | . | * | trans | 94.9 | 71.2 | -162.4 | -49.5 | 157.4 | 0 | 0 | 0 | 111.3 | N160 L167 | N160-I326 HydrophobicContact CB-CG2 3.76Å; L167-I326 HydrophobicContact CD2-CD1 4.31Å; L167-I326 HydrophobicContact CD2-CG1 4.31Å | ||
| 327 | S | 27.6 | Very low | 28.4 | Very low | 67 Ų | 67 | 108.3 Ų | 108.3 | 47% | 0.469 | 58% | 0.579 | S | S | . | * | trans | -166 | 99 | 157.1 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | K329 | S327-K329 PolarHBondContact O-N 2.82Å; S327-K329 WeakPolarHBondContact OG-CB 3.47Å; S327-K329 WeakPolarHBondContact OG-CD 3.49Å; S327-K329 WeakPolarHBondContact OG-CG 3.28Å; S327-K329 PolarHBondContact OG-N 2.9Å | ||
| 328 | P | 34 | Very low | 28.4 | Very low | 57 Ų | 57 | 108.4 Ų | 108.4 | 37% | 0.37 | 58% | 0.581 | S | S | . | * | trans | -78.6 | 61.9 | 157.1 | 35 | -29.5 | 0 | 0 | 0 | 107.8 | L332 | P328-L332 HydrophobicContact CB-CB 4.41Å; P328-L332 HydrophobicContact CB-CD1 3.45Å; P328-L332 VanDerWaalsContact CB-CD1 3.45Å; P328-L332 HydrophobicContact CG-CD1 4.02Å; P328-L332 WeakPolarHBondContact O-CB 3.42Å | ||
| 329 | K | 26.4 | Very low | 28.4 | Very low | 162 Ų | 162 | 110.1 Ų | 110.1 | 70% | 0.704 | 58% | 0.581 | S | S | * | * | trans | -89.9 | 3.7 | 176.3 | -80.2 | -178.1 | 172.2 | -179.3 | 0 | 114.3 | S327 | S327-K329 PolarHBondContact O-N 2.82Å; S327-K329 WeakPolarHBondContact OG-CB 3.47Å; S327-K329 WeakPolarHBondContact OG-CD 3.49Å; S327-K329 WeakPolarHBondContact OG-CG 3.28Å; S327-K329 PolarHBondContact OG-N 2.9Å | ||
| 330 | S | 30.2 | Very low | 28.5 | Very low | 55 Ų | 55 | 109.1 Ų | 109.1 | 39% | 0.385 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -130.9 | 77.3 | 171.2 | 56.5 | 0 | 0 | 0 | 0 | 110.1 | T109 | T109-S330 WeakPolarHBondContact CB-OG 3.31Å; T109-S330 VanDerWaalsContact CG2-CB 3.48Å; T109-S330 WeakPolarHBondContact CG2-O 3.23Å; T109-S330 WeakPolarHBondContact CG2-OG 3.32Å; T109-S330 WeakPolarHBondContact OG1-CB 3.48Å; T109-S330 PolarHBondContact OG1-OG 2.84Å |
| 331 | T | 32 | Very low | 28.6 | Very low | 56 Ų | 56 | 111.8 Ų | 111.8 | 34% | 0.344 | 59% | 0.586 | S | S | . | * | S | Bend | trans | 163.1 | -4.2 | 156.4 | 16.3 | 0 | 0 | 0 | 0 | 111.5 | I113 | I113-T331 HydrophobicContact CD1-CG2 3.38Å; I113-T331 HydrophobicContact CG1-CG2 4.48Å |
| 332 | L | 31.7 | Very low | 28.8 | Very low | 56 Ų | 56 | 109.8 Ų | 109.8 | 29% | 0.293 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -118.3 | 14.9 | -164.4 | -99.4 | 149.5 | 0 | 0 | 0 | 115.3 | P328 | P328-L332 HydrophobicContact CB-CB 4.41Å; P328-L332 HydrophobicContact CB-CD1 3.45Å; P328-L332 VanDerWaalsContact CB-CD1 3.45Å; P328-L332 HydrophobicContact CG-CD1 4.02Å; P328-L332 WeakPolarHBondContact O-CB 3.42Å |
| 333 | N | 26 | Very low | 28.9 | Very low | 112 Ų | 112 | 109 Ų | 109 | 60% | 0.599 | 58% | 0.58 | S | S | * | * | trans | -109.9 | 2.5 | -171.3 | -103.2 | 3.3 | 0 | 0 | 0 | 117.6 | ||||
| 334 | T | 26.4 | Very low | 29.2 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -88.1 | -3.1 | -176 | -9.7 | 0 | 0 | 0 | 0 | 115.3 | N378 | T334-N378 PolarHBondContact OG1-ND2 2.93Š|
| 335 | Y | 27.9 | Very low | 29.9 | Very low | 136 Ų | 136 | 108 Ų | 108 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -135.5 | 15.9 | -179.7 | -84.4 | -77.6 | 0 | 0 | 0 | 115.4 | N374 | Y335-N374 HydrophobicContact CE2-CB 3.71Å; Y335-N374 VanDerWaalsContact CZ-CB 3.43Å; Y335-N374 WeakPolarHBondContact OH-CB 3.27Å; Y335-N374 PolarHBondContact OH-ND2 2.73Å; Y335-N374 VanDerWaalsContact OH-ND2 3.07Å |
| 336 | A | 33.2 | Very low | 30.6 | Very low | 43 Ų | 43 | 107.8 Ų | 107.8 | 36% | 0.355 | 59% | 0.586 | S | S | . | * | trans | -107.9 | 6.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 337 | S | 26.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 74% | 0.741 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 6.5 | -169 | 51.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 338 | N | 28.1 | Very low | 33.6 | Very low | 146 Ų | 146 | 112.4 Ų | 112.4 | 78% | 0.781 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 5 | -177.5 | -82.8 | -14.8 | 0 | 0 | 0 | 117 | ||
| 339 | F | 29.2 | Very low | 35.3 | Very low | 191 Ų | 191 | 111.6 Ų | 111.6 | 84% | 0.838 | 60% | 0.597 | S | S | * | * | trans | -146.8 | 86.6 | 174.9 | -76.6 | -83.9 | 0 | 0 | 0 | 111 | ||||
| 340 | D | 28.7 | Very low | 37.7 | Very low | 156 Ų | 156 | 106 Ų | 106 | 83% | 0.834 | 57% | 0.572 | S | S | * | * | trans | -158.7 | 98 | 159.6 | -109.5 | -26 | 0 | 0 | 0 | 112.6 | ||||
| 341 | K | 27.3 | Very low | 40 | Very low | 209 Ų | 209 | 107.8 Ų | 107.8 | 91% | 0.909 | 57% | 0.574 | S | S | * | * | trans | -152.1 | 80.1 | 152 | -78.5 | -165.6 | -178.6 | 174.5 | 0 | 109.8 | ||||
| 342 | S | 29.5 | Very low | 42.1 | Very low | 114 Ų | 114 | 109 Ų | 109 | 80% | 0.797 | 58% | 0.575 | S | S | * | * | trans | 176.6 | 123.1 | 137.8 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 343 | N | 29.2 | Very low | 44.3 | Very low | 152 Ų | 152 | 106.3 Ų | 106.3 | 81% | 0.813 | 56% | 0.562 | S | S | * | * | trans | -2 | 140.7 | 160.6 | -74.8 | -12.9 | 0 | 0 | 0 | 122.6 | ||||
| 344 | N | 31.1 | Very low | 46.8 | Very low | 147 Ų | 147 | 103 Ų | 103 | 79% | 0.786 | 54% | 0.543 | S | S | * | . | trans | 42.6 | 90.9 | 149.8 | -76.8 | -4.8 | 0 | 0 | 0 | 116.7 | ||||
| 345 | N | 42 | Very low | 49.4 | Very low | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 54% | 0.535 | S | S | * | . | trans | -171 | 99 | 150.7 | -89.6 | -29.3 | 0 | 0 | 0 | 112.3 | I347 D348 | N345-I347 PolarHBondContact O-N 2.8Å; N345-D348 HydrophobicContact CB-CB 3.6Å; N345-D348 PolarHBondContact O-N 3.12Å | ||
| 346 | S | 45.9 | Very low | 51.8 | Low | 62 Ų | 62 | 96.5 Ų | 96.5 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -23 | 162.7 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | D348 | S346-D348 VanDerWaalsContact C-N 3.32Å |
| 347 | I | 51.2 | Low | 54 | Low | 129 Ų | 129 | 94.5 Ų | 94.5 | 66% | 0.662 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67 | -32.5 | 174.8 | -65.6 | 171.1 | 0 | 0 | 0 | 111.4 | N345 Q351 | N345-I347 PolarHBondContact O-N 2.8Å; I347-Q351 PolarHBondContact O-N 2.64Å |
| 348 | D | 68.6 | Low | 56.4 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 42% | 0.417 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.6 | -37.5 | -175.3 | -170.4 | 18.1 | 0 | 0 | 0 | 111.5 | N345 S346 Y350 Q351 Q352 | N345-D348 HydrophobicContact CB-CB 3.6Å; N345-D348 PolarHBondContact O-N 3.12Å; S346-D348 VanDerWaalsContact C-N 3.32Å; D348-Y350 PolarHBondContact O-N 2.83Å; D348-Q351 PolarHBondContact O-N 2.74Å; D348-Q352 WeakPolarHBondContact O-CB 3.47Å; D348-Q352 WeakPolarHBondContact O-CG 3.12Å; D348-Q352 PolarHBondContact O-N 3.19Å; D348-Q352 PolarHBondContact OD1-NE2 3.44Å; D348-Q352 VanDerWaalsContact OD1-NE2 3.1Å; D348-Q352 PolarHBondContact OD2-NE2 3.35Å |
| 349 | L | 69.3 | Low | 58.3 | Low | 40 Ų | 40 | 88.3 Ų | 88.3 | 21% | 0.209 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 179.6 | -76.5 | 177.7 | 0 | 0 | 0 | 114.3 | A158 Q161 Q351 Q352 L353 | A158-L349 HydrophobicContact CB-CB 4.1Å; A158-L349 HydrophobicContact CB-CD1 4.12Å; Q161-L349 VanDerWaalsContact CD-CD1 3.42Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; L349-Q352 PolarHBondContact O-N 3.48Å; L349-L353 WeakPolarHBondContact O-CB 3.28Å; L349-L353 PolarHBondContact O-N 3.18Å |
| 350 | Y | 77.8 | Confident | 59.6 | Low | 46 Ų | 46 | 82.5 Ų | 82.5 | 18% | 0.18 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 175.5 | -82.1 | -71.2 | 0 | 0 | 0 | 111.3 | H155 A158 D348 L353 E354 Y900 K904 | H155-Y350 PolarHBondContact CD2-OH 2.97Å; A158-Y350 HydrophobicContact CB-CD2 4.16Å; A158-Y350 HydrophobicContact CB-CE1 4.45Å; A158-Y350 HydrophobicContact CB-CE2 3.69Å; D348-Y350 PolarHBondContact O-N 2.83Å; Y350-L353 PolarHBondContact O-N 2.78Å; Y350-E354 PolarHBondContact O-N 3.02Å; Y350-Y900 HydrophobicContact CD1-CE2 4.01Å; Y350-Y900 HydrophobicContact CE1-CE2 4.38Å; Y350-K904 HydrophobicContact CE1-CG 4.31Å |
| 351 | Q | 78.9 | Confident | 60.4 | Low | 91 Ų | 91 | 79.4 Ų | 79.4 | 43% | 0.425 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 172.3 | -170.4 | 63.4 | 52.6 | 0 | 0 | 111.5 | I347 D348 L349 L353 E354 N355 | I347-Q351 PolarHBondContact O-N 2.64Å; D348-Q351 PolarHBondContact O-N 2.74Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; Q351-L353 VanDerWaalsContact C-N 3.32Å; Q351-L353 PolarHBondContact O-N 3.12Å; Q351-E354 PolarHBondContact O-N 3.48Å; Q351-N355 PolarHBondContact NE2-OD1 2.99Å; Q351-N355 VanDerWaalsContact O-CB 3.25Å; Q351-N355 WeakPolarHBondContact O-CB 3.35Å; Q351-N355 PolarHBondContact O-N 3.49Å; Q351-N355 PolarHBondContact O-ND2 3.08Å; Q351-N355 PolarHBondContact O-OD1 3.31Å |
| 352 | Q | 74.7 | Confident | 61 | Low | 81 Ų | 81 | 77.8 Ų | 77.8 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 173.6 | -73.9 | 171.1 | 25.5 | 0 | 0 | 111.6 | D348 L349 N355 F356 | D348-Q352 WeakPolarHBondContact O-CB 3.47Å; D348-Q352 WeakPolarHBondContact O-CG 3.12Å; D348-Q352 PolarHBondContact O-N 3.19Å; D348-Q352 PolarHBondContact OD1-NE2 3.44Å; D348-Q352 VanDerWaalsContact OD1-NE2 3.1Å; D348-Q352 PolarHBondContact OD2-NE2 3.35Å; L349-Q352 PolarHBondContact O-N 3.48Å; Q352-N355 PolarHBondContact O-N 3.05Å; Q352-F356 VanDerWaalsContact O-CB 3.31Å; Q352-F356 WeakPolarHBondContact O-CB 3.31Å; Q352-F356 PolarHBondContact O-N 3.49Å |
| 353 | L | 79 | Confident | 61.3 | Low | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 175.1 | -176.7 | 54.9 | 0 | 0 | 0 | 111 | V151 M154 L349 Y350 Q351 N355 F356 L357 Y900 | V151-L353 HydrophobicContact CG1-CD1 4.38Å; M154-L353 HydrophobicContact CB-CD1 3.85Å; M154-L353 HydrophobicContact CB-CD2 4.31Å; M154-L353 HydrophobicContact CE-CB 3.97Å; M154-L353 HydrophobicContact CE-CD1 3.92Å; M154-L353 HydrophobicContact CG-CD1 4.42Å; M154-L353 HydrophobicContact SD-CD1 3.77Å; L349-L353 WeakPolarHBondContact O-CB 3.28Å; L349-L353 PolarHBondContact O-N 3.18Å; Y350-L353 PolarHBondContact O-N 2.78Å; Q351-L353 VanDerWaalsContact C-N 3.32Å; Q351-L353 PolarHBondContact O-N 3.12Å; L353-N355 VanDerWaalsContact C-N 3.31Å; L353-N355 PolarHBondContact O-N 2.9Å; L353-F356 HydrophobicContact CD1-CD1 4.22Å; L353-F356 WeakPolarHBondContact O-CB 3.43Å; L353-F356 PolarHBondContact O-N 3.14Å; L353-L357 HydrophobicContact CD1-CD1 4.32Å; L353-L357 HydrophobicContact CD1-CG 4.35Å; L353-L357 HydrophobicContact CG-CD1 4.09Å; L353-L357 WeakPolarHBondContact O-CD1 3.43Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 3.4Å; L353-Y900 HydrophobicContact CD2-CD2 3.54Å; L353-Y900 HydrophobicContact CD2-CE2 3.6Å; L353-Y900 HydrophobicContact CG-CD2 3.93Å; L353-Y900 HydrophobicContact CG-CE2 4Å |
| 354 | E | 79.2 | Confident | 61.9 | Low | 42 Ų | 42 | 72.7 Ų | 72.7 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 174.4 | -74.7 | -179.1 | -168.8 | 0 | 0 | 111.8 | Y350 Q351 F356 L357 I358 Y866 Y900 K904 | Y350-E354 PolarHBondContact O-N 3.02Å; Q351-E354 PolarHBondContact O-N 3.48Å; E354-F356 VanDerWaalsContact C-N 3.34Å; E354-F356 PolarHBondContact O-N 3.08Å; E354-L357 PolarHBondContact O-N 3.04Å; E354-L357 VanDerWaalsContact O-N 3.15Å; E354-I358 WeakPolarHBondContact O-CB 3.46Å; E354-I358 VanDerWaalsContact O-CG1 3.3Å; E354-I358 WeakPolarHBondContact O-CG1 3.31Å; E354-I358 PolarHBondContact O-N 3.4Å; E354-Y866 HydrophobicContact CG-CE1 4.38Å; E354-Y900 VanDerWaalsContact CD-OH 3.31Å; E354-Y900 HydrophobicContact CG-CE1 3.62Å; E354-Y900 VanDerWaalsContact CG-OH 3.28Å; E354-Y900 WeakPolarHBondContact CG-OH 3.41Å; E354-Y900 PolarHBondContact OE1-OH 2.75Å; E354-K904 IonicContact OE1-NZ 3.88Å; E354-K904 PolarHBondContact OE1-NZ 3.05Å |
| 355 | N | 80.2 | Confident | 62.3 | Low | 67 Ų | 67 | 71.2 Ų | 71.2 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 175.5 | -70.5 | -15.9 | 0 | 0 | 0 | 112.1 | Q351 Q352 L353 L357 N359 | Q351-N355 PolarHBondContact NE2-OD1 2.99Å; Q351-N355 VanDerWaalsContact O-CB 3.25Å; Q351-N355 WeakPolarHBondContact O-CB 3.35Å; Q351-N355 PolarHBondContact O-N 3.49Å; Q351-N355 PolarHBondContact O-ND2 3.08Å; Q351-N355 PolarHBondContact O-OD1 3.31Å; Q352-N355 PolarHBondContact O-N 3.05Å; L353-N355 VanDerWaalsContact C-N 3.31Å; L353-N355 PolarHBondContact O-N 2.9Å; N355-L357 VanDerWaalsContact C-N 3.33Å; N355-N359 WeakPolarHBondContact O-CB 3.28Å; N355-N359 PolarHBondContact O-N 2.83Å; N355-N359 PolarHBondContact O-ND2 2.69Å |
| 356 | F | 78.5 | Confident | 61.8 | Low | 18 Ų | 18 | 72.3 Ų | 72.3 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 173.3 | 166.1 | -100.6 | 0 | 0 | 0 | 111.3 | R150 V151 M154 Q352 L353 E354 | R150-F356 HydrophobicContact CG-CZ 4.34Å; V151-F356 HydrophobicContact CG2-CE1 4.02Å; M154-F356 HydrophobicContact SD-CD1 4.34Å; M154-F356 HydrophobicContact SD-CG 4.45Å; Q352-F356 VanDerWaalsContact O-CB 3.31Å; Q352-F356 WeakPolarHBondContact O-CB 3.31Å; Q352-F356 PolarHBondContact O-N 3.49Å; L353-F356 HydrophobicContact CD1-CD1 4.22Å; L353-F356 WeakPolarHBondContact O-CB 3.43Å; L353-F356 PolarHBondContact O-N 3.14Å; E354-F356 VanDerWaalsContact C-N 3.34Å; E354-F356 PolarHBondContact O-N 3.08Å |
| 357 | L | 79.2 | Confident | 61.3 | Low | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 179.9 | -63.4 | 164 | 0 | 0 | 0 | 111.6 | V151 L353 E354 N355 Y866 R896 Y900 | V151-L357 HydrophobicContact CG2-CD2 3.83Å; L353-L357 HydrophobicContact CD1-CD1 4.32Å; L353-L357 HydrophobicContact CD1-CG 4.35Å; L353-L357 HydrophobicContact CG-CD1 4.09Å; L353-L357 WeakPolarHBondContact O-CD1 3.43Å; L353-L357 WeakPolarHBondContact O-CG 3.45Å; L353-L357 PolarHBondContact O-N 3.4Å; E354-L357 PolarHBondContact O-N 3.04Å; E354-L357 VanDerWaalsContact O-N 3.15Å; N355-L357 VanDerWaalsContact C-N 3.33Å; L357-Y866 WeakPolarHBondContact CB-OH 3.43Å; L357-R896 HydrophobicContact CD2-CB 3.7Å; L357-R896 HydrophobicContact CD2-CG 4.44Å; L357-R896 PolarHBondContact O-NH1 3.21Å; L357-R896 PolarHBondContact O-NH2 3.02Å; L357-Y900 HydrophobicContact CD1-CD1 3.67Å; L357-Y900 HydrophobicContact CD1-CD2 3.84Å; L357-Y900 HydrophobicContact CD1-CE1 4.34Å; L357-Y900 HydrophobicContact CD1-CG 3.37Å |
| 358 | I | 77.5 | Confident | 60.5 | Low | 63 Ų | 63 | 70.6 Ų | 70.6 | 32% | 0.323 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -77.3 | -37.5 | -177.5 | -64.9 | 166.9 | 0 | 0 | 0 | 112 | E354 H360 Y866 | E354-I358 WeakPolarHBondContact O-CB 3.46Å; E354-I358 VanDerWaalsContact O-CG1 3.3Å; E354-I358 WeakPolarHBondContact O-CG1 3.31Å; E354-I358 PolarHBondContact O-N 3.4Å; I358-H360 PolarHBondContact O-N 3.09Å; I358-Y866 HydrophobicContact CG1-CE2 4.43Å |
| 359 | N | 66.6 | Low | 58.9 | Low | 59 Ų | 59 | 74 Ų | 74 | 32% | 0.316 | 37% | 0.369 | S | S | . | . | trans | -94.2 | 72.3 | -176.5 | -62.7 | -70.7 | 0 | 0 | 0 | 111.6 | N355 D361 | N355-N359 WeakPolarHBondContact O-CB 3.28Å; N355-N359 PolarHBondContact O-N 2.83Å; N355-N359 PolarHBondContact O-ND2 2.69Å; N359-D361 PolarHBondContact O-N 3.13Å | ||
| 360 | H | 57 | Low | 57.2 | Low | 68 Ų | 68 | 80.2 Ų | 80.2 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.4 | -179.4 | -164.4 | -106.7 | 0 | 0 | 0 | 113.9 | I358 E859 R896 | I358-H360 PolarHBondContact O-N 3.09Å; H360-E859 WeakPolarHBondContact CB-OE1 3.14Å; H360-R896 PolarHBondContact CD2-NH2 3.35Å |
| 361 | D | 46.9 | Very low | 55.2 | Low | 92 Ų | 92 | 80.6 Ų | 80.6 | 49% | 0.492 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -13.3 | -162.7 | -120.7 | -16.6 | 0 | 0 | 0 | 115.6 | N359 K365 | N359-D361 PolarHBondContact O-N 3.13Å; D361-K365 IonicContact OD1-NZ 2.73Å; D361-K365 PolarHBondContact OD1-NZ 3.47Å |
| 362 | K | 39.8 | Very low | 53.3 | Low | 174 Ų | 174 | 78.8 Ų | 78.8 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -22 | -169 | -80.4 | -175.6 | 179.1 | 174.6 | 0 | 115.7 | ||
| 363 | F | 35.1 | Very low | 51.4 | Low | 141 Ų | 141 | 80.3 Ų | 80.3 | 62% | 0.618 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -106.5 | -24.5 | -170.7 | -81.8 | -82.6 | 0 | 0 | 0 | 115.2 | ||
| 364 | D | 41.6 | Very low | 49.3 | Very low | 19 Ų | 19 | 83.7 Ų | 83.7 | 10% | 0.102 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -105.8 | -9.9 | -165.6 | -65.2 | -70.5 | 0 | 0 | 0 | 116.9 | R147 R150 C366 E367 | R147-D364 IonicContact CZ-OD1 2.87Å; R147-D364 IonicContact CZ-OD2 3.4Å; R147-D364 IonicContact NH1-OD1 3.66Å; R147-D364 PolarHBondContact NH1-OD1 3.42Å; R147-D364 IonicContact NH1-OD2 2.97Å; R147-D364 PolarHBondContact NH1-OD2 2.89Å; R147-D364 IonicContact NH2-OD2 3.92Å; R147-D364 PolarHBondContact NH2-OD2 3.44Å; R150-D364 IonicContact NH1-OD1 2.87Å; D364-C366 PolarHBondContact O-N 2.91Å; D364-E367 PolarHBondContact O-N 3.38Å |
| 365 | K | 39.6 | Very low | 47.4 | Very low | 116 Ų | 116 | 84.6 Ų | 84.6 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -1.3 | 177.7 | -78.2 | 171.9 | 176.2 | 148.9 | 0 | 114 | D361 | D361-K365 IonicContact OD1-NZ 2.73Å; D361-K365 PolarHBondContact OD1-NZ 3.47Å |
| 366 | C | 31.7 | Very low | 45.3 | Very low | 129 Ų | 129 | 83.7 Ų | 83.7 | 87% | 0.872 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | -9.6 | 178.1 | -82.5 | 0 | 0 | 0 | 0 | 115.3 | D364 | D364-C366 PolarHBondContact O-N 2.91Š|
| 367 | E | 34.8 | Very low | 43.2 | Very low | 101 Ų | 101 | 88.8 Ų | 88.8 | 47% | 0.472 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -108.9 | 4.5 | -168.8 | -74.6 | -172.9 | 163 | 0 | 0 | 115.5 | D364 D369 | D364-E367 PolarHBondContact O-N 3.38Å; E367-D369 PolarHBondContact O-N 2.99Å |
| 368 | T | 35.1 | Very low | 41.1 | Very low | 55 Ų | 55 | 92.6 Ų | 92.6 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.2 | -160.4 | 51.4 | 0 | 0 | 0 | 0 | 119 | W143 I372 | W143-T368 HydrophobicContact CH2-CG2 3.98Å; W143-T368 HydrophobicContact CZ3-CG2 4.05Å; T368-I372 WeakPolarHBondContact O-CD1 3.26Å |
| 369 | D | 34.5 | Very low | 39 | Very low | 150 Ų | 150 | 94.6 Ų | 94.6 | 80% | 0.802 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | -19.3 | 174.9 | -72 | -31.6 | 0 | 0 | 0 | 115.5 | E367 | E367-D369 PolarHBondContact O-N 2.99Š|
| 370 | E | 33.9 | Very low | 37.4 | Very low | 170 Ų | 170 | 93.8 Ų | 93.8 | 79% | 0.794 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -20.8 | -175.9 | -77.1 | -176.1 | 163 | 0 | 0 | 115.2 | ||
| 371 | C | 35.7 | Very low | 36.1 | Very low | 54 Ų | 54 | 95.4 Ų | 95.4 | 37% | 0.365 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -91.6 | -13.2 | -177.4 | -69.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 372 | I | 39 | Very low | 35.4 | Very low | 52 Ų | 52 | 94.9 Ų | 94.9 | 27% | 0.267 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -78.7 | -24.2 | -171.3 | -63.4 | 179.8 | 0 | 0 | 0 | 112.6 | T368 | T368-I372 WeakPolarHBondContact O-CD1 3.26Š|
| 373 | D | 34.3 | Very low | 34.9 | Very low | 113 Ų | 113 | 95 Ų | 95 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -83.2 | -28.3 | -179 | -71.6 | -20.5 | 0 | 0 | 0 | 112.9 | I375 | D373-I375 PolarHBondContact O-N 3.08Š|
| 374 | N | 36.1 | Very low | 34.4 | Very low | 73 Ų | 73 | 92 Ų | 92 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5 | -173.2 | -69.8 | -53.3 | 0 | 0 | 0 | 115.8 | Y335 | Y335-N374 HydrophobicContact CE2-CB 3.71Å; Y335-N374 VanDerWaalsContact CZ-CB 3.43Å; Y335-N374 WeakPolarHBondContact OH-CB 3.27Å; Y335-N374 PolarHBondContact OH-ND2 2.73Å; Y335-N374 VanDerWaalsContact OH-ND2 3.07Å |
| 375 | I | 39.5 | Very low | 33.6 | Very low | 61 Ų | 61 | 99.6 Ų | 99.6 | 31% | 0.313 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -25.8 | 178.5 | -62.4 | 173.7 | 0 | 0 | 0 | 110.9 | L146 D373 | L146-I375 HydrophobicContact CD2-CD1 3.98Å; L146-I375 HydrophobicContact CD2-CG2 3.85Å; D373-I375 PolarHBondContact O-N 3.08Å |
| 376 | D | 35.6 | Very low | 33.1 | Very low | 47 Ų | 47 | 100.4 Ų | 100.4 | 25% | 0.251 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -31.9 | -175.5 | -80.3 | -22 | 0 | 0 | 0 | 112.8 | K142 N378 F379 I380 | K142-D376 IonicContact NZ-OD2 3.17Å; K142-D376 PolarHBondContact NZ-OD2 3.29Å; D376-N378 VanDerWaalsContact C-N 3.27Å; D376-N378 PolarHBondContact O-N 3.14Å; D376-F379 PolarHBondContact O-N 2.91Å; D376-I380 HydrophobicContact CB-CD1 3.88Å; D376-I380 HydrophobicContact CB-CG1 4.31Å; D376-I380 VanDerWaalsContact CG-CD1 3.48Å; D376-I380 VanDerWaalsContact O-CB 3.25Å; D376-I380 WeakPolarHBondContact O-CB 3.42Å; D376-I380 WeakPolarHBondContact O-CG1 3.48Å; D376-I380 PolarHBondContact O-N 2.76Å; D376-I380 WeakPolarHBondContact OD1-CD1 3.42Å |
| 377 | D | 33.6 | Very low | 32.8 | Very low | 125 Ų | 125 | 102 Ų | 102 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21.7 | -174.9 | -76.3 | -13.8 | 0 | 0 | 0 | 114.6 | ||
| 378 | N | 34.5 | Very low | 32.4 | Very low | 82 Ų | 82 | 101 Ų | 101 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -8.4 | 177.9 | -75 | -47.7 | 0 | 0 | 0 | 114.3 | T334 D376 | T334-N378 PolarHBondContact OG1-ND2 2.93Å; D376-N378 VanDerWaalsContact C-N 3.27Å; D376-N378 PolarHBondContact O-N 3.14Å |
| 379 | F | 35.1 | Very low | 32 | Very low | 105 Ų | 105 | 105.5 Ų | 105.5 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.4 | -10.7 | 178.6 | -89.5 | -87.5 | 0 | 0 | 0 | 113.1 | D376 | D376-F379 PolarHBondContact O-N 2.91Š|
| 380 | I | 32.8 | Very low | 31.8 | Very low | 43 Ų | 43 | 108.2 Ų | 108.2 | 22% | 0.221 | 56% | 0.562 | C | S | . | * | S | Bend | trans | -132.9 | 34.4 | -168.5 | -45.6 | -170 | 0 | 0 | 0 | 112.3 | I132 D376 | I132-I380 HydrophobicContact CG2-CD1 4.26Å; D376-I380 HydrophobicContact CB-CD1 3.88Å; D376-I380 HydrophobicContact CB-CG1 4.31Å; D376-I380 VanDerWaalsContact CG-CD1 3.48Å; D376-I380 VanDerWaalsContact O-CB 3.25Å; D376-I380 WeakPolarHBondContact O-CB 3.42Å; D376-I380 WeakPolarHBondContact O-CG1 3.48Å; D376-I380 PolarHBondContact O-N 2.76Å; D376-I380 WeakPolarHBondContact OD1-CD1 3.42Å |
| 381 | D | 29.2 | Very low | 31.7 | Very low | 101 Ų | 101 | 107.1 Ų | 107.1 | 54% | 0.54 | 56% | 0.561 | S | S | . | * | trans | -170.5 | 107 | 151.1 | -131.4 | -24.5 | 0 | 0 | 0 | 110.9 | R383 | D381-R383 VanDerWaalsContact C-N 3.32Š| ||
| 382 | C | 31.1 | Very low | 31.3 | Very low | 82 Ų | 82 | 111.4 Ų | 111.4 | 55% | 0.554 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -97.5 | 21.9 | 171.3 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | L110 | L110-C382 HydrophobicContact CD1-CB 4.08Å; L110-C382 HydrophobicContact CD2-CB 3.74Å; L110-C382 WeakPolarHBondContact CD2-SG 3.43Å |
| 383 | R | 30 | Very low | 30.9 | Very low | 176 Ų | 176 | 116 Ų | 116 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -117.3 | 7.6 | 180 | -76.4 | -172.8 | 177.3 | 164.7 | 4.5 | 115.3 | E79 D381 | E79-R383 IonicContact OE2-NH2 3.42Å; D381-R383 VanDerWaalsContact C-N 3.32Å |
| 384 | S | 24.8 | Very low | 30.4 | Very low | 78 Ų | 78 | 116.4 Ų | 116.4 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -126.6 | 17.6 | -174.7 | 57.8 | 0 | 0 | 0 | 0 | 116.7 | ||
| 385 | F | 25.4 | Very low | 29.9 | Very low | 179 Ų | 179 | 118.5 Ų | 118.5 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -114.5 | 64.4 | 169.5 | -93.8 | -87.6 | 0 | 0 | 0 | 111.6 | ||||
| 386 | V | 28.3 | Very low | 29.3 | Very low | 132 Ų | 132 | 119.6 Ų | 119.6 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | trans | -136.9 | 79.9 | 160.5 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 387 | D | 26.1 | Very low | 28.9 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 170.8 | 69.6 | 152.6 | -88.3 | -17.9 | 0 | 0 | 0 | 109.6 | ||
| 388 | S | 25.7 | Very low | 28.5 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 57% | 0.566 | 68% | 0.679 | S | S | * | * | trans | -159.9 | 124.1 | 156.7 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 389 | N | 26.3 | Very low | 28.1 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | 99.2 | 79.7 | 174.4 | -51.8 | -18.2 | 0 | 0 | 0 | 115.7 | ||||
| 390 | K | 31.5 | Very low | 27.6 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 90% | 0.904 | 70% | 0.702 | S | S | * | * | trans | -124.5 | 130.2 | 131.9 | -84.7 | -170.6 | 177.3 | 179.5 | 0 | 108.8 | ||||
| 391 | D | 32 | Very low | 27.4 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | -70 | 156.3 | -170.5 | -59.6 | -60 | 0 | 0 | 0 | 114.7 | ||||
| 392 | D | 26 | Very low | 27.2 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -3.3 | 124.6 | 151.6 | -64.6 | -37.1 | 0 | 0 | 0 | 118.6 | ||||
| 393 | D | 30.2 | Very low | 27 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | 178.3 | 117.3 | 109.7 | -98 | -26.5 | 0 | 0 | 0 | 113.4 | |||||
| 394 | T | 25.4 | Very low | 26.8 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 20 | 125.9 | 149.4 | 57.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 395 | S | 25.7 | Very low | 27.6 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | 127.5 | 118 | 115.5 | 69.9 | 0 | 0 | 0 | 0 | 119 | |||||
| 396 | A | 25.4 | Very low | 27.6 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | trans | 49.4 | 118.3 | 142 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 397 | F | 27.7 | Very low | 27.5 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | 179.5 | 160.6 | 98.6 | -109.3 | -87.6 | 0 | 0 | 0 | 111.8 | |||||
| 398 | N | 24.8 | Very low | 27.6 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | trans | -76.3 | 177.3 | -163.8 | -63.5 | -35.4 | 0 | 0 | 0 | 116.5 | ||||
| 399 | D | 26.7 | Very low | 27.6 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | 87.4 | 143.2 | 147.3 | -62.1 | -26 | 0 | 0 | 0 | 116.9 | ||||
| 400 | I | 25.6 | Very low | 27.8 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -174 | 153.4 | -3.4 | -107 | 165.1 | 0 | 0 | 0 | 105 | ||||
| 401 | D | 27.4 | Very low | 27.6 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | 68.7 | 125.8 | 153.9 | -69.1 | -18 | 0 | 0 | 0 | 125.6 | ||||
| 402 | S | 25.1 | Very low | 27.4 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -54.4 | 151.8 | 151.8 | 52.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 403 | A | 26.4 | Very low | 27.3 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | 161.2 | 111.8 | 126.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 404 | H | 27.4 | Very low | 27.1 | Very low | 180 Ų | 180 | 123.2 Ų | 123.2 | 83% | 0.833 | 72% | 0.72 | S | S | * | * | 72.5 | 162 | 84.1 | -90 | -47.3 | 0 | 0 | 0 | 113.5 | |||||
| 405 | P | 39.8 | Very low | 27.3 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | cis | -152.2 | -166.4 | -43.2 | 38.4 | -18.5 | 0 | 0 | 0 | 115.2 | ||||
| 406 | V | 25.8 | Very low | 27.3 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | 82.7 | 140.5 | 133.7 | 145.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 407 | L | 26 | Very low | 27.6 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | cis | -167.7 | 170.3 | -5.6 | -89.3 | 158.7 | 0 | 0 | 0 | 104.5 | ||||
| 408 | L | 28.1 | Very low | 27.5 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | -179.4 | 124.4 | 61.7 | -85.7 | 171.8 | 0 | 0 | 0 | 104.3 | |||||
| 409 | S | 27 | Very low | 27.7 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | 70.4 | 148.1 | 76.1 | 80.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 410 | E | 29.2 | Very low | 27.7 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | -154.2 | 154.1 | 31.6 | -60.8 | 177.8 | 143 | 0 | 0 | 108.2 | ||||
| 411 | N | 29.4 | Very low | 27.9 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | -164.2 | 124.8 | 71.8 | -100.7 | -40.1 | 0 | 0 | 0 | 114.8 | |||||
| 412 | C | 26 | Very low | 27.9 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -9.2 | 137.5 | 151.8 | -76.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 413 | S | 24.7 | Very low | 28 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 78.8 | 144.7 | 64 | 96.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 414 | S | 25.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | cis | -170.9 | 157.8 | 7.2 | 45.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 415 | K | 31 | Very low | 28.1 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -170.1 | 129.7 | 134.8 | -104.9 | 177.6 | -172.2 | -176.8 | 0 | 111.8 | ||||
| 416 | N | 25.3 | Very low | 27.5 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -70.6 | 136 | -178.5 | -65.9 | -32 | 0 | 0 | 0 | 112.9 | ||||
| 417 | V | 31.1 | Very low | 27.6 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -147.2 | 135.7 | 143.8 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 418 | E | 25.7 | Very low | 27.7 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -44.3 | 129.6 | 173.6 | -63 | 167.6 | 143.2 | 0 | 0 | 113.2 | ||||
| 419 | G | 29 | Very low | 27.7 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -166.1 | 108 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 420 | R | 27.3 | Very low | 27.8 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -0.1 | 114.3 | 159.8 | -78 | 172 | 167.9 | 169.5 | -5 | 116 | K422 | R420-K422 PolarHBondContact O-N 2.57Š| ||
| 421 | Q | 29 | Very low | 27.8 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -59.6 | 102.5 | 156.3 | -80 | 179.7 | -23 | 0 | 0 | 109.3 | K423 | Q421-K423 PolarHBondContact O-N 3.18Š| ||
| 422 | K | 27 | Very low | 27.9 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -71.7 | 110.8 | 156.1 | -85.3 | -178.2 | 172.4 | -177.8 | 0 | 107.3 | R420 S424 | R420-K422 PolarHBondContact O-N 2.57Å; K422-S424 PolarHBondContact O-N 2.95Å | ||
| 423 | K | 28.7 | Very low | 28.4 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -55.3 | 125.3 | 153.9 | -79.5 | 178.2 | 172.6 | -179 | 0 | 107.5 | Q421 E425 | Q421-K423 PolarHBondContact O-N 3.18Å; K423-E425 PolarHBondContact O-N 3.31Å; K423-E425 VanDerWaalsContact O-N 3.11Å | ||
| 424 | S | 27.8 | Very low | 29.3 | Very low | 120 Ų | 120 | 158.4 Ų | 158.4 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -68.4 | 98 | 161.5 | 51.6 | 0 | 0 | 0 | 0 | 107.6 | K422 S426 | K422-S424 PolarHBondContact O-N 2.95Å; S424-S426 PolarHBondContact O-N 2.89Å | ||
| 425 | E | 27.7 | Very low | 30.7 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -67.6 | 121.6 | 167.8 | -75.1 | 173.7 | 164.2 | 0 | 0 | 109.3 | K423 | K423-E425 PolarHBondContact O-N 3.31Å; K423-E425 VanDerWaalsContact O-N 3.11Å | ||
| 426 | S | 26.5 | Very low | 32.6 | Very low | 94 Ų | 94 | 157.3 Ų | 157.3 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | -65.9 | 127.7 | 153.7 | 46 | 0 | 0 | 0 | 0 | 108.7 | S424 F428 | S424-S426 PolarHBondContact O-N 2.89Å; S426-F428 VanDerWaalsContact C-N 3.35Å; S426-F428 PolarHBondContact O-N 2.98Å | ||
| 427 | P | 28.5 | Very low | 35.4 | Very low | 112 Ų | 112 | 154 Ų | 154 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -94.8 | 66.8 | 178.3 | 37.1 | -30.9 | 0 | 0 | 0 | 109.8 | ||
| 428 | F | 28.1 | Very low | 38.2 | Very low | 202 Ų | 202 | 148.8 Ų | 148.8 | 89% | 0.886 | 76% | 0.761 | S | S | * | * | trans | -151.8 | 69 | 159.7 | -82.2 | -72 | 0 | 0 | 0 | 108.4 | S426 | S426-F428 VanDerWaalsContact C-N 3.35Å; S426-F428 PolarHBondContact O-N 2.98Å | ||
| 429 | T | 28.6 | Very low | 41.3 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | -105.2 | 110.4 | 155.2 | 27.3 | 0 | 0 | 0 | 0 | 106.6 | T431 | T429-T431 VanDerWaalsContact C-N 3.25Å; T429-T431 PolarHBondContact O-N 3.08Å | ||
| 430 | L | 27.5 | Very low | 44.2 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | trans | -59.2 | 89.2 | 168.6 | -84.8 | 149.1 | 0 | 0 | 0 | 108.7 | ||||
| 431 | T | 29.3 | Very low | 47.1 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | trans | -87.9 | 119.8 | 150 | 45.7 | 0 | 0 | 0 | 0 | 105.5 | T429 D433 | T429-T431 VanDerWaalsContact C-N 3.25Å; T429-T431 PolarHBondContact O-N 3.08Å; T431-D433 PolarHBondContact O-N 3.01Å | ||
| 432 | S | 33.3 | Very low | 49.9 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 65% | 0.645 | S | S | * | * | trans | -71.4 | 68.5 | 175.2 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | R434 | S432-R434 PolarHBondContact O-N 3.36Š| ||
| 433 | D | 34.6 | Very low | 52.9 | Low | 143 Ų | 143 | 116.9 Ų | 116.9 | 77% | 0.765 | 61% | 0.609 | S | S | * | * | trans | -63.9 | 104.9 | 157.4 | -100.2 | -13.8 | 0 | 0 | 0 | 106.3 | T431 Q435 | T431-D433 PolarHBondContact O-N 3.01Å; D433-Q435 PolarHBondContact O-N 2.87Å | ||
| 434 | R | 44.4 | Very low | 55.4 | Low | 246 Ų | 246 | 113.5 Ų | 113.5 | 93% | 0.928 | 61% | 0.609 | S | S | * | * | trans | -61.4 | 82.1 | 167.5 | -79.6 | -176.8 | 173.7 | 179.2 | -1.2 | 107.9 | S432 Q436 | S432-R434 PolarHBondContact O-N 3.36Å; R434-Q436 PolarHBondContact O-N 3.1Å | ||
| 435 | Q | 55.3 | Low | 58.3 | Low | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | trans | -53.2 | 125.8 | 167.7 | -80.8 | -175.1 | -16.7 | 0 | 0 | 107.8 | D433 N437 | D433-Q435 PolarHBondContact O-N 2.87Å; Q435-N437 PolarHBondContact O-N 2.84Å; Q435-N437 VanDerWaalsContact O-N 3.14Å | ||
| 436 | Q | 70.2 | Confident | 61.4 | Low | 167 Ų | 167 | 105.2 Ų | 105.2 | 78% | 0.78 | 56% | 0.562 | S | S | * | * | trans | -64.5 | 115.6 | -178.5 | -136.4 | 174.1 | 5.1 | 0 | 0 | 108.4 | R434 V438 G640 | R434-Q436 PolarHBondContact O-N 3.1Å; Q436-V438 PolarHBondContact O-N 2.98Å; Q436-G640 WeakPolarHBondContact O-CA 3.41Å | ||
| 437 | N | 84.7 | Confident | 64.7 | Low | 90 Ų | 90 | 100.8 Ų | 100.8 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 123.4 | 174.2 | -69 | -27 | 0 | 0 | 0 | 108.7 | Q435 R641 | Q435-N437 PolarHBondContact O-N 2.84Å; Q435-N437 VanDerWaalsContact O-N 3.14Å; N437-R641 WeakPolarHBondContact CA-O 3.47Å |
| 438 | V | 89.6 | Confident | 67.9 | Low | 29 Ų | 29 | 96.2 Ų | 96.2 | 18% | 0.176 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.8 | 178 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | Q436 E442 L443 T638 R641 I642 R643 | Q436-V438 PolarHBondContact O-N 2.98Å; V438-E442 HydrophobicContact CG1-CB 4.25Å; V438-L443 HydrophobicContact CG1-CD2 3.78Å; V438-T638 HydrophobicContact CG1-CG2 4.33Å; V438-T638 HydrophobicContact CG2-CG2 4.44Å; V438-R641 PolarHBondContact N-O 3.09Å; V438-I642 WeakPolarHBondContact O-CA 3.13Å; V438-R643 PolarHBondContact O-N 3.33Å |
| 439 | S | 90.2 | Very high | 71.2 | Confident | 34 Ų | 34 | 86.6 Ų | 86.6 | 24% | 0.238 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.9 | 175.5 | -174 | 0 | 0 | 0 | 0 | 110.2 | W441 E442 R643 | S439-W441 PolarHBondContact O-N 2.87Å; S439-E442 PolarHBondContact N-OE2 3.37Å; S439-E442 WeakPolarHBondContact O-CB 3.48Å; S439-E442 PolarHBondContact O-N 3.03Å; S439-R643 WeakPolarHBondContact CA-O 3.32Å |
| 440 | L | 90.6 | Very high | 74.5 | Confident | 2 Ų | 2 | 82.4 Ų | 82.4 | 1% | 0.01 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -51.9 | -31.8 | 173.2 | -171.2 | 73.4 | 0 | 0 | 0 | 112.2 | E442 L443 L546 A547 F586 M592 I642 R643 R644 | L440-E442 VanDerWaalsContact C-N 3.32Å; L440-E442 PolarHBondContact O-N 3.39Å; L440-L443 HydrophobicContact CD1-CD1 4.26Å; L440-L443 PolarHBondContact O-N 3.33Å; L440-L546 HydrophobicContact CD1-CB 4.38Å; L440-L546 WeakPolarHBondContact CD1-O 3.45Å; L440-L546 WeakPolarHBondContact CD2-O 3.43Å; L440-L546 VanDerWaalsContact CG-O 3.29Å; L440-L546 WeakPolarHBondContact CG-O 3.46Å; L440-A547 WeakPolarHBondContact O-CA 3.22Å; L440-A547 WeakPolarHBondContact O-CB 3.37Å; L440-F586 HydrophobicContact CD1-CE1 4.35Å; L440-F586 HydrophobicContact CD1-CZ 4.41Å; L440-F586 HydrophobicContact CD2-CE1 3.93Å; L440-F586 HydrophobicContact CD2-CZ 3.63Å; L440-M592 HydrophobicContact CD1-SD 4.13Å; L440-I642 HydrophobicContact CB-CG2 4.09Å; L440-I642 HydrophobicContact CD1-CG2 3.62Å; L440-I642 HydrophobicContact CG-CG2 4.49Å; L440-R643 PolarHBondContact N-O 3.19Å; L440-R644 HydrophobicContact CD2-CG 4.29Å |
| 441 | W | 88.5 | Confident | 77.8 | Confident | 42 Ų | 42 | 74 Ų | 74 | 16% | 0.159 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -71.1 | -20.4 | 178.2 | -78.1 | -6.4 | 0 | 0 | 0 | 115.4 | S439 P645 C649 F650 A653 F659 R800 | S439-W441 PolarHBondContact O-N 2.87Å; W441-P645 HydrophobicContact CB-CG 4.34Å; W441-P645 HydrophobicContact CD2-CB 4.06Å; W441-P645 HydrophobicContact CD2-CG 3.36Å; W441-P645 VanDerWaalsContact CE2-CG 3.45Å; W441-P645 HydrophobicContact CE3-CB 4.17Å; W441-P645 HydrophobicContact CE3-CG 3.82Å; W441-P645 HydrophobicContact CG-CG 3.57Å; W441-P645 HydrophobicContact CH2-CB 4.01Å; W441-P645 HydrophobicContact CH2-CG 4.37Å; W441-P645 HydrophobicContact CZ2-CB 3.9Å; W441-P645 HydrophobicContact CZ2-CG 3.98Å; W441-P645 HydrophobicContact CZ3-CB 4.15Å; W441-P645 HydrophobicContact CZ3-CG 4.3Å; W441-C649 HydrophobicContact CH2-CB 4.12Å; W441-C649 HydrophobicContact CZ3-CB 4.1Å; W441-F650 HydrophobicContact CH2-CB 4.46Å; W441-F650 HydrophobicContact CH2-CD1 4.2Å; W441-F650 HydrophobicContact CH2-CD2 4.12Å; W441-F650 HydrophobicContact CH2-CE2 4.44Å; W441-F650 AromaticContact CH2-CG 3.98Å; W441-F650 HydrophobicContact CH2-CG 3.98Å; W441-F650 AromaticContact CZ2-CD1 3.57Å; W441-F650 HydrophobicContact CZ2-CD1 3.57Å; W441-F650 AromaticContact CZ2-CD2 3.71Å; W441-F650 HydrophobicContact CZ2-CD2 3.71Å; W441-F650 AromaticContact CZ2-CE1 3.5Å; W441-F650 HydrophobicContact CZ2-CE1 3.5Å; W441-F650 AromaticContact CZ2-CE2 3.63Å; W441-F650 HydrophobicContact CZ2-CE2 3.63Å; W441-F650 AromaticContact CZ2-CG 3.67Å; W441-F650 HydrophobicContact CZ2-CG 3.67Å; W441-F650 AromaticContact CZ2-CZ 3.53Å; W441-F650 HydrophobicContact CZ2-CZ 3.53Å; W441-F650 AromaticContact NE1-CZ 3.88Å; W441-A653 HydrophobicContact CH2-CB 4.08Å; W441-A653 HydrophobicContact CZ3-CB 4.08Å; W441-F659 HydrophobicContact CD2-CZ 4.27Å; W441-F659 HydrophobicContact CE3-CZ 4.17Å; W441-F659 HydrophobicContact CH2-CE2 4.28Å; W441-F659 AromaticContact CH2-CZ 3.73Å; W441-F659 HydrophobicContact CH2-CZ 3.73Å; W441-F659 HydrophobicContact CZ2-CE2 4.5Å; W441-F659 AromaticContact CZ2-CZ 3.82Å; W441-F659 HydrophobicContact CZ2-CZ 3.82Å; W441-F659 AromaticContact CZ3-CZ 3.91Å; W441-F659 HydrophobicContact CZ3-CZ 3.91Å; W441-R800 PolarHBondContact O-NH1 3.35Å |
| 442 | E | 87.1 | Confident | 81 | Confident | 142 Ų | 142 | 69.3 Ų | 69.3 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -80.6 | -9.7 | 178.4 | -67.6 | 167.1 | 172.6 | 0 | 0 | 111.7 | V438 S439 L440 | V438-E442 HydrophobicContact CG1-CB 4.25Å; S439-E442 PolarHBondContact N-OE2 3.37Å; S439-E442 WeakPolarHBondContact O-CB 3.48Å; S439-E442 PolarHBondContact O-N 3.03Å; L440-E442 VanDerWaalsContact C-N 3.32Å; L440-E442 PolarHBondContact O-N 3.39Å |
| 443 | L | 88.8 | Confident | 84 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | trans | -86.5 | 125 | -176.2 | -54.9 | -178.4 | 0 | 0 | 0 | 111.7 | V438 L440 L546 P637 T638 I642 | V438-L443 HydrophobicContact CG1-CD2 3.78Å; L440-L443 HydrophobicContact CD1-CD1 4.26Å; L440-L443 PolarHBondContact O-N 3.33Å; L443-L546 HydrophobicContact CB-CB 4.38Å; L443-L546 HydrophobicContact CB-CD1 4.49Å; L443-L546 HydrophobicContact CD1-CD1 4.23Å; L443-P637 HydrophobicContact CD1-CG 4.05Å; L443-P637 HydrophobicContact CD2-CG 4.39Å; L443-T638 HydrophobicContact CD2-CG2 3.33Å; L443-I642 HydrophobicContact CD1-CB 4.41Å; L443-I642 HydrophobicContact CD1-CD1 3.55Å; L443-I642 HydrophobicContact CD1-CG1 3.86Å; L443-I642 HydrophobicContact CD1-CG2 3.67Å | ||
| 444 | S | 81.5 | Confident | 86.8 | Confident | 119 Ų | 119 | 58.1 Ų | 58.1 | 83% | 0.832 | 29% | 0.293 | S | S | * | . | trans | -99.4 | 111.9 | 164.4 | 58.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 445 | G | 88.9 | Confident | 88.9 | Confident | 24 Ų | 24 | 52 Ų | 52 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 163.6 | 165.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | L545 L546 | G445-L545 WeakPolarHBondContact O-CA 3.37Å; G445-L546 PolarHBondContact O-N 3.15Å |
| 446 | F | 93.4 | Very high | 90.3 | Very high | 99 Ų | 99 | 51.2 Ų | 51.2 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.3 | 178.9 | -66.2 | -68.8 | 0 | 0 | 0 | 111.5 | S448 F542 H543 I544 L545 | F446-S448 PolarHBondContact O-N 3.1Å; F446-F542 WeakPolarHBondContact CB-O 3.45Å; F446-H543 HydrophobicContact CE1-CB 4.46Å; F446-I544 WeakPolarHBondContact CA-O 3.18Å; F446-L545 HydrophobicContact CD1-CD2 4.17Å; F446-L545 HydrophobicContact CE1-CD2 3.87Å; F446-L545 HydrophobicContact CE1-CG 4.16Å; F446-L545 HydrophobicContact CZ-CD2 4.27Å |
| 447 | L | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 124.9 | 171.9 | -179.7 | 64.7 | 0 | 0 | 0 | 110.3 | I513 F542 I544 L546 L585 M592 I634 | L447-I513 HydrophobicContact CD2-CD1 3.74Å; L447-I513 HydrophobicContact CD2-CG1 4.15Å; L447-I513 HydrophobicContact CD2-CG2 4.28Å; L447-F542 HydrophobicContact CB-CB 4.43Å; L447-F542 PolarHBondContact O-N 3.17Å; L447-I544 HydrophobicContact CB-CG2 3.92Å; L447-I544 HydrophobicContact CD2-CG2 4.47Å; L447-I544 PolarHBondContact N-O 3.44Å; L447-I544 VanDerWaalsContact N-O 3.13Å; L447-L546 HydrophobicContact CB-CD2 4.17Å; L447-L546 HydrophobicContact CD1-CD2 4.04Å; L447-L585 HydrophobicContact CD1-CD2 4.31Å; L447-L585 HydrophobicContact CD2-CD2 4.41Å; L447-M592 HydrophobicContact CD1-CE 4.04Å; L447-I634 HydrophobicContact CD1-CG2 4.32Å |
| 448 | S | 96 | Very high | 90 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 110.3 | F446 L540 N541 H635 | F446-S448 PolarHBondContact O-N 3.1Å; S448-L540 WeakPolarHBondContact CA-O 3.36Å; S448-N541 WeakPolarHBondContact CB-OD1 3.5Å; S448-N541 PolarHBondContact OG-OD1 2.91Å; S448-H635 PolarHBondContact O-N 2.9Å; S448-H635 VanDerWaalsContact O-N 3.15Å |
| 449 | V | 97.4 | Very high | 88 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.6 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | L540 F542 I555 I632 K633 | V449-L540 PolarHBondContact N-O 3.32Å; V449-L540 WeakPolarHBondContact O-CB 3.08Å; V449-L540 PolarHBondContact O-N 2.87Å; V449-F542 HydrophobicContact CB-CE2 4.24Å; V449-F542 HydrophobicContact CG2-CD2 4.44Å; V449-F542 HydrophobicContact CG2-CE2 4.08Å; V449-I555 HydrophobicContact CG2-CD1 3.92Å; V449-I632 HydrophobicContact CG1-CB 4.09Å; V449-I632 HydrophobicContact CG1-CD1 4.25Å; V449-I632 HydrophobicContact CG1-CG2 4.48Å; V449-K633 CarbonylContact C-O 3.39Å; V449-K633 WeakPolarHBondContact CA-O 3.43Å |
| 450 | Q | 97.8 | Very high | 85.5 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129 | 171.3 | -154.8 | 178.2 | 14.4 | 0 | 0 | 109.7 | R537 E538 W539 I632 K633 | Q450-R537 PolarHBondContact NE2-O 2.84Å; Q450-E538 CarbonylContact C-O 3.47Å; Q450-E538 VanDerWaalsContact CA-O 3.28Å; Q450-E538 WeakPolarHBondContact CA-O 3.45Å; Q450-E538 WeakPolarHBondContact CG-O 3.39Å; Q450-W539 HydrophobicContact CB-CD2 3.64Å; Q450-W539 HydrophobicContact CB-CE3 3.68Å; Q450-W539 HydrophobicContact CB-CG 4.25Å; Q450-W539 HydrophobicContact CB-CH2 3.97Å; Q450-W539 HydrophobicContact CB-CZ2 3.94Å; Q450-W539 HydrophobicContact CB-CZ3 3.83Å; Q450-W539 HydrophobicContact CG-CD2 3.84Å; Q450-W539 HydrophobicContact CG-CE3 4.38Å; Q450-W539 HydrophobicContact CG-CG 3.97Å; Q450-W539 HydrophobicContact CG-CZ2 4.35Å; Q450-I632 CarbonylContact O-C 3.33Å; Q450-I632 WeakPolarHBondContact O-CA 3.33Å; Q450-K633 HydrophobicContact CB-CB 3.94Å; Q450-K633 PolarHBondContact N-O 2.64Å; Q450-K633 PolarHBondContact O-N 3.03Å |
| 451 | V | 97.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 110.6 | 163.4 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | V509 V511 T526 W536 R537 E538 L540 | V451-V509 HydrophobicContact CG1-CB 3.85Å; V451-V509 HydrophobicContact CG1-CG1 3.95Å; V451-V509 HydrophobicContact CG1-CG2 3.84Å; V451-V509 HydrophobicContact CG2-CB 4.37Å; V451-V509 HydrophobicContact CG2-CG1 4.02Å; V451-V511 HydrophobicContact CG2-CG2 3.92Å; V451-T526 HydrophobicContact CB-CG2 3.68Å; V451-T526 HydrophobicContact CG1-CG2 3.99Å; V451-T526 HydrophobicContact CG2-CG2 3.63Å; V451-W536 HydrophobicContact CG1-CB 4.4Å; V451-W536 HydrophobicContact CG1-CD2 4.36Å; V451-W536 HydrophobicContact CG1-CE3 4.07Å; V451-W536 WeakPolarHBondContact O-CB 3.49Å; V451-R537 CarbonylContact O-C 3.55Å; V451-R537 VanDerWaalsContact O-CA 3.27Å; V451-R537 WeakPolarHBondContact O-CA 3.41Å; V451-R537 PolarHBondContact O-N 2.77Å; V451-E538 PolarHBondContact N-O 3.3Å; V451-E538 PolarHBondContact O-N 3.48Å; V451-E538 VanDerWaalsContact O-N 3.07Å; V451-L540 HydrophobicContact CG2-CD1 3.82Å; V451-L540 HydrophobicContact CG2-CG 4.42Å |
| 452 | C | 96.5 | Very high | 80.2 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 8% | 0.081 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -65.6 | -173.6 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | W536 R537 Q631 | C452-W536 PolarHBondContact O-N 3.19Å; C452-R537 PolarHBondContact O-N 3.23Å; C452-R537 VanDerWaalsContact O-N 3.1Å; C452-Q631 HydrophobicContact CB-CB 4.12Å; C452-Q631 HydrophobicContact CB-CG 4.29Å; C452-Q631 WeakPolarHBondContact CB-O 3.45Å; C452-Q631 PolarHBondContact N-O 2.88Å |
| 453 | S | 95 | Very high | 77.4 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 164.2 | -174.5 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | L534 V630 Q631 | S453-L534 CarbonylContact C-O 3.56Å; S453-L534 WeakPolarHBondContact CA-O 3.39Å; S453-L534 WeakPolarHBondContact CB-O 3.39Å; S453-V630 WeakPolarHBondContact O-CA 3.43Å; S453-Q631 PolarHBondContact N-O 3.2Å; S453-Q631 PolarHBondContact O-N 2.88Å |
| 454 | A | 93.2 | Very high | 74.7 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | L534 W536 L559 S629 V630 | A454-L534 HydrophobicContact CB-CB 3.9Å; A454-L534 HydrophobicContact CB-CD1 4.02Å; A454-L534 PolarHBondContact N-O 3.12Å; A454-W536 HydrophobicContact CB-CH2 4.39Å; A454-W536 HydrophobicContact CB-CZ3 3.84Å; A454-L559 HydrophobicContact CB-CD1 4.4Å; A454-S629 CarbonylContact C-O 3.46Å; A454-S629 WeakPolarHBondContact CA-O 3.49Å; A454-V630 HydrophobicContact CB-CG2 3.9Å |
| 455 | Q | 88.6 | Confident | 72.2 | Confident | 117 Ų | 117 | 73.7 Ų | 73.7 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.1 | -179.7 | -66.6 | -178.7 | -11 | 0 | 0 | 110.5 | F628 S629 | Q455-F628 WeakPolarHBondContact O-CA 3.46Å; Q455-S629 PolarHBondContact N-O 3.2Å; Q455-S629 PolarHBondContact O-N 3.1Å |
| 456 | F | 86.1 | Confident | 69.2 | Low | 106 Ų | 106 | 77.5 Ų | 77.5 | 47% | 0.465 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.4 | 167.1 | -163.1 | -114.2 | 0 | 0 | 0 | 108 | V458 F628 | F456-V458 HydrophobicContact CD1-CB 4.5Å; F456-V458 WeakPolarHBondContact CD1-O 3.38Å; F456-V458 HydrophobicContact CE1-CB 3.9Å; F456-V458 WeakPolarHBondContact CE1-O 3.39Å; F456-V458 HydrophobicContact CZ-CB 4.14Å; F456-F628 AromaticContact CD2-CD1 3.79Å; F456-F628 HydrophobicContact CD2-CD1 3.79Å; F456-F628 HydrophobicContact CD2-CD2 4.38Å; F456-F628 AromaticContact CD2-CE1 3.35Å; F456-F628 HydrophobicContact CD2-CE1 3.35Å; F456-F628 AromaticContact CD2-CE2 3.95Å; F456-F628 HydrophobicContact CD2-CE2 3.95Å; F456-F628 HydrophobicContact CD2-CG 4.29Å; F456-F628 AromaticContact CD2-CZ 3.42Å; F456-F628 HydrophobicContact CD2-CZ 3.42Å; F456-F628 VanDerWaalsContact CD2-CZ 3.42Å; F456-F628 HydrophobicContact CE2-CD1 4.47Å; F456-F628 HydrophobicContact CE2-CD2 4.37Å; F456-F628 AromaticContact CE2-CE1 3.82Å; F456-F628 HydrophobicContact CE2-CE1 3.82Å; F456-F628 AromaticContact CE2-CE2 3.65Å; F456-F628 HydrophobicContact CE2-CE2 3.65Å; F456-F628 AromaticContact CE2-CZ 3.34Å; F456-F628 HydrophobicContact CE2-CZ 3.34Å; F456-F628 HydrophobicContact CG-CE1 4.48Å |
| 457 | L | 81.3 | Confident | 66 | Low | 78 Ų | 78 | 78 Ų | 78 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | trans | -98.2 | -14.4 | -172.9 | -66.9 | 174.3 | 0 | 0 | 0 | 113.1 | P626 E627 | L457-P626 HydrophobicContact CD1-CB 4.04Å; L457-P626 HydrophobicContact CD1-CG 3.51Å; L457-E627 PolarHBondContact N-O 2.97Å | ||
| 458 | V | 67.6 | Low | 62.8 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -89.9 | 106.6 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | F456 N460 E627 | F456-V458 HydrophobicContact CD1-CB 4.5Å; F456-V458 WeakPolarHBondContact CD1-O 3.38Å; F456-V458 HydrophobicContact CE1-CB 3.9Å; F456-V458 WeakPolarHBondContact CE1-O 3.39Å; F456-V458 HydrophobicContact CZ-CB 4.14Å; V458-N460 PolarHBondContact O-N 3.34Å; V458-N460 VanDerWaalsContact O-N 3.09Å; V458-E627 HydrophobicContact CG2-CB 4.2Å; V458-E627 HydrophobicContact CG2-CG 4.06Å |
| 459 | E | 46.1 | Very low | 59.4 | Low | 179 Ų | 179 | 88.2 Ų | 88.2 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | trans | -63.6 | 114.8 | 166.2 | -77.7 | -171.4 | 162.1 | 0 | 0 | 108.5 | I461 | E459-I461 PolarHBondContact O-N 3.3Š| ||
| 460 | N | 39 | Very low | 56.1 | Low | 106 Ų | 106 | 95 Ų | 95 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | trans | -53.2 | 118.8 | 166.9 | -87 | -38.8 | 0 | 0 | 0 | 107.8 | V458 A462 | V458-N460 PolarHBondContact O-N 3.34Å; V458-N460 VanDerWaalsContact O-N 3.09Å; N460-A462 HydrophobicContact CB-CB 4.41Å; N460-A462 PolarHBondContact O-N 2.89Å | ||
| 461 | I | 35.1 | Very low | 52.5 | Low | 158 Ų | 158 | 98.9 Ų | 98.9 | 81% | 0.81 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -59.6 | 17.6 | 173.9 | -63.8 | 168.7 | 0 | 0 | 0 | 112.3 | E459 | E459-I461 PolarHBondContact O-N 3.3Š|
| 462 | A | 32.4 | Very low | 49 | Very low | 76 Ų | 76 | 107.3 Ų | 107.3 | 63% | 0.628 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -82.2 | -13.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N460 | N460-A462 HydrophobicContact CB-CB 4.41Å; N460-A462 PolarHBondContact O-N 2.89Å |
| 463 | N | 28.5 | Very low | 45.5 | Very low | 147 Ų | 147 | 111.7 Ų | 111.7 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -95 | 10.5 | -177.2 | -81.3 | -7.8 | 0 | 0 | 0 | 115.8 | ||
| 464 | L | 30.9 | Very low | 42.1 | Very low | 147 Ų | 147 | 119.4 Ų | 119.4 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -90.9 | 5.7 | 173.9 | -91.7 | 156.5 | 0 | 0 | 0 | 114.7 | ||
| 465 | N | 29 | Very low | 38.8 | Very low | 161 Ų | 161 | 123.8 Ų | 123.8 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -116.4 | 53.1 | 177.2 | -75.5 | -21.5 | 0 | 0 | 0 | 112.7 | ||
| 466 | S | 26 | Very low | 35.7 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -149.4 | 54.5 | 165.3 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 467 | S | 27.6 | Very low | 32.7 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -172.6 | 118 | 150.6 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 468 | S | 27.9 | Very low | 29.9 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 57.3 | 105.5 | 155.9 | 54.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 469 | T | 23.8 | Very low | 27.8 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 35.3 | 113 | 129.2 | 55.5 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 470 | T | 27.3 | Very low | 26.8 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | -156.9 | 147.4 | 74.4 | 35.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 471 | S | 23 | Very low | 26 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -60.6 | 129.9 | -179.8 | 52 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 472 | L | 25 | Very low | 25.6 | Very low | 177 Ų | 177 | 127.8 Ų | 127.8 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | -141.6 | 106.5 | 142.9 | -95.8 | 164.3 | 0 | 0 | 0 | 108.8 | ||||
| 473 | S | 22.5 | Very low | 25.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 127 | 178 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 474 | L | 24 | Very low | 25 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | trans | -134.2 | 79.2 | 155.8 | -106.4 | 144.8 | 0 | 0 | 0 | 108.5 | ||||
| 475 | S | 22.5 | Very low | 24.6 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -75.4 | 130 | 159.7 | 48.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 476 | T | 23.6 | Very low | 24.4 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | 155.2 | 144.9 | 122.1 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 477 | I | 23.8 | Very low | 24.4 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | 92.5 | 87.3 | 168.2 | -40.9 | 176.4 | 0 | 0 | 0 | 115.7 | ||||
| 478 | A | 23.1 | Very low | 24.3 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | -165.6 | 101.3 | 128.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 479 | S | 22.2 | Very low | 24.2 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -142.3 | 103.2 | 157.3 | 45.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 480 | S | 25.3 | Very low | 24.3 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -169.8 | 111.3 | 147.6 | 26.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 481 | S | 22.2 | Very low | 24.3 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -35.7 | 128.2 | 160.4 | -25.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 482 | I | 26.2 | Very low | 24.6 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -126.6 | 103.9 | 153.3 | -63.9 | 179.9 | 0 | 0 | 0 | 107.9 | Q484 | I482-Q484 PolarHBondContact O-N 3.5Š| ||
| 483 | H | 22.3 | Very low | 24.6 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 115.7 | 156.8 | -98 | -74.8 | 0 | 0 | 0 | 108.1 | ||||
| 484 | Q | 26.6 | Very low | 24.9 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -150.1 | 113.5 | 151 | -110.2 | 173.3 | 23.6 | 0 | 0 | 110.3 | I482 | I482-Q484 PolarHBondContact O-N 3.5Š| ||
| 485 | S | 23.2 | Very low | 25.1 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -62.1 | 121.8 | 173.8 | 46.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 486 | N | 25.2 | Very low | 25.4 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | -132.3 | 95.2 | 159.6 | -119.5 | -18.7 | 0 | 0 | 0 | 107 | N488 | N486-N488 PolarHBondContact O-N 3.03Š| ||
| 487 | P | 24.6 | Very low | 25.9 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 106.3 | 169.8 | 31.8 | -23.7 | 0 | 0 | 0 | 106.3 | ||
| 488 | N | 25.7 | Very low | 26.1 | Very low | 163 Ų | 163 | 128 Ų | 128 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.1 | 4.6 | 160.6 | -88.2 | -6.7 | 0 | 0 | 0 | 112.7 | N486 N490 | N486-N488 PolarHBondContact O-N 3.03Å; N488-N490 PolarHBondContact O-N 2.75Å |
| 489 | L | 25.6 | Very low | 26.5 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | trans | -79.1 | 103.4 | 154.9 | -86.9 | 102.9 | 0 | 0 | 0 | 108 | V491 | L489-V491 HydrophobicContact CB-CB 4.31Å; L489-V491 HydrophobicContact CB-CG2 3.75Å; L489-V491 HydrophobicContact CD2-CG2 3.29Å; L489-V491 HydrophobicContact CG-CG2 4.1Å; L489-V491 PolarHBondContact O-N 2.83Å | ||
| 490 | N | 27.2 | Very low | 27 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | trans | -66.7 | 61.7 | 145.6 | -81.7 | -13.4 | 0 | 0 | 0 | 107.7 | N488 V492 | N488-N490 PolarHBondContact O-N 2.75Å; N490-V492 VanDerWaalsContact C-N 3.26Å; N490-V492 PolarHBondContact O-N 2.94Å | ||
| 491 | V | 26.9 | Very low | 27.7 | Very low | 84 Ų | 84 | 121 Ų | 121 | 51% | 0.509 | 71% | 0.705 | S | S | . | * | trans | -65.9 | 104.6 | 152.9 | 164.1 | 0 | 0 | 0 | 0 | 102.5 | L489 Q493 | L489-V491 HydrophobicContact CB-CB 4.31Å; L489-V491 HydrophobicContact CB-CG2 3.75Å; L489-V491 HydrophobicContact CD2-CG2 3.29Å; L489-V491 HydrophobicContact CG-CG2 4.1Å; L489-V491 PolarHBondContact O-N 2.83Å; V491-Q493 PolarHBondContact O-N 3.14Å | ||
| 492 | V | 29.8 | Very low | 29 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 66% | 0.661 | 68% | 0.68 | S | S | * | * | trans | -41 | 106.2 | 149.9 | 175 | 0 | 0 | 0 | 0 | 104 | N490 H494 | N490-V492 VanDerWaalsContact C-N 3.26Å; N490-V492 PolarHBondContact O-N 2.94Å; V492-H494 PolarHBondContact O-N 3.44Å | ||
| 493 | Q | 24.4 | Very low | 30.1 | Very low | 161 Ų | 161 | 115.5 Ų | 115.5 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | -56.6 | 100.7 | -179 | -84.5 | -179 | -21.4 | 0 | 0 | 105.4 | V491 T495 | V491-Q493 PolarHBondContact O-N 3.14Å; Q493-T495 HydrophobicContact CB-CG2 4.42Å; Q493-T495 PolarHBondContact O-N 3.25Å | ||
| 494 | H | 29.5 | Very low | 32 | Very low | 154 Ų | 154 | 111.1 Ų | 111.1 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | trans | -61.4 | 83.7 | 147.2 | -84.7 | -85.5 | 0 | 0 | 0 | 103.9 | V492 S496 | V492-H494 PolarHBondContact O-N 3.44Å; H494-S496 PolarHBondContact O-N 3.43Å | ||
| 495 | T | 27.5 | Very low | 34.3 | Very low | 95 Ų | 95 | 103.7 Ų | 103.7 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | trans | -52.7 | 105.2 | 155.2 | 44.8 | 0 | 0 | 0 | 0 | 104 | Q493 V497 | Q493-T495 HydrophobicContact CB-CG2 4.42Å; Q493-T495 PolarHBondContact O-N 3.25Å; T495-V497 WeakPolarHBondContact O-CG2 3.27Å; T495-V497 PolarHBondContact O-N 3.46Å | ||
| 496 | S | 29.5 | Very low | 37.4 | Very low | 99 Ų | 99 | 99.2 Ų | 99.2 | 69% | 0.692 | 60% | 0.595 | S | S | * | * | trans | -50.6 | 105.2 | 160.1 | 58.1 | 0 | 0 | 0 | 0 | 104.4 | H494 N498 | H494-S496 PolarHBondContact O-N 3.43Å; S496-N498 PolarHBondContact O-N 2.87Å | ||
| 497 | V | 32.5 | Very low | 40.6 | Very low | 76 Ų | 76 | 94.1 Ų | 94.1 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | trans | -68.4 | 93 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 104.3 | T495 G499 A502 | T495-V497 WeakPolarHBondContact O-CG2 3.27Å; T495-V497 PolarHBondContact O-N 3.46Å; V497-G499 PolarHBondContact O-N 3.34Å; V497-A502 HydrophobicContact CG1-CB 4.2Å | ||
| 498 | N | 28.3 | Very low | 43.9 | Very low | 134 Ų | 134 | 89.1 Ų | 89.1 | 72% | 0.717 | 53% | 0.534 | S | S | * | . | trans | -48.2 | 118.4 | 154.9 | -87 | -20.3 | 0 | 0 | 0 | 104.8 | S496 G500 A501 | S496-N498 PolarHBondContact O-N 2.87Å; N498-G500 PolarHBondContact O-N 3.26Å; N498-A501 PolarHBondContact O-N 2.88Å | ||
| 499 | G | 32.5 | Very low | 47.2 | Very low | 67 Ų | 67 | 81.4 Ų | 81.4 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 6.6 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117 | V497 | V497-G499 PolarHBondContact O-N 3.34Š|
| 500 | G | 31.9 | Very low | 50.6 | Low | 61 Ų | 61 | 76.9 Ų | 76.9 | 63% | 0.629 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -12.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | N498 | N498-G500 PolarHBondContact O-N 3.26Š|
| 501 | A | 40.6 | Very low | 53.9 | Low | 60 Ų | 60 | 68.9 Ų | 68.9 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -95.9 | -1.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | N498 L503 R561 | N498-A501 PolarHBondContact O-N 2.88Å; A501-L503 PolarHBondContact O-N 3.39Å; A501-R561 PolarHBondContact O-NH2 3.43Å; A501-R561 VanDerWaalsContact O-NH2 3.14Å |
| 502 | A | 48.5 | Very low | 57 | Low | 36 Ų | 36 | 64.9 Ų | 64.9 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V497 | V497-A502 HydrophobicContact CG1-CB 4.2Š|
| 503 | L | 50.3 | Low | 60 | Low | 120 Ų | 120 | 59.7 Ų | 59.7 | 63% | 0.628 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -4.8 | -165.5 | -68.2 | 165.1 | 0 | 0 | 0 | 115.7 | A501 | A501-L503 PolarHBondContact O-N 3.39Š|
| 504 | D | 61.4 | Low | 63.1 | Low | 93 Ų | 93 | 52.8 Ų | 52.8 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -110.4 | 93.4 | -173.4 | -172.9 | 31 | 0 | 0 | 0 | 112.7 | R561 R563 | D504-R561 PolarHBondContact O-NE 2.89Å; D504-R561 PolarHBondContact O-NH2 2.91Å; D504-R563 IonicContact OD2-CZ 2.69Å; D504-R563 IonicContact OD2-NE 3.22Å; D504-R563 PolarHBondContact OD2-NE 3.01Å; D504-R563 IonicContact OD2-NH2 3.37Å; D504-R563 PolarHBondContact OD2-NH2 3.5Å |
| 505 | G | 74.3 | Confident | 65.8 | Low | 21 Ų | 21 | 45.6 Ų | 45.6 | 22% | 0.216 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 153.1 | 166.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I562 | G505-I562 WeakPolarHBondContact CA-O 3.22Š|
| 506 | S | 88.8 | Confident | 68.1 | Low | 16 Ų | 16 | 41.4 Ų | 41.4 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 152.3 | 171.8 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | E528 R561 I562 | S506-E528 VanDerWaalsContact CB-OE2 3.29Å; S506-E528 WeakPolarHBondContact CB-OE2 3.4Å; S506-E528 PolarHBondContact OG-OE2 2.98Å; S506-R561 CarbonylContact O-C 3.58Å; S506-R561 WeakPolarHBondContact O-CA 3.48Å; S506-I562 PolarHBondContact N-O 2.93Å; S506-I562 PolarHBondContact O-N 3.22Å |
| 507 | Y | 92.1 | Very high | 70.1 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146 | 176.8 | -64 | -96.1 | 0 | 0 | 0 | 110.2 | R529 L534 L559 I560 R561 Y578 | Y507-R529 PolarHBondContact N-O 2.91Å; Y507-R529 PolarHBondContact O-N 3.34Å; Y507-L534 HydrophobicContact CD1-CD1 4.2Å; Y507-L534 HydrophobicContact CD2-CD1 4.39Å; Y507-L534 HydrophobicContact CD2-CD2 3.66Å; Y507-L534 HydrophobicContact CE2-CD2 4.47Å; Y507-L534 HydrophobicContact CG-CD1 4.04Å; Y507-L534 HydrophobicContact CG-CD2 3.83Å; Y507-L559 HydrophobicContact CD1-CD1 4.45Å; Y507-I560 CarbonylContact C-O 3.49Å; Y507-I560 WeakPolarHBondContact CA-O 3.48Å; Y507-R561 HydrophobicContact CD1-CB 3.97Å; Y507-R561 HydrophobicContact CE1-CB 3.84Å; Y507-R561 HydrophobicContact CE1-CG 4.18Å; Y507-Y578 HydrophobicContact CE1-CD2 4.02Å; Y507-Y578 AromaticContact CE1-CE2 3.75Å; Y507-Y578 HydrophobicContact CE1-CE2 3.75Å |
| 508 | V | 94.6 | Very high | 72.1 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156 | 170.7 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | T525 E528 I560 I562 | V508-T525 HydrophobicContact CB-CG2 3.7Å; V508-T525 HydrophobicContact CG1-CG2 4.23Å; V508-T525 HydrophobicContact CG2-CG2 3.79Å; V508-E528 HydrophobicContact CG1-CB 4.36Å; V508-E528 HydrophobicContact CG1-CG 3.71Å; V508-I560 HydrophobicContact CG2-CB 3.86Å; V508-I560 HydrophobicContact CG2-CG2 4.4Å; V508-I560 PolarHBondContact N-O 3.31Å; V508-I560 PolarHBondContact O-N 2.86Å; V508-I562 HydrophobicContact CB-CD1 4.44Å; V508-I562 HydrophobicContact CG1-CD1 3.7Å; V508-I562 HydrophobicContact CG2-CD1 3.85Å; V508-I562 HydrophobicContact CG2-CG1 4.19Å |
| 509 | V | 95.7 | Very high | 74.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.3 | 169.6 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | V451 V511 T525 T526 W536 V557 A558 L559 V630 | V451-V509 HydrophobicContact CG1-CB 3.85Å; V451-V509 HydrophobicContact CG1-CG1 3.95Å; V451-V509 HydrophobicContact CG1-CG2 3.84Å; V451-V509 HydrophobicContact CG2-CB 4.37Å; V451-V509 HydrophobicContact CG2-CG1 4.02Å; V509-V511 HydrophobicContact CG1-CG2 4.08Å; V509-T525 WeakPolarHBondContact O-CA 3.28Å; V509-T526 HydrophobicContact CB-CG2 4.07Å; V509-T526 PolarHBondContact N-OG1 3.48Å; V509-T526 PolarHBondContact O-N 3.28Å; V509-T526 PolarHBondContact O-OG1 2.89Å; V509-W536 HydrophobicContact CG2-CE3 4.24Å; V509-W536 HydrophobicContact CG2-CH2 3.73Å; V509-W536 HydrophobicContact CG2-CZ2 4.09Å; V509-W536 HydrophobicContact CG2-CZ3 3.81Å; V509-V557 HydrophobicContact CG1-CG1 3.51Å; V509-A558 WeakPolarHBondContact CA-O 3.45Å; V509-L559 HydrophobicContact CG2-CD1 4.07Å; V509-V630 HydrophobicContact CG1-CG1 4.34Å |
| 510 | R | 96 | Very high | 77.1 | Confident | 39 Ų | 39 | 30.4 Ų | 30.4 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132 | 174.4 | -173.2 | 173.8 | -71.1 | 148.6 | 1.8 | 108.6 | C523 V557 A558 I560 E575 S613 L614 | R510-C523 HydrophobicContact CG-CB 4.4Å; R510-V557 CarbonylContact O-C 3.52Å; R510-V557 WeakPolarHBondContact O-CA 3.41Å; R510-A558 PolarHBondContact N-O 3.29Å; R510-A558 PolarHBondContact O-N 3.49Å; R510-I560 HydrophobicContact CB-CD1 3.89Å; R510-E575 IonicContact CZ-OE1 2.88Å; R510-E575 IonicContact CZ-OE2 2.88Å; R510-E575 IonicContact NH1-OE1 2.78Å; R510-E575 IonicContact NH1-OE2 2.68Å; R510-E575 PolarHBondContact NH1-OE2 2.77Å; R510-E575 VanDerWaalsContact NH2-CD 3.33Å; R510-E575 IonicContact NH2-OE1 2.74Å; R510-E575 PolarHBondContact NH2-OE1 3.4Å; R510-E575 IonicContact NH2-OE2 3.72Å; R510-E575 PolarHBondContact NH2-OE2 3.05Å; R510-E575 VanDerWaalsContact NH2-OE2 3.09Å; R510-S613 WeakPolarHBondContact CD-OG 3.37Å; R510-S613 PolarHBondContact NH1-OG 3.19Å; R510-L614 HydrophobicContact CG-CD1 4.19Å; R510-L614 HydrophobicContact CG-CG 4.43Å |
| 511 | V | 96.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.2 | -179.8 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | V451 V509 C523 Q524 L540 F542 I555 C556 V557 | V451-V511 HydrophobicContact CG2-CG2 3.92Å; V509-V511 HydrophobicContact CG1-CG2 4.08Å; V511-C523 CarbonylContact O-C 3.53Å; V511-C523 WeakPolarHBondContact O-CA 3.41Å; V511-C523 WeakPolarHBondContact O-CB 3.34Å; V511-Q524 PolarHBondContact N-O 3.34Å; V511-Q524 PolarHBondContact O-N 2.88Å; V511-L540 HydrophobicContact CB-CD1 3.94Å; V511-L540 HydrophobicContact CG2-CD1 3.68Å; V511-F542 HydrophobicContact CB-CZ 4.01Å; V511-F542 HydrophobicContact CG1-CE2 4.18Å; V511-F542 HydrophobicContact CG1-CZ 3.73Å; V511-I555 HydrophobicContact CG1-CG2 3.62Å; V511-C556 CarbonylContact C-O 3.58Å; V511-C556 WeakPolarHBondContact CA-O 3.47Å; V511-V557 HydrophobicContact CG1-CG2 4.38Å; V511-V557 HydrophobicContact CG2-CG1 4.47Å; V511-V557 HydrophobicContact CG2-CG2 4.26Å |
| 512 | G | 93.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C556 | G512-C556 PolarHBondContact N-O 3.36Å; G512-C556 PolarHBondContact O-N 2.71Å |
| 513 | I | 93 | Very high | 83.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.2 | 178.2 | -46.5 | -61.6 | 0 | 0 | 0 | 108.6 | L447 L520 I521 F542 T553 R554 I555 | L447-I513 HydrophobicContact CD2-CD1 3.74Å; L447-I513 HydrophobicContact CD2-CG1 4.15Å; L447-I513 HydrophobicContact CD2-CG2 4.28Å; I513-L520 HydrophobicContact CG2-CD1 4.18Å; I513-L520 PolarHBondContact O-N 2.94Å; I513-I521 HydrophobicContact CB-CG2 3.95Å; I513-I521 HydrophobicContact CG1-CG2 4.03Å; I513-F542 HydrophobicContact CD1-CD1 4.37Å; I513-F542 HydrophobicContact CD1-CD2 4.14Å; I513-F542 HydrophobicContact CD1-CE1 4.23Å; I513-F542 HydrophobicContact CD1-CE2 4.02Å; I513-F542 HydrophobicContact CD1-CG 4.31Å; I513-F542 HydrophobicContact CD1-CZ 4.06Å; I513-F542 HydrophobicContact CG1-CB 4.47Å; I513-F542 HydrophobicContact CG1-CD1 3.6Å; I513-F542 HydrophobicContact CG1-CD2 4.15Å; I513-F542 HydrophobicContact CG1-CE1 3.74Å; I513-F542 HydrophobicContact CG1-CE2 4.3Å; I513-F542 HydrophobicContact CG1-CG 3.81Å; I513-F542 HydrophobicContact CG1-CZ 4.1Å; I513-T553 HydrophobicContact CG2-CG2 3.83Å; I513-R554 WeakPolarHBondContact CA-O 3.4Å; I513-I555 HydrophobicContact CD1-CB 4.37Å; I513-I555 HydrophobicContact CD1-CG1 3.82Å; I513-I555 HydrophobicContact CD1-CG2 4.24Å |
| 514 | F | 88.4 | Confident | 85.8 | Confident | 16 Ų | 16 | 30.7 Ų | 30.7 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.8 | -172.8 | -64.9 | -98.3 | 0 | 0 | 0 | 111.9 | G516 Q518 F519 T553 R554 C556 L614 P616 | F514-G516 WeakPolarHBondContact CB-O 3.47Å; F514-Q518 CarbonylContact C-O 3.56Å; F514-Q518 WeakPolarHBondContact CA-O 3.3Å; F514-F519 HydrophobicContact CD1-CB 4.3Å; F514-F519 HydrophobicContact CD1-CD2 4.31Å; F514-F519 HydrophobicContact CE1-CB 4.14Å; F514-F519 AromaticContact CE1-CD2 3.78Å; F514-F519 HydrophobicContact CE1-CD2 3.78Å; F514-F519 HydrophobicContact CE1-CG 4.49Å; F514-F519 HydrophobicContact CE2-CD2 4.41Å; F514-F519 AromaticContact CZ-CD2 3.83Å; F514-F519 HydrophobicContact CZ-CD2 3.83Å; F514-F519 HydrophobicContact CZ-CE2 4.4Å; F514-T553 CarbonylContact O-C 3.58Å; F514-T553 VanDerWaalsContact O-CA 3.23Å; F514-T553 WeakPolarHBondContact O-CA 3.39Å; F514-R554 PolarHBondContact N-O 2.98Å; F514-R554 PolarHBondContact O-N 3.15Å; F514-C556 HydrophobicContact CD2-CB 3.86Å; F514-C556 VanDerWaalsContact CD2-SG 3.54Å; F514-C556 HydrophobicContact CE2-CB 3.77Å; F514-L614 HydrophobicContact CE2-CD1 4.04Å; F514-L614 HydrophobicContact CZ-CB 4.45Å; F514-L614 HydrophobicContact CZ-CD1 4.14Å; F514-P616 HydrophobicContact CB-CB 4.2Å; F514-P616 HydrophobicContact CD1-CB 3.61Å; F514-P616 HydrophobicContact CD1-CG 3.95Å; F514-P616 HydrophobicContact CD2-CB 4.09Å; F514-P616 HydrophobicContact CE1-CB 3.91Å; F514-P616 HydrophobicContact CE1-CG 3.81Å; F514-P616 HydrophobicContact CE2-CB 4.36Å; F514-P616 HydrophobicContact CG-CB 3.71Å; F514-P616 HydrophobicContact CZ-CB 4.28Å; F514-P616 HydrophobicContact CZ-CG 4.25Å |
| 515 | H | 85.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 98.7 | 163.5 | -179.5 | -131.2 | 0 | 0 | 0 | 108.1 | S517 Q518 L520 P550 A552 W797 | H515-S517 PolarHBondContact O-N 3.26Å; H515-Q518 PolarHBondContact N-O 3.2Å; H515-Q518 VanDerWaalsContact O-CB 3.3Å; H515-Q518 WeakPolarHBondContact O-CB 3.21Å; H515-Q518 PolarHBondContact O-N 3.12Å; H515-L520 HydrophobicContact CB-CD1 4.09Å; H515-L520 HydrophobicContact CB-CD2 3.62Å; H515-L520 HydrophobicContact CB-CG 3.97Å; H515-P550 HydrophobicContact CB-CG 3.87Å; H515-A552 WeakPolarHBondContact CA-O 3.33Å; H515-W797 AromaticContact CE1-CD2 3.54Å; H515-W797 AromaticContact CE1-CE3 3.61Å; H515-W797 AromaticContact CE1-CG 3.74Å; H515-W797 AromaticContact ND1-CD1 3.9Å; H515-W797 AromaticContact ND1-CD2 3.82Å; H515-W797 AromaticContact ND1-CG 3.52Å |
| 516 | G | 75.9 | Confident | 88.5 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 7% | 0.072 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | -121.8 | -161.8 | 0 | 0 | 0 | 0 | 0 | 111 | F514 A552 A853 | F514-G516 WeakPolarHBondContact CB-O 3.47Å; G516-A552 PolarHBondContact N-O 3.13Å; G516-A853 VanDerWaalsContact CA-CB 3.46Å |
| 517 | S | 72 | Confident | 88.7 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.8 | 170.3 | 37.6 | 0 | 0 | 0 | 0 | 113.8 | H515 F519 S850 | H515-S517 PolarHBondContact O-N 3.26Å; S517-F519 PolarHBondContact O-N 2.66Å; S517-S850 VanDerWaalsContact C-OG 3.31Å; S517-S850 WeakPolarHBondContact CB-OG 3.49Å; S517-S850 WeakPolarHBondContact OG-CB 3.34Å; S517-S850 PolarHBondContact OG-OG 2.99Å |
| 518 | Q | 75.8 | Confident | 88.7 | Confident | 46 Ų | 46 | 38.4 Ų | 38.4 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.1 | -177.5 | -169.6 | -179.3 | -1.2 | 0 | 0 | 109.9 | F514 H515 L520 V847 S850 | F514-Q518 CarbonylContact C-O 3.56Å; F514-Q518 WeakPolarHBondContact CA-O 3.3Å; H515-Q518 PolarHBondContact N-O 3.2Å; H515-Q518 VanDerWaalsContact O-CB 3.3Å; H515-Q518 WeakPolarHBondContact O-CB 3.21Å; H515-Q518 PolarHBondContact O-N 3.12Å; Q518-L520 PolarHBondContact O-N 2.9Å; Q518-V847 HydrophobicContact CG-CG1 3.75Å; Q518-S850 PolarHBondContact N-OG 3.25Å |
| 519 | F | 80.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 43.5 Ų | 43.5 | 23% | 0.228 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 129.6 | 172.4 | -172.2 | -113.3 | 0 | 0 | 0 | 111.4 | F514 S517 I521 E522 C523 | F514-F519 HydrophobicContact CD1-CB 4.3Å; F514-F519 HydrophobicContact CD1-CD2 4.31Å; F514-F519 HydrophobicContact CE1-CB 4.14Å; F514-F519 AromaticContact CE1-CD2 3.78Å; F514-F519 HydrophobicContact CE1-CD2 3.78Å; F514-F519 HydrophobicContact CE1-CG 4.49Å; F514-F519 HydrophobicContact CE2-CD2 4.41Å; F514-F519 AromaticContact CZ-CD2 3.83Å; F514-F519 HydrophobicContact CZ-CD2 3.83Å; F514-F519 HydrophobicContact CZ-CE2 4.4Å; S517-F519 PolarHBondContact O-N 2.66Å; F519-I521 WeakPolarHBondContact CE1-O 3.46Å; F519-I521 WeakPolarHBondContact CE2-O 3.45Å; F519-I521 WeakPolarHBondContact CZ-O 3.47Å; F519-E522 VanDerWaalsContact CE1-CA 3.49Å; F519-C523 HydrophobicContact CE2-CB 4.08Å; F519-C523 HydrophobicContact CZ-CB 4.26Å |
| 520 | L | 84.6 | Confident | 87.9 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -35.8 | -179.7 | -66.9 | -173.5 | 0 | 0 | 0 | 113.2 | I513 H515 Q518 I544 P550 | I513-L520 HydrophobicContact CG2-CD1 4.18Å; I513-L520 PolarHBondContact O-N 2.94Å; H515-L520 HydrophobicContact CB-CD1 4.09Å; H515-L520 HydrophobicContact CB-CD2 3.62Å; H515-L520 HydrophobicContact CB-CG 3.97Å; Q518-L520 PolarHBondContact O-N 2.9Å; L520-I544 HydrophobicContact CB-CD1 4.22Å; L520-I544 HydrophobicContact CD1-CD1 4.15Å; L520-P550 HydrophobicContact CD1-CG 3.78Å; L520-P550 HydrophobicContact CD2-CG 4.47Å |
| 521 | I | 86.8 | Confident | 86.7 | Confident | 35 Ų | 35 | 48 Ų | 48 | 18% | 0.179 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 151.2 | -173.6 | -172.4 | 163.4 | 0 | 0 | 0 | 110.3 | I513 F519 C523 F542 H543 I544 | I513-I521 HydrophobicContact CB-CG2 3.95Å; I513-I521 HydrophobicContact CG1-CG2 4.03Å; F519-I521 WeakPolarHBondContact CE1-O 3.46Å; F519-I521 WeakPolarHBondContact CE2-O 3.45Å; F519-I521 WeakPolarHBondContact CZ-O 3.47Å; I521-C523 PolarHBondContact O-N 3.26Å; I521-F542 HydrophobicContact CD1-CB 4.46Å; I521-F542 HydrophobicContact CG2-CB 4.26Å; I521-F542 HydrophobicContact CG2-CD1 3.89Å; I521-F542 HydrophobicContact CG2-CG 4.49Å; I521-H543 VanDerWaalsContact CD1-C 3.46Å; I521-H543 HydrophobicContact CD1-CB 4.05Å; I521-H543 VanDerWaalsContact CD1-N 3.31Å; I521-I544 HydrophobicContact CD1-CB 4.25Å; I521-I544 HydrophobicContact CG2-CG2 4.49Å |
| 522 | E | 83.9 | Confident | 85.3 | Confident | 140 Ų | 140 | 53.4 Ų | 53.4 | 65% | 0.654 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -43.6 | 134 | -179.4 | -163.3 | 177.6 | -178.2 | 0 | 0 | 113.3 | F519 | F519-E522 VanDerWaalsContact CE1-CA 3.49Å |
| 523 | C | 90.3 | Very high | 84.3 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 28% | 0.284 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 142.6 | -178.8 | 64.5 | 0 | 0 | 0 | 0 | 109.6 | R510 V511 F519 I521 L614 | R510-C523 HydrophobicContact CG-CB 4.4Å; V511-C523 CarbonylContact O-C 3.53Å; V511-C523 WeakPolarHBondContact O-CA 3.41Å; V511-C523 WeakPolarHBondContact O-CB 3.34Å; F519-C523 HydrophobicContact CE2-CB 4.08Å; F519-C523 HydrophobicContact CZ-CB 4.26Å; I521-C523 PolarHBondContact O-N 3.26Å; C523-L614 HydrophobicContact CB-CD1 4.38Å |
| 524 | Q | 94 | Very high | 84.1 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.6 | 179.4 | -65.2 | -69.1 | -36.1 | 0 | 0 | 108.3 | V511 L540 F542 | V511-Q524 PolarHBondContact N-O 3.34Å; V511-Q524 PolarHBondContact O-N 2.88Å; Q524-L540 HydrophobicContact CB-CB 3.92Å; Q524-L540 HydrophobicContact CB-CD1 3.92Å; Q524-L540 HydrophobicContact CB-CD2 4.18Å; Q524-L540 HydrophobicContact CB-CG 4.22Å; Q524-L540 HydrophobicContact CG-CB 4.45Å; Q524-F542 HydrophobicContact CB-CE1 3.86Å; Q524-F542 HydrophobicContact CB-CZ 3.82Å; Q524-F542 HydrophobicContact CG-CD1 3.88Å; Q524-F542 HydrophobicContact CG-CE1 3.46Å; Q524-F542 VanDerWaalsContact CG-CE1 3.46Å; Q524-F542 HydrophobicContact CG-CZ 3.83Å |
| 525 | T | 95 | Very high | 84.3 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | V508 V509 | V508-T525 HydrophobicContact CB-CG2 3.7Å; V508-T525 HydrophobicContact CG1-CG2 4.23Å; V508-T525 HydrophobicContact CG2-CG2 3.79Å; V509-T525 WeakPolarHBondContact O-CA 3.28Å |
| 526 | T | 96.8 | Very high | 84.7 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 165.3 | 176.8 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | V451 V509 W536 E538 L540 | V451-T526 HydrophobicContact CB-CG2 3.68Å; V451-T526 HydrophobicContact CG1-CG2 3.99Å; V451-T526 HydrophobicContact CG2-CG2 3.63Å; V509-T526 HydrophobicContact CB-CG2 4.07Å; V509-T526 PolarHBondContact N-OG1 3.48Å; V509-T526 PolarHBondContact O-N 3.28Å; V509-T526 PolarHBondContact O-OG1 2.89Å; T526-W536 VanDerWaalsContact CB-CD1 3.41Å; T526-W536 HydrophobicContact CG2-CG 4.29Å; T526-W536 PolarHBondContact OG1-NE1 2.81Å; T526-E538 WeakPolarHBondContact CA-OE2 3.25Å; T526-E538 WeakPolarHBondContact CB-OE2 3.44Å; T526-L540 HydrophobicContact CG2-CD1 4.13Å; T526-L540 HydrophobicContact CG2-CD2 4.3Å |
| 527 | K | 93.5 | Very high | 85.6 | Confident | 145 Ų | 145 | 76 Ų | 76 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 144.6 | 172.2 | -67.3 | 170.7 | -170.9 | 177 | 0 | 111.5 | R529 W536 E538 | K527-R529 PolarHBondContact O-N 3.18Å; K527-W536 VanDerWaalsContact O-CD1 3.3Å; K527-W536 PolarHBondContact O-NE1 2.93Å; K527-E538 WeakPolarHBondContact CE-OE1 3.44Å; K527-E538 PolarHBondContact N-OE2 3.38Å |
| 528 | E | 92 | Very high | 86.8 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 132 | 174.9 | -73.6 | -175 | -136.4 | 0 | 0 | 112.5 | S506 V508 I562 | S506-E528 VanDerWaalsContact CB-OE2 3.29Å; S506-E528 WeakPolarHBondContact CB-OE2 3.4Å; S506-E528 PolarHBondContact OG-OE2 2.98Å; V508-E528 HydrophobicContact CG1-CB 4.36Å; V508-E528 HydrophobicContact CG1-CG 3.71Å; E528-I562 HydrophobicContact CG-CD1 4.15Å |
| 529 | R | 89.4 | Confident | 87.8 | Confident | 109 Ų | 109 | 79.9 Ų | 79.9 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.4 | 175.8 | -73.9 | -65.7 | -171 | -178.1 | 0.3 | 111.5 | Y507 K527 L534 T535 W536 | Y507-R529 PolarHBondContact N-O 2.91Å; Y507-R529 PolarHBondContact O-N 3.34Å; K527-R529 PolarHBondContact O-N 3.18Å; R529-L534 HydrophobicContact CB-CD2 4.37Å; R529-T535 PolarHBondContact NE-O 3.08Å; R529-W536 HydrophobicContact CB-CZ2 3.93Å; R529-W536 HydrophobicContact CG-CD2 4.14Å; R529-W536 HydrophobicContact CG-CG 4.21Å; R529-W536 HydrophobicContact CG-CZ2 4.07Å; R529-W536 VanDerWaalsContact CG-NE1 3.26Å |
| 530 | P | 82.6 | Confident | 88.6 | Confident | 102 Ų | 102 | 77.7 Ų | 77.7 | 66% | 0.662 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 155.5 | 173.9 | 32.8 | -33.1 | 0 | 0 | 0 | 112 | ||
| 531 | G | 71.9 | Confident | 89 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 91.2 | -168.3 | 171 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 532 | N | 67.1 | Low | 89.4 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -94.4 | -13.7 | -169 | -57.4 | -5.7 | 0 | 0 | 0 | 113.6 | ||
| 533 | Y | 72.9 | Confident | 89.7 | Confident | 215 Ų | 215 | 78.6 Ų | 78.6 | 84% | 0.843 | 38% | 0.377 | S | S | * | . | trans | -103.7 | 90.6 | -179.2 | -68.9 | -79.8 | 0 | 0 | 0 | 109.9 | T535 | Y533-T535 PolarHBondContact O-N 3.32Š| ||
| 534 | L | 88.4 | Confident | 89.7 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 89.5 | -173.4 | -61.4 | -178.8 | 0 | 0 | 0 | 110.5 | S453 A454 Y507 R529 W536 L559 | S453-L534 CarbonylContact C-O 3.56Å; S453-L534 WeakPolarHBondContact CA-O 3.39Å; S453-L534 WeakPolarHBondContact CB-O 3.39Å; A454-L534 HydrophobicContact CB-CB 3.9Å; A454-L534 HydrophobicContact CB-CD1 4.02Å; A454-L534 PolarHBondContact N-O 3.12Å; Y507-L534 HydrophobicContact CD1-CD1 4.2Å; Y507-L534 HydrophobicContact CD2-CD1 4.39Å; Y507-L534 HydrophobicContact CD2-CD2 3.66Å; Y507-L534 HydrophobicContact CE2-CD2 4.47Å; Y507-L534 HydrophobicContact CG-CD1 4.04Å; Y507-L534 HydrophobicContact CG-CD2 3.83Å; R529-L534 HydrophobicContact CB-CD2 4.37Å; L534-W536 HydrophobicContact CB-CH2 3.73Å; L534-W536 HydrophobicContact CB-CZ3 3.62Å; L534-W536 HydrophobicContact CD1-CH2 4.25Å; L534-W536 HydrophobicContact CD2-CH2 4.12Å; L534-W536 HydrophobicContact CG-CH2 4.25Å; L534-L559 HydrophobicContact CD1-CD1 4.47Å |
| 535 | T | 92.7 | Very high | 89.5 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.7 | 174.2 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | R529 Y533 R537 | R529-T535 PolarHBondContact NE-O 3.08Å; Y533-T535 PolarHBondContact O-N 3.32Å; T535-R537 HydrophobicContact CG2-CG 3.92Å |
| 536 | W | 93.5 | Very high | 89.4 | Confident | 16 Ų | 16 | 74.9 Ų | 74.9 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -54.1 | 178.2 | -72.2 | -94.3 | 0 | 0 | 0 | 111.5 | V451 C452 A454 V509 T526 K527 R529 L534 E538 L559 | V451-W536 HydrophobicContact CG1-CB 4.4Å; V451-W536 HydrophobicContact CG1-CD2 4.36Å; V451-W536 HydrophobicContact CG1-CE3 4.07Å; V451-W536 WeakPolarHBondContact O-CB 3.49Å; C452-W536 PolarHBondContact O-N 3.19Å; A454-W536 HydrophobicContact CB-CH2 4.39Å; A454-W536 HydrophobicContact CB-CZ3 3.84Å; V509-W536 HydrophobicContact CG2-CE3 4.24Å; V509-W536 HydrophobicContact CG2-CH2 3.73Å; V509-W536 HydrophobicContact CG2-CZ2 4.09Å; V509-W536 HydrophobicContact CG2-CZ3 3.81Å; T526-W536 VanDerWaalsContact CB-CD1 3.41Å; T526-W536 HydrophobicContact CG2-CG 4.29Å; T526-W536 PolarHBondContact OG1-NE1 2.81Å; K527-W536 VanDerWaalsContact O-CD1 3.3Å; K527-W536 PolarHBondContact O-NE1 2.93Å; R529-W536 HydrophobicContact CB-CZ2 3.93Å; R529-W536 HydrophobicContact CG-CD2 4.14Å; R529-W536 HydrophobicContact CG-CG 4.21Å; R529-W536 HydrophobicContact CG-CZ2 4.07Å; R529-W536 VanDerWaalsContact CG-NE1 3.26Å; L534-W536 HydrophobicContact CB-CH2 3.73Å; L534-W536 HydrophobicContact CB-CZ3 3.62Å; L534-W536 HydrophobicContact CD1-CH2 4.25Å; L534-W536 HydrophobicContact CD2-CH2 4.12Å; L534-W536 HydrophobicContact CG-CH2 4.25Å; W536-E538 HydrophobicContact CB-CB 4.03Å; W536-E538 PolarHBondContact O-N 2.85Å; W536-L559 HydrophobicContact CH2-CD1 4.28Å |
| 537 | R | 94.3 | Very high | 89.1 | Confident | 190 Ų | 190 | 74.7 Ų | 74.7 | 72% | 0.717 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52 | 34.5 | -167.5 | -61 | 179 | -179.7 | 174.7 | -0.4 | 112.3 | Q450 V451 C452 T535 | Q450-R537 PolarHBondContact NE2-O 2.84Å; V451-R537 CarbonylContact O-C 3.55Å; V451-R537 VanDerWaalsContact O-CA 3.27Å; V451-R537 WeakPolarHBondContact O-CA 3.41Å; V451-R537 PolarHBondContact O-N 2.77Å; C452-R537 PolarHBondContact O-N 3.23Å; C452-R537 VanDerWaalsContact O-N 3.1Å; T535-R537 HydrophobicContact CG2-CG 3.92Å |
| 538 | E | 96.6 | Very high | 89 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.3 | -173 | -179.6 | 164.1 | -154.5 | 0 | 0 | 110.3 | Q450 V451 T526 K527 W536 L540 | Q450-E538 CarbonylContact C-O 3.47Å; Q450-E538 VanDerWaalsContact CA-O 3.28Å; Q450-E538 WeakPolarHBondContact CA-O 3.45Å; Q450-E538 WeakPolarHBondContact CG-O 3.39Å; V451-E538 PolarHBondContact N-O 3.3Å; V451-E538 PolarHBondContact O-N 3.48Å; V451-E538 VanDerWaalsContact O-N 3.07Å; T526-E538 WeakPolarHBondContact CA-OE2 3.25Å; T526-E538 WeakPolarHBondContact CB-OE2 3.44Å; K527-E538 WeakPolarHBondContact CE-OE1 3.44Å; K527-E538 PolarHBondContact N-OE2 3.38Å; W536-E538 HydrophobicContact CB-CB 4.03Å; W536-E538 PolarHBondContact O-N 2.85Å; E538-L540 HydrophobicContact CG-CD2 4.12Å |
| 539 | W | 96.8 | Very high | 88.9 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 38% | 0.379 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.7 | 172.9 | -77.4 | 101.3 | 0 | 0 | 0 | 110.1 | Q450 K633 H635 | Q450-W539 HydrophobicContact CB-CD2 3.64Å; Q450-W539 HydrophobicContact CB-CE3 3.68Å; Q450-W539 HydrophobicContact CB-CG 4.25Å; Q450-W539 HydrophobicContact CB-CH2 3.97Å; Q450-W539 HydrophobicContact CB-CZ2 3.94Å; Q450-W539 HydrophobicContact CB-CZ3 3.83Å; Q450-W539 HydrophobicContact CG-CD2 3.84Å; Q450-W539 HydrophobicContact CG-CE3 4.38Å; Q450-W539 HydrophobicContact CG-CG 3.97Å; Q450-W539 HydrophobicContact CG-CZ2 4.35Å; W539-K633 HydrophobicContact CH2-CG 4.41Å; W539-H635 HydrophobicContact CH2-CB 3.9Å; W539-H635 HydrophobicContact CZ3-CB 3.76Å |
| 540 | L | 97.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.5 | 169.9 | -53.6 | -179.5 | 0 | 0 | 0 | 107.7 | S448 V449 V451 V511 Q524 T526 E538 F542 | S448-L540 WeakPolarHBondContact CA-O 3.36Å; V449-L540 PolarHBondContact N-O 3.32Å; V449-L540 WeakPolarHBondContact O-CB 3.08Å; V449-L540 PolarHBondContact O-N 2.87Å; V451-L540 HydrophobicContact CG2-CD1 3.82Å; V451-L540 HydrophobicContact CG2-CG 4.42Å; V511-L540 HydrophobicContact CB-CD1 3.94Å; V511-L540 HydrophobicContact CG2-CD1 3.68Å; Q524-L540 HydrophobicContact CB-CB 3.92Å; Q524-L540 HydrophobicContact CB-CD1 3.92Å; Q524-L540 HydrophobicContact CB-CD2 4.18Å; Q524-L540 HydrophobicContact CB-CG 4.22Å; Q524-L540 HydrophobicContact CG-CB 4.45Å; T526-L540 HydrophobicContact CG2-CD1 4.13Å; T526-L540 HydrophobicContact CG2-CD2 4.3Å; E538-L540 HydrophobicContact CG-CD2 4.12Å; L540-F542 HydrophobicContact CB-CE2 4.08Å; L540-F542 HydrophobicContact CB-CZ 4.39Å |
| 541 | N | 94.7 | Very high | 88.9 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.8 | -178.5 | -62.2 | -54.2 | 0 | 0 | 0 | 109.2 | S448 | S448-N541 WeakPolarHBondContact CB-OD1 3.5Å; S448-N541 PolarHBondContact OG-OD1 2.91Å |
| 542 | F | 93.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.2 | 177.3 | -62.6 | -87.9 | 0 | 0 | 0 | 108.2 | F446 L447 V449 V511 I513 I521 Q524 L540 I544 | F446-F542 WeakPolarHBondContact CB-O 3.45Å; L447-F542 HydrophobicContact CB-CB 4.43Å; L447-F542 PolarHBondContact O-N 3.17Å; V449-F542 HydrophobicContact CB-CE2 4.24Å; V449-F542 HydrophobicContact CG2-CD2 4.44Å; V449-F542 HydrophobicContact CG2-CE2 4.08Å; V511-F542 HydrophobicContact CB-CZ 4.01Å; V511-F542 HydrophobicContact CG1-CE2 4.18Å; V511-F542 HydrophobicContact CG1-CZ 3.73Å; I513-F542 HydrophobicContact CD1-CD1 4.37Å; I513-F542 HydrophobicContact CD1-CD2 4.14Å; I513-F542 HydrophobicContact CD1-CE1 4.23Å; I513-F542 HydrophobicContact CD1-CE2 4.02Å; I513-F542 HydrophobicContact CD1-CG 4.31Å; I513-F542 HydrophobicContact CD1-CZ 4.06Å; I513-F542 HydrophobicContact CG1-CB 4.47Å; I513-F542 HydrophobicContact CG1-CD1 3.6Å; I513-F542 HydrophobicContact CG1-CD2 4.15Å; I513-F542 HydrophobicContact CG1-CE1 3.74Å; I513-F542 HydrophobicContact CG1-CE2 4.3Å; I513-F542 HydrophobicContact CG1-CG 3.81Å; I513-F542 HydrophobicContact CG1-CZ 4.1Å; I521-F542 HydrophobicContact CD1-CB 4.46Å; I521-F542 HydrophobicContact CG2-CB 4.26Å; I521-F542 HydrophobicContact CG2-CD1 3.89Å; I521-F542 HydrophobicContact CG2-CG 4.49Å; Q524-F542 HydrophobicContact CB-CE1 3.86Å; Q524-F542 HydrophobicContact CB-CZ 3.82Å; Q524-F542 HydrophobicContact CG-CD1 3.88Å; Q524-F542 HydrophobicContact CG-CE1 3.46Å; Q524-F542 VanDerWaalsContact CG-CE1 3.46Å; Q524-F542 HydrophobicContact CG-CZ 3.83Å; L540-F542 HydrophobicContact CB-CE2 4.08Å; L540-F542 HydrophobicContact CB-CZ 4.39Å; F542-I544 HydrophobicContact CB-CG2 4.04Å; F542-I544 PolarHBondContact O-N 3.04Å |
| 543 | H | 90.6 | Very high | 90.6 | Very high | 143 Ų | 143 | 48.8 Ų | 48.8 | 66% | 0.662 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 43.9 | -179.5 | -68.7 | -73.7 | 0 | 0 | 0 | 113.8 | F446 I521 | F446-H543 HydrophobicContact CE1-CB 4.46Å; I521-H543 VanDerWaalsContact CD1-C 3.46Å; I521-H543 HydrophobicContact CD1-CB 4.05Å; I521-H543 VanDerWaalsContact CD1-N 3.31Å |
| 544 | I | 89.2 | Confident | 91.5 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.7 | 171 | -172.3 | 162.2 | 0 | 0 | 0 | 108.9 | F446 L447 L520 I521 F542 L549 | F446-I544 WeakPolarHBondContact CA-O 3.18Å; L447-I544 HydrophobicContact CB-CG2 3.92Å; L447-I544 HydrophobicContact CD2-CG2 4.47Å; L447-I544 PolarHBondContact N-O 3.44Å; L447-I544 VanDerWaalsContact N-O 3.13Å; L520-I544 HydrophobicContact CB-CD1 4.22Å; L520-I544 HydrophobicContact CD1-CD1 4.15Å; I521-I544 HydrophobicContact CD1-CB 4.25Å; I521-I544 HydrophobicContact CG2-CG2 4.49Å; F542-I544 HydrophobicContact CB-CG2 4.04Å; F542-I544 PolarHBondContact O-N 3.04Å; I544-L549 HydrophobicContact CD1-CD2 3.63Å; I544-L549 HydrophobicContact CG1-CD2 3.87Å; I544-L549 HydrophobicContact CG2-CD2 3.98Å |
| 545 | L | 91.6 | Very high | 91.8 | Very high | 65 Ų | 65 | 38.3 Ų | 38.3 | 34% | 0.34 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 136.2 | 179.9 | -72.5 | 170.5 | 0 | 0 | 0 | 109.7 | G445 F446 A547 D548 | G445-L545 WeakPolarHBondContact O-CA 3.37Å; F446-L545 HydrophobicContact CD1-CD2 4.17Å; F446-L545 HydrophobicContact CE1-CD2 3.87Å; F446-L545 HydrophobicContact CE1-CG 4.16Å; F446-L545 HydrophobicContact CZ-CD2 4.27Å; L545-A547 PolarHBondContact O-N 2.92Å; L545-D548 HydrophobicContact CB-CB 4.08Å; L545-D548 WeakPolarHBondContact CD1-OD2 2.78Å; L545-D548 WeakPolarHBondContact O-CB 3.49Å; L545-D548 PolarHBondContact O-N 2.92Å |
| 546 | L | 92.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -55.6 | -40.5 | 178.4 | -74.6 | 171.9 | 0 | 0 | 0 | 111.9 | L440 L443 G445 L447 D548 L549 M592 P637 | L440-L546 HydrophobicContact CD1-CB 4.38Å; L440-L546 WeakPolarHBondContact CD1-O 3.45Å; L440-L546 WeakPolarHBondContact CD2-O 3.43Å; L440-L546 VanDerWaalsContact CG-O 3.29Å; L440-L546 WeakPolarHBondContact CG-O 3.46Å; L443-L546 HydrophobicContact CB-CB 4.38Å; L443-L546 HydrophobicContact CB-CD1 4.49Å; L443-L546 HydrophobicContact CD1-CD1 4.23Å; G445-L546 PolarHBondContact O-N 3.15Å; L447-L546 HydrophobicContact CB-CD2 4.17Å; L447-L546 HydrophobicContact CD1-CD2 4.04Å; L546-D548 PolarHBondContact O-N 3.25Å; L546-L549 HydrophobicContact CD2-CD1 3.85Å; L546-L549 PolarHBondContact O-N 2.93Å; L546-M592 HydrophobicContact CD2-CE 3.68Å; L546-M592 HydrophobicContact CD2-SD 4.26Å; L546-P637 HydrophobicContact CD1-CG 3.69Å |
| 547 | A | 90.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -65.1 | -20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L440 L545 R800 | L440-A547 WeakPolarHBondContact O-CA 3.22Å; L440-A547 WeakPolarHBondContact O-CB 3.37Å; L545-A547 PolarHBondContact O-N 2.92Å; A547-R800 VanDerWaalsContact CB-NH1 3.27Å; A547-R800 WeakPolarHBondContact O-CD 3.18Å; A547-R800 WeakPolarHBondContact O-CG 3.35Å |
| 548 | D | 90.4 | Very high | 92 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -97.1 | 5.1 | -175.5 | -72.1 | -11.3 | 0 | 0 | 0 | 112.6 | L545 L546 C798 R800 | L545-D548 HydrophobicContact CB-CB 4.08Å; L545-D548 WeakPolarHBondContact CD1-OD2 2.78Å; L545-D548 WeakPolarHBondContact O-CB 3.49Å; L545-D548 PolarHBondContact O-N 2.92Å; L546-D548 PolarHBondContact O-N 3.25Å; D548-C798 WeakPolarHBondContact CB-O 3.4Å; D548-C798 WeakPolarHBondContact O-CA 3.43Å; D548-R800 WeakPolarHBondContact OD1-CD 3.49Å; D548-R800 WeakPolarHBondContact OD1-CG 3.34Å; D548-R800 IonicContact OD1-CZ 3.28Å; D548-R800 IonicContact OD1-NE 3.8Å; D548-R800 PolarHBondContact OD1-NE 2.88Å; D548-R800 IonicContact OD1-NH2 2.96Å; D548-R800 PolarHBondContact OD1-NH2 2.8Å |
| 549 | L | 91.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | trans | -77.1 | 128.5 | -177.1 | -67.7 | 168.4 | 0 | 0 | 0 | 112.7 | I544 L546 T553 L585 F586 | I544-L549 HydrophobicContact CD1-CD2 3.63Å; I544-L549 HydrophobicContact CG1-CD2 3.87Å; I544-L549 HydrophobicContact CG2-CD2 3.98Å; L546-L549 HydrophobicContact CD2-CD1 3.85Å; L546-L549 PolarHBondContact O-N 2.93Å; L549-T553 HydrophobicContact CD2-CG2 4.15Å; L549-L585 HydrophobicContact CD1-CD2 3.6Å; L549-F586 HydrophobicContact CB-CE2 4.41Å; L549-F586 HydrophobicContact CB-CZ 4.33Å | ||
| 550 | P | 88.3 | Confident | 91.6 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | trans | -75.3 | 174.2 | 177 | 30.3 | -35.3 | 0 | 0 | 0 | 113.6 | H515 L520 T553 F586 R644 W797 | H515-P550 HydrophobicContact CB-CG 3.87Å; L520-P550 HydrophobicContact CD1-CG 3.78Å; L520-P550 HydrophobicContact CD2-CG 4.47Å; P550-T553 VanDerWaalsContact CD-OG1 3.23Å; P550-T553 WeakPolarHBondContact CD-OG1 3.44Å; P550-T553 WeakPolarHBondContact CG-OG1 3.44Å; P550-T553 WeakPolarHBondContact O-CB 3.42Å; P550-T553 PolarHBondContact O-N 3.07Å; P550-T553 PolarHBondContact O-OG1 3.05Å; P550-F586 WeakPolarHBondContact O-CE2 3.49Å; P550-R644 VanDerWaalsContact C-NH1 3.27Å; P550-W797 HydrophobicContact CB-CB 4.36Å | ||
| 551 | I | 81.7 | Confident | 91.3 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 9% | 0.087 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -51.1 | -168.2 | -131.6 | 162.4 | 0 | 0 | 0 | 110.4 | T553 F586 | I551-T553 PolarHBondContact O-N 3.04Å; I551-F586 WeakPolarHBondContact O-CD2 3.18Å |
| 552 | A | 84.5 | Confident | 90.9 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 2% | 0.017 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 32.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | H515 G516 R554 A853 | H515-A552 WeakPolarHBondContact CA-O 3.33Å; G516-A552 PolarHBondContact N-O 3.13Å; A552-R554 PolarHBondContact O-N 2.97Å; A552-A853 HydrophobicContact CB-CB 3.86Å; A552-A853 WeakPolarHBondContact CB-O 3.35Å |
| 553 | T | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 121.7 | 172.9 | -62.4 | 0 | 0 | 0 | 0 | 108.5 | I513 F514 L549 P550 I551 L585 | I513-T553 HydrophobicContact CG2-CG2 3.83Å; F514-T553 CarbonylContact O-C 3.58Å; F514-T553 VanDerWaalsContact O-CA 3.23Å; F514-T553 WeakPolarHBondContact O-CA 3.39Å; L549-T553 HydrophobicContact CD2-CG2 4.15Å; P550-T553 VanDerWaalsContact CD-OG1 3.23Å; P550-T553 WeakPolarHBondContact CD-OG1 3.44Å; P550-T553 WeakPolarHBondContact CG-OG1 3.44Å; P550-T553 WeakPolarHBondContact O-CB 3.42Å; P550-T553 PolarHBondContact O-N 3.07Å; P550-T553 PolarHBondContact O-OG1 3.05Å; I551-T553 PolarHBondContact O-N 3.04Å; T553-L585 HydrophobicContact CG2-CB 3.93Å; T553-L585 HydrophobicContact CG2-CD2 3.7Å; T553-L585 HydrophobicContact CG2-CG 4.5Å; T553-L585 WeakPolarHBondContact O-CB 3.37Å; T553-L585 PolarHBondContact O-N 3.29Å |
| 554 | R | 91 | Very high | 90 | Very high | 8 Ų | 8 | 22 Ų | 22 | 3% | 0.03 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.2 | 176.4 | -64.3 | -179.2 | -172.7 | 175.8 | 6.3 | 109.8 | I513 F514 A552 V583 P616 A886 T888 | I513-R554 WeakPolarHBondContact CA-O 3.4Å; F514-R554 PolarHBondContact N-O 2.98Å; F514-R554 PolarHBondContact O-N 3.15Å; A552-R554 PolarHBondContact O-N 2.97Å; R554-V583 CarbonylContact C-O 3.48Å; R554-V583 WeakPolarHBondContact CA-O 3.36Å; R554-P616 PolarHBondContact NH1-O 3.47Å; R554-A886 PolarHBondContact NH2-O 2.86Å; R554-A886 VanDerWaalsContact NH2-O 3.14Å; R554-T888 PolarHBondContact NH2-OG1 3.35Å |
| 555 | I | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.6 | 165.7 | -56.2 | 172.9 | 0 | 0 | 0 | 106.5 | V449 V511 I513 V557 N582 V583 L585 I634 | V449-I555 HydrophobicContact CG2-CD1 3.92Å; V511-I555 HydrophobicContact CG1-CG2 3.62Å; I513-I555 HydrophobicContact CD1-CB 4.37Å; I513-I555 HydrophobicContact CD1-CG1 3.82Å; I513-I555 HydrophobicContact CD1-CG2 4.24Å; I555-V557 HydrophobicContact CG2-CG2 4.12Å; I555-N582 CarbonylContact O-C 3.59Å; I555-N582 WeakPolarHBondContact O-CA 3.3Å; I555-V583 HydrophobicContact CB-CG1 3.7Å; I555-V583 HydrophobicContact CD1-CG1 4.31Å; I555-V583 HydrophobicContact CG1-CG1 4.36Å; I555-V583 HydrophobicContact CG2-CG1 4.47Å; I555-V583 PolarHBondContact N-O 3.15Å; I555-V583 PolarHBondContact O-N 2.89Å; I555-L585 HydrophobicContact CD1-CD1 4.01Å; I555-I634 HydrophobicContact CD1-CD1 3.55Å; I555-I634 HydrophobicContact CD1-CG1 4.02Å |
| 556 | C | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.4 | 178 | -61.7 | 0 | 0 | 0 | 0 | 108.9 | V511 G512 F514 N582 L614 | V511-C556 CarbonylContact C-O 3.58Å; V511-C556 WeakPolarHBondContact CA-O 3.47Å; G512-C556 PolarHBondContact N-O 3.36Å; G512-C556 PolarHBondContact O-N 2.71Å; F514-C556 HydrophobicContact CD2-CB 3.86Å; F514-C556 VanDerWaalsContact CD2-SG 3.54Å; F514-C556 HydrophobicContact CE2-CB 3.77Å; C556-N582 WeakPolarHBondContact CA-OD1 3.47Å; C556-N582 WeakPolarHBondContact CB-OD1 3.26Å; C556-N582 PolarHBondContact SG-OD1 2.94Å; C556-L614 HydrophobicContact CB-CD2 4.03Å; C556-L614 WeakPolarHBondContact O-CD2 3.5Å |
| 557 | V | 95.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.3 | -175.1 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | V509 R510 V511 I555 W580 G581 L599 V630 I632 | V509-V557 HydrophobicContact CG1-CG1 3.51Å; R510-V557 CarbonylContact O-C 3.52Å; R510-V557 WeakPolarHBondContact O-CA 3.41Å; V511-V557 HydrophobicContact CG1-CG2 4.38Å; V511-V557 HydrophobicContact CG2-CG1 4.47Å; V511-V557 HydrophobicContact CG2-CG2 4.26Å; I555-V557 HydrophobicContact CG2-CG2 4.12Å; V557-W580 CarbonylContact O-C 3.59Å; V557-W580 WeakPolarHBondContact O-CA 3.33Å; V557-G581 PolarHBondContact N-O 3.4Å; V557-G581 PolarHBondContact O-N 3.1Å; V557-L599 HydrophobicContact CB-CD1 3.73Å; V557-L599 HydrophobicContact CG1-CD1 4.26Å; V557-L599 HydrophobicContact CG2-CD1 3.47Å; V557-L599 VanDerWaalsContact CG2-CD1 3.47Å; V557-V630 HydrophobicContact CG1-CG1 4.08Å; V557-I632 HydrophobicContact CG2-CD1 4.47Å; V557-I632 HydrophobicContact CG2-CG2 4.43Å |
| 558 | A | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | V509 R510 I560 L577 G579 S613 L614 | V509-A558 WeakPolarHBondContact CA-O 3.45Å; R510-A558 PolarHBondContact N-O 3.29Å; R510-A558 PolarHBondContact O-N 3.49Å; A558-I560 HydrophobicContact CB-CD1 4.46Å; A558-I560 HydrophobicContact CB-CG1 4.28Å; A558-L577 HydrophobicContact CB-CD1 3.81Å; A558-G579 WeakPolarHBondContact CA-O 3.35Å; A558-S613 WeakPolarHBondContact CB-O 3.35Å; A558-L614 HydrophobicContact CB-CD2 3.73Å; A558-L614 HydrophobicContact CB-CG 4.41Å |
| 559 | L | 94.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.4 | 170.6 | 179.5 | 64.8 | 0 | 0 | 0 | 109.2 | A454 Y507 V509 L534 W536 Y578 G579 L601 F628 V630 | A454-L559 HydrophobicContact CB-CD1 4.4Å; Y507-L559 HydrophobicContact CD1-CD1 4.45Å; V509-L559 HydrophobicContact CG2-CD1 4.07Å; L534-L559 HydrophobicContact CD1-CD1 4.47Å; W536-L559 HydrophobicContact CH2-CD1 4.28Å; L559-Y578 PolarHBondContact O-N 2.99Å; L559-G579 PolarHBondContact N-O 3.4Å; L559-L601 HydrophobicContact CB-CD1 3.62Å; L559-L601 HydrophobicContact CD2-CD1 4.17Å; L559-F628 HydrophobicContact CD2-CB 4.17Å; L559-F628 HydrophobicContact CD2-CD1 3.53Å; L559-F628 HydrophobicContact CD2-CE1 4.11Å; L559-F628 HydrophobicContact CD2-CG 3.99Å; L559-V630 HydrophobicContact CB-CG2 4.4Å |
| 560 | I | 91.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.4 | -172.6 | -53.9 | 170.8 | 0 | 0 | 0 | 109 | Y507 V508 R510 A558 E575 Y576 L577 | Y507-I560 CarbonylContact C-O 3.49Å; Y507-I560 WeakPolarHBondContact CA-O 3.48Å; V508-I560 HydrophobicContact CG2-CB 3.86Å; V508-I560 HydrophobicContact CG2-CG2 4.4Å; V508-I560 PolarHBondContact N-O 3.31Å; V508-I560 PolarHBondContact O-N 2.86Å; R510-I560 HydrophobicContact CB-CD1 3.89Å; A558-I560 HydrophobicContact CB-CD1 4.46Å; A558-I560 HydrophobicContact CB-CG1 4.28Å; I560-E575 HydrophobicContact CG2-CB 3.74Å; I560-E575 HydrophobicContact CG2-CG 4.07Å; I560-Y576 WeakPolarHBondContact CA-O 3.33Å; I560-L577 HydrophobicContact CG1-CD1 4.38Å |
| 561 | R | 89.4 | Confident | 82.7 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128 | 166.5 | 176.3 | -179.8 | 173.6 | -175.2 | 1.3 | 109.6 | A501 D504 S506 Y507 Y576 Y578 | A501-R561 PolarHBondContact O-NH2 3.43Å; A501-R561 VanDerWaalsContact O-NH2 3.14Å; D504-R561 PolarHBondContact O-NE 2.89Å; D504-R561 PolarHBondContact O-NH2 2.91Å; S506-R561 CarbonylContact O-C 3.58Å; S506-R561 WeakPolarHBondContact O-CA 3.48Å; Y507-R561 HydrophobicContact CD1-CB 3.97Å; Y507-R561 HydrophobicContact CE1-CB 3.84Å; Y507-R561 HydrophobicContact CE1-CG 4.18Å; R561-Y576 PolarHBondContact N-O 2.93Å; R561-Y576 PolarHBondContact O-N 3.22Å; R561-Y578 HydrophobicContact CB-CD2 3.81Å; R561-Y578 HydrophobicContact CB-CE2 3.46Å; R561-Y578 VanDerWaalsContact CB-CE2 3.46Å; R561-Y578 HydrophobicContact CG-CE2 4.21Å; R561-Y578 PolarHBondContact NH1-OH 3.12Å; R561-Y578 VanDerWaalsContact NH1-OH 3.08Å |
| 562 | I | 88.1 | Confident | 82.5 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.1 | 174.3 | -58.1 | 178 | 0 | 0 | 0 | 107.6 | G505 S506 V508 E528 F573 | G505-I562 WeakPolarHBondContact CA-O 3.22Å; S506-I562 PolarHBondContact N-O 2.93Å; S506-I562 PolarHBondContact O-N 3.22Å; V508-I562 HydrophobicContact CB-CD1 4.44Å; V508-I562 HydrophobicContact CG1-CD1 3.7Å; V508-I562 HydrophobicContact CG2-CD1 3.85Å; V508-I562 HydrophobicContact CG2-CG1 4.19Å; E528-I562 HydrophobicContact CG-CD1 4.15Å; I562-F573 HydrophobicContact CG2-CB 4.32Å; I562-F573 HydrophobicContact CG2-CD1 3.78Å |
| 563 | R | 83.9 | Confident | 82.2 | Confident | 99 Ų | 99 | 71.8 Ų | 71.8 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.8 | 171.1 | -161.2 | 178.7 | -172.5 | -175.4 | 1.5 | 110 | D504 C574 Y576 | D504-R563 IonicContact OD2-CZ 2.69Å; D504-R563 IonicContact OD2-NE 3.22Å; D504-R563 PolarHBondContact OD2-NE 3.01Å; D504-R563 IonicContact OD2-NH2 3.37Å; D504-R563 PolarHBondContact OD2-NH2 3.5Å; R563-C574 PolarHBondContact N-O 3.3Å; R563-C574 PolarHBondContact O-N 2.94Å; R563-Y576 HydrophobicContact CB-CD2 4.38Å; R563-Y576 HydrophobicContact CB-CE2 3.82Å |
| 564 | R | 81.4 | Confident | 81.9 | Confident | 162 Ų | 162 | 73.7 Ų | 73.7 | 61% | 0.611 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.2 | 175.6 | -164.2 | 175.7 | -177.7 | 171.8 | 5.4 | 109.2 | V571 F573 | R564-V571 HydrophobicContact CG-CG1 3.51Å; R564-F573 HydrophobicContact CB-CD1 4.45Å; R564-F573 HydrophobicContact CB-CE1 4.35Å; R564-F573 HydrophobicContact CG-CD1 4.34Å; R564-F573 HydrophobicContact CG-CE1 3.95Å; R564-F573 HydrophobicContact CG-CZ 4.41Å |
| 565 | I | 76.5 | Confident | 81.7 | Confident | 68 Ų | 68 | 78 Ų | 78 | 35% | 0.349 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.7 | 175.3 | -55.1 | -176.5 | 0 | 0 | 0 | 108 | R572 C574 | I565-R572 PolarHBondContact N-O 3.18Å; I565-R572 PolarHBondContact O-N 3.42Å; I565-C574 HydrophobicContact CD1-CB 4.36Å |
| 566 | V | 74 | Confident | 81.3 | Confident | 102 Ų | 102 | 83.2 Ų | 83.2 | 62% | 0.618 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.6 | 176 | -174.6 | 0 | 0 | 0 | 0 | 108 | V571 | V566-V571 HydrophobicContact CG2-CG2 4.4Å |
| 567 | D | 72.1 | Confident | 81 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.8 | 173.9 | -162.1 | 2.6 | 0 | 0 | 0 | 110.4 | K569 N570 | D567-K569 VanDerWaalsContact C-N 3.34Å; D567-K569 PolarHBondContact O-N 2.82Å; D567-N570 PolarHBondContact N-O 2.91Å; D567-N570 PolarHBondContact O-N 3.26Å |
| 568 | R | 56.7 | Low | 80.6 | Confident | 239 Ų | 239 | 87.9 Ų | 87.9 | 90% | 0.902 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.2 | 57.8 | 176 | -65.4 | -179.2 | 178.9 | -173.7 | 0.6 | 115.1 | ||
| 569 | K | 66.4 | Low | 80.5 | Confident | 203 Ų | 203 | 87.9 Ų | 87.9 | 88% | 0.883 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -10.8 | 179.5 | -55.2 | -179.1 | 176.8 | -179.2 | 0 | 117.4 | D567 | D567-K569 VanDerWaalsContact C-N 3.34Å; D567-K569 PolarHBondContact O-N 2.82Å |
| 570 | N | 64.1 | Low | 80.4 | Confident | 116 Ų | 116 | 87.9 Ų | 87.9 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.6 | 171.4 | -78.8 | -13.8 | 0 | 0 | 0 | 110.5 | D567 | D567-N570 PolarHBondContact N-O 2.91Å; D567-N570 PolarHBondContact O-N 3.26Å |
| 571 | V | 70.6 | Confident | 80.4 | Confident | 57 Ų | 57 | 88 Ų | 88 | 35% | 0.345 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 116.8 | 170.1 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | R564 V566 F573 | R564-V571 HydrophobicContact CG-CG1 3.51Å; V566-V571 HydrophobicContact CG2-CG2 4.4Å; V571-F573 HydrophobicContact CG1-CD2 4.32Å; V571-F573 HydrophobicContact CG1-CE2 3.78Å; V571-F573 HydrophobicContact CG1-CZ 3.9Å |
| 572 | R | 77 | Confident | 80.5 | Confident | 182 Ų | 182 | 87 Ų | 87 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.6 | 167.9 | -74.2 | -175.3 | 178.3 | 178 | -0.9 | 109.2 | I565 | I565-R572 PolarHBondContact N-O 3.18Å; I565-R572 PolarHBondContact O-N 3.42Å |
| 573 | F | 78.6 | Confident | 80.7 | Confident | 119 Ų | 119 | 86.9 Ų | 86.9 | 52% | 0.522 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.5 | 170.3 | -63.9 | -88.9 | 0 | 0 | 0 | 107.8 | I562 R564 V571 | I562-F573 HydrophobicContact CG2-CB 4.32Å; I562-F573 HydrophobicContact CG2-CD1 3.78Å; R564-F573 HydrophobicContact CB-CD1 4.45Å; R564-F573 HydrophobicContact CB-CE1 4.35Å; R564-F573 HydrophobicContact CG-CD1 4.34Å; R564-F573 HydrophobicContact CG-CE1 3.95Å; R564-F573 HydrophobicContact CG-CZ 4.41Å; V571-F573 HydrophobicContact CG1-CD2 4.32Å; V571-F573 HydrophobicContact CG1-CE2 3.78Å; V571-F573 HydrophobicContact CG1-CZ 3.9Å |
| 574 | C | 83.8 | Confident | 81 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 27% | 0.27 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.9 | 172.9 | -66.6 | 0 | 0 | 0 | 0 | 108.5 | R563 I565 Y576 | R563-C574 PolarHBondContact N-O 3.3Å; R563-C574 PolarHBondContact O-N 2.94Å; I565-C574 HydrophobicContact CD1-CB 4.36Å; C574-Y576 HydrophobicContact CB-CE2 3.73Å |
| 575 | E | 87.5 | Confident | 81.5 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 133.6 | 173.1 | -65.2 | -166.9 | 171.4 | 0 | 0 | 109.7 | R510 I560 | R510-E575 IonicContact CZ-OE1 2.88Å; R510-E575 IonicContact CZ-OE2 2.88Å; R510-E575 IonicContact NH1-OE1 2.78Å; R510-E575 IonicContact NH1-OE2 2.68Å; R510-E575 PolarHBondContact NH1-OE2 2.77Å; R510-E575 VanDerWaalsContact NH2-CD 3.33Å; R510-E575 IonicContact NH2-OE1 2.74Å; R510-E575 PolarHBondContact NH2-OE1 3.4Å; R510-E575 IonicContact NH2-OE2 3.72Å; R510-E575 PolarHBondContact NH2-OE2 3.05Å; R510-E575 VanDerWaalsContact NH2-OE2 3.09Å; I560-E575 HydrophobicContact CG2-CB 3.74Å; I560-E575 HydrophobicContact CG2-CG 4.07Å |
| 576 | Y | 86.8 | Confident | 82.2 | Confident | 109 Ų | 109 | 71.7 Ų | 71.7 | 43% | 0.427 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.4 | 174 | -61.4 | -87.4 | 0 | 0 | 0 | 108.8 | I560 R561 R563 C574 Y578 | I560-Y576 WeakPolarHBondContact CA-O 3.33Å; R561-Y576 PolarHBondContact N-O 2.93Å; R561-Y576 PolarHBondContact O-N 3.22Å; R563-Y576 HydrophobicContact CB-CD2 4.38Å; R563-Y576 HydrophobicContact CB-CE2 3.82Å; C574-Y576 HydrophobicContact CB-CE2 3.73Å; Y576-Y578 PolarHBondContact O-N 3.47Å |
| 577 | L | 88.4 | Confident | 82.8 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 118.4 | 175.7 | -179.2 | 63.6 | 0 | 0 | 0 | 109.8 | A558 I560 G579 P604 S613 | A558-L577 HydrophobicContact CB-CD1 3.81Å; I560-L577 HydrophobicContact CG1-CD1 4.38Å; L577-G579 WeakPolarHBondContact CD1-O 3.44Å; L577-P604 HydrophobicContact CB-CG 4.26Å; L577-P604 HydrophobicContact CD2-CB 4.15Å; L577-P604 HydrophobicContact CD2-CG 4.04Å; L577-P604 HydrophobicContact CG-CG 4.03Å; L577-P604 WeakPolarHBondContact O-CG 3.35Å; L577-S613 VanDerWaalsContact CD1-O 3.31Å; L577-S613 WeakPolarHBondContact CD1-O 3.45Å |
| 578 | Y | 87.5 | Confident | 83.1 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -36.1 | 173.1 | -92.7 | -79.8 | 0 | 0 | 0 | 112.2 | Y507 L559 R561 Y576 F628 | Y507-Y578 HydrophobicContact CE1-CD2 4.02Å; Y507-Y578 AromaticContact CE1-CE2 3.75Å; Y507-Y578 HydrophobicContact CE1-CE2 3.75Å; L559-Y578 PolarHBondContact O-N 2.99Å; R561-Y578 HydrophobicContact CB-CD2 3.81Å; R561-Y578 HydrophobicContact CB-CE2 3.46Å; R561-Y578 VanDerWaalsContact CB-CE2 3.46Å; R561-Y578 HydrophobicContact CG-CE2 4.21Å; R561-Y578 PolarHBondContact NH1-OH 3.12Å; R561-Y578 VanDerWaalsContact NH1-OH 3.08Å; Y576-Y578 PolarHBondContact O-N 3.47Å; Y578-F628 HydrophobicContact CD1-CD2 4.33Å; Y578-F628 HydrophobicContact CD1-CE1 4.16Å; Y578-F628 AromaticContact CD1-CE2 3.37Å; Y578-F628 HydrophobicContact CD1-CE2 3.37Å; Y578-F628 AromaticContact CD1-CZ 3.25Å; Y578-F628 HydrophobicContact CD1-CZ 3.25Å; Y578-F628 HydrophobicContact CE1-CE2 4.02Å; Y578-F628 AromaticContact CE1-CZ 3.59Å; Y578-F628 HydrophobicContact CE1-CZ 3.59Å; Y578-F628 HydrophobicContact CG-CE1 4.49Å; Y578-F628 HydrophobicContact CG-CE2 4.17Å; Y578-F628 AromaticContact CG-CZ 3.96Å; Y578-F628 HydrophobicContact CG-CZ 3.96Å |
| 579 | G | 91 | Very high | 84.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.4 | 167.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A558 L559 L577 W602 | A558-G579 WeakPolarHBondContact CA-O 3.35Å; L559-G579 PolarHBondContact N-O 3.4Å; L577-G579 WeakPolarHBondContact CD1-O 3.44Å; G579-W602 CarbonylContact C-O 3.56Å; G579-W602 WeakPolarHBondContact CA-O 3.29Å |
| 580 | W | 92.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 158.3 | -177.7 | 61.8 | -87.8 | 0 | 0 | 0 | 110.7 | V557 L601 W602 P603 H615 T619 D925 | V557-W580 CarbonylContact O-C 3.59Å; V557-W580 WeakPolarHBondContact O-CA 3.33Å; W580-L601 CarbonylContact O-C 3.57Å; W580-L601 WeakPolarHBondContact O-CA 3.3Å; W580-W602 HydrophobicContact CD2-CB 4.03Å; W580-W602 VanDerWaalsContact CE2-CB 3.44Å; W580-W602 HydrophobicContact CH2-CB 4.09Å; W580-W602 AromaticContact CH2-CD1 3.66Å; W580-W602 AromaticContact CH2-CG 3.91Å; W580-W602 HydrophobicContact CH2-CG 3.91Å; W580-W602 HydrophobicContact CZ2-CB 3.46Å; W580-W602 VanDerWaalsContact CZ2-CB 3.46Å; W580-W602 AromaticContact CZ2-CD1 3.95Å; W580-W602 AromaticContact CZ2-CG 3.74Å; W580-W602 HydrophobicContact CZ2-CG 3.74Å; W580-W602 AromaticContact CZ3-CD1 3.91Å; W580-W602 HydrophobicContact CZ3-CG 4.48Å; W580-W602 PolarHBondContact N-O 3.48Å; W580-W602 PolarHBondContact O-N 3.42Å; W580-P603 PolarHBondContact NE1-O 3.44Å; W580-H615 HydrophobicContact CD2-CB 3.71Å; W580-H615 AromaticContact CE2-CD2 3.62Å; W580-H615 HydrophobicContact CE3-CB 3.94Å; W580-H615 HydrophobicContact CG-CB 3.95Å; W580-H615 AromaticContact CH2-CD2 3.72Å; W580-H615 AromaticContact CZ2-CD2 3.47Å; W580-H615 VanDerWaalsContact CZ2-CD2 3.47Å; W580-H615 WeakPolarHBondContact CZ2-CD2 3.32Å; W580-T619 HydrophobicContact CH2-CG2 4.16Å; W580-T619 WeakPolarHBondContact CZ3-O 3.37Å; W580-D925 HydrophobicContact CH2-CB 4.29Å; W580-D925 HydrophobicContact CZ2-CB 4.39Å |
| 581 | G | 92.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 139.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V557 | V557-G581 PolarHBondContact N-O 3.4Å; V557-G581 PolarHBondContact O-N 3.1Å |
| 582 | N | 91.3 | Very high | 87.6 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.9 | -179 | -60.4 | -26.7 | 0 | 0 | 0 | 110.5 | I555 C556 H615 G618 V620 | I555-N582 CarbonylContact O-C 3.59Å; I555-N582 WeakPolarHBondContact O-CA 3.3Å; C556-N582 WeakPolarHBondContact CA-OD1 3.47Å; C556-N582 WeakPolarHBondContact CB-OD1 3.26Å; C556-N582 PolarHBondContact SG-OD1 2.94Å; N582-H615 PolarHBondContact ND2-O 2.96Å; N582-G618 PolarHBondContact ND2-O 3.41Å; N582-V620 HydrophobicContact CB-CG1 4Å; N582-V620 WeakPolarHBondContact O-CA 3.33Å |
| 583 | V | 91.5 | Very high | 88.3 | Confident | 14 Ų | 14 | 36.7 Ų | 36.7 | 9% | 0.085 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.5 | 168.2 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | R554 I555 L585 I593 I597 L599 I632 | R554-V583 CarbonylContact C-O 3.48Å; R554-V583 WeakPolarHBondContact CA-O 3.36Å; I555-V583 HydrophobicContact CB-CG1 3.7Å; I555-V583 HydrophobicContact CD1-CG1 4.31Å; I555-V583 HydrophobicContact CG1-CG1 4.36Å; I555-V583 HydrophobicContact CG2-CG1 4.47Å; I555-V583 PolarHBondContact N-O 3.15Å; I555-V583 PolarHBondContact O-N 2.89Å; V583-L585 PolarHBondContact O-N 2.86Å; V583-I593 HydrophobicContact CG2-CD1 4.02Å; V583-I597 HydrophobicContact CG2-CD1 4.28Å; V583-L599 HydrophobicContact CB-CD2 4.22Å; V583-I632 HydrophobicContact CG1-CD1 4.27Å |
| 584 | S | 90.3 | Very high | 89 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 126.3 | 165.6 | -68.2 | 0 | 0 | 0 | 0 | 108.2 | F586 I593 T888 | S584-F586 WeakPolarHBondContact CB-O 3.26Å; S584-F586 PolarHBondContact O-N 3.26Å; S584-I593 WeakPolarHBondContact O-CD1 3.41Å; S584-T888 WeakPolarHBondContact OG-CG2 3.43Å |
| 585 | L | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -65.8 | -24.9 | -178.8 | -176 | 58.1 | 0 | 0 | 0 | 112.2 | L447 L549 T553 I555 V583 M592 I593 I634 | L447-L585 HydrophobicContact CD1-CD2 4.31Å; L447-L585 HydrophobicContact CD2-CD2 4.41Å; L549-L585 HydrophobicContact CD1-CD2 3.6Å; T553-L585 HydrophobicContact CG2-CB 3.93Å; T553-L585 HydrophobicContact CG2-CD2 3.7Å; T553-L585 HydrophobicContact CG2-CG 4.5Å; T553-L585 WeakPolarHBondContact O-CB 3.37Å; T553-L585 PolarHBondContact O-N 3.29Å; I555-L585 HydrophobicContact CD1-CD1 4.01Å; V583-L585 PolarHBondContact O-N 2.86Å; L585-M592 HydrophobicContact CD1-CE 3.9Å; L585-M592 HydrophobicContact CD1-CG 4.02Å; L585-M592 HydrophobicContact CD2-CE 4.37Å; L585-M592 HydrophobicContact CG-CE 4.42Å; L585-M592 HydrophobicContact CG-CG 4.08Å; L585-M592 CarbonylContact O-C 3.6Å; L585-M592 WeakPolarHBondContact O-CA 3.42Å; L585-I593 PolarHBondContact O-N 2.87Å; L585-I634 HydrophobicContact CD1-CD1 3.92Å; L585-I634 HydrophobicContact CD1-CG2 4.22Å |
| 586 | F | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -112.7 | 134 | 175.5 | -57.3 | -82.7 | 0 | 0 | 0 | 110.3 | L440 L549 P550 I551 S584 F591 M592 R644 Y889 | L440-F586 HydrophobicContact CD1-CE1 4.35Å; L440-F586 HydrophobicContact CD1-CZ 4.41Å; L440-F586 HydrophobicContact CD2-CE1 3.93Å; L440-F586 HydrophobicContact CD2-CZ 3.63Å; L549-F586 HydrophobicContact CB-CE2 4.41Å; L549-F586 HydrophobicContact CB-CZ 4.33Å; P550-F586 WeakPolarHBondContact O-CE2 3.49Å; I551-F586 WeakPolarHBondContact O-CD2 3.18Å; S584-F586 WeakPolarHBondContact CB-O 3.26Å; S584-F586 PolarHBondContact O-N 3.26Å; F586-F591 CarbonylContact C-O 3.23Å; F586-F591 WeakPolarHBondContact CA-O 3.05Å; F586-M592 HydrophobicContact CD1-CB 4.1Å; F586-M592 HydrophobicContact CE1-CB 3.94Å; F586-M592 HydrophobicContact CE1-CG 4.34Å; F586-R644 HydrophobicContact CD1-CB 4.12Å; F586-R644 HydrophobicContact CE1-CB 3.99Å; F586-R644 HydrophobicContact CE1-CG 4.48Å; F586-Y889 WeakPolarHBondContact O-CE1 3.32Å; F586-Y889 PolarHBondContact O-OH 3.36Å |
| 587 | D | 86 | Confident | 90.2 | Very high | 36 Ų | 36 | 29.7 Ų | 29.7 | 19% | 0.193 | 16% | 0.156 | C | C | . | . | trans | -71.3 | 175.3 | 171.9 | 71.9 | 16.6 | 0 | 0 | 0 | 111.8 | N589 D590 F591 I593 R641 Y889 | D587-N589 PolarHBondContact O-N 3.36Å; D587-N589 VanDerWaalsContact O-N 3.08Å; D587-N589 WeakPolarHBondContact OD1-CA 3.48Å; D587-N589 WeakPolarHBondContact OD1-CB 3.31Å; D587-N589 PolarHBondContact OD1-N 2.75Å; D587-D590 PolarHBondContact O-N 2.92Å; D587-D590 VanDerWaalsContact O-N 3.15Å; D587-D590 PolarHBondContact OD1-N 3.18Å; D587-F591 PolarHBondContact N-O 2.69Å; D587-F591 PolarHBondContact OD1-N 3.13Å; D587-I593 HydrophobicContact CB-CG1 4.43Å; D587-R641 IonicContact OD2-NH2 2.94Å; D587-R641 PolarHBondContact OD2-NH2 3.24Å; D587-Y889 PolarHBondContact O-OH 2.88Å | ||
| 588 | H | 77.9 | Confident | 90.5 | Very high | 49 Ų | 49 | 31.7 Ų | 31.7 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7 | 180 | 62.4 | -85.4 | 0 | 0 | 0 | 114.2 | W143 Y889 | W143-H588 AromaticContact CD1-CD2 3.92Å; W143-H588 AromaticContact CG-CD2 3.86Å; H588-Y889 HydrophobicContact CB-CD1 4.43Å |
| 589 | N | 81.3 | Confident | 90.8 | Very high | 64 Ų | 64 | 29.5 Ų | 29.5 | 34% | 0.342 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 15.4 | 178 | -66.2 | -48.6 | 0 | 0 | 0 | 112.5 | D587 F591 | D587-N589 PolarHBondContact O-N 3.36Å; D587-N589 VanDerWaalsContact O-N 3.08Å; D587-N589 WeakPolarHBondContact OD1-CA 3.48Å; D587-N589 WeakPolarHBondContact OD1-CB 3.31Å; D587-N589 PolarHBondContact OD1-N 2.75Å; N589-F591 VanDerWaalsContact C-N 3.29Å; N589-F591 HydrophobicContact CB-CD2 3.81Å; N589-F591 HydrophobicContact CB-CE2 4.13Å; N589-F591 WeakPolarHBondContact O-CD2 3.48Å; N589-F591 PolarHBondContact O-N 3.38Å |
| 590 | D | 86.8 | Confident | 90.8 | Very high | 36 Ų | 36 | 32 Ų | 32 | 19% | 0.193 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 66.5 | 19.2 | -178.9 | -53.6 | -53.4 | 0 | 0 | 0 | 115.1 | D587 R643 R644 | D587-D590 PolarHBondContact O-N 2.92Å; D587-D590 VanDerWaalsContact O-N 3.15Å; D587-D590 PolarHBondContact OD1-N 3.18Å; D590-R643 HydrophobicContact CB-CG 4.41Å; D590-R643 WeakPolarHBondContact O-CG 3.27Å; D590-R644 HydrophobicContact CB-CB 4.35Å; D590-R644 PolarHBondContact O-N 3.13Å |
| 591 | F | 91.2 | Very high | 90.8 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -92.6 | 136.9 | 174 | -67.6 | -84.3 | 0 | 0 | 0 | 111.4 | F586 D587 N589 I593 R641 I642 R643 | F586-F591 CarbonylContact C-O 3.23Å; F586-F591 WeakPolarHBondContact CA-O 3.05Å; D587-F591 PolarHBondContact N-O 2.69Å; D587-F591 PolarHBondContact OD1-N 3.13Å; N589-F591 VanDerWaalsContact C-N 3.29Å; N589-F591 HydrophobicContact CB-CD2 3.81Å; N589-F591 HydrophobicContact CB-CE2 4.13Å; N589-F591 WeakPolarHBondContact O-CD2 3.48Å; N589-F591 PolarHBondContact O-N 3.38Å; F591-I593 PolarHBondContact O-N 3.08Å; F591-R641 HydrophobicContact CD1-CB 3.89Å; F591-R641 VanDerWaalsContact CD2-NH2 3.3Å; F591-R641 HydrophobicContact CE1-CB 4.1Å; F591-R641 VanDerWaalsContact CG-NH2 3.29Å; F591-I642 CarbonylContact C-O 3.55Å; F591-I642 WeakPolarHBondContact CA-O 3.42Å; F591-R643 HydrophobicContact CD1-CB 3.82Å; F591-R643 HydrophobicContact CD1-CG 4.03Å; F591-R643 HydrophobicContact CE1-CB 3.78Å; F591-R643 HydrophobicContact CE1-CG 3.95Å; F591-R643 HydrophobicContact CG-CG 4.47Å; F591-R643 HydrophobicContact CZ-CG 4.3Å |
| 592 | M | 93.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 5% | 0.054 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -69.5 | 127.3 | 175.8 | -173.1 | -177.8 | 167.3 | 0 | 0 | 109.8 | L440 L447 L546 L585 F586 T594 I634 I642 | L440-M592 HydrophobicContact CD1-SD 4.13Å; L447-M592 HydrophobicContact CD1-CE 4.04Å; L546-M592 HydrophobicContact CD2-CE 3.68Å; L546-M592 HydrophobicContact CD2-SD 4.26Å; L585-M592 HydrophobicContact CD1-CE 3.9Å; L585-M592 HydrophobicContact CD1-CG 4.02Å; L585-M592 HydrophobicContact CD2-CE 4.37Å; L585-M592 HydrophobicContact CG-CE 4.42Å; L585-M592 HydrophobicContact CG-CG 4.08Å; L585-M592 CarbonylContact O-C 3.6Å; L585-M592 WeakPolarHBondContact O-CA 3.42Å; F586-M592 HydrophobicContact CD1-CB 4.1Å; F586-M592 HydrophobicContact CE1-CB 3.94Å; F586-M592 HydrophobicContact CE1-CG 4.34Å; M592-T594 HydrophobicContact CE-CG2 4.43Å; M592-T594 HydrophobicContact CG-CG2 4.29Å; M592-T594 PolarHBondContact O-N 2.77Å; M592-T594 HydrophobicContact SD-CG2 4.46Å; M592-I634 HydrophobicContact CE-CG2 3.92Å; M592-I642 HydrophobicContact CB-CB 4.01Å; M592-I642 HydrophobicContact CB-CG2 4.1Å; M592-I642 PolarHBondContact N-O 3.46Å; M592-I642 HydrophobicContact SD-CD1 4.11Å; M592-I642 HydrophobicContact SD-CG2 4.28Å |
| 593 | I | 92 | Very high | 90.6 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 128.3 | 173.3 | -52.3 | -173.7 | 0 | 0 | 0 | 108.3 | V583 S584 L585 D587 F591 I597 | V583-I593 HydrophobicContact CG2-CD1 4.02Å; S584-I593 WeakPolarHBondContact O-CD1 3.41Å; L585-I593 PolarHBondContact O-N 2.87Å; D587-I593 HydrophobicContact CB-CG1 4.43Å; F591-I593 PolarHBondContact O-N 3.08Å; I593-I597 HydrophobicContact CG2-CD1 3.51Å; I593-I597 HydrophobicContact CG2-CG1 4.21Å |
| 594 | T | 93.5 | Very high | 90.2 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 30% | 0.301 | 21% | 0.209 | S | C | . | . | trans | -136.6 | 164.6 | 178.6 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | M592 N636 | M592-T594 HydrophobicContact CE-CG2 4.43Å; M592-T594 HydrophobicContact CG-CG2 4.29Å; M592-T594 PolarHBondContact O-N 2.77Å; M592-T594 HydrophobicContact SD-CG2 4.46Å; T594-N636 HydrophobicContact CG2-CB 3.88Å | ||
| 595 | G | 93.7 | Very high | 89.3 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.5 | -162.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | K633 I634 | G595-K633 CarbonylContact O-C 3.47Å; G595-K633 VanDerWaalsContact O-CA 3.26Å; G595-K633 WeakPolarHBondContact O-CA 3.32Å; G595-I634 PolarHBondContact N-O 2.91Å; G595-I634 PolarHBondContact O-N 3.14Å |
| 596 | E | 94.8 | Very high | 87.9 | Confident | 116 Ų | 116 | 44.4 Ų | 44.4 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.9 | -175.7 | -72.8 | 175.8 | -162.2 | 0 | 0 | 111.6 | Q631 I632 K633 | E596-Q631 PolarHBondContact OE2-NE2 2.84Å; E596-I632 CarbonylContact C-O 3.5Å; E596-I632 WeakPolarHBondContact CA-O 3.34Å; E596-K633 HydrophobicContact CG-CB 4.05Å; E596-K633 HydrophobicContact CG-CD 3.88Å; E596-K633 HydrophobicContact CG-CG 3.89Å; E596-K633 IonicContact OE1-NZ 3.67Å |
| 597 | I | 94.2 | Very high | 86.6 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 15% | 0.154 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.4 | -178.9 | -52.4 | 172.1 | 0 | 0 | 0 | 107.7 | V583 I593 L599 Q631 I632 I634 | V583-I597 HydrophobicContact CG2-CD1 4.28Å; I593-I597 HydrophobicContact CG2-CD1 3.51Å; I593-I597 HydrophobicContact CG2-CG1 4.21Å; I597-L599 HydrophobicContact CG2-CD2 4.01Å; I597-Q631 WeakPolarHBondContact O-CA 3.12Å; I597-I632 HydrophobicContact CB-CG1 4.04Å; I597-I632 PolarHBondContact N-O 3.14Å; I597-I632 PolarHBondContact O-N 3.06Å; I597-I634 HydrophobicContact CD1-CD1 3.5Å; I597-I634 HydrophobicContact CD1-CG1 4.05Å |
| 598 | T | 94.5 | Very high | 85.5 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 52% | 0.515 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116 | 171.9 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 599 | L | 94 | Very high | 84.6 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 106.8 | 175.4 | -59.5 | 176.7 | 0 | 0 | 0 | 109.2 | V557 V583 I597 L601 S629 V630 I632 | V557-L599 HydrophobicContact CB-CD1 3.73Å; V557-L599 HydrophobicContact CG1-CD1 4.26Å; V557-L599 HydrophobicContact CG2-CD1 3.47Å; V557-L599 VanDerWaalsContact CG2-CD1 3.47Å; V583-L599 HydrophobicContact CB-CD2 4.22Å; I597-L599 HydrophobicContact CG2-CD2 4.01Å; L599-L601 HydrophobicContact CB-CD2 4.16Å; L599-L601 PolarHBondContact O-N 2.88Å; L599-S629 CarbonylContact O-C 3.56Å; L599-S629 VanDerWaalsContact O-CA 3.24Å; L599-S629 WeakPolarHBondContact O-CA 3.28Å; L599-V630 WeakPolarHBondContact CB-O 3.45Å; L599-V630 PolarHBondContact N-O 3.32Å; L599-V630 PolarHBondContact O-N 3.3Å; L599-I632 HydrophobicContact CD1-CD1 3.91Å; L599-I632 HydrophobicContact CD1-CG1 4.25Å; L599-I632 HydrophobicContact CD1-CG2 4.43Å; L599-I632 HydrophobicContact CG-CD1 4.46Å; L599-I632 HydrophobicContact CG-CG1 4.46Å |
| 600 | N | 92.3 | Very high | 83.2 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 109 | 169.2 | -72.9 | -10.3 | 0 | 0 | 0 | 108.8 | N623 P626 | N600-N623 HydrophobicContact CB-CB 4.38Å; N600-N623 VanDerWaalsContact CB-O 3.3Å; N600-N623 WeakPolarHBondContact CB-O 3.14Å; N600-N623 PolarHBondContact ND2-O 3.2Å; N600-N623 PolarHBondContact O-N 3.29Å; N600-P626 HydrophobicContact CB-CB 3.81Å; N600-P626 HydrophobicContact CB-CG 3.81Å |
| 601 | L | 92.8 | Very high | 81.8 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 139.3 | -168 | -57.6 | -172.4 | 0 | 0 | 0 | 112 | L559 W580 L599 N623 F628 V630 | L559-L601 HydrophobicContact CB-CD1 3.62Å; L559-L601 HydrophobicContact CD2-CD1 4.17Å; W580-L601 CarbonylContact O-C 3.57Å; W580-L601 WeakPolarHBondContact O-CA 3.3Å; L599-L601 HydrophobicContact CB-CD2 4.16Å; L599-L601 PolarHBondContact O-N 2.88Å; L601-N623 WeakPolarHBondContact O-CB 3.34Å; L601-N623 PolarHBondContact O-ND2 3.2Å; L601-F628 HydrophobicContact CB-CB 4.4Å; L601-F628 WeakPolarHBondContact CB-O 3.18Å; L601-F628 HydrophobicContact CD1-CB 3.98Å; L601-F628 HydrophobicContact CG-CB 4.39Å; L601-F628 PolarHBondContact N-O 3.44Å; L601-V630 HydrophobicContact CD1-CG2 3.72Å; L601-V630 HydrophobicContact CD2-CB 4.31Å; L601-V630 HydrophobicContact CD2-CG2 4.19Å; L601-V630 HydrophobicContact CG-CG2 4.21Å |
| 602 | W | 89.7 | Confident | 80.7 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -81.5 | 143 | 165.5 | -67.9 | 97.5 | 0 | 0 | 0 | 109.8 | G579 W580 T619 L621 N623 P924 D925 | G579-W602 CarbonylContact C-O 3.56Å; G579-W602 WeakPolarHBondContact CA-O 3.29Å; W580-W602 HydrophobicContact CD2-CB 4.03Å; W580-W602 VanDerWaalsContact CE2-CB 3.44Å; W580-W602 HydrophobicContact CH2-CB 4.09Å; W580-W602 AromaticContact CH2-CD1 3.66Å; W580-W602 AromaticContact CH2-CG 3.91Å; W580-W602 HydrophobicContact CH2-CG 3.91Å; W580-W602 HydrophobicContact CZ2-CB 3.46Å; W580-W602 VanDerWaalsContact CZ2-CB 3.46Å; W580-W602 AromaticContact CZ2-CD1 3.95Å; W580-W602 AromaticContact CZ2-CG 3.74Å; W580-W602 HydrophobicContact CZ2-CG 3.74Å; W580-W602 AromaticContact CZ3-CD1 3.91Å; W580-W602 HydrophobicContact CZ3-CG 4.48Å; W580-W602 PolarHBondContact N-O 3.48Å; W580-W602 PolarHBondContact O-N 3.42Å; W602-T619 HydrophobicContact CZ2-CG2 3.89Å; W602-T619 VanDerWaalsContact NE1-CG2 3.27Å; W602-L621 PolarHBondContact NE1-O 3.5Å; W602-N623 HydrophobicContact CD2-CB 3.69Å; W602-N623 HydrophobicContact CE3-CB 3.94Å; W602-N623 HydrophobicContact CG-CB 4.09Å; W602-N623 HydrophobicContact CH2-CB 4.38Å; W602-N623 HydrophobicContact CZ2-CB 4.17Å; W602-N623 HydrophobicContact CZ3-CB 4.24Å; W602-P924 HydrophobicContact CE3-CB 4.07Å; W602-P924 HydrophobicContact CH2-CB 4.33Å; W602-P924 WeakPolarHBondContact CH2-O 3.49Å; W602-P924 VanDerWaalsContact CZ3-C 3.46Å; W602-P924 HydrophobicContact CZ3-CB 3.44Å; W602-P924 VanDerWaalsContact CZ3-CB 3.44Å; W602-D925 HydrophobicContact CD2-CB 4.15Å; W602-D925 HydrophobicContact CE3-CB 4.29Å; W602-D925 HydrophobicContact CH2-CB 4.44Å; W602-D925 HydrophobicContact CZ2-CB 4.29Å; W602-D925 HydrophobicContact CZ3-CB 4.45Å |
| 603 | P | 88.5 | Confident | 80.2 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 41% | 0.409 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 165.3 | 168 | 30.1 | -35.3 | 0 | 0 | 0 | 110.4 | W580 S605 | W580-P603 PolarHBondContact NE1-O 3.44Å; P603-S605 PolarHBondContact O-N 3.42Å |
| 604 | P | 82.7 | Confident | 79.9 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 126.5 | 171.4 | -26.7 | 34 | 0 | 0 | 0 | 111.2 | L577 | L577-P604 HydrophobicContact CB-CG 4.26Å; L577-P604 HydrophobicContact CD2-CB 4.15Å; L577-P604 HydrophobicContact CD2-CG 4.04Å; L577-P604 HydrophobicContact CG-CG 4.03Å; L577-P604 WeakPolarHBondContact O-CG 3.35Å |
| 605 | S | 72.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 149 | -177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | P603 V607 Q608 | P603-S605 PolarHBondContact O-N 3.42Å; S605-V607 PolarHBondContact O-N 2.81Å; S605-V607 VanDerWaalsContact O-N 3.15Å; S605-V607 PolarHBondContact OG-N 3.05Å; S605-Q608 WeakPolarHBondContact O-CB 3.48Å; S605-Q608 PolarHBondContact O-N 3.17Å; S605-Q608 VanDerWaalsContact O-N 3.11Å |
| 606 | L | 64.1 | Low | 78.7 | Confident | 138 Ų | 138 | 51.4 Ų | 51.4 | 72% | 0.723 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.7 | 172.9 | -69.3 | 172.9 | 0 | 0 | 0 | 112.6 | ||
| 607 | V | 62.8 | Low | 77.7 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -12.2 | -178.8 | -155.1 | 0 | 0 | 0 | 0 | 112 | S605 | S605-V607 PolarHBondContact O-N 2.81Å; S605-V607 VanDerWaalsContact O-N 3.15Å; S605-V607 PolarHBondContact OG-N 3.05Å |
| 608 | Q | 63.5 | Low | 76.8 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -78.9 | 132.1 | -179.7 | -169.8 | 171.3 | 21.9 | 0 | 0 | 110 | S605 E612 S613 L614 | S605-Q608 WeakPolarHBondContact O-CB 3.48Å; S605-Q608 PolarHBondContact O-N 3.17Å; S605-Q608 VanDerWaalsContact O-N 3.11Å; Q608-E612 VanDerWaalsContact CD-O 3.31Å; Q608-E612 HydrophobicContact CG-CB 3.83Å; Q608-E612 WeakPolarHBondContact CG-O 3.45Å; Q608-E612 PolarHBondContact NE2-O 2.53Å; Q608-S613 PolarHBondContact NE2-O 3.35Å; Q608-L614 PolarHBondContact NE2-O 3.44Å |
| 609 | T | 58.6 | Low | 76.1 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 28% | 0.282 | 26% | 0.26 | S | S | . | . | trans | -75.1 | 156.8 | 177 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | D611 E612 | T609-D611 PolarHBondContact O-N 2.89Å; T609-D611 VanDerWaalsContact O-N 3.09Å; T609-E612 PolarHBondContact O-N 3.2Å; T609-E612 VanDerWaalsContact O-N 3.12Å; T609-E612 VanDerWaalsContact OG1-CG 3.29Å; T609-E612 WeakPolarHBondContact OG1-CG 3.5Å; T609-E612 PolarHBondContact OG1-OE1 2.84Å | ||
| 610 | A | 51.6 | Low | 75.4 | Confident | 109 Ų | 109 | 44.1 Ų | 44.1 | 90% | 0.901 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 611 | D | 57.5 | Low | 74.9 | Confident | 132 Ų | 132 | 42.2 Ų | 42.2 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -11.1 | -177.8 | -59.2 | -31.1 | 0 | 0 | 0 | 112.8 | T609 | T609-D611 PolarHBondContact O-N 2.89Å; T609-D611 VanDerWaalsContact O-N 3.09Å |
| 612 | E | 69.1 | Low | 74.4 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | trans | -91.5 | 106.5 | -178.3 | -78.3 | 164.7 | -141.1 | 0 | 0 | 111 | Q608 T609 | Q608-E612 VanDerWaalsContact CD-O 3.31Å; Q608-E612 HydrophobicContact CG-CB 3.83Å; Q608-E612 WeakPolarHBondContact CG-O 3.45Å; Q608-E612 PolarHBondContact NE2-O 2.53Å; T609-E612 PolarHBondContact O-N 3.2Å; T609-E612 VanDerWaalsContact O-N 3.12Å; T609-E612 VanDerWaalsContact OG1-CG 3.29Å; T609-E612 WeakPolarHBondContact OG1-CG 3.5Å; T609-E612 PolarHBondContact OG1-OE1 2.84Å | ||
| 613 | S | 81.7 | Confident | 74.1 | Confident | 19 Ų | 19 | 44 Ų | 44 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | trans | -77.6 | -34.6 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | R510 A558 L577 Q608 | R510-S613 WeakPolarHBondContact CD-OG 3.37Å; R510-S613 PolarHBondContact NH1-OG 3.19Å; A558-S613 WeakPolarHBondContact CB-O 3.35Å; L577-S613 VanDerWaalsContact CD1-O 3.31Å; L577-S613 WeakPolarHBondContact CD1-O 3.45Å; Q608-S613 PolarHBondContact NE2-O 3.35Å | ||
| 614 | L | 87.1 | Confident | 73.6 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | trans | -101 | 147.8 | -178.6 | -68.3 | 168.6 | 0 | 0 | 0 | 109.5 | R510 F514 C523 C556 A558 Q608 P616 | R510-L614 HydrophobicContact CG-CD1 4.19Å; R510-L614 HydrophobicContact CG-CG 4.43Å; F514-L614 HydrophobicContact CE2-CD1 4.04Å; F514-L614 HydrophobicContact CZ-CB 4.45Å; F514-L614 HydrophobicContact CZ-CD1 4.14Å; C523-L614 HydrophobicContact CB-CD1 4.38Å; C556-L614 HydrophobicContact CB-CD2 4.03Å; C556-L614 WeakPolarHBondContact O-CD2 3.5Å; A558-L614 HydrophobicContact CB-CD2 3.73Å; A558-L614 HydrophobicContact CB-CG 4.41Å; Q608-L614 PolarHBondContact NE2-O 3.44Å; L614-P616 WeakPolarHBondContact O-CD 3.25Å | ||
| 615 | H | 82.1 | Confident | 73.4 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | trans | -125.3 | 73.8 | -176.9 | -165.8 | 41.3 | 0 | 0 | 0 | 112 | W580 N582 C617 G618 | W580-H615 HydrophobicContact CD2-CB 3.71Å; W580-H615 AromaticContact CE2-CD2 3.62Å; W580-H615 HydrophobicContact CE3-CB 3.94Å; W580-H615 HydrophobicContact CG-CB 3.95Å; W580-H615 AromaticContact CH2-CD2 3.72Å; W580-H615 AromaticContact CZ2-CD2 3.47Å; W580-H615 VanDerWaalsContact CZ2-CD2 3.47Å; W580-H615 WeakPolarHBondContact CZ2-CD2 3.32Å; N582-H615 PolarHBondContact ND2-O 2.96Å; H615-C617 VanDerWaalsContact C-N 3.26Å; H615-C617 PolarHBondContact O-N 3.29Å; H615-G618 WeakPolarHBondContact CD2-CA 3.34Å; H615-G618 WeakPolarHBondContact O-CA 3.45Å; H615-G618 PolarHBondContact O-N 3.44Å | ||
| 616 | P | 79.4 | Confident | 74.1 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.4 | -172.5 | 27.6 | -36.2 | 0 | 0 | 0 | 114.5 | F514 R554 L614 G618 | F514-P616 HydrophobicContact CB-CB 4.2Å; F514-P616 HydrophobicContact CD1-CB 3.61Å; F514-P616 HydrophobicContact CD1-CG 3.95Å; F514-P616 HydrophobicContact CD2-CB 4.09Å; F514-P616 HydrophobicContact CE1-CB 3.91Å; F514-P616 HydrophobicContact CE1-CG 3.81Å; F514-P616 HydrophobicContact CE2-CB 4.36Å; F514-P616 HydrophobicContact CG-CB 3.71Å; F514-P616 HydrophobicContact CZ-CB 4.28Å; F514-P616 HydrophobicContact CZ-CG 4.25Å; R554-P616 PolarHBondContact NH1-O 3.47Å; L614-P616 WeakPolarHBondContact O-CD 3.25Å; P616-G618 VanDerWaalsContact C-N 3.26Å; P616-G618 PolarHBondContact O-N 3.31Å |
| 617 | C | 72.6 | Confident | 75.2 | Confident | 61 Ų | 61 | 48.6 Ų | 48.6 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.7 | 172.4 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | H615 | H615-C617 VanDerWaalsContact C-N 3.26Å; H615-C617 PolarHBondContact O-N 3.29Å |
| 618 | G | 76.4 | Confident | 76.5 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -68.6 | 158.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N582 H615 P616 | N582-G618 PolarHBondContact ND2-O 3.41Å; H615-G618 WeakPolarHBondContact CD2-CA 3.34Å; H615-G618 WeakPolarHBondContact O-CA 3.45Å; H615-G618 PolarHBondContact O-N 3.44Å; P616-G618 VanDerWaalsContact C-N 3.26Å; P616-G618 PolarHBondContact O-N 3.31Å |
| 619 | T | 79.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | trans | -56.8 | 148.1 | 178.7 | -164.8 | 0 | 0 | 0 | 0 | 112.9 | W580 W602 L621 D925 | W580-T619 HydrophobicContact CH2-CG2 4.16Å; W580-T619 WeakPolarHBondContact CZ3-O 3.37Å; W602-T619 HydrophobicContact CZ2-CG2 3.89Å; W602-T619 VanDerWaalsContact NE1-CG2 3.27Å; T619-L621 VanDerWaalsContact C-N 3.32Å; T619-L621 HydrophobicContact CG2-CB 4.22Å; T619-L621 WeakPolarHBondContact CG2-O 3.21Å; T619-L621 PolarHBondContact OG1-N 2.77Å; T619-D925 WeakPolarHBondContact CB-O 3.08Å; T619-D925 HydrophobicContact CG2-CB 3.62Å | ||
| 620 | V | 80.2 | Confident | 79.7 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -88.9 | -3.9 | 170.9 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | N582 | N582-V620 HydrophobicContact CB-CG1 4Å; N582-V620 WeakPolarHBondContact O-CA 3.33Å |
| 621 | L | 81.7 | Confident | 81.9 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -75.5 | 135.3 | 175 | -65.1 | 167.7 | 0 | 0 | 0 | 110 | N138 V141 W602 T619 L890 L928 | N138-L621 WeakPolarHBondContact ND2-CD2 3.33Å; V141-L621 HydrophobicContact CG2-CD2 3.91Å; W602-L621 PolarHBondContact NE1-O 3.5Å; T619-L621 VanDerWaalsContact C-N 3.32Å; T619-L621 HydrophobicContact CG2-CB 4.22Å; T619-L621 WeakPolarHBondContact CG2-O 3.21Å; T619-L621 PolarHBondContact OG1-N 2.77Å; L621-L890 HydrophobicContact CD1-CD1 4.32Å; L621-L890 HydrophobicContact CD1-CD2 4.1Å; L621-L890 HydrophobicContact CD2-CD1 4.23Å; L621-L928 HydrophobicContact CD1-CB 4.2Å; L621-L928 HydrophobicContact CD1-CD2 3.71Å; L621-L928 HydrophobicContact CD1-CG 4.29Å; L621-L928 HydrophobicContact CD2-CD2 4.49Å |
| 622 | G | 82.3 | Confident | 83.8 | Confident | 44 Ų | 44 | 35.2 Ų | 35.2 | 45% | 0.454 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 143.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 623 | N | 84 | Confident | 85.1 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 125.8 | 173.1 | -179.1 | -3.1 | 0 | 0 | 0 | 109.7 | N600 L601 W602 N625 P626 | N600-N623 HydrophobicContact CB-CB 4.38Å; N600-N623 VanDerWaalsContact CB-O 3.3Å; N600-N623 WeakPolarHBondContact CB-O 3.14Å; N600-N623 PolarHBondContact ND2-O 3.2Å; N600-N623 PolarHBondContact O-N 3.29Å; L601-N623 WeakPolarHBondContact O-CB 3.34Å; L601-N623 PolarHBondContact O-ND2 3.2Å; W602-N623 HydrophobicContact CD2-CB 3.69Å; W602-N623 HydrophobicContact CE3-CB 3.94Å; W602-N623 HydrophobicContact CG-CB 4.09Å; W602-N623 HydrophobicContact CH2-CB 4.38Å; W602-N623 HydrophobicContact CZ2-CB 4.17Å; W602-N623 HydrophobicContact CZ3-CB 4.24Å; N623-N625 VanDerWaalsContact C-N 3.25Å; N623-N625 PolarHBondContact ND2-O 3.48Å; N623-N625 PolarHBondContact O-N 3.27Å; N623-N625 PolarHBondContact OD1-N 3.33Å; N623-N625 PolarHBondContact OD1-O 2.91Å; N623-P626 HydrophobicContact CB-CB 4.25Å; N623-P626 WeakPolarHBondContact O-CD 3.49Å |
| 624 | P | 77.1 | Confident | 85.8 | Confident | 115 Ų | 115 | 34.7 Ų | 34.7 | 75% | 0.747 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -71 | -19.6 | 178.5 | 28.2 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 625 | N | 79.2 | Confident | 86.2 | Confident | 137 Ų | 137 | 37.9 Ų | 37.9 | 73% | 0.733 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -132 | 70.3 | 176.1 | -169.2 | 14.6 | 0 | 0 | 0 | 110.9 | N623 | N623-N625 VanDerWaalsContact C-N 3.25Å; N623-N625 PolarHBondContact ND2-O 3.48Å; N623-N625 PolarHBondContact O-N 3.27Å; N623-N625 PolarHBondContact OD1-N 3.33Å; N623-N625 PolarHBondContact OD1-O 2.91Å |
| 626 | P | 86.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | trans | -79.7 | 138.9 | -174.4 | 31.8 | -33.9 | 0 | 0 | 0 | 112.9 | L457 N600 N623 | L457-P626 HydrophobicContact CD1-CB 4.04Å; L457-P626 HydrophobicContact CD1-CG 3.51Å; N600-P626 HydrophobicContact CB-CB 3.81Å; N600-P626 HydrophobicContact CB-CG 3.81Å; N623-P626 HydrophobicContact CB-CB 4.25Å; N623-P626 WeakPolarHBondContact O-CD 3.49Å | ||
| 627 | E | 86.8 | Confident | 87.2 | Confident | 97 Ų | 97 | 41.1 Ų | 41.1 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -79.5 | -32.2 | 165.9 | -66.3 | -171.5 | 169.2 | 0 | 0 | 112 | L457 V458 | L457-E627 PolarHBondContact N-O 2.97Å; V458-E627 HydrophobicContact CG2-CB 4.2Å; V458-E627 HydrophobicContact CG2-CG 4.06Å |
| 628 | F | 90.8 | Very high | 88 | Confident | 17 Ų | 17 | 40 Ų | 40 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.8 | -178.3 | -64.7 | -97 | 0 | 0 | 0 | 110.5 | Q455 F456 L559 Y578 L601 | Q455-F628 WeakPolarHBondContact O-CA 3.46Å; F456-F628 AromaticContact CD2-CD1 3.79Å; F456-F628 HydrophobicContact CD2-CD1 3.79Å; F456-F628 HydrophobicContact CD2-CD2 4.38Å; F456-F628 AromaticContact CD2-CE1 3.35Å; F456-F628 HydrophobicContact CD2-CE1 3.35Å; F456-F628 AromaticContact CD2-CE2 3.95Å; F456-F628 HydrophobicContact CD2-CE2 3.95Å; F456-F628 HydrophobicContact CD2-CG 4.29Å; F456-F628 AromaticContact CD2-CZ 3.42Å; F456-F628 HydrophobicContact CD2-CZ 3.42Å; F456-F628 VanDerWaalsContact CD2-CZ 3.42Å; F456-F628 HydrophobicContact CE2-CD1 4.47Å; F456-F628 HydrophobicContact CE2-CD2 4.37Å; F456-F628 AromaticContact CE2-CE1 3.82Å; F456-F628 HydrophobicContact CE2-CE1 3.82Å; F456-F628 AromaticContact CE2-CE2 3.65Å; F456-F628 HydrophobicContact CE2-CE2 3.65Å; F456-F628 AromaticContact CE2-CZ 3.34Å; F456-F628 HydrophobicContact CE2-CZ 3.34Å; F456-F628 HydrophobicContact CG-CE1 4.48Å; L559-F628 HydrophobicContact CD2-CB 4.17Å; L559-F628 HydrophobicContact CD2-CD1 3.53Å; L559-F628 HydrophobicContact CD2-CE1 4.11Å; L559-F628 HydrophobicContact CD2-CG 3.99Å; Y578-F628 HydrophobicContact CD1-CD2 4.33Å; Y578-F628 HydrophobicContact CD1-CE1 4.16Å; Y578-F628 AromaticContact CD1-CE2 3.37Å; Y578-F628 HydrophobicContact CD1-CE2 3.37Å; Y578-F628 AromaticContact CD1-CZ 3.25Å; Y578-F628 HydrophobicContact CD1-CZ 3.25Å; Y578-F628 HydrophobicContact CE1-CE2 4.02Å; Y578-F628 AromaticContact CE1-CZ 3.59Å; Y578-F628 HydrophobicContact CE1-CZ 3.59Å; Y578-F628 HydrophobicContact CG-CE1 4.49Å; Y578-F628 HydrophobicContact CG-CE2 4.17Å; Y578-F628 AromaticContact CG-CZ 3.96Å; Y578-F628 HydrophobicContact CG-CZ 3.96Å; L601-F628 HydrophobicContact CB-CB 4.4Å; L601-F628 WeakPolarHBondContact CB-O 3.18Å; L601-F628 HydrophobicContact CD1-CB 3.98Å; L601-F628 HydrophobicContact CG-CB 4.39Å; L601-F628 PolarHBondContact N-O 3.44Å |
| 629 | S | 93.5 | Very high | 88.3 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148.7 | 164.3 | 61.6 | 0 | 0 | 0 | 0 | 111 | A454 Q455 L599 | A454-S629 CarbonylContact C-O 3.46Å; A454-S629 WeakPolarHBondContact CA-O 3.49Å; Q455-S629 PolarHBondContact N-O 3.2Å; Q455-S629 PolarHBondContact O-N 3.1Å; L599-S629 CarbonylContact O-C 3.56Å; L599-S629 VanDerWaalsContact O-CA 3.24Å; L599-S629 WeakPolarHBondContact O-CA 3.28Å |
| 630 | V | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.2 | 171.7 | 172.7 | 0 | 0 | 0 | 0 | 108.3 | S453 A454 V509 V557 L559 L599 L601 I632 | S453-V630 WeakPolarHBondContact O-CA 3.43Å; A454-V630 HydrophobicContact CB-CG2 3.9Å; V509-V630 HydrophobicContact CG1-CG1 4.34Å; V557-V630 HydrophobicContact CG1-CG1 4.08Å; L559-V630 HydrophobicContact CB-CG2 4.4Å; L599-V630 WeakPolarHBondContact CB-O 3.45Å; L599-V630 PolarHBondContact N-O 3.32Å; L599-V630 PolarHBondContact O-N 3.3Å; L601-V630 HydrophobicContact CD1-CG2 3.72Å; L601-V630 HydrophobicContact CD2-CB 4.31Å; L601-V630 HydrophobicContact CD2-CG2 4.19Å; L601-V630 HydrophobicContact CG-CG2 4.21Å; V630-I632 HydrophobicContact CG1-CG2 4.03Å |
| 631 | Q | 97 | Very high | 89.1 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 24% | 0.243 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.1 | 173.4 | -163.4 | -173.3 | 24.5 | 0 | 0 | 109.5 | C452 S453 E596 I597 | C452-Q631 HydrophobicContact CB-CB 4.12Å; C452-Q631 HydrophobicContact CB-CG 4.29Å; C452-Q631 WeakPolarHBondContact CB-O 3.45Å; C452-Q631 PolarHBondContact N-O 2.88Å; S453-Q631 PolarHBondContact N-O 3.2Å; S453-Q631 PolarHBondContact O-N 2.88Å; E596-Q631 PolarHBondContact OE2-NE2 2.84Å; I597-Q631 WeakPolarHBondContact O-CA 3.12Å |
| 632 | I | 97.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 160.9 | 172.2 | 64.2 | 169.5 | 0 | 0 | 0 | 110.5 | V449 Q450 V557 V583 E596 I597 L599 V630 | V449-I632 HydrophobicContact CG1-CB 4.09Å; V449-I632 HydrophobicContact CG1-CD1 4.25Å; V449-I632 HydrophobicContact CG1-CG2 4.48Å; Q450-I632 CarbonylContact O-C 3.33Å; Q450-I632 WeakPolarHBondContact O-CA 3.33Å; V557-I632 HydrophobicContact CG2-CD1 4.47Å; V557-I632 HydrophobicContact CG2-CG2 4.43Å; V583-I632 HydrophobicContact CG1-CD1 4.27Å; E596-I632 CarbonylContact C-O 3.5Å; E596-I632 WeakPolarHBondContact CA-O 3.34Å; I597-I632 HydrophobicContact CB-CG1 4.04Å; I597-I632 PolarHBondContact N-O 3.14Å; I597-I632 PolarHBondContact O-N 3.06Å; L599-I632 HydrophobicContact CD1-CD1 3.91Å; L599-I632 HydrophobicContact CD1-CG1 4.25Å; L599-I632 HydrophobicContact CD1-CG2 4.43Å; L599-I632 HydrophobicContact CG-CD1 4.46Å; L599-I632 HydrophobicContact CG-CG1 4.46Å; V630-I632 HydrophobicContact CG1-CG2 4.03Å |
| 633 | K | 97.5 | Very high | 90.1 | Very high | 72 Ų | 72 | 55 Ų | 55 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 121 | 172.6 | -172.6 | 175.7 | -172.7 | 157.2 | 0 | 110.7 | V449 Q450 W539 G595 E596 | V449-K633 CarbonylContact C-O 3.39Å; V449-K633 WeakPolarHBondContact CA-O 3.43Å; Q450-K633 HydrophobicContact CB-CB 3.94Å; Q450-K633 PolarHBondContact N-O 2.64Å; Q450-K633 PolarHBondContact O-N 3.03Å; W539-K633 HydrophobicContact CH2-CG 4.41Å; G595-K633 CarbonylContact O-C 3.47Å; G595-K633 VanDerWaalsContact O-CA 3.26Å; G595-K633 WeakPolarHBondContact O-CA 3.32Å; E596-K633 HydrophobicContact CG-CB 4.05Å; E596-K633 HydrophobicContact CG-CD 3.88Å; E596-K633 HydrophobicContact CG-CG 3.89Å; E596-K633 IonicContact OE1-NZ 3.67Å |
| 634 | I | 96.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.6 | 176.1 | -55.3 | 176 | 0 | 0 | 0 | 108.5 | L447 I555 L585 M592 G595 I597 N636 | L447-I634 HydrophobicContact CD1-CG2 4.32Å; I555-I634 HydrophobicContact CD1-CD1 3.55Å; I555-I634 HydrophobicContact CD1-CG1 4.02Å; L585-I634 HydrophobicContact CD1-CD1 3.92Å; L585-I634 HydrophobicContact CD1-CG2 4.22Å; M592-I634 HydrophobicContact CE-CG2 3.92Å; G595-I634 PolarHBondContact N-O 2.91Å; G595-I634 PolarHBondContact O-N 3.14Å; I597-I634 HydrophobicContact CD1-CD1 3.5Å; I597-I634 HydrophobicContact CD1-CG1 4.05Å; I634-N636 PolarHBondContact O-N 3.06Å |
| 635 | H | 95.3 | Very high | 90.8 | Very high | 85 Ų | 85 | 49.9 Ų | 49.9 | 39% | 0.394 | 24% | 0.242 | S | C | . | . | trans | -66.7 | 127.4 | -178.7 | -179.6 | -150.4 | 0 | 0 | 0 | 111.7 | S448 W539 P637 | S448-H635 PolarHBondContact O-N 2.9Å; S448-H635 VanDerWaalsContact O-N 3.15Å; W539-H635 HydrophobicContact CH2-CB 3.9Å; W539-H635 HydrophobicContact CZ3-CB 3.76Å; H635-P637 WeakPolarHBondContact O-CD 3.21Å | ||
| 636 | N | 92.8 | Very high | 91.3 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | trans | -96.6 | 110.7 | 164.7 | -169.7 | -11.5 | 0 | 0 | 0 | 109.4 | T594 I634 T638 G640 I642 | T594-N636 HydrophobicContact CG2-CB 3.88Å; I634-N636 PolarHBondContact O-N 3.06Å; N636-T638 PolarHBondContact ND2-O 2.78Å; N636-T638 PolarHBondContact O-N 3.11Å; N636-T638 PolarHBondContact OD1-N 2.74Å; N636-T638 PolarHBondContact OD1-O 3.17Å; N636-T638 VanDerWaalsContact OD1-O 3.09Å; N636-T638 PolarHBondContact OD1-OG1 3.29Å; N636-G640 PolarHBondContact ND2-O 2.86Å; N636-I642 WeakPolarHBondContact OD1-CD1 3.42Å | ||
| 637 | P | 90.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | trans | -74.4 | -3 | 176.6 | 31.5 | -38 | 0 | 0 | 0 | 114 | L443 L546 H635 I642 | L443-P637 HydrophobicContact CD1-CG 4.05Å; L443-P637 HydrophobicContact CD2-CG 4.39Å; L546-P637 HydrophobicContact CD1-CG 3.69Å; H635-P637 WeakPolarHBondContact O-CD 3.21Å; P637-I642 HydrophobicContact CG-CD1 4.07Å | ||
| 638 | T | 88.7 | Confident | 91.5 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -128.1 | 169.2 | -176 | 70.7 | 0 | 0 | 0 | 0 | 112.5 | V438 L443 N636 G640 | V438-T638 HydrophobicContact CG1-CG2 4.33Å; V438-T638 HydrophobicContact CG2-CG2 4.44Å; L443-T638 HydrophobicContact CD2-CG2 3.33Å; N636-T638 PolarHBondContact ND2-O 2.78Å; N636-T638 PolarHBondContact O-N 3.11Å; N636-T638 PolarHBondContact OD1-N 2.74Å; N636-T638 PolarHBondContact OD1-O 3.17Å; N636-T638 VanDerWaalsContact OD1-O 3.09Å; N636-T638 PolarHBondContact OD1-OG1 3.29Å; T638-G640 PolarHBondContact OG1-N 3.43Å; T638-G640 PolarHBondContact OG1-O 3.4Å |
| 639 | Q | 82.4 | Confident | 91.4 | Very high | 201 Ų | 201 | 47 Ų | 47 | 94% | 0.939 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -85 | -14.7 | 170.1 | -66.2 | -173.8 | -13.2 | 0 | 0 | 113.1 | ||
| 640 | G | 86.5 | Confident | 91.3 | Very high | 10 Ų | 10 | 47 Ų | 47 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -98.8 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q436 N636 T638 | Q436-G640 WeakPolarHBondContact O-CA 3.41Å; N636-G640 PolarHBondContact ND2-O 2.86Å; T638-G640 PolarHBondContact OG1-N 3.43Å; T638-G640 PolarHBondContact OG1-O 3.4Å |
| 641 | R | 90.9 | Very high | 91 | Very high | 107 Ų | 107 | 47.8 Ų | 47.8 | 40% | 0.404 | 24% | 0.238 | S | C | . | . | trans | -80.9 | 134.2 | 167.7 | -68.3 | -175.3 | 69.7 | -174.4 | 1.9 | 109.2 | N437 V438 D587 F591 | N437-R641 WeakPolarHBondContact CA-O 3.47Å; V438-R641 PolarHBondContact N-O 3.09Å; D587-R641 IonicContact OD2-NH2 2.94Å; D587-R641 PolarHBondContact OD2-NH2 3.24Å; F591-R641 HydrophobicContact CD1-CB 3.89Å; F591-R641 VanDerWaalsContact CD2-NH2 3.3Å; F591-R641 HydrophobicContact CE1-CB 4.1Å; F591-R641 VanDerWaalsContact CG-NH2 3.29Å | ||
| 642 | I | 93.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.4 | 179.2 | -61.5 | 163 | 0 | 0 | 0 | 107.9 | V438 L440 L443 F591 M592 N636 P637 | V438-I642 WeakPolarHBondContact O-CA 3.13Å; L440-I642 HydrophobicContact CB-CG2 4.09Å; L440-I642 HydrophobicContact CD1-CG2 3.62Å; L440-I642 HydrophobicContact CG-CG2 4.49Å; L443-I642 HydrophobicContact CD1-CB 4.41Å; L443-I642 HydrophobicContact CD1-CD1 3.55Å; L443-I642 HydrophobicContact CD1-CG1 3.86Å; L443-I642 HydrophobicContact CD1-CG2 3.67Å; F591-I642 CarbonylContact C-O 3.55Å; F591-I642 WeakPolarHBondContact CA-O 3.42Å; M592-I642 HydrophobicContact CB-CB 4.01Å; M592-I642 HydrophobicContact CB-CG2 4.1Å; M592-I642 PolarHBondContact N-O 3.46Å; M592-I642 HydrophobicContact SD-CD1 4.11Å; M592-I642 HydrophobicContact SD-CG2 4.28Å; N636-I642 WeakPolarHBondContact OD1-CD1 3.42Å; P637-I642 HydrophobicContact CG-CD1 4.07Å |
| 643 | R | 91.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 50.2 Ų | 50.2 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.1 | 177.1 | -163.4 | -178.5 | -178.1 | -172.6 | 4.7 | 110.6 | V438 S439 L440 D590 F591 | V438-R643 PolarHBondContact O-N 3.33Å; S439-R643 WeakPolarHBondContact CA-O 3.32Å; L440-R643 PolarHBondContact N-O 3.19Å; D590-R643 HydrophobicContact CB-CG 4.41Å; D590-R643 WeakPolarHBondContact O-CG 3.27Å; F591-R643 HydrophobicContact CD1-CB 3.82Å; F591-R643 HydrophobicContact CD1-CG 4.03Å; F591-R643 HydrophobicContact CE1-CB 3.78Å; F591-R643 HydrophobicContact CE1-CG 3.95Å; F591-R643 HydrophobicContact CG-CG 4.47Å; F591-R643 HydrophobicContact CZ-CG 4.3Å |
| 644 | R | 87.4 | Confident | 89.8 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 145.4 | 174.2 | -171.5 | -164.4 | 136.4 | 119.9 | -12.3 | 111.3 | L440 P550 F586 D590 Y807 | L440-R644 HydrophobicContact CD2-CG 4.29Å; P550-R644 VanDerWaalsContact C-NH1 3.27Å; F586-R644 HydrophobicContact CD1-CB 4.12Å; F586-R644 HydrophobicContact CE1-CB 3.99Å; F586-R644 HydrophobicContact CE1-CG 4.48Å; D590-R644 HydrophobicContact CB-CB 4.35Å; D590-R644 PolarHBondContact O-N 3.13Å; R644-Y807 PolarHBondContact NH2-OH 3.07Å |
| 645 | P | 88.5 | Confident | 89.5 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -61 | 143.7 | 166.5 | -21.1 | 30.8 | 0 | 0 | 0 | 113.3 | W441 C649 F650 | W441-P645 HydrophobicContact CB-CG 4.34Å; W441-P645 HydrophobicContact CD2-CB 4.06Å; W441-P645 HydrophobicContact CD2-CG 3.36Å; W441-P645 VanDerWaalsContact CE2-CG 3.45Å; W441-P645 HydrophobicContact CE3-CB 4.17Å; W441-P645 HydrophobicContact CE3-CG 3.82Å; W441-P645 HydrophobicContact CG-CG 3.57Å; W441-P645 HydrophobicContact CH2-CB 4.01Å; W441-P645 HydrophobicContact CH2-CG 4.37Å; W441-P645 HydrophobicContact CZ2-CB 3.9Å; W441-P645 HydrophobicContact CZ2-CG 3.98Å; W441-P645 HydrophobicContact CZ3-CB 4.15Å; W441-P645 HydrophobicContact CZ3-CG 4.3Å; P645-C649 HydrophobicContact CB-CB 3.84Å; P645-F650 HydrophobicContact CB-CD2 4.39Å; P645-F650 HydrophobicContact CB-CE2 4.1Å |
| 646 | T | 88.2 | Confident | 89.1 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 23% | 0.233 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 163.3 | 174 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | N648 C649 F650 | T646-N648 PolarHBondContact O-N 3.18Å; T646-C649 WeakPolarHBondContact O-CA 3.38Å; T646-C649 VanDerWaalsContact O-CB 3.25Å; T646-C649 WeakPolarHBondContact O-CB 3.16Å; T646-C649 PolarHBondContact O-N 3.46Å; T646-C649 PolarHBondContact OG1-N 3.08Å; T646-C649 PolarHBondContact OG1-SG 2.94Å; T646-C649 VanDerWaalsContact OG1-SG 3.32Å; T646-F650 WeakPolarHBondContact O-CD2 3.39Å; T646-F650 PolarHBondContact O-N 2.99Å |
| 647 | V | 87.9 | Confident | 88.3 | Confident | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.5 | -39.1 | 174.6 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | C649 F650 I651 Y807 Y856 | V647-C649 VanDerWaalsContact C-N 3.29Å; V647-C649 PolarHBondContact O-N 3.22Å; V647-F650 WeakPolarHBondContact O-CB 2.76Å; V647-F650 PolarHBondContact O-N 3.47Å; V647-F650 VanDerWaalsContact O-N 3.08Å; V647-I651 HydrophobicContact CG1-CD1 4Å; V647-I651 HydrophobicContact CG1-CG1 4.48Å; V647-I651 PolarHBondContact O-N 3.24Å; V647-Y807 HydrophobicContact CG1-CD1 4.29Å; V647-Y807 HydrophobicContact CG1-CD2 4.27Å; V647-Y807 HydrophobicContact CG1-CG 3.99Å; V647-Y807 HydrophobicContact CG2-CE2 4.44Å; V647-Y856 HydrophobicContact CG1-CD1 3.97Å; V647-Y856 HydrophobicContact CG1-CE1 3.83Å; V647-Y856 HydrophobicContact CG1-CG 4.42Å; V647-Y856 HydrophobicContact CG2-CD1 4.09Å; V647-Y856 HydrophobicContact CG2-CD2 4.22Å; V647-Y856 HydrophobicContact CG2-CG 3.82Å |
| 648 | N | 89.6 | Confident | 87 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 175.2 | -73.4 | -16 | 0 | 0 | 0 | 112.9 | T646 F650 I651 N652 | T646-N648 PolarHBondContact O-N 3.18Å; N648-F650 VanDerWaalsContact C-N 3.33Å; N648-I651 PolarHBondContact O-N 3.44Å; N648-N652 VanDerWaalsContact O-CB 3.27Å; N648-N652 WeakPolarHBondContact O-CB 3.24Å; N648-N652 PolarHBondContact O-N 3.24Å; N648-N652 PolarHBondContact O-ND2 3.29Å |
| 649 | C | 90 | Very high | 85.7 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 172.9 | -65 | 0 | 0 | 0 | 0 | 111.5 | W441 P645 T646 V647 A653 | W441-C649 HydrophobicContact CH2-CB 4.12Å; W441-C649 HydrophobicContact CZ3-CB 4.1Å; P645-C649 HydrophobicContact CB-CB 3.84Å; T646-C649 WeakPolarHBondContact O-CA 3.38Å; T646-C649 VanDerWaalsContact O-CB 3.25Å; T646-C649 WeakPolarHBondContact O-CB 3.16Å; T646-C649 PolarHBondContact O-N 3.46Å; T646-C649 PolarHBondContact OG1-N 3.08Å; T646-C649 PolarHBondContact OG1-SG 2.94Å; T646-C649 VanDerWaalsContact OG1-SG 3.32Å; V647-C649 VanDerWaalsContact C-N 3.29Å; V647-C649 PolarHBondContact O-N 3.22Å; C649-A653 WeakPolarHBondContact O-CB 3.19Å; C649-A653 PolarHBondContact O-N 2.98Å |
| 650 | F | 89.9 | Confident | 84.2 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -50.8 | 174.5 | -81.5 | -92.7 | 0 | 0 | 0 | 111.7 | W441 P645 T646 V647 N648 N652 A653 Y654 L803 A804 Y807 | W441-F650 HydrophobicContact CH2-CB 4.46Å; W441-F650 HydrophobicContact CH2-CD1 4.2Å; W441-F650 HydrophobicContact CH2-CD2 4.12Å; W441-F650 HydrophobicContact CH2-CE2 4.44Å; W441-F650 AromaticContact CH2-CG 3.98Å; W441-F650 HydrophobicContact CH2-CG 3.98Å; W441-F650 AromaticContact CZ2-CD1 3.57Å; W441-F650 HydrophobicContact CZ2-CD1 3.57Å; W441-F650 AromaticContact CZ2-CD2 3.71Å; W441-F650 HydrophobicContact CZ2-CD2 3.71Å; W441-F650 AromaticContact CZ2-CE1 3.5Å; W441-F650 HydrophobicContact CZ2-CE1 3.5Å; W441-F650 AromaticContact CZ2-CE2 3.63Å; W441-F650 HydrophobicContact CZ2-CE2 3.63Å; W441-F650 AromaticContact CZ2-CG 3.67Å; W441-F650 HydrophobicContact CZ2-CG 3.67Å; W441-F650 AromaticContact CZ2-CZ 3.53Å; W441-F650 HydrophobicContact CZ2-CZ 3.53Å; W441-F650 AromaticContact NE1-CZ 3.88Å; P645-F650 HydrophobicContact CB-CD2 4.39Å; P645-F650 HydrophobicContact CB-CE2 4.1Å; T646-F650 WeakPolarHBondContact O-CD2 3.39Å; T646-F650 PolarHBondContact O-N 2.99Å; V647-F650 WeakPolarHBondContact O-CB 2.76Å; V647-F650 PolarHBondContact O-N 3.47Å; V647-F650 VanDerWaalsContact O-N 3.08Å; N648-F650 VanDerWaalsContact C-N 3.33Å; F650-N652 PolarHBondContact O-N 3.36Å; F650-A653 PolarHBondContact O-N 3.48Å; F650-Y654 PolarHBondContact O-N 2.64Å; F650-L803 HydrophobicContact CD1-CB 3.94Å; F650-L803 HydrophobicContact CE1-CB 3.67Å; F650-L803 HydrophobicContact CE1-CD1 4.29Å; F650-A804 HydrophobicContact CB-CB 4.34Å; F650-A804 HydrophobicContact CD1-CB 4.02Å; F650-A804 WeakPolarHBondContact O-CB 3.48Å; F650-Y807 HydrophobicContact CB-CD2 3.65Å; F650-Y807 HydrophobicContact CB-CE2 4.35Å; F650-Y807 HydrophobicContact CD1-CD2 4.1Å; F650-Y807 HydrophobicContact CD1-CE2 4.24Å; F650-Y807 HydrophobicContact CD2-CD2 4.15Å; F650-Y807 AromaticContact CD2-CE2 3.98Å; F650-Y807 HydrophobicContact CD2-CE2 3.98Å; F650-Y807 HydrophobicContact CE2-CE2 4.31Å; F650-Y807 AromaticContact CG-CD2 3.73Å; F650-Y807 HydrophobicContact CG-CD2 3.73Å; F650-Y807 AromaticContact CG-CE2 3.96Å; F650-Y807 HydrophobicContact CG-CE2 3.96Å |
| 651 | I | 89.6 | Confident | 82 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 178.6 | -65.1 | 169.7 | 0 | 0 | 0 | 110.9 | V647 N648 A653 Y654 H655 H811 | V647-I651 HydrophobicContact CG1-CD1 4Å; V647-I651 HydrophobicContact CG1-CG1 4.48Å; V647-I651 PolarHBondContact O-N 3.24Å; N648-I651 PolarHBondContact O-N 3.44Å; I651-A653 VanDerWaalsContact C-N 3.35Å; I651-A653 PolarHBondContact O-N 3.01Å; I651-Y654 WeakPolarHBondContact O-CB 3.31Å; I651-Y654 PolarHBondContact O-N 2.69Å; I651-H655 PolarHBondContact O-CD2 2.87Å; I651-H655 VanDerWaalsContact O-CD2 3.22Å; I651-H655 PolarHBondContact O-N 3.01Å; I651-H655 VanDerWaalsContact O-N 3.1Å; I651-H811 HydrophobicContact CD1-CB 4.16Å |
| 652 | N | 90.9 | Very high | 79.3 | Confident | 100 Ų | 100 | 62 Ų | 62 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 178.4 | -72.6 | -22.2 | 0 | 0 | 0 | 112.2 | N648 F650 Y654 H655 T656 | N648-N652 VanDerWaalsContact O-CB 3.27Å; N648-N652 WeakPolarHBondContact O-CB 3.24Å; N648-N652 PolarHBondContact O-N 3.24Å; N648-N652 PolarHBondContact O-ND2 3.29Å; F650-N652 PolarHBondContact O-N 3.36Å; N652-Y654 VanDerWaalsContact C-N 3.32Å; N652-Y654 PolarHBondContact O-N 3.22Å; N652-H655 PolarHBondContact O-N 3.32Å; N652-T656 WeakPolarHBondContact O-CB 3.35Å; N652-T656 WeakPolarHBondContact O-CG2 3.08Å; N652-T656 PolarHBondContact O-N 3.47Å; N652-T656 PolarHBondContact O-OG1 3.44Å |
| 653 | A | 88 | Confident | 76.3 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W441 C649 F650 I651 T656 K657 K658 F659 | W441-A653 HydrophobicContact CH2-CB 4.08Å; W441-A653 HydrophobicContact CZ3-CB 4.08Å; C649-A653 WeakPolarHBondContact O-CB 3.19Å; C649-A653 PolarHBondContact O-N 2.98Å; F650-A653 PolarHBondContact O-N 3.48Å; I651-A653 VanDerWaalsContact C-N 3.35Å; I651-A653 PolarHBondContact O-N 3.01Å; A653-T656 WeakPolarHBondContact CA-OG1 3.31Å; A653-T656 PolarHBondContact O-OG1 3.19Å; A653-K657 PolarHBondContact O-N 2.96Å; A653-K658 HydrophobicContact CB-CB 4.31Å; A653-K658 PolarHBondContact O-N 3.08Å; A653-F659 HydrophobicContact CB-CD2 3.98Å; A653-F659 HydrophobicContact CB-CE2 3.24Å; A653-F659 HydrophobicContact CB-CZ 3.72Å |
| 654 | Y | 88.7 | Confident | 73.2 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 23% | 0.227 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.4 | -51.9 | 171.8 | -175.5 | -99.1 | 0 | 0 | 0 | 111.6 | F650 I651 N652 T656 K657 Y778 E805 T808 | F650-Y654 PolarHBondContact O-N 2.64Å; I651-Y654 WeakPolarHBondContact O-CB 3.31Å; I651-Y654 PolarHBondContact O-N 2.69Å; N652-Y654 VanDerWaalsContact C-N 3.32Å; N652-Y654 PolarHBondContact O-N 3.22Å; Y654-T656 VanDerWaalsContact C-N 3.33Å; Y654-T656 PolarHBondContact O-N 2.91Å; Y654-K657 PolarHBondContact O-N 3.25Å; Y654-Y778 PolarHBondContact OH-OH 3.16Å; Y654-E805 VanDerWaalsContact CD2-CA 3.49Å; Y654-E805 HydrophobicContact CD2-CB 3.8Å; Y654-E805 HydrophobicContact CD2-CG 4.4Å; Y654-E805 HydrophobicContact CE2-CB 3.48Å; Y654-E805 VanDerWaalsContact CE2-CB 3.48Å; Y654-E805 HydrophobicContact CE2-CG 3.63Å; Y654-T808 HydrophobicContact CD1-CG2 3.81Å; Y654-T808 HydrophobicContact CE1-CG2 4.11Å |
| 655 | H | 88.1 | Confident | 70.3 | Confident | 118 Ų | 118 | 75.6 Ų | 75.6 | 55% | 0.546 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | -179.6 | -73.4 | -58.3 | 0 | 0 | 0 | 113.9 | I651 N652 K657 | I651-H655 PolarHBondContact O-CD2 2.87Å; I651-H655 VanDerWaalsContact O-CD2 3.22Å; I651-H655 PolarHBondContact O-N 3.01Å; I651-H655 VanDerWaalsContact O-N 3.1Å; N652-H655 PolarHBondContact O-N 3.32Å; H655-K657 PolarHBondContact O-N 2.97Å |
| 656 | T | 87.1 | Confident | 67.2 | Low | 98 Ų | 98 | 80.4 Ų | 80.4 | 60% | 0.601 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.3 | 176.4 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | N652 A653 Y654 K658 | N652-T656 WeakPolarHBondContact O-CB 3.35Å; N652-T656 WeakPolarHBondContact O-CG2 3.08Å; N652-T656 PolarHBondContact O-N 3.47Å; N652-T656 PolarHBondContact O-OG1 3.44Å; A653-T656 WeakPolarHBondContact CA-OG1 3.31Å; A653-T656 PolarHBondContact O-OG1 3.19Å; Y654-T656 VanDerWaalsContact C-N 3.33Å; Y654-T656 PolarHBondContact O-N 2.91Å; T656-K658 PolarHBondContact O-N 3.18Å; T656-K658 VanDerWaalsContact O-N 3.07Å |
| 657 | K | 75.9 | Confident | 64.2 | Low | 139 Ų | 139 | 88.2 Ų | 88.2 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 30.2 | -175 | -63.6 | -172.3 | 178 | -174.9 | 0 | 112.7 | A653 Y654 H655 F659 H660 | A653-K657 PolarHBondContact O-N 2.96Å; Y654-K657 PolarHBondContact O-N 3.25Å; H655-K657 PolarHBondContact O-N 2.97Å; K657-F659 PolarHBondContact O-N 3.46Å; K657-F659 VanDerWaalsContact O-N 3.12Å; K657-H660 HydrophobicContact CB-CB 4.29Å; K657-H660 PolarHBondContact O-N 3.14Å; K657-H660 VanDerWaalsContact O-N 3.08Å |
| 658 | K | 64.5 | Low | 61.3 | Low | 140 Ų | 140 | 92.3 Ų | 92.3 | 61% | 0.609 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30.5 | -173.2 | -160.3 | 175.6 | -178.4 | -177.1 | 0 | 111.4 | A653 T656 S661 | A653-K658 HydrophobicContact CB-CB 4.31Å; A653-K658 PolarHBondContact O-N 3.08Å; T656-K658 PolarHBondContact O-N 3.18Å; T656-K658 VanDerWaalsContact O-N 3.07Å; K658-S661 PolarHBondContact O-OG 2.8Å |
| 659 | F | 60.3 | Low | 58.3 | Low | 29 Ų | 29 | 95 Ų | 95 | 13% | 0.127 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -30.5 | 177.9 | -57.2 | -61.9 | 0 | 0 | 0 | 114.1 | W441 A653 K657 S661 S662 E801 A804 | W441-F659 HydrophobicContact CD2-CZ 4.27Å; W441-F659 HydrophobicContact CE3-CZ 4.17Å; W441-F659 HydrophobicContact CH2-CE2 4.28Å; W441-F659 AromaticContact CH2-CZ 3.73Å; W441-F659 HydrophobicContact CH2-CZ 3.73Å; W441-F659 HydrophobicContact CZ2-CE2 4.5Å; W441-F659 AromaticContact CZ2-CZ 3.82Å; W441-F659 HydrophobicContact CZ2-CZ 3.82Å; W441-F659 AromaticContact CZ3-CZ 3.91Å; W441-F659 HydrophobicContact CZ3-CZ 3.91Å; A653-F659 HydrophobicContact CB-CD2 3.98Å; A653-F659 HydrophobicContact CB-CE2 3.24Å; A653-F659 HydrophobicContact CB-CZ 3.72Å; K657-F659 PolarHBondContact O-N 3.46Å; K657-F659 VanDerWaalsContact O-N 3.12Å; F659-S661 PolarHBondContact O-N 2.84Å; F659-S662 PolarHBondContact O-OG 3.27Å; F659-S662 VanDerWaalsContact O-OG 3.08Å; F659-E801 HydrophobicContact CB-CG 3.67Å; F659-E801 HydrophobicContact CG-CG 4.14Å; F659-A804 HydrophobicContact CD2-CB 4.23Å; F659-A804 HydrophobicContact CE2-CB 3.92Å |
| 660 | H | 50.3 | Low | 55.2 | Low | 92 Ų | 92 | 97.3 Ų | 97.3 | 43% | 0.426 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 0.6 | -177.8 | -60.2 | -24.7 | 0 | 0 | 0 | 114.7 | K657 E801 | K657-H660 HydrophobicContact CB-CB 4.29Å; K657-H660 PolarHBondContact O-N 3.14Å; K657-H660 VanDerWaalsContact O-N 3.08Å; H660-E801 IonicContact CE1-OE2 2.79Å; H660-E801 IonicContact ND1-OE2 3.84Å |
| 661 | S | 40.1 | Very low | 52.4 | Low | 88 Ų | 88 | 105.2 Ų | 105.2 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 0.7 | -178.9 | 61.9 | 0 | 0 | 0 | 0 | 114.7 | K658 F659 | K658-S661 PolarHBondContact O-OG 2.8Å; F659-S661 PolarHBondContact O-N 2.84Å |
| 662 | S | 35.1 | Very low | 49.5 | Very low | 100 Ų | 100 | 109.3 Ų | 109.3 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -94.1 | -3 | -175.2 | -13.3 | 0 | 0 | 0 | 0 | 115.4 | F659 | F659-S662 PolarHBondContact O-OG 3.27Å; F659-S662 VanDerWaalsContact O-OG 3.08Å |
| 663 | S | 30.7 | Very low | 46.3 | Very low | 112 Ų | 112 | 112.6 Ų | 112.6 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -112.8 | 14.2 | -175.3 | 53.8 | 0 | 0 | 0 | 0 | 115 | ||
| 664 | S | 25.3 | Very low | 43.5 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | trans | -135.4 | 59.1 | 176.8 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | S666 | S664-S666 PolarHBondContact O-N 3.08Š| ||
| 665 | Q | 27.5 | Very low | 40.6 | Very low | 174 Ų | 174 | 124.8 Ų | 124.8 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | trans | -87.2 | 96.4 | 155.8 | -95.7 | 176.2 | -14.1 | 0 | 0 | 108.9 | Y667 | Q665-Y667 PolarHBondContact O-N 3.4Š| ||
| 666 | S | 24.4 | Very low | 37.7 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -55.9 | 101.4 | 158.8 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | S664 S668 | S664-S666 PolarHBondContact O-N 3.08Å; S666-S668 PolarHBondContact O-N 2.91Å | ||
| 667 | Y | 24.3 | Very low | 34.8 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | trans | -67.8 | 109.7 | 161.9 | -98.8 | -96.6 | 0 | 0 | 0 | 107.8 | Q665 | Q665-Y667 PolarHBondContact O-N 3.4Š| ||
| 668 | S | 27.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -95.7 | 113.8 | 157.9 | 43 | 0 | 0 | 0 | 0 | 106.8 | S666 | S666-S668 PolarHBondContact O-N 2.91Š| ||
| 669 | D | 26.4 | Very low | 30.8 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -65.3 | 127.6 | 177.3 | -82.3 | -39.5 | 0 | 0 | 0 | 111.2 | ||||
| 670 | S | 25.4 | Very low | 29.1 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -154.9 | 129.8 | 142 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 671 | H | 31.3 | Very low | 28 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | 95.9 | 89.5 | 160.7 | -63.7 | -67.8 | 0 | 0 | 0 | 121.4 | ||||
| 672 | S | 29 | Very low | 27.3 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | 64.8 | 110.7 | 119.2 | 69.2 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 673 | L | 22.6 | Very low | 26.9 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -5.6 | 127.5 | 146.8 | -78.7 | 110.7 | 0 | 0 | 0 | 118.4 | ||||
| 674 | K | 30.1 | Very low | 26.7 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | -159.3 | 135.9 | 121.8 | -107.5 | 170.1 | -172.6 | 178.7 | 0 | 112.1 | |||||
| 675 | S | 26.7 | Very low | 26.7 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -65.8 | 150 | -175.5 | 59.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 676 | R | 28.1 | Very low | 26.5 | Very low | 253 Ų | 253 | 151.2 Ų | 151.2 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | -168.3 | 137.1 | 120.3 | -109.6 | 172.1 | 175.1 | 172.4 | -2.6 | 112.8 | |||||
| 677 | N | 24.9 | Very low | 26.5 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -64.6 | 148.7 | 173.4 | -91.5 | -15.1 | 0 | 0 | 0 | 113.2 | ||||
| 678 | D | 30.5 | Very low | 26.5 | Very low | 171 Ų | 171 | 153.2 Ų | 153.2 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | 158.7 | 134.6 | 137.8 | -78.2 | -18.1 | 0 | 0 | 0 | 105.4 | ||||
| 679 | G | 25.9 | Very low | 26.4 | Very low | 65 Ų | 65 | 152 Ų | 152 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | cis | 154.2 | 123.6 | 12.3 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 680 | Y | 24.4 | Very low | 26.2 | Very low | 242 Ų | 242 | 154.8 Ų | 154.8 | 95% | 0.949 | 81% | 0.809 | S | S | * | * | trans | 60.3 | 100.1 | 165.4 | -73.5 | -93.9 | 0 | 0 | 0 | 120.3 | ||||
| 681 | A | 28.3 | Very low | 26.2 | Very low | 100 Ų | 100 | 155.2 Ų | 155.2 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -166.3 | 110.2 | 131.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S683 | A681-S683 PolarHBondContact O-N 3.23Š| ||
| 682 | K | 25.3 | Very low | 25.8 | Very low | 221 Ų | 221 | 151.4 Ų | 151.4 | 96% | 0.961 | 81% | 0.809 | S | S | * | * | trans | -70.6 | 107.7 | 167.6 | -82.3 | 177.9 | 172.6 | -179.7 | 0 | 108 | ||||
| 683 | S | 27.4 | Very low | 25.6 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -109.4 | 124.4 | 152.5 | 81.6 | 0 | 0 | 0 | 0 | 108.2 | A681 K685 | A681-S683 PolarHBondContact O-N 3.23Å; S683-K685 PolarHBondContact O-N 3.45Å; S683-K685 VanDerWaalsContact O-N 3.11Å | ||
| 684 | T | 24.9 | Very low | 25.8 | Very low | 138 Ų | 138 | 151 Ų | 151 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 96.2 | 173.2 | 36.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 685 | K | 25.2 | Very low | 25.6 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -74.8 | 114.5 | 152 | -91.2 | -175.4 | 171.8 | -174 | 0 | 107.1 | S683 D687 | S683-K685 PolarHBondContact O-N 3.45Å; S683-K685 VanDerWaalsContact O-N 3.11Å; K685-D687 VanDerWaalsContact C-N 3.32Å; K685-D687 PolarHBondContact O-N 3.04Å; K685-D687 VanDerWaalsContact O-N 3.16Å | ||
| 686 | V | 24.7 | Very low | 25.5 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | trans | -77.5 | 91.7 | 164.7 | 178.2 | 0 | 0 | 0 | 0 | 105.9 | Y688 | V686-Y688 HydrophobicContact CG1-CD2 4.11Å; V686-Y688 HydrophobicContact CG1-CE2 3.85Å | ||
| 687 | D | 24.3 | Very low | 25.5 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 66% | 0.658 | 80% | 0.797 | S | S | * | * | trans | -79.2 | 111.4 | 165.6 | -83.5 | -32.9 | 0 | 0 | 0 | 108.1 | K685 S689 | K685-D687 VanDerWaalsContact C-N 3.32Å; K685-D687 PolarHBondContact O-N 3.04Å; K685-D687 VanDerWaalsContact O-N 3.16Å; D687-S689 PolarHBondContact O-N 3.41Å | ||
| 688 | Y | 24.1 | Very low | 25.6 | Very low | 232 Ų | 232 | 144.9 Ų | 144.9 | 91% | 0.91 | 80% | 0.797 | S | S | * | * | trans | -75.9 | 80.1 | 158.3 | -78.4 | -83.5 | 0 | 0 | 0 | 107.9 | V686 | V686-Y688 HydrophobicContact CG1-CD2 4.11Å; V686-Y688 HydrophobicContact CG1-CE2 3.85Å | ||
| 689 | S | 24.3 | Very low | 25.4 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | trans | -119.1 | 110.9 | 163.8 | 60.9 | 0 | 0 | 0 | 0 | 108.3 | D687 C691 | D687-S689 PolarHBondContact O-N 3.41Å; S689-C691 VanDerWaalsContact C-N 3.31Å; S689-C691 PolarHBondContact O-N 2.88Å | ||
| 690 | F | 23.3 | Very low | 25.5 | Very low | 213 Ų | 213 | 145.4 Ų | 145.4 | 93% | 0.934 | 79% | 0.788 | S | S | * | * | trans | -72.8 | 92.2 | 168.5 | -141.1 | -92.4 | 0 | 0 | 0 | 106.4 | A692 | F690-A692 PolarHBondContact O-N 3.41Å; F690-A692 VanDerWaalsContact O-N 3.14Å | ||
| 691 | C | 25.1 | Very low | 25.8 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 103.8 | 169 | -102.3 | 0 | 0 | 0 | 0 | 108.8 | S689 | S689-C691 VanDerWaalsContact C-N 3.31Å; S689-C691 PolarHBondContact O-N 2.88Å | ||
| 692 | A | 22.7 | Very low | 25.7 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -83.4 | 111.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | F690 | F690-A692 PolarHBondContact O-N 3.41Å; F690-A692 VanDerWaalsContact O-N 3.14Å | ||
| 693 | S | 25.5 | Very low | 25.7 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | -169.8 | 127.3 | 148.1 | 20.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 694 | E | 26.1 | Very low | 25.7 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 73.5 | 87.6 | 137.3 | -62.9 | 170.3 | -169.9 | 0 | 0 | 117.4 | ||||
| 695 | I | 26.4 | Very low | 25.7 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -109.4 | 90.9 | 136.9 | -60.3 | 177 | 0 | 0 | 0 | 106 | ||||
| 696 | E | 24.4 | Very low | 25.8 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -103 | 121.2 | 153.5 | -86.6 | -172.6 | 167 | 0 | 0 | 107.5 | ||||
| 697 | G | 28.5 | Very low | 25.8 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | -167 | 53.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 698 | D | 25.6 | Very low | 26.1 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 14.9 | 136.5 | 146.6 | -111.8 | -5.4 | 0 | 0 | 0 | 122.1 | ||||
| 699 | V | 26.9 | Very low | 26.2 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | 104.5 | 107.9 | 139.4 | -170.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 700 | D | 28.3 | Very low | 26.4 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 105.6 | 123.3 | 134.5 | -80.9 | -17.4 | 0 | 0 | 0 | 124.4 | ||||
| 701 | T | 30.8 | Very low | 26.4 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | 93.9 | 95.9 | 140.8 | 46.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 702 | C | 26.2 | Very low | 26.5 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 72% | 0.716 | 78% | 0.782 | S | S | * | * | 82.8 | 107.9 | 115.1 | -70.4 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 703 | L | 24.8 | Very low | 26.7 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | 81.2 | 129.8 | 118.3 | -65.2 | 171.5 | 0 | 0 | 0 | 123.1 | |||||
| 704 | G | 27.7 | Very low | 26.8 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 133.8 | 80.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 705 | I | 24.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 46 | 112.4 | 97.3 | -39.7 | 178.2 | 0 | 0 | 0 | 111.7 | |||||
| 706 | E | 28.6 | Very low | 26.7 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | -165.4 | 150.6 | 78.3 | -87 | -177.9 | 170.8 | 0 | 0 | 114.2 | |||||
| 707 | S | 24.9 | Very low | 26.9 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -67.3 | 147.1 | 171.5 | 47.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 708 | N | 30.1 | Very low | 26.8 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -162.3 | 136.2 | 131.1 | -100.2 | -28.2 | 0 | 0 | 0 | 114 | ||||
| 709 | N | 26 | Very low | 26.9 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -67.3 | 140.3 | 175.8 | -69.4 | -38 | 0 | 0 | 0 | 112.2 | ||||
| 710 | N | 28.8 | Very low | 27 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | 173.6 | 126.9 | 115.5 | -88.2 | -25 | 0 | 0 | 0 | 113 | |||||
| 711 | L | 23.5 | Very low | 27 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 16.6 | 117.2 | 154.7 | -74.6 | 109.4 | 0 | 0 | 0 | 119.3 | ||||
| 712 | T | 27 | Very low | 26.9 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | -161.7 | 136.3 | 127.6 | 3.2 | 0 | 0 | 0 | 0 | 111 | H714 | T712-H714 PolarHBondContact O-N 3.32Š| |||
| 713 | I | 25.5 | Very low | 27 | Very low | 156 Ų | 156 | 143 Ų | 143 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -64.1 | 119.2 | -178.2 | -65.2 | 161.8 | 0 | 0 | 0 | 109.3 | ||||
| 714 | H | 28.8 | Very low | 27.1 | Very low | 184 Ų | 184 | 141 Ų | 141 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -143.7 | 116.4 | 157.2 | -96.6 | -73.7 | 0 | 0 | 0 | 110.8 | T712 | T712-H714 PolarHBondContact O-N 3.32Š| ||
| 715 | N | 25.1 | Very low | 27 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -54.6 | 127.5 | 163.7 | -74.7 | -31.2 | 0 | 0 | 0 | 110.2 | ||||
| 716 | N | 25.3 | Very low | 27.2 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 179.5 | 92.2 | 139.5 | -92.8 | -11.8 | 0 | 0 | 0 | 108.6 | ||||
| 717 | A | 28.8 | Very low | 27.1 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -102.4 | 106 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | V719 | A717-V719 PolarHBondContact O-N 2.82Š| ||
| 718 | Y | 25 | Very low | 27.2 | Very low | 229 Ų | 229 | 144.7 Ų | 144.7 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -49.5 | 113.1 | 157.4 | -93.2 | -103.8 | 0 | 0 | 0 | 108.4 | ||||
| 719 | V | 28.8 | Very low | 27 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -97.3 | 107.9 | 162.9 | 178.7 | 0 | 0 | 0 | 0 | 105.9 | A717 | A717-V719 PolarHBondContact O-N 2.82Š| ||
| 720 | G | 28.6 | Very low | 27 | Very low | 57 Ų | 57 | 147.4 Ų | 147.4 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | trans | -61.7 | 156.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 721 | D | 27.8 | Very low | 26.9 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -53.2 | 131.8 | -175.1 | -60.3 | -59.2 | 0 | 0 | 0 | 114.1 | ||||
| 722 | I | 28.8 | Very low | 27.3 | Very low | 150 Ų | 150 | 148 Ų | 148 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -129.2 | 116.2 | 158 | -57.8 | 177.1 | 0 | 0 | 0 | 107 | L724 | I722-L724 PolarHBondContact O-N 2.87Š| ||
| 723 | P | 27.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 150 Ų | 150 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -72 | 121.5 | 169.5 | -9.6 | 25.4 | 0 | 0 | 0 | 109.5 | E725 | P723-E725 VanDerWaalsContact C-N 3.35Å; P723-E725 PolarHBondContact O-N 3.14Å | ||
| 724 | L | 27.7 | Very low | 27.7 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -83.4 | 81.1 | 168.6 | -93.2 | 158.8 | 0 | 0 | 0 | 109.4 | I722 T742 | I722-L724 PolarHBondContact O-N 2.87Å; L724-T742 HydrophobicContact CD1-CG2 4.45Å | ||
| 725 | E | 26.3 | Very low | 28 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -105.2 | 142.4 | 150.1 | -75.9 | -170 | 161 | 0 | 0 | 108.5 | P723 | P723-E725 VanDerWaalsContact C-N 3.35Å; P723-E725 PolarHBondContact O-N 3.14Å | ||
| 726 | F | 27.5 | Very low | 29 | Very low | 185 Ų | 185 | 146 Ų | 146 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 73 | 86.7 | -178.2 | -78.5 | -93.4 | 0 | 0 | 0 | 118.2 | ||||
| 727 | V | 27.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -133 | 85.7 | 136.9 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 728 | S | 26.1 | Very low | 31.2 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -143.6 | 122.3 | 141.2 | 62 | 0 | 0 | 0 | 0 | 108.9 | ||
| 729 | N | 25.4 | Very low | 32.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 69.9 | 87.2 | 169.4 | -62.7 | -17.4 | 0 | 0 | 0 | 118.8 | ||
| 730 | K | 27.7 | Very low | 33.8 | Very low | 210 Ų | 210 | 133 Ų | 133 | 91% | 0.913 | 73% | 0.726 | S | S | * | * | -159.6 | 132.5 | 123.2 | -105.3 | 170.1 | -172.1 | -179.5 | 0 | 110.3 | F732 | K730-F732 PolarHBondContact O-N 2.83Š| |||
| 731 | S | 26.5 | Very low | 35.4 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -70.9 | 114.9 | -178.6 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 732 | F | 30.3 | Very low | 37.3 | Very low | 204 Ų | 204 | 129.3 Ų | 129.3 | 90% | 0.895 | 70% | 0.698 | S | S | * | * | trans | -147.8 | 135.5 | 151 | -100.1 | -80.5 | 0 | 0 | 0 | 110.2 | K730 N734 | K730-F732 PolarHBondContact O-N 2.83Å; F732-N734 PolarHBondContact O-N 2.88Å | ||
| 733 | Q | 29.3 | Very low | 39.5 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -70.8 | 110.8 | -175.5 | -70.6 | 172.7 | -28.4 | 0 | 0 | 111 | ||
| 734 | N | 31.8 | Very low | 41.8 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -171.2 | 78.4 | 149.4 | -94.2 | -16.4 | 0 | 0 | 0 | 108.9 | F732 T738 | F732-N734 PolarHBondContact O-N 2.88Å; N734-T738 PolarHBondContact O-OG1 2.91Å | ||
| 735 | N | 36.3 | Very low | 44.3 | Very low | 128 Ų | 128 | 124 Ų | 124 | 68% | 0.684 | 67% | 0.668 | S | S | * | * | trans | -112 | 16.9 | -159.7 | -99 | 4.8 | 0 | 0 | 0 | 117 | S739 | N735-S739 PolarHBondContact O-OG 3Š| ||
| 736 | T | 45.8 | Very low | 47.1 | Very low | 122 Ų | 122 | 120 Ų | 120 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -109.2 | -27.1 | -174.8 | -30.7 | 0 | 0 | 0 | 0 | 114.8 | S739 | T736-S739 PolarHBondContact O-OG 3.3Š|
| 737 | I | 49.2 | Very low | 50 | Low | 137 Ų | 137 | 118 Ų | 118 | 70% | 0.703 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -94 | -33.1 | -179.7 | -59 | 175.4 | 0 | 0 | 0 | 111.3 | S740 V741 | I737-S740 PolarHBondContact O-OG 2.91Å; I737-V741 WeakPolarHBondContact O-CG2 3.25Å; I737-V741 PolarHBondContact O-N 3.26Å |
| 738 | T | 51.3 | Low | 53 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.5 | -35.2 | 178.7 | 41.8 | 0 | 0 | 0 | 0 | 112.4 | N734 T742 | N734-T738 PolarHBondContact O-OG1 2.91Å; T738-T742 WeakPolarHBondContact O-CB 3.39Å; T738-T742 WeakPolarHBondContact O-CG2 3.44Å; T738-T742 PolarHBondContact O-N 3.21Å; T738-T742 PolarHBondContact O-OG1 3.47Å |
| 739 | S | 53.2 | Low | 56.1 | Low | 54 Ų | 54 | 112.6 Ų | 112.6 | 38% | 0.378 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71 | -31 | 178 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | N735 T736 T742 N743 | N735-S739 PolarHBondContact O-OG 3Å; T736-S739 PolarHBondContact O-OG 3.3Å; S739-T742 WeakPolarHBondContact CA-OG1 3.24Å; S739-T742 PolarHBondContact O-OG1 3.46Å; S739-N743 WeakPolarHBondContact O-CB 3.42Å; S739-N743 PolarHBondContact O-N 3.48Å; S739-N743 PolarHBondContact O-ND2 3.33Å |
| 740 | S | 55.1 | Low | 59.3 | Low | 67 Ų | 67 | 108.2 Ų | 108.2 | 47% | 0.469 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -76.6 | -39.3 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | I737 L744 | I737-S740 PolarHBondContact O-OG 2.91Å; S740-L744 PolarHBondContact O-N 3.5Å; S740-L744 VanDerWaalsContact O-N 3.15Å |
| 741 | V | 61.6 | Low | 62.5 | Low | 90 Ų | 90 | 101.9 Ų | 101.9 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -49.8 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | I737 N743 L744 T745 | I737-V741 WeakPolarHBondContact O-CG2 3.25Å; I737-V741 PolarHBondContact O-N 3.26Å; V741-N743 VanDerWaalsContact C-N 3.31Å; V741-N743 PolarHBondContact O-N 3.02Å; V741-L744 WeakPolarHBondContact O-CB 3.47Å; V741-L744 PolarHBondContact O-N 3.34Å; V741-T745 PolarHBondContact O-N 3Å; V741-T745 PolarHBondContact O-OG1 3.27Å |
| 742 | T | 68.6 | Low | 65.7 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 33% | 0.325 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.4 | -40.3 | 176.9 | 43.7 | 0 | 0 | 0 | 0 | 113.2 | L724 T738 S739 L744 T745 N746 | L724-T742 HydrophobicContact CD1-CG2 4.45Å; T738-T742 WeakPolarHBondContact O-CB 3.39Å; T738-T742 WeakPolarHBondContact O-CG2 3.44Å; T738-T742 PolarHBondContact O-N 3.21Å; T738-T742 PolarHBondContact O-OG1 3.47Å; S739-T742 WeakPolarHBondContact CA-OG1 3.24Å; S739-T742 PolarHBondContact O-OG1 3.46Å; T742-L744 VanDerWaalsContact C-N 3.35Å; T742-L744 PolarHBondContact O-N 2.65Å; T742-T745 PolarHBondContact O-N 3.43Å; T742-N746 WeakPolarHBondContact O-CB 3.28Å; T742-N746 VanDerWaalsContact O-CG 3.27Å; T742-N746 PolarHBondContact O-N 2.91Å; T742-N746 PolarHBondContact O-ND2 3.25Å |
| 743 | N | 73.9 | Confident | 68.8 | Low | 99 Ų | 99 | 92.7 Ų | 92.7 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -37 | 173.9 | -86.4 | -32.7 | 0 | 0 | 0 | 113.1 | S739 V741 K747 | S739-N743 WeakPolarHBondContact O-CB 3.42Å; S739-N743 PolarHBondContact O-N 3.48Å; S739-N743 PolarHBondContact O-ND2 3.33Å; V741-N743 VanDerWaalsContact C-N 3.31Å; V741-N743 PolarHBondContact O-N 3.02Å; N743-K747 WeakPolarHBondContact O-CG 3.43Å; N743-K747 PolarHBondContact O-N 3.26Å; N743-K747 VanDerWaalsContact O-N 3.09Å |
| 744 | L | 76.6 | Confident | 72 | Confident | 108 Ų | 108 | 89.9 Ų | 89.9 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.6 | -44 | 177.4 | -174.5 | 65.3 | 0 | 0 | 0 | 111.3 | S740 V741 T742 N746 K747 I748 | S740-L744 PolarHBondContact O-N 3.5Å; S740-L744 VanDerWaalsContact O-N 3.15Å; V741-L744 WeakPolarHBondContact O-CB 3.47Å; V741-L744 PolarHBondContact O-N 3.34Å; T742-L744 VanDerWaalsContact C-N 3.35Å; T742-L744 PolarHBondContact O-N 2.65Å; L744-N746 VanDerWaalsContact C-N 3.32Å; L744-N746 PolarHBondContact O-N 2.89Å; L744-K747 PolarHBondContact O-N 2.66Å; L744-I748 HydrophobicContact CG-CD1 4.2Å; L744-I748 WeakPolarHBondContact O-CG1 3.26Å; L744-I748 PolarHBondContact O-N 3.42Å |
| 745 | T | 81.4 | Confident | 74.9 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 42% | 0.423 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 176.5 | -3 | 0 | 0 | 0 | 0 | 111.7 | V741 T742 I748 L749 | V741-T745 PolarHBondContact O-N 3Å; V741-T745 PolarHBondContact O-OG1 3.27Å; T742-T745 PolarHBondContact O-N 3.43Å; T745-I748 PolarHBondContact O-N 3.31Å; T745-L749 PolarHBondContact O-N 3.08Å |
| 746 | N | 84.2 | Confident | 77.5 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.3 | -73.2 | -17.9 | 0 | 0 | 0 | 111.2 | T742 L744 I748 L749 E750 | T742-N746 WeakPolarHBondContact O-CB 3.28Å; T742-N746 VanDerWaalsContact O-CG 3.27Å; T742-N746 PolarHBondContact O-N 2.91Å; T742-N746 PolarHBondContact O-ND2 3.25Å; L744-N746 VanDerWaalsContact C-N 3.32Å; L744-N746 PolarHBondContact O-N 2.89Å; N746-I748 VanDerWaalsContact C-N 3.3Å; N746-I748 PolarHBondContact O-N 2.93Å; N746-L749 WeakPolarHBondContact O-CB 3.4Å; N746-L749 PolarHBondContact O-N 3.37Å; N746-L749 VanDerWaalsContact O-N 3.13Å; N746-E750 VanDerWaalsContact O-CG 3.23Å; N746-E750 WeakPolarHBondContact O-CG 3.46Å; N746-E750 PolarHBondContact O-N 3.01Å |
| 747 | K | 87.9 | Confident | 79.7 | Confident | 143 Ų | 143 | 74.7 Ų | 74.7 | 62% | 0.622 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.2 | -37.9 | 176.9 | -77.3 | -177.2 | 177.8 | -175.2 | 0 | 113.5 | N743 L744 S751 | N743-K747 WeakPolarHBondContact O-CG 3.43Å; N743-K747 PolarHBondContact O-N 3.26Å; N743-K747 VanDerWaalsContact O-N 3.09Å; L744-K747 PolarHBondContact O-N 2.66Å; K747-S751 WeakPolarHBondContact O-CB 3.41Å; K747-S751 PolarHBondContact O-N 2.98Å |
| 748 | I | 90.2 | Very high | 81.6 | Confident | 93 Ų | 93 | 71.9 Ų | 71.9 | 48% | 0.477 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 175.2 | -67.4 | 166.8 | 0 | 0 | 0 | 109.8 | L744 T745 N746 E750 S751 R752 | L744-I748 HydrophobicContact CG-CD1 4.2Å; L744-I748 WeakPolarHBondContact O-CG1 3.26Å; L744-I748 PolarHBondContact O-N 3.42Å; T745-I748 PolarHBondContact O-N 3.31Å; N746-I748 VanDerWaalsContact C-N 3.3Å; N746-I748 PolarHBondContact O-N 2.93Å; I748-E750 PolarHBondContact O-N 2.92Å; I748-S751 PolarHBondContact O-N 3.49Å; I748-R752 WeakPolarHBondContact O-CG 3.32Å; I748-R752 PolarHBondContact O-N 3.1Å |
| 749 | L | 91.2 | Very high | 83.5 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 176.5 | 179.4 | 63 | 0 | 0 | 0 | 111.3 | T745 N746 S751 R752 L753 Y772 | T745-L749 PolarHBondContact O-N 3.08Å; N746-L749 WeakPolarHBondContact O-CB 3.4Å; N746-L749 PolarHBondContact O-N 3.37Å; N746-L749 VanDerWaalsContact O-N 3.13Å; L749-S751 VanDerWaalsContact C-N 3.32Å; L749-S751 PolarHBondContact O-N 3.19Å; L749-R752 PolarHBondContact O-N 2.97Å; L749-R752 VanDerWaalsContact O-N 3.15Å; L749-L753 HydrophobicContact CD1-CD1 4.4Å; L749-L753 HydrophobicContact CD1-CG 4.34Å; L749-L753 HydrophobicContact CG-CD1 4.04Å; L749-L753 HydrophobicContact CG-CG 4.43Å; L749-L753 VanDerWaalsContact O-CG 3.27Å; L749-L753 WeakPolarHBondContact O-CG 3.42Å; L749-L753 PolarHBondContact O-N 3.05Å; L749-Y772 HydrophobicContact CD1-CD1 3.81Å; L749-Y772 HydrophobicContact CD1-CG 4Å |
| 750 | E | 94.2 | Very high | 85.2 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 176.6 | -68.2 | 178.4 | -175.8 | 0 | 0 | 112.4 | N746 I748 L753 R754 W779 | N746-E750 VanDerWaalsContact O-CG 3.23Å; N746-E750 WeakPolarHBondContact O-CG 3.46Å; N746-E750 PolarHBondContact O-N 3.01Å; I748-E750 PolarHBondContact O-N 2.92Å; E750-L753 PolarHBondContact O-N 3.23Å; E750-R754 WeakPolarHBondContact O-CG 3.47Å; E750-R754 PolarHBondContact O-N 3.29Å; E750-W779 HydrophobicContact CB-CH2 4.15Å; E750-W779 HydrophobicContact CB-CZ2 3.78Å; E750-W779 HydrophobicContact CG-CD2 3.99Å; E750-W779 VanDerWaalsContact CG-CE2 3.43Å; E750-W779 HydrophobicContact CG-CG 4.31Å; E750-W779 HydrophobicContact CG-CH2 4.38Å; E750-W779 HydrophobicContact CG-CZ2 3.65Å; E750-W779 PolarHBondContact OE1-NE1 2.85Å |
| 751 | S | 93.7 | Very high | 86.7 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 54% | 0.538 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.3 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | K747 I748 L749 R754 E755 | K747-S751 WeakPolarHBondContact O-CB 3.41Å; K747-S751 PolarHBondContact O-N 2.98Å; I748-S751 PolarHBondContact O-N 3.49Å; L749-S751 VanDerWaalsContact C-N 3.32Å; L749-S751 PolarHBondContact O-N 3.19Å; S751-R754 PolarHBondContact O-N 2.79Å; S751-E755 PolarHBondContact O-N 2.91Å; S751-E755 VanDerWaalsContact O-N 3.07Å |
| 752 | R | 94 | Very high | 87.8 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 45% | 0.445 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 177.3 | -68.3 | -59.7 | -175.3 | -175.1 | 4.2 | 112.2 | I748 L749 R754 E755 I756 Y772 | I748-R752 WeakPolarHBondContact O-CG 3.32Å; I748-R752 PolarHBondContact O-N 3.1Å; L749-R752 PolarHBondContact O-N 2.97Å; L749-R752 VanDerWaalsContact O-N 3.15Å; R752-R754 VanDerWaalsContact C-N 3.34Å; R752-R754 PolarHBondContact O-N 3.26Å; R752-E755 IonicContact CZ-OE2 3.16Å; R752-E755 IonicContact NH1-OE2 2.78Å; R752-E755 PolarHBondContact NH1-OE2 3.37Å; R752-E755 WeakPolarHBondContact O-CB 3.48Å; R752-E755 PolarHBondContact O-N 3.23Å; R752-I756 VanDerWaalsContact O-CG1 3.28Å; R752-I756 WeakPolarHBondContact O-CG1 3.45Å; R752-I756 PolarHBondContact O-N 3.48Å; R752-Y772 HydrophobicContact CB-CD2 4.32Å |
| 753 | L | 95.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 175.2 | -69 | 168.8 | 0 | 0 | 0 | 111.8 | L749 E750 E755 I756 V757 L773 W779 | L749-L753 HydrophobicContact CD1-CD1 4.4Å; L749-L753 HydrophobicContact CD1-CG 4.34Å; L749-L753 HydrophobicContact CG-CD1 4.04Å; L749-L753 HydrophobicContact CG-CG 4.43Å; L749-L753 VanDerWaalsContact O-CG 3.27Å; L749-L753 WeakPolarHBondContact O-CG 3.42Å; L749-L753 PolarHBondContact O-N 3.05Å; E750-L753 PolarHBondContact O-N 3.23Å; L753-E755 VanDerWaalsContact C-N 3.35Å; L753-I756 PolarHBondContact O-N 3.05Å; L753-V757 VanDerWaalsContact O-CG2 3.31Å; L753-V757 WeakPolarHBondContact O-CG2 3.27Å; L753-V757 PolarHBondContact O-N 3.5Å; L753-L773 HydrophobicContact CD2-CD2 4.01Å; L753-L773 HydrophobicContact CD2-CG 4.43Å; L753-W779 HydrophobicContact CB-CE3 4.46Å; L753-W779 HydrophobicContact CB-CZ3 4.09Å; L753-W779 HydrophobicContact CD1-CD2 4.48Å; L753-W779 HydrophobicContact CD1-CE3 3.73Å; L753-W779 HydrophobicContact CD1-CZ3 4.19Å |
| 754 | R | 95.5 | Very high | 89.1 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 48% | 0.475 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.4 | -71 | 179.4 | -174.4 | -74.7 | -2.7 | 112 | E750 S751 R752 S758 W779 L784 | E750-R754 WeakPolarHBondContact O-CG 3.47Å; E750-R754 PolarHBondContact O-N 3.29Å; S751-R754 PolarHBondContact O-N 2.79Å; R752-R754 VanDerWaalsContact C-N 3.34Å; R752-R754 PolarHBondContact O-N 3.26Å; R754-S758 WeakPolarHBondContact O-CB 3.5Å; R754-S758 PolarHBondContact O-N 3.34Å; R754-S758 VanDerWaalsContact O-N 3.11Å; R754-S758 PolarHBondContact O-OG 3.39Å; R754-W779 HydrophobicContact CG-CH2 4.05Å; R754-L784 HydrophobicContact CG-CD2 4.34Å |
| 755 | E | 93.2 | Very high | 89.5 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.1 | -52.2 | 175.5 | -171.3 | -173 | 165.7 | 0 | 0 | 110.9 | S751 R752 L753 V757 S758 R759 | S751-E755 PolarHBondContact O-N 2.91Å; S751-E755 VanDerWaalsContact O-N 3.07Å; R752-E755 IonicContact CZ-OE2 3.16Å; R752-E755 IonicContact NH1-OE2 2.78Å; R752-E755 PolarHBondContact NH1-OE2 3.37Å; R752-E755 WeakPolarHBondContact O-CB 3.48Å; R752-E755 PolarHBondContact O-N 3.23Å; L753-E755 VanDerWaalsContact C-N 3.35Å; E755-V757 PolarHBondContact O-N 3.32Å; E755-S758 PolarHBondContact O-N 3.21Å; E755-S758 PolarHBondContact O-OG 3.23Å; E755-R759 PolarHBondContact O-N 2.72Å; E755-R759 IonicContact OE1-CZ 3.12Å; E755-R759 IonicContact OE1-NH2 2.68Å; E755-R759 PolarHBondContact OE1-NH2 2.95Å |
| 756 | I | 91.5 | Very high | 89.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 180 | -66.7 | 162.3 | 0 | 0 | 0 | 111.3 | R752 L753 S758 R759 L765 E769 L773 | R752-I756 VanDerWaalsContact O-CG1 3.28Å; R752-I756 WeakPolarHBondContact O-CG1 3.45Å; R752-I756 PolarHBondContact O-N 3.48Å; L753-I756 PolarHBondContact O-N 3.05Å; I756-S758 VanDerWaalsContact C-N 3.25Å; I756-S758 PolarHBondContact O-N 3.18Å; I756-R759 VanDerWaalsContact O-CB 3.28Å; I756-R759 WeakPolarHBondContact O-CB 3.46Å; I756-R759 WeakPolarHBondContact O-CG 3.29Å; I756-R759 PolarHBondContact O-N 2.97Å; I756-R759 VanDerWaalsContact O-N 3.12Å; I756-L765 HydrophobicContact CG2-CD2 3.62Å; I756-E769 HydrophobicContact CD1-CB 3.79Å; I756-E769 HydrophobicContact CD1-CG 3.89Å; I756-E769 HydrophobicContact CG1-CB 4.31Å; I756-E769 HydrophobicContact CG1-CG 4.09Å; I756-L773 HydrophobicContact CD1-CG 4.32Å; I756-L773 HydrophobicContact CG2-CD1 3.98Å; I756-L773 HydrophobicContact CG2-CD2 4.13Å; I756-L773 HydrophobicContact CG2-CG 4.2Å |
| 757 | V | 90.7 | Very high | 89.9 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -24 | -176.7 | 174.8 | 0 | 0 | 0 | 0 | 112.7 | L753 E755 R759 L784 S786 A787 | L753-V757 VanDerWaalsContact O-CG2 3.31Å; L753-V757 WeakPolarHBondContact O-CG2 3.27Å; L753-V757 PolarHBondContact O-N 3.5Å; E755-V757 PolarHBondContact O-N 3.32Å; V757-R759 VanDerWaalsContact C-N 3.28Å; V757-L784 HydrophobicContact CB-CD2 3.69Å; V757-L784 HydrophobicContact CB-CG 4.28Å; V757-L784 HydrophobicContact CG1-CD1 4.31Å; V757-L784 HydrophobicContact CG1-CD2 3.97Å; V757-L784 HydrophobicContact CG1-CG 3.99Å; V757-L784 HydrophobicContact CG2-CD2 3.55Å; V757-L784 HydrophobicContact CG2-CG 4.21Å; V757-S786 WeakPolarHBondContact CG1-OG 3.36Å; V757-A787 HydrophobicContact CG2-CB 3.58Å |
| 758 | S | 90.2 | Very high | 90 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -75.4 | -14.3 | 174 | 71.9 | 0 | 0 | 0 | 0 | 114 | R754 E755 I756 | R754-S758 WeakPolarHBondContact O-CB 3.5Å; R754-S758 PolarHBondContact O-N 3.34Å; R754-S758 VanDerWaalsContact O-N 3.11Å; R754-S758 PolarHBondContact O-OG 3.39Å; E755-S758 PolarHBondContact O-N 3.21Å; E755-S758 PolarHBondContact O-OG 3.23Å; I756-S758 VanDerWaalsContact C-N 3.25Å; I756-S758 PolarHBondContact O-N 3.18Å |
| 759 | R | 90.5 | Very high | 90.1 | Very high | 52 Ų | 52 | 55 Ų | 55 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -66.2 | 155.6 | 176.4 | -59.1 | -63.7 | -177.8 | -179.8 | -4.8 | 111.5 | E755 I756 V757 Y763 W790 | E755-R759 PolarHBondContact O-N 2.72Å; E755-R759 IonicContact OE1-CZ 3.12Å; E755-R759 IonicContact OE1-NH2 2.68Å; E755-R759 PolarHBondContact OE1-NH2 2.95Å; I756-R759 VanDerWaalsContact O-CB 3.28Å; I756-R759 WeakPolarHBondContact O-CB 3.46Å; I756-R759 WeakPolarHBondContact O-CG 3.29Å; I756-R759 PolarHBondContact O-N 2.97Å; I756-R759 VanDerWaalsContact O-N 3.12Å; V757-R759 VanDerWaalsContact C-N 3.28Å; R759-Y763 HydrophobicContact CB-CD1 4.03Å; R759-Y763 HydrophobicContact CB-CD2 4.37Å; R759-Y763 HydrophobicContact CB-CG 3.82Å; R759-Y763 HydrophobicContact CG-CD1 3.96Å; R759-Y763 HydrophobicContact CG-CD2 4.23Å; R759-Y763 HydrophobicContact CG-CE1 4.18Å; R759-Y763 HydrophobicContact CG-CE2 4.44Å; R759-Y763 HydrophobicContact CG-CG 3.99Å; R759-W790 HydrophobicContact CB-CZ2 4.37Å |
| 760 | D | 89.8 | Confident | 90 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | trans | -68.7 | 157.5 | 178.2 | 78.9 | -83.5 | 0 | 0 | 0 | 111.8 | L762 Y763 W790 L1274 R1298 V1303 | D760-L762 PolarHBondContact O-N 3.47Å; D760-L762 WeakPolarHBondContact OD2-CB 3.46Å; D760-L762 PolarHBondContact OD2-N 3.38Å; D760-L762 VanDerWaalsContact OD2-N 3.1Å; D760-Y763 WeakPolarHBondContact O-CB 3.43Å; D760-Y763 PolarHBondContact O-N 2.8Å; D760-Y763 VanDerWaalsContact O-N 3.08Å; D760-W790 VanDerWaalsContact O-CH2 3.25Å; D760-W790 WeakPolarHBondContact O-CH2 3.38Å; D760-W790 WeakPolarHBondContact O-CZ2 3.09Å; D760-L1274 HydrophobicContact CB-CD1 3.96Å; D760-R1298 IonicContact OD1-CZ 3.13Å; D760-R1298 IonicContact OD1-NE 2.65Å; D760-R1298 IonicContact OD1-NH2 3.94Å; D760-R1298 PolarHBondContact OD1-NH2 2.95Å; D760-R1298 IonicContact OD2-CZ 3.34Å; D760-R1298 IonicContact OD2-NE 3.19Å; D760-R1298 PolarHBondContact OD2-NE 3.27Å; D760-R1298 IonicContact OD2-NH2 2.68Å; D760-R1298 PolarHBondContact OD2-NH2 3.46Å; D760-V1303 HydrophobicContact CB-CB 4.09Å; D760-V1303 HydrophobicContact CB-CG1 4.42Å; D760-V1303 HydrophobicContact CB-CG2 4.01Å | ||
| 761 | P | 86.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.4 | -172.8 | -24 | 35.4 | 0 | 0 | 0 | 115.5 | N1271 | P761-N1271 WeakPolarHBondContact CD-OD1 3.47Å; P761-N1271 HydrophobicContact CG-CB 4.02Å |
| 762 | L | 84.8 | Confident | 89.9 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 2.2 | -178.5 | -55.2 | 176.4 | 0 | 0 | 0 | 112.5 | D760 E764 L831 L1274 A1278 V1291 L1294 R1298 | D760-L762 PolarHBondContact O-N 3.47Å; D760-L762 WeakPolarHBondContact OD2-CB 3.46Å; D760-L762 PolarHBondContact OD2-N 3.38Å; D760-L762 VanDerWaalsContact OD2-N 3.1Å; L762-E764 PolarHBondContact O-N 2.95Å; L762-L831 HydrophobicContact CD2-CD2 4.03Å; L762-L1274 HydrophobicContact CD1-CB 4.4Å; L762-L1274 HydrophobicContact CD1-CD2 4.05Å; L762-A1278 HydrophobicContact CD2-CB 4.13Å; L762-V1291 HydrophobicContact CB-CG1 4.47Å; L762-V1291 HydrophobicContact CD1-CG1 4.4Å; L762-V1291 HydrophobicContact CD2-CG1 4.11Å; L762-L1294 HydrophobicContact CD1-CB 3.68Å; L762-L1294 HydrophobicContact CD1-CD1 3.72Å; L762-L1294 HydrophobicContact CD1-CG 4.35Å; L762-L1294 HydrophobicContact CD2-CD1 4.31Å; L762-R1298 HydrophobicContact CD1-CG 3.94Å |
| 763 | Y | 86.7 | Confident | 89.9 | Confident | 58 Ų | 58 | 50.9 Ų | 50.9 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | trans | -63.1 | 129.8 | 174.4 | 178.8 | -97.1 | 0 | 0 | 0 | 111.4 | R759 D760 L765 E769 W790 | R759-Y763 HydrophobicContact CB-CD1 4.03Å; R759-Y763 HydrophobicContact CB-CD2 4.37Å; R759-Y763 HydrophobicContact CB-CG 3.82Å; R759-Y763 HydrophobicContact CG-CD1 3.96Å; R759-Y763 HydrophobicContact CG-CD2 4.23Å; R759-Y763 HydrophobicContact CG-CE1 4.18Å; R759-Y763 HydrophobicContact CG-CE2 4.44Å; R759-Y763 HydrophobicContact CG-CG 3.99Å; D760-Y763 WeakPolarHBondContact O-CB 3.43Å; D760-Y763 PolarHBondContact O-N 2.8Å; D760-Y763 VanDerWaalsContact O-N 3.08Å; Y763-L765 HydrophobicContact CD1-CD2 4.25Å; Y763-L765 HydrophobicContact CE1-CD2 4.19Å; Y763-E769 PolarHBondContact OH-OE1 3.15Å; Y763-E769 PolarHBondContact OH-OE2 3.45Å; Y763-W790 HydrophobicContact CD1-CH2 4.46Å; Y763-W790 WeakPolarHBondContact O-CZ3 3.36Å | ||
| 764 | E | 82.7 | Confident | 89.8 | Confident | 94 Ų | 94 | 53.2 Ų | 53.2 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | trans | -88 | 114.2 | 179.3 | -169.7 | -176.6 | 168.8 | 0 | 0 | 110 | L762 K846 | L762-E764 PolarHBondContact O-N 2.95Å; E764-K846 IonicContact OE1-NZ 2.83Å | ||
| 765 | L | 84.4 | Confident | 89.7 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | trans | -68.6 | 129.8 | 178.2 | -65.2 | 171.5 | 0 | 0 | 0 | 111.7 | I756 Y763 E769 K770 L773 W790 Q793 V794 | I756-L765 HydrophobicContact CG2-CD2 3.62Å; Y763-L765 HydrophobicContact CD1-CD2 4.25Å; Y763-L765 HydrophobicContact CE1-CD2 4.19Å; L765-E769 HydrophobicContact CD2-CB 4.08Å; L765-K770 HydrophobicContact CB-CG 3.92Å; L765-K770 HydrophobicContact CD1-CG 4.36Å; L765-K770 WeakPolarHBondContact O-CE 3.38Å; L765-L773 HydrophobicContact CD1-CD1 3.5Å; L765-L773 VanDerWaalsContact CD1-CD1 3.5Å; L765-L773 HydrophobicContact CD2-CD1 3.92Å; L765-L773 HydrophobicContact CG-CD1 4.38Å; L765-W790 HydrophobicContact CD1-CE3 3.87Å; L765-W790 HydrophobicContact CD1-CZ3 4.38Å; L765-W790 HydrophobicContact CD2-CE3 4Å; L765-W790 HydrophobicContact CD2-CZ3 4.15Å; L765-W790 HydrophobicContact CG-CE3 3.97Å; L765-W790 HydrophobicContact CG-CZ3 4.03Å; L765-Q793 HydrophobicContact CD1-CB 4.37Å; L765-V794 HydrophobicContact CD1-CG1 4.13Å | ||
| 766 | C | 88.5 | Confident | 89.8 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | trans | -77 | 160.8 | 166.8 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | Q768 E769 K770 | C766-Q768 PolarHBondContact O-N 3.1Å; C766-Q768 VanDerWaalsContact O-N 3.14Å; C766-E769 PolarHBondContact N-OE2 3.12Å; C766-E769 WeakPolarHBondContact O-CB 3.17Å; C766-E769 PolarHBondContact O-N 2.91Å; C766-E769 VanDerWaalsContact SG-CD 3.55Å; C766-E769 VanDerWaalsContact SG-CG 3.51Å; C766-E769 PolarHBondContact SG-OE2 3.01Å; C766-K770 WeakPolarHBondContact O-CG 3.08Å; C766-K770 PolarHBondContact O-N 3.42Å | ||
| 767 | E | 85.4 | Confident | 89.9 | Confident | 138 Ų | 138 | 52.2 Ų | 52.2 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.5 | -32.6 | -176.7 | -65 | -55.1 | 124.3 | 0 | 0 | 113.7 | K770 D771 | E767-K770 PolarHBondContact O-N 3.09Å; E767-K770 IonicContact OE1-NZ 3.8Å; E767-K770 PolarHBondContact OE1-NZ 3.32Å; E767-D771 PolarHBondContact O-N 3.05Å; E767-D771 VanDerWaalsContact O-N 3.08Å |
| 768 | Q | 90.2 | Very high | 90.1 | Very high | 135 Ų | 135 | 55.5 Ų | 55.5 | 63% | 0.631 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.1 | -41.2 | 176.9 | -67.2 | 165.7 | -6.4 | 0 | 0 | 111.8 | C766 K770 D771 Y772 | C766-Q768 PolarHBondContact O-N 3.1Å; C766-Q768 VanDerWaalsContact O-N 3.14Å; Q768-K770 VanDerWaalsContact C-N 3.29Å; Q768-K770 PolarHBondContact O-N 2.98Å; Q768-D771 PolarHBondContact O-N 3.49Å; Q768-Y772 HydrophobicContact CB-CE2 4.47Å; Q768-Y772 VanDerWaalsContact O-CD2 3.3Å; Q768-Y772 WeakPolarHBondContact O-CD2 3.33Å; Q768-Y772 VanDerWaalsContact O-CG 3.28Å; Q768-Y772 PolarHBondContact O-N 3.25Å |
| 769 | E | 92.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -35.2 | 175.1 | -70 | 166 | 142.3 | 0 | 0 | 111.5 | I756 Y763 L765 C766 Y772 L773 | I756-E769 HydrophobicContact CD1-CB 3.79Å; I756-E769 HydrophobicContact CD1-CG 3.89Å; I756-E769 HydrophobicContact CG1-CB 4.31Å; I756-E769 HydrophobicContact CG1-CG 4.09Å; Y763-E769 PolarHBondContact OH-OE1 3.15Å; Y763-E769 PolarHBondContact OH-OE2 3.45Å; L765-E769 HydrophobicContact CD2-CB 4.08Å; C766-E769 PolarHBondContact N-OE2 3.12Å; C766-E769 WeakPolarHBondContact O-CB 3.17Å; C766-E769 PolarHBondContact O-N 2.91Å; C766-E769 VanDerWaalsContact SG-CD 3.55Å; C766-E769 VanDerWaalsContact SG-CG 3.51Å; C766-E769 PolarHBondContact SG-OE2 3.01Å; E769-Y772 PolarHBondContact O-N 2.89Å; E769-L773 WeakPolarHBondContact O-CG 3.5Å; E769-L773 PolarHBondContact O-N 3.44Å |
| 770 | K | 89.9 | Confident | 90.6 | Very high | 48 Ų | 48 | 51.4 Ų | 51.4 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 173.7 | -62 | -178.7 | -174.6 | 168.8 | 0 | 111.5 | L765 C766 E767 Q768 L773 W774 V794 | L765-K770 HydrophobicContact CB-CG 3.92Å; L765-K770 HydrophobicContact CD1-CG 4.36Å; L765-K770 WeakPolarHBondContact O-CE 3.38Å; C766-K770 WeakPolarHBondContact O-CG 3.08Å; C766-K770 PolarHBondContact O-N 3.42Å; E767-K770 PolarHBondContact O-N 3.09Å; E767-K770 IonicContact OE1-NZ 3.8Å; E767-K770 PolarHBondContact OE1-NZ 3.32Å; Q768-K770 VanDerWaalsContact C-N 3.29Å; Q768-K770 PolarHBondContact O-N 2.98Å; K770-L773 PolarHBondContact O-N 2.81Å; K770-W774 PolarHBondContact O-N 3.1Å; K770-V794 HydrophobicContact CB-CB 4.34Å; K770-V794 HydrophobicContact CB-CG1 3.67Å; K770-V794 HydrophobicContact CG-CG1 3.76Å |
| 771 | D | 90.8 | Very high | 90.9 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 40% | 0.401 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.7 | -179.8 | 60.5 | 0 | 0 | 0 | 111.6 | E767 Q768 L773 W774 R775 | E767-D771 PolarHBondContact O-N 3.05Å; E767-D771 VanDerWaalsContact O-N 3.08Å; Q768-D771 PolarHBondContact O-N 3.49Å; D771-L773 PolarHBondContact O-N 3.18Å; D771-W774 PolarHBondContact O-N 3.14Å; D771-R775 VanDerWaalsContact CG-CD 3.49Å; D771-R775 WeakPolarHBondContact O-CB 3.46Å; D771-R775 WeakPolarHBondContact O-CG 3.42Å; D771-R775 PolarHBondContact O-N 3.23Å; D771-R775 WeakPolarHBondContact OD1-CD 3.23Å; D771-R775 WeakPolarHBondContact OD2-CD 3.5Å; D771-R775 IonicContact OD2-CZ 3.84Å; D771-R775 IonicContact OD2-NE 2.78Å; D771-R775 IonicContact OD2-NH1 3.91Å; D771-R775 PolarHBondContact OD2-NH1 3.4Å; D771-R775 VanDerWaalsContact OD2-NH1 3.1Å |
| 772 | Y | 94.6 | Very high | 91.2 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 177 | -64.2 | -31.3 | 0 | 0 | 0 | 112.2 | L749 R752 Q768 E769 W774 R775 G776 | L749-Y772 HydrophobicContact CD1-CD1 3.81Å; L749-Y772 HydrophobicContact CD1-CG 4Å; R752-Y772 HydrophobicContact CB-CD2 4.32Å; Q768-Y772 HydrophobicContact CB-CE2 4.47Å; Q768-Y772 VanDerWaalsContact O-CD2 3.3Å; Q768-Y772 WeakPolarHBondContact O-CD2 3.33Å; Q768-Y772 VanDerWaalsContact O-CG 3.28Å; Q768-Y772 PolarHBondContact O-N 3.25Å; E769-Y772 PolarHBondContact O-N 2.89Å; Y772-W774 PolarHBondContact O-N 2.88Å; Y772-R775 PolarHBondContact O-N 3.15Å; Y772-G776 WeakPolarHBondContact O-CA 3.16Å; Y772-G776 PolarHBondContact O-N 2.9Å |
| 773 | L | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 177.4 | -80.8 | 167.5 | 0 | 0 | 0 | 111.7 | L753 I756 L765 E769 K770 D771 G776 R777 W790 V794 | L753-L773 HydrophobicContact CD2-CD2 4.01Å; L753-L773 HydrophobicContact CD2-CG 4.43Å; I756-L773 HydrophobicContact CD1-CG 4.32Å; I756-L773 HydrophobicContact CG2-CD1 3.98Å; I756-L773 HydrophobicContact CG2-CD2 4.13Å; I756-L773 HydrophobicContact CG2-CG 4.2Å; L765-L773 HydrophobicContact CD1-CD1 3.5Å; L765-L773 VanDerWaalsContact CD1-CD1 3.5Å; L765-L773 HydrophobicContact CD2-CD1 3.92Å; L765-L773 HydrophobicContact CG-CD1 4.38Å; E769-L773 WeakPolarHBondContact O-CG 3.5Å; E769-L773 PolarHBondContact O-N 3.44Å; K770-L773 PolarHBondContact O-N 2.81Å; D771-L773 PolarHBondContact O-N 3.18Å; L773-G776 PolarHBondContact O-N 2.87Å; L773-R777 PolarHBondContact O-N 3.49Å; L773-R777 VanDerWaalsContact O-N 3.09Å; L773-W790 HydrophobicContact CD1-CB 3.95Å; L773-W790 HydrophobicContact CD2-CB 4Å; L773-V794 HydrophobicContact CB-CG1 4.25Å; L773-V794 HydrophobicContact CB-CG2 4.1Å; L773-V794 HydrophobicContact CD1-CG1 4.01Å |
| 774 | W | 93.1 | Very high | 92.1 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 19% | 0.186 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -52.9 | 179.3 | -171.3 | -114.9 | 0 | 0 | 0 | 110.2 | K770 D771 Y772 G776 R777 V794 V795 T802 F806 | K770-W774 PolarHBondContact O-N 3.1Å; D771-W774 PolarHBondContact O-N 3.14Å; Y772-W774 PolarHBondContact O-N 2.88Å; W774-G776 PolarHBondContact O-N 3.33Å; W774-R777 VanDerWaalsContact O-CB 3.27Å; W774-R777 WeakPolarHBondContact O-CB 3.12Å; W774-R777 WeakPolarHBondContact O-CD 3.43Å; W774-R777 WeakPolarHBondContact O-CG 3.45Å; W774-R777 PolarHBondContact O-N 2.79Å; W774-R777 VanDerWaalsContact O-N 3.16Å; W774-R777 PolarHBondContact O-NH1 2.61Å; W774-V794 HydrophobicContact CB-CG2 4.22Å; W774-V794 HydrophobicContact CE3-CG2 4.06Å; W774-V795 HydrophobicContact CZ3-CG2 4.03Å; W774-T802 HydrophobicContact CH2-CG2 3.49Å; W774-T802 VanDerWaalsContact CH2-CG2 3.49Å; W774-T802 HydrophobicContact CZ2-CG2 3.5Å; W774-T802 VanDerWaalsContact CZ2-CG2 3.5Å; W774-T802 HydrophobicContact CZ3-CG2 4.27Å; W774-F806 HydrophobicContact CH2-CB 4.43Å |
| 775 | R | 93.4 | Very high | 92.6 | Very high | 131 Ų | 131 | 56.9 Ų | 56.9 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.9 | -34.6 | 177.8 | -71.4 | 168.4 | 58.1 | -177.3 | -1 | 113.4 | D771 Y772 | D771-R775 VanDerWaalsContact CG-CD 3.49Å; D771-R775 WeakPolarHBondContact O-CB 3.46Å; D771-R775 WeakPolarHBondContact O-CG 3.42Å; D771-R775 PolarHBondContact O-N 3.23Å; D771-R775 WeakPolarHBondContact OD1-CD 3.23Å; D771-R775 WeakPolarHBondContact OD2-CD 3.5Å; D771-R775 IonicContact OD2-CZ 3.84Å; D771-R775 IonicContact OD2-NE 2.78Å; D771-R775 IonicContact OD2-NH1 3.91Å; D771-R775 PolarHBondContact OD2-NH1 3.4Å; D771-R775 VanDerWaalsContact OD2-NH1 3.1Å; Y772-R775 PolarHBondContact O-N 3.15Å |
| 776 | G | 94.8 | Very high | 93 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -81.4 | -5.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y772 L773 W774 Y778 W779 C780 | Y772-G776 WeakPolarHBondContact O-CA 3.16Å; Y772-G776 PolarHBondContact O-N 2.9Å; L773-G776 PolarHBondContact O-N 2.87Å; W774-G776 PolarHBondContact O-N 3.33Å; G776-Y778 VanDerWaalsContact C-N 3.32Å; G776-Y778 PolarHBondContact O-N 2.89Å; G776-Y778 VanDerWaalsContact O-N 3.11Å; G776-W779 WeakPolarHBondContact O-CA 3.24Å; G776-W779 WeakPolarHBondContact O-CB 3.36Å; G776-W779 PolarHBondContact O-N 3.34Å; G776-C780 PolarHBondContact O-N 3.09Å |
| 777 | R | 94.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -49 | -42.7 | -169.1 | 66.1 | -165.7 | 172 | -87.5 | 8 | 115.3 | L773 W774 C780 L781 I791 E805 L809 | L773-R777 PolarHBondContact O-N 3.49Å; L773-R777 VanDerWaalsContact O-N 3.09Å; W774-R777 VanDerWaalsContact O-CB 3.27Å; W774-R777 WeakPolarHBondContact O-CB 3.12Å; W774-R777 WeakPolarHBondContact O-CD 3.43Å; W774-R777 WeakPolarHBondContact O-CG 3.45Å; W774-R777 PolarHBondContact O-N 2.79Å; W774-R777 VanDerWaalsContact O-N 3.16Å; W774-R777 PolarHBondContact O-NH1 2.61Å; R777-C780 PolarHBondContact O-N 2.9Å; R777-L781 PolarHBondContact O-N 2.97Å; R777-I791 HydrophobicContact CB-CD1 4.31Å; R777-E805 IonicContact CZ-OE1 3.61Å; R777-E805 IonicContact CZ-OE2 3.47Å; R777-E805 IonicContact NE-OE1 3.79Å; R777-E805 PolarHBondContact NE-OE1 3.41Å; R777-E805 IonicContact NE-OE2 2.66Å; R777-E805 VanDerWaalsContact NH2-CD 3.34Å; R777-E805 IonicContact NH2-OE1 2.82Å; R777-E805 PolarHBondContact NH2-OE1 2.94Å; R777-E805 IonicContact NH2-OE2 2.9Å; R777-E805 PolarHBondContact NH2-OE2 2.81Å; R777-L809 HydrophobicContact CB-CD2 3.93Å; R777-L809 HydrophobicContact CG-CD2 4.3Å |
| 778 | Y | 95.1 | Very high | 93.6 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.2 | -33.8 | 178.1 | -68.4 | -74.2 | 0 | 0 | 0 | 113.4 | Y654 G776 N782 E805 L809 | Y654-Y778 PolarHBondContact OH-OH 3.16Å; G776-Y778 VanDerWaalsContact C-N 3.32Å; G776-Y778 PolarHBondContact O-N 2.89Å; G776-Y778 VanDerWaalsContact O-N 3.11Å; Y778-N782 PolarHBondContact O-N 2.93Å; Y778-N782 PolarHBondContact O-ND2 3.04Å; Y778-E805 VanDerWaalsContact CE2-OE1 3.29Å; Y778-E805 WeakPolarHBondContact CE2-OE1 3.4Å; Y778-E805 WeakPolarHBondContact OH-CG 3.43Å; Y778-E805 PolarHBondContact OH-OE1 2.91Å; Y778-L809 HydrophobicContact CD1-CD1 3.59Å; Y778-L809 HydrophobicContact CE1-CD1 3.75Å; Y778-L809 HydrophobicContact CG-CD1 4.35Å |
| 779 | W | 95.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 43 Ų | 43 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.4 | -42 | 174.3 | -177.8 | 95 | 0 | 0 | 0 | 110.3 | E750 L753 R754 G776 L781 N782 N783 L784 | E750-W779 HydrophobicContact CB-CH2 4.15Å; E750-W779 HydrophobicContact CB-CZ2 3.78Å; E750-W779 HydrophobicContact CG-CD2 3.99Å; E750-W779 VanDerWaalsContact CG-CE2 3.43Å; E750-W779 HydrophobicContact CG-CG 4.31Å; E750-W779 HydrophobicContact CG-CH2 4.38Å; E750-W779 HydrophobicContact CG-CZ2 3.65Å; E750-W779 PolarHBondContact OE1-NE1 2.85Å; L753-W779 HydrophobicContact CB-CE3 4.46Å; L753-W779 HydrophobicContact CB-CZ3 4.09Å; L753-W779 HydrophobicContact CD1-CD2 4.48Å; L753-W779 HydrophobicContact CD1-CE3 3.73Å; L753-W779 HydrophobicContact CD1-CZ3 4.19Å; R754-W779 HydrophobicContact CG-CH2 4.05Å; G776-W779 WeakPolarHBondContact O-CA 3.24Å; G776-W779 WeakPolarHBondContact O-CB 3.36Å; G776-W779 PolarHBondContact O-N 3.34Å; W779-L781 PolarHBondContact O-N 3.28Å; W779-N782 PolarHBondContact O-N 3.02Å; W779-N783 HydrophobicContact CD2-CB 3.98Å; W779-N783 HydrophobicContact CE3-CB 4.23Å; W779-N783 HydrophobicContact CH2-CB 4.04Å; W779-N783 HydrophobicContact CZ2-CB 3.76Å; W779-N783 HydrophobicContact CZ3-CB 4.26Å; W779-N783 PolarHBondContact NE1-ND2 3.33Å; W779-N783 WeakPolarHBondContact O-CB 3.38Å; W779-N783 PolarHBondContact O-N 3.21Å; W779-N783 PolarHBondContact O-ND2 3.38Å; W779-L784 HydrophobicContact CZ3-CB 4.1Å; W779-L784 HydrophobicContact CZ3-CD2 4.14Å |
| 780 | C | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 174.9 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | G776 R777 N782 N783 L784 A787 I791 W813 | G776-C780 PolarHBondContact O-N 3.09Å; R777-C780 PolarHBondContact O-N 2.9Å; C780-N782 PolarHBondContact O-N 3.34Å; C780-N783 PolarHBondContact O-N 3.2Å; C780-L784 CarbonylContact O-C 3.55Å; C780-L784 VanDerWaalsContact O-CA 3.32Å; C780-L784 WeakPolarHBondContact O-CA 3.13Å; C780-L784 PolarHBondContact O-N 3.35Å; C780-A787 HydrophobicContact CB-CB 3.81Å; C780-I791 HydrophobicContact CB-CD1 3.9Å; C780-W813 HydrophobicContact CB-CH2 4.35Å |
| 781 | L | 94.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -50.1 | -45.1 | 174.6 | 168.6 | 64.2 | 0 | 0 | 0 | 112.2 | R777 W779 L809 Q812 W813 | R777-L781 PolarHBondContact O-N 2.97Å; W779-L781 PolarHBondContact O-N 3.28Å; L781-L809 HydrophobicContact CB-CD1 4.09Å; L781-L809 HydrophobicContact CD2-CD1 3.64Å; L781-L809 HydrophobicContact CD2-CG 4.45Å; L781-L809 HydrophobicContact CG-CD1 4.41Å; L781-Q812 HydrophobicContact CD2-CB 4.03Å; L781-W813 HydrophobicContact CB-CE3 4.21Å; L781-W813 HydrophobicContact CB-CZ3 3.95Å; L781-W813 VanDerWaalsContact CD1-CA 3.47Å; L781-W813 HydrophobicContact CD1-CB 4.17Å; L781-W813 HydrophobicContact CD1-CD2 3.91Å; L781-W813 HydrophobicContact CD1-CE3 3.64Å; L781-W813 HydrophobicContact CD1-CG 4.19Å; L781-W813 HydrophobicContact CD1-CZ3 4.24Å |
| 782 | N | 93.8 | Very high | 93.6 | Very high | 123 Ų | 123 | 36.1 Ų | 36.1 | 66% | 0.658 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -87.3 | -29 | -173.9 | -67.9 | -61.5 | 0 | 0 | 0 | 114.1 | Y778 W779 C780 | Y778-N782 PolarHBondContact O-N 2.93Å; Y778-N782 PolarHBondContact O-ND2 3.04Å; W779-N782 PolarHBondContact O-N 3.02Å; C780-N782 PolarHBondContact O-N 3.34Å |
| 783 | N | 95.3 | Very high | 93 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 43% | 0.433 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -120.7 | -19.4 | -168.2 | -61.7 | -85.5 | 0 | 0 | 0 | 114.1 | W779 C780 | W779-N783 HydrophobicContact CD2-CB 3.98Å; W779-N783 HydrophobicContact CE3-CB 4.23Å; W779-N783 HydrophobicContact CH2-CB 4.04Å; W779-N783 HydrophobicContact CZ2-CB 3.76Å; W779-N783 HydrophobicContact CZ3-CB 4.26Å; W779-N783 PolarHBondContact NE1-ND2 3.33Å; W779-N783 WeakPolarHBondContact O-CB 3.38Å; W779-N783 PolarHBondContact O-N 3.21Å; W779-N783 PolarHBondContact O-ND2 3.38Å; C780-N783 PolarHBondContact O-N 3.2Å |
| 784 | L | 94.7 | Very high | 92.7 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 13% | 0.126 | 17% | 0.174 | C | C | . | . | trans | -147.6 | 64.8 | -173.6 | -159.5 | 61.5 | 0 | 0 | 0 | 111.9 | R754 V757 W779 C780 S786 A787 | R754-L784 HydrophobicContact CG-CD2 4.34Å; V757-L784 HydrophobicContact CB-CD2 3.69Å; V757-L784 HydrophobicContact CB-CG 4.28Å; V757-L784 HydrophobicContact CG1-CD1 4.31Å; V757-L784 HydrophobicContact CG1-CD2 3.97Å; V757-L784 HydrophobicContact CG1-CG 3.99Å; V757-L784 HydrophobicContact CG2-CD2 3.55Å; V757-L784 HydrophobicContact CG2-CG 4.21Å; W779-L784 HydrophobicContact CZ3-CB 4.1Å; W779-L784 HydrophobicContact CZ3-CD2 4.14Å; C780-L784 CarbonylContact O-C 3.55Å; C780-L784 VanDerWaalsContact O-CA 3.32Å; C780-L784 WeakPolarHBondContact O-CA 3.13Å; C780-L784 PolarHBondContact O-N 3.35Å; L784-S786 PolarHBondContact O-N 2.88Å; L784-A787 WeakPolarHBondContact O-CB 3.38Å; L784-A787 PolarHBondContact O-N 2.66Å | ||
| 785 | P | 94 | Very high | 92.4 | Very high | 46 Ų | 46 | 34.1 Ų | 34.1 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -60.8 | -16.7 | -177 | -24.4 | 35.3 | 0 | 0 | 0 | 114.8 | A787 W813 P814 | P785-A787 PolarHBondContact O-N 2.88Å; P785-W813 HydrophobicContact CB-CZ2 4.38Å; P785-W813 WeakPolarHBondContact O-CZ2 3.25Å; P785-W813 PolarHBondContact O-NE1 2.89Å; P785-W813 VanDerWaalsContact O-NE1 3.09Å; P785-P814 HydrophobicContact CB-CG 4.16Å; P785-P814 HydrophobicContact CG-CG 4.03Å |
| 786 | S | 92.3 | Very high | 92.1 | Very high | 44 Ų | 44 | 32 Ų | 32 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -69.2 | -11.2 | 171.7 | 53 | 0 | 0 | 0 | 0 | 113.9 | V757 L784 L788 P789 | V757-S786 WeakPolarHBondContact CG1-OG 3.36Å; L784-S786 PolarHBondContact O-N 2.88Å; S786-L788 PolarHBondContact O-N 3.01Å; S786-P789 WeakPolarHBondContact O-CD 3.3Å |
| 787 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -70.6 | -13.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V757 C780 L784 P785 W790 I791 | V757-A787 HydrophobicContact CG2-CB 3.58Å; C780-A787 HydrophobicContact CB-CB 3.81Å; L784-A787 WeakPolarHBondContact O-CB 3.38Å; L784-A787 PolarHBondContact O-N 2.66Å; P785-A787 PolarHBondContact O-N 2.88Å; A787-W790 WeakPolarHBondContact O-CA 3.28Å; A787-W790 WeakPolarHBondContact O-CB 3.46Å; A787-W790 PolarHBondContact O-N 2.74Å; A787-I791 HydrophobicContact CB-CD1 4.32Å; A787-I791 HydrophobicContact CB-CG1 4.48Å; A787-I791 PolarHBondContact O-N 3.48Å |
| 788 | L | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -51.4 | -49.7 | -171.3 | 177.4 | 56.4 | 0 | 0 | 0 | 114 | S786 W790 I791 C792 I810 W813 F817 I821 L825 | S786-L788 PolarHBondContact O-N 3.01Å; L788-W790 PolarHBondContact O-N 3.08Å; L788-I791 PolarHBondContact O-N 3.49Å; L788-I791 VanDerWaalsContact O-N 3.12Å; L788-C792 PolarHBondContact O-N 3.4Å; L788-C792 PolarHBondContact O-SG 3.02Å; L788-I810 HydrophobicContact CD1-CD1 3.25Å; L788-I810 HydrophobicContact CD2-CD1 4.42Å; L788-I810 HydrophobicContact CG-CD1 4.47Å; L788-W813 HydrophobicContact CB-CD2 4.39Å; L788-W813 HydrophobicContact CB-CH2 4.25Å; L788-W813 HydrophobicContact CB-CZ2 3.55Å; L788-W813 HydrophobicContact CD1-CD2 4.27Å; L788-W813 HydrophobicContact CD1-CE3 4.33Å; L788-W813 HydrophobicContact CD2-CD2 4.38Å; L788-W813 HydrophobicContact CD2-CG 4.28Å; L788-F817 HydrophobicContact CD2-CD1 4.09Å; L788-F817 HydrophobicContact CD2-CD2 4.44Å; L788-F817 HydrophobicContact CD2-CE1 3.67Å; L788-F817 HydrophobicContact CD2-CE2 4.04Å; L788-F817 HydrophobicContact CD2-CG 4.48Å; L788-F817 HydrophobicContact CD2-CZ 3.64Å; L788-I821 HydrophobicContact CB-CG2 4.3Å; L788-I821 HydrophobicContact CD2-CG2 4.08Å; L788-I821 HydrophobicContact CG-CG2 4.45Å; L788-L825 HydrophobicContact CD2-CD1 4.03Å |
| 789 | P | 90.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -33.3 | 179 | -24.4 | 36.3 | 0 | 0 | 0 | 113.1 | S786 Q793 I821 R824 | S786-P789 WeakPolarHBondContact O-CD 3.3Å; P789-Q793 WeakPolarHBondContact O-CG 3.4Å; P789-I821 HydrophobicContact CG-CB 4.44Å; P789-I821 HydrophobicContact CG-CG1 4.44Å; P789-I821 HydrophobicContact CG-CG2 4Å; P789-R824 HydrophobicContact CB-CB 4.22Å; P789-R824 HydrophobicContact CG-CB 4.14Å |
| 790 | W | 90.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.3 | -41.1 | 176.9 | -61.8 | 111 | 0 | 0 | 0 | 111.8 | R759 D760 Y763 L765 L773 A787 L788 C792 Q793 R824 | R759-W790 HydrophobicContact CB-CZ2 4.37Å; D760-W790 VanDerWaalsContact O-CH2 3.25Å; D760-W790 WeakPolarHBondContact O-CH2 3.38Å; D760-W790 WeakPolarHBondContact O-CZ2 3.09Å; Y763-W790 HydrophobicContact CD1-CH2 4.46Å; Y763-W790 WeakPolarHBondContact O-CZ3 3.36Å; L765-W790 HydrophobicContact CD1-CE3 3.87Å; L765-W790 HydrophobicContact CD1-CZ3 4.38Å; L765-W790 HydrophobicContact CD2-CE3 4Å; L765-W790 HydrophobicContact CD2-CZ3 4.15Å; L765-W790 HydrophobicContact CG-CE3 3.97Å; L765-W790 HydrophobicContact CG-CZ3 4.03Å; L773-W790 HydrophobicContact CD1-CB 3.95Å; L773-W790 HydrophobicContact CD2-CB 4Å; A787-W790 WeakPolarHBondContact O-CA 3.28Å; A787-W790 WeakPolarHBondContact O-CB 3.46Å; A787-W790 PolarHBondContact O-N 2.74Å; L788-W790 PolarHBondContact O-N 3.08Å; W790-C792 VanDerWaalsContact C-N 3.3Å; W790-C792 PolarHBondContact O-N 3.28Å; W790-Q793 WeakPolarHBondContact O-CB 3.47Å; W790-Q793 PolarHBondContact O-N 2.61Å; W790-Q793 VanDerWaalsContact O-N 3.14Å; W790-R824 VanDerWaalsContact CE2-NH2 3.33Å |
| 791 | I | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 175 | -64.7 | 175 | 0 | 0 | 0 | 110.2 | R777 C780 A787 L788 Q793 V794 V795 F806 W813 | R777-I791 HydrophobicContact CB-CD1 4.31Å; C780-I791 HydrophobicContact CB-CD1 3.9Å; A787-I791 HydrophobicContact CB-CD1 4.32Å; A787-I791 HydrophobicContact CB-CG1 4.48Å; A787-I791 PolarHBondContact O-N 3.48Å; L788-I791 PolarHBondContact O-N 3.49Å; L788-I791 VanDerWaalsContact O-N 3.12Å; I791-Q793 PolarHBondContact O-N 2.8Å; I791-Q793 VanDerWaalsContact O-N 3.15Å; I791-V794 WeakPolarHBondContact O-CG2 3.49Å; I791-V794 PolarHBondContact O-N 3.13Å; I791-V795 WeakPolarHBondContact O-CG2 3.5Å; I791-V795 PolarHBondContact O-N 3.48Å; I791-F806 HydrophobicContact CG2-CD2 4.32Å; I791-F806 HydrophobicContact CG2-CE2 4Å; I791-W813 HydrophobicContact CD1-CH2 3.45Å; I791-W813 VanDerWaalsContact CD1-CH2 3.45Å; I791-W813 HydrophobicContact CD1-CZ3 3.75Å |
| 792 | C | 89.7 | Confident | 89.8 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -26.1 | 177.7 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | L788 W790 V794 I852 | L788-C792 PolarHBondContact O-N 3.4Å; L788-C792 PolarHBondContact O-SG 3.02Å; W790-C792 VanDerWaalsContact C-N 3.3Å; W790-C792 PolarHBondContact O-N 3.28Å; C792-V794 VanDerWaalsContact C-N 3.3Å; C792-I852 HydrophobicContact CB-CD1 3.36Å; C792-I852 HydrophobicContact CB-CG1 4.07Å |
| 793 | Q | 83.6 | Confident | 89.7 | Confident | 53 Ų | 53 | 28.8 Ų | 28.8 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.3 | -18.2 | 176.4 | -65.4 | -179.9 | 20 | 0 | 0 | 113.3 | L765 P789 W790 I791 A849 | L765-Q793 HydrophobicContact CD1-CB 4.37Å; P789-Q793 WeakPolarHBondContact O-CG 3.4Å; W790-Q793 WeakPolarHBondContact O-CB 3.47Å; W790-Q793 PolarHBondContact O-N 2.61Å; W790-Q793 VanDerWaalsContact O-N 3.14Å; I791-Q793 PolarHBondContact O-N 2.8Å; I791-Q793 VanDerWaalsContact O-N 3.15Å; Q793-A849 HydrophobicContact CG-CB 3.95Å |
| 794 | V | 86.8 | Confident | 89.5 | Confident | 24 Ų | 24 | 25 Ų | 25 | 15% | 0.145 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -108 | -5.1 | -176.7 | -51.2 | 0 | 0 | 0 | 0 | 113.1 | L765 K770 L773 W774 I791 C792 N796 | L765-V794 HydrophobicContact CD1-CG1 4.13Å; K770-V794 HydrophobicContact CB-CB 4.34Å; K770-V794 HydrophobicContact CB-CG1 3.67Å; K770-V794 HydrophobicContact CG-CG1 3.76Å; L773-V794 HydrophobicContact CB-CG1 4.25Å; L773-V794 HydrophobicContact CB-CG2 4.1Å; L773-V794 HydrophobicContact CD1-CG1 4.01Å; W774-V794 HydrophobicContact CB-CG2 4.22Å; W774-V794 HydrophobicContact CE3-CG2 4.06Å; I791-V794 WeakPolarHBondContact O-CG2 3.49Å; I791-V794 PolarHBondContact O-N 3.13Å; C792-V794 VanDerWaalsContact C-N 3.3Å; V794-N796 PolarHBondContact O-N 3.39Å |
| 795 | V | 87.5 | Confident | 89.5 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | trans | -62.5 | 125.6 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 109.5 | W774 I791 W797 F806 | W774-V795 HydrophobicContact CZ3-CG2 4.03Å; I791-V795 WeakPolarHBondContact O-CG2 3.5Å; I791-V795 PolarHBondContact O-N 3.48Å; V795-W797 HydrophobicContact CB-CD2 4.44Å; V795-W797 HydrophobicContact CB-CZ2 4.07Å; V795-W797 HydrophobicContact CG1-CD2 3.94Å; V795-W797 HydrophobicContact CG1-CE3 4.1Å; V795-W797 HydrophobicContact CG1-CG 4.44Å; V795-W797 HydrophobicContact CG1-CH2 4.3Å; V795-W797 HydrophobicContact CG1-CZ2 4.18Å; V795-W797 HydrophobicContact CG1-CZ3 4.27Å; V795-W797 VanDerWaalsContact O-CD1 3.31Å; V795-W797 PolarHBondContact O-N 3.41Å; V795-W797 VanDerWaalsContact O-N 3.08Å; V795-F806 HydrophobicContact CG1-CB 4.49Å; V795-F806 HydrophobicContact CG1-CD1 4.33Å; V795-F806 HydrophobicContact CG1-CG 4.27Å; V795-F806 HydrophobicContact CG2-CB 4.4Å; V795-F806 HydrophobicContact CG2-CD1 4.13Å; V795-F806 HydrophobicContact CG2-CD2 3.38Å; V795-F806 HydrophobicContact CG2-CE1 4.24Å; V795-F806 HydrophobicContact CG2-CE2 3.52Å; V795-F806 HydrophobicContact CG2-CG 3.7Å; V795-F806 HydrophobicContact CG2-CZ 3.95Å | ||
| 796 | N | 86.7 | Confident | 89.5 | Confident | 87 Ų | 87 | 22.9 Ų | 22.9 | 47% | 0.465 | 12% | 0.123 | S | C | . | . | trans | -75.5 | 94.5 | 166.5 | -179.1 | 3.1 | 0 | 0 | 0 | 109.6 | V794 C798 G799 T802 | V794-N796 PolarHBondContact O-N 3.39Å; N796-C798 PolarHBondContact O-N 2.99Å; N796-C798 VanDerWaalsContact O-N 3.14Å; N796-C798 PolarHBondContact OD1-N 3.49Å; N796-G799 PolarHBondContact O-N 3.36Å; N796-G799 PolarHBondContact OD1-N 3.39Å; N796-T802 HydrophobicContact CB-CG2 3.95Å | ||
| 797 | W | 86 | Confident | 89.6 | Confident | 12 Ų | 12 | 20.9 Ų | 20.9 | 5% | 0.045 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.2 | 178.8 | -60.8 | 104 | 0 | 0 | 0 | 114.3 | H515 P550 V795 L803 F806 D854 L857 | H515-W797 AromaticContact CE1-CD2 3.54Å; H515-W797 AromaticContact CE1-CE3 3.61Å; H515-W797 AromaticContact CE1-CG 3.74Å; H515-W797 AromaticContact ND1-CD1 3.9Å; H515-W797 AromaticContact ND1-CD2 3.82Å; H515-W797 AromaticContact ND1-CG 3.52Å; P550-W797 HydrophobicContact CB-CB 4.36Å; V795-W797 HydrophobicContact CB-CD2 4.44Å; V795-W797 HydrophobicContact CB-CZ2 4.07Å; V795-W797 HydrophobicContact CG1-CD2 3.94Å; V795-W797 HydrophobicContact CG1-CE3 4.1Å; V795-W797 HydrophobicContact CG1-CG 4.44Å; V795-W797 HydrophobicContact CG1-CH2 4.3Å; V795-W797 HydrophobicContact CG1-CZ2 4.18Å; V795-W797 HydrophobicContact CG1-CZ3 4.27Å; V795-W797 VanDerWaalsContact O-CD1 3.31Å; V795-W797 PolarHBondContact O-N 3.41Å; V795-W797 VanDerWaalsContact O-N 3.08Å; W797-L803 HydrophobicContact CE3-CD2 3.85Å; W797-L803 HydrophobicContact CZ3-CD2 4Å; W797-L803 WeakPolarHBondContact O-CD1 3.35Å; W797-F806 AromaticContact CH2-CE1 3.95Å; W797-F806 HydrophobicContact CH2-CE1 3.95Å; W797-F806 HydrophobicContact CZ3-CE1 4.38Å; W797-D854 HydrophobicContact CE3-CB 4.41Å; W797-D854 HydrophobicContact CH2-CB 3.77Å; W797-D854 HydrophobicContact CZ3-CB 3.57Å; W797-L857 HydrophobicContact CH2-CD1 3.73Å; W797-L857 HydrophobicContact CZ2-CD1 4.48Å |
| 798 | C | 86 | Confident | 89.6 | Confident | 27 Ų | 27 | 21.2 Ų | 21.2 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -11.7 | 173.1 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | D548 N796 R800 | D548-C798 WeakPolarHBondContact CB-O 3.4Å; D548-C798 WeakPolarHBondContact O-CA 3.43Å; N796-C798 PolarHBondContact O-N 2.99Å; N796-C798 VanDerWaalsContact O-N 3.14Å; N796-C798 PolarHBondContact OD1-N 3.49Å; C798-R800 PolarHBondContact O-N 3.34Å |
| 799 | G | 86.6 | Confident | 89.6 | Confident | 14 Ų | 14 | 21.3 Ų | 21.3 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | trans | -85.4 | 103.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N796 E801 T802 L803 | N796-G799 PolarHBondContact O-N 3.36Å; N796-G799 PolarHBondContact OD1-N 3.39Å; G799-E801 VanDerWaalsContact C-N 3.29Å; G799-E801 PolarHBondContact O-N 3.02Å; G799-T802 CarbonylContact O-C 3.5Å; G799-T802 WeakPolarHBondContact O-CB 3.4Å; G799-T802 PolarHBondContact O-N 3.39Å; G799-T802 VanDerWaalsContact O-N 3.14Å; G799-L803 WeakPolarHBondContact O-CB 3.31Å; G799-L803 PolarHBondContact O-N 2.88Å | ||
| 800 | R | 86.8 | Confident | 89.8 | Confident | 61 Ų | 61 | 21.1 Ų | 21.1 | 23% | 0.23 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.3 | -42.7 | 178.2 | -80.6 | -176.6 | -79.3 | -178.9 | -5.4 | 113.9 | W441 A547 D548 C798 L803 A804 | W441-R800 PolarHBondContact O-NH1 3.35Å; A547-R800 VanDerWaalsContact CB-NH1 3.27Å; A547-R800 WeakPolarHBondContact O-CD 3.18Å; A547-R800 WeakPolarHBondContact O-CG 3.35Å; D548-R800 WeakPolarHBondContact OD1-CD 3.49Å; D548-R800 WeakPolarHBondContact OD1-CG 3.34Å; D548-R800 IonicContact OD1-CZ 3.28Å; D548-R800 IonicContact OD1-NE 3.8Å; D548-R800 PolarHBondContact OD1-NE 2.88Å; D548-R800 IonicContact OD1-NH2 2.96Å; D548-R800 PolarHBondContact OD1-NH2 2.8Å; C798-R800 PolarHBondContact O-N 3.34Å; R800-L803 PolarHBondContact O-N 3.39Å; R800-A804 VanDerWaalsContact O-CB 3.32Å; R800-A804 WeakPolarHBondContact O-CB 3.4Å; R800-A804 PolarHBondContact O-N 3.47Å |
| 801 | E | 87 | Confident | 89.8 | Confident | 87 Ų | 87 | 26.4 Ų | 26.4 | 41% | 0.407 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66 | -45.2 | 178.8 | -50.4 | -161.2 | 176.2 | 0 | 0 | 110.9 | F659 H660 G799 L803 A804 E805 | F659-E801 HydrophobicContact CB-CG 3.67Å; F659-E801 HydrophobicContact CG-CG 4.14Å; H660-E801 IonicContact CE1-OE2 2.79Å; H660-E801 IonicContact ND1-OE2 3.84Å; G799-E801 VanDerWaalsContact C-N 3.29Å; G799-E801 PolarHBondContact O-N 3.02Å; E801-L803 VanDerWaalsContact C-N 3.35Å; E801-L803 PolarHBondContact O-N 3.35Å; E801-A804 PolarHBondContact O-N 3.3Å; E801-E805 WeakPolarHBondContact O-CB 3.5Å; E801-E805 PolarHBondContact O-N 3.29Å |
| 802 | T | 89.8 | Confident | 89.9 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 18% | 0.184 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | W774 N796 G799 F806 | W774-T802 HydrophobicContact CH2-CG2 3.49Å; W774-T802 VanDerWaalsContact CH2-CG2 3.49Å; W774-T802 HydrophobicContact CZ2-CG2 3.5Å; W774-T802 VanDerWaalsContact CZ2-CG2 3.5Å; W774-T802 HydrophobicContact CZ3-CG2 4.27Å; N796-T802 HydrophobicContact CB-CG2 3.95Å; G799-T802 CarbonylContact O-C 3.5Å; G799-T802 WeakPolarHBondContact O-CB 3.4Å; G799-T802 PolarHBondContact O-N 3.39Å; G799-T802 VanDerWaalsContact O-N 3.14Å; T802-F806 VanDerWaalsContact O-CB 3.22Å; T802-F806 WeakPolarHBondContact O-CB 3.45Å; T802-F806 PolarHBondContact O-N 3.19Å |
| 803 | L | 90.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.2 | -95 | 164.5 | 0 | 0 | 0 | 112.2 | F650 W797 G799 R800 E801 E805 F806 Y807 | F650-L803 HydrophobicContact CD1-CB 3.94Å; F650-L803 HydrophobicContact CE1-CB 3.67Å; F650-L803 HydrophobicContact CE1-CD1 4.29Å; W797-L803 HydrophobicContact CE3-CD2 3.85Å; W797-L803 HydrophobicContact CZ3-CD2 4Å; W797-L803 WeakPolarHBondContact O-CD1 3.35Å; G799-L803 WeakPolarHBondContact O-CB 3.31Å; G799-L803 PolarHBondContact O-N 2.88Å; R800-L803 PolarHBondContact O-N 3.39Å; E801-L803 VanDerWaalsContact C-N 3.35Å; E801-L803 PolarHBondContact O-N 3.35Å; L803-E805 VanDerWaalsContact C-N 3.33Å; L803-F806 PolarHBondContact O-N 3.47Å; L803-Y807 HydrophobicContact CD2-CD2 4.35Å; L803-Y807 HydrophobicContact CD2-CE1 4.29Å; L803-Y807 HydrophobicContact CD2-CE2 3.73Å; L803-Y807 WeakPolarHBondContact O-CB 3.43Å; L803-Y807 VanDerWaalsContact O-CD2 3.31Å; L803-Y807 WeakPolarHBondContact O-CD2 3.36Å; L803-Y807 PolarHBondContact O-N 3.3Å |
| 804 | A | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F650 F659 R800 E801 T808 | F650-A804 HydrophobicContact CB-CB 4.34Å; F650-A804 HydrophobicContact CD1-CB 4.02Å; F650-A804 WeakPolarHBondContact O-CB 3.48Å; F659-A804 HydrophobicContact CD2-CB 4.23Å; F659-A804 HydrophobicContact CE2-CB 3.92Å; R800-A804 VanDerWaalsContact O-CB 3.32Å; R800-A804 WeakPolarHBondContact O-CB 3.4Å; R800-A804 PolarHBondContact O-N 3.47Å; E801-A804 PolarHBondContact O-N 3.3Å; A804-T808 PolarHBondContact O-N 3.47Å; A804-T808 PolarHBondContact O-OG1 3.06Å |
| 805 | E | 94.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 171.9 | -176.3 | 175.5 | -167.5 | 0 | 0 | 111.8 | Y654 R777 Y778 E801 L803 T808 L809 | Y654-E805 VanDerWaalsContact CD2-CA 3.49Å; Y654-E805 HydrophobicContact CD2-CB 3.8Å; Y654-E805 HydrophobicContact CD2-CG 4.4Å; Y654-E805 HydrophobicContact CE2-CB 3.48Å; Y654-E805 VanDerWaalsContact CE2-CB 3.48Å; Y654-E805 HydrophobicContact CE2-CG 3.63Å; R777-E805 IonicContact CZ-OE1 3.61Å; R777-E805 IonicContact CZ-OE2 3.47Å; R777-E805 IonicContact NE-OE1 3.79Å; R777-E805 PolarHBondContact NE-OE1 3.41Å; R777-E805 IonicContact NE-OE2 2.66Å; R777-E805 VanDerWaalsContact NH2-CD 3.34Å; R777-E805 IonicContact NH2-OE1 2.82Å; R777-E805 PolarHBondContact NH2-OE1 2.94Å; R777-E805 IonicContact NH2-OE2 2.9Å; R777-E805 PolarHBondContact NH2-OE2 2.81Å; Y778-E805 VanDerWaalsContact CE2-OE1 3.29Å; Y778-E805 WeakPolarHBondContact CE2-OE1 3.4Å; Y778-E805 WeakPolarHBondContact OH-CG 3.43Å; Y778-E805 PolarHBondContact OH-OE1 2.91Å; E801-E805 WeakPolarHBondContact O-CB 3.5Å; E801-E805 PolarHBondContact O-N 3.29Å; L803-E805 VanDerWaalsContact C-N 3.33Å; E805-T808 WeakPolarHBondContact O-CB 3.31Å; E805-T808 PolarHBondContact O-N 2.85Å; E805-L809 PolarHBondContact O-N 3.32Å |
| 806 | F | 94.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -48.3 | -178.5 | 177.3 | -106.5 | 0 | 0 | 0 | 112.1 | W774 I791 V795 W797 T802 L803 T808 L809 I810 L857 | W774-F806 HydrophobicContact CH2-CB 4.43Å; I791-F806 HydrophobicContact CG2-CD2 4.32Å; I791-F806 HydrophobicContact CG2-CE2 4Å; V795-F806 HydrophobicContact CG1-CB 4.49Å; V795-F806 HydrophobicContact CG1-CD1 4.33Å; V795-F806 HydrophobicContact CG1-CG 4.27Å; V795-F806 HydrophobicContact CG2-CB 4.4Å; V795-F806 HydrophobicContact CG2-CD1 4.13Å; V795-F806 HydrophobicContact CG2-CD2 3.38Å; V795-F806 HydrophobicContact CG2-CE1 4.24Å; V795-F806 HydrophobicContact CG2-CE2 3.52Å; V795-F806 HydrophobicContact CG2-CG 3.7Å; V795-F806 HydrophobicContact CG2-CZ 3.95Å; W797-F806 AromaticContact CH2-CE1 3.95Å; W797-F806 HydrophobicContact CH2-CE1 3.95Å; W797-F806 HydrophobicContact CZ3-CE1 4.38Å; T802-F806 VanDerWaalsContact O-CB 3.22Å; T802-F806 WeakPolarHBondContact O-CB 3.45Å; T802-F806 PolarHBondContact O-N 3.19Å; L803-F806 PolarHBondContact O-N 3.47Å; F806-T808 PolarHBondContact O-N 2.91Å; F806-L809 WeakPolarHBondContact O-CA 3.21Å; F806-L809 WeakPolarHBondContact O-CB 3.35Å; F806-L809 PolarHBondContact O-N 2.86Å; F806-I810 HydrophobicContact CD1-CG1 4.07Å; F806-I810 HydrophobicContact CD2-CD1 4.46Å; F806-I810 HydrophobicContact CD2-CG1 4.14Å; F806-I810 HydrophobicContact CE1-CD1 4.22Å; F806-I810 HydrophobicContact CE1-CG1 3.62Å; F806-I810 HydrophobicContact CE2-CD1 3.65Å; F806-I810 HydrophobicContact CE2-CG1 3.7Å; F806-I810 HydrophobicContact CG-CG1 4.32Å; F806-I810 HydrophobicContact CZ-CD1 3.51Å; F806-I810 HydrophobicContact CZ-CG1 3.43Å; F806-I810 VanDerWaalsContact CZ-CG1 3.43Å; F806-I810 VanDerWaalsContact O-CG1 3.31Å; F806-I810 WeakPolarHBondContact O-CG1 3.26Å; F806-I810 PolarHBondContact O-N 3.04Å; F806-L857 HydrophobicContact CE1-CD1 3.78Å; F806-L857 HydrophobicContact CE1-CD2 4.23Å; F806-L857 HydrophobicContact CE1-CG 4.17Å; F806-L857 HydrophobicContact CZ-CD1 3.83Å; F806-L857 HydrophobicContact CZ-CD2 4.15Å; F806-L857 HydrophobicContact CZ-CG 4.42Å |
| 807 | Y | 93.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -33.6 | 176.9 | -70.7 | -40.9 | 0 | 0 | 0 | 112.4 | R644 V647 F650 L803 I810 H811 D854 Y856 | R644-Y807 PolarHBondContact NH2-OH 3.07Å; V647-Y807 HydrophobicContact CG1-CD1 4.29Å; V647-Y807 HydrophobicContact CG1-CD2 4.27Å; V647-Y807 HydrophobicContact CG1-CG 3.99Å; V647-Y807 HydrophobicContact CG2-CE2 4.44Å; F650-Y807 HydrophobicContact CB-CD2 3.65Å; F650-Y807 HydrophobicContact CB-CE2 4.35Å; F650-Y807 HydrophobicContact CD1-CD2 4.1Å; F650-Y807 HydrophobicContact CD1-CE2 4.24Å; F650-Y807 HydrophobicContact CD2-CD2 4.15Å; F650-Y807 AromaticContact CD2-CE2 3.98Å; F650-Y807 HydrophobicContact CD2-CE2 3.98Å; F650-Y807 HydrophobicContact CE2-CE2 4.31Å; F650-Y807 AromaticContact CG-CD2 3.73Å; F650-Y807 HydrophobicContact CG-CD2 3.73Å; F650-Y807 AromaticContact CG-CE2 3.96Å; F650-Y807 HydrophobicContact CG-CE2 3.96Å; L803-Y807 HydrophobicContact CD2-CD2 4.35Å; L803-Y807 HydrophobicContact CD2-CE1 4.29Å; L803-Y807 HydrophobicContact CD2-CE2 3.73Å; L803-Y807 WeakPolarHBondContact O-CB 3.43Å; L803-Y807 VanDerWaalsContact O-CD2 3.31Å; L803-Y807 WeakPolarHBondContact O-CD2 3.36Å; L803-Y807 PolarHBondContact O-N 3.3Å; Y807-I810 PolarHBondContact O-N 2.86Å; Y807-H811 WeakPolarHBondContact O-CB 3.42Å; Y807-H811 PolarHBondContact O-N 2.71Å; Y807-D854 PolarHBondContact OH-OD2 3.4Å; Y807-Y856 HydrophobicContact CD1-CD1 4.09Å; Y807-Y856 HydrophobicContact CE1-CD1 4.2Å |
| 808 | T | 94.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 172.8 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | Y654 A804 E805 F806 H811 Q812 | Y654-T808 HydrophobicContact CD1-CG2 3.81Å; Y654-T808 HydrophobicContact CE1-CG2 4.11Å; A804-T808 PolarHBondContact O-N 3.47Å; A804-T808 PolarHBondContact O-OG1 3.06Å; E805-T808 WeakPolarHBondContact O-CB 3.31Å; E805-T808 PolarHBondContact O-N 2.85Å; F806-T808 PolarHBondContact O-N 2.91Å; T808-H811 PolarHBondContact O-N 2.73Å; T808-Q812 PolarHBondContact O-N 2.81Å |
| 809 | L | 94.4 | Very high | 92 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.5 | -170.4 | 78.4 | 0 | 0 | 0 | 111.5 | R777 Y778 L781 E805 F806 H811 Q812 W813 | R777-L809 HydrophobicContact CB-CD2 3.93Å; R777-L809 HydrophobicContact CG-CD2 4.3Å; Y778-L809 HydrophobicContact CD1-CD1 3.59Å; Y778-L809 HydrophobicContact CE1-CD1 3.75Å; Y778-L809 HydrophobicContact CG-CD1 4.35Å; L781-L809 HydrophobicContact CB-CD1 4.09Å; L781-L809 HydrophobicContact CD2-CD1 3.64Å; L781-L809 HydrophobicContact CD2-CG 4.45Å; L781-L809 HydrophobicContact CG-CD1 4.41Å; E805-L809 PolarHBondContact O-N 3.32Å; F806-L809 WeakPolarHBondContact O-CA 3.21Å; F806-L809 WeakPolarHBondContact O-CB 3.35Å; F806-L809 PolarHBondContact O-N 2.86Å; L809-H811 VanDerWaalsContact C-N 3.34Å; L809-H811 PolarHBondContact O-N 3.18Å; L809-Q812 CarbonylContact O-C 3.58Å; L809-Q812 PolarHBondContact O-N 3.46Å; L809-Q812 VanDerWaalsContact O-N 3.12Å; L809-W813 HydrophobicContact CD2-CE3 4.44Å; L809-W813 HydrophobicContact CD2-CZ3 4.04Å; L809-W813 HydrophobicContact CG-CE3 4.3Å; L809-W813 HydrophobicContact CG-CZ3 4.31Å; L809-W813 PolarHBondContact O-N 3.01Å; L809-W813 VanDerWaalsContact O-N 3.1Å |
| 810 | I | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 178.7 | -67.8 | -58.3 | 0 | 0 | 0 | 112 | L788 F806 Y807 Q812 W813 Y856 L857 L860 | L788-I810 HydrophobicContact CD1-CD1 3.25Å; L788-I810 HydrophobicContact CD2-CD1 4.42Å; L788-I810 HydrophobicContact CG-CD1 4.47Å; F806-I810 HydrophobicContact CD1-CG1 4.07Å; F806-I810 HydrophobicContact CD2-CD1 4.46Å; F806-I810 HydrophobicContact CD2-CG1 4.14Å; F806-I810 HydrophobicContact CE1-CD1 4.22Å; F806-I810 HydrophobicContact CE1-CG1 3.62Å; F806-I810 HydrophobicContact CE2-CD1 3.65Å; F806-I810 HydrophobicContact CE2-CG1 3.7Å; F806-I810 HydrophobicContact CG-CG1 4.32Å; F806-I810 HydrophobicContact CZ-CD1 3.51Å; F806-I810 HydrophobicContact CZ-CG1 3.43Å; F806-I810 VanDerWaalsContact CZ-CG1 3.43Å; F806-I810 VanDerWaalsContact O-CG1 3.31Å; F806-I810 WeakPolarHBondContact O-CG1 3.26Å; F806-I810 PolarHBondContact O-N 3.04Å; Y807-I810 PolarHBondContact O-N 2.86Å; I810-Q812 PolarHBondContact O-N 2.84Å; I810-W813 WeakPolarHBondContact O-CB 3.42Å; I810-W813 PolarHBondContact O-N 3.44Å; I810-Y856 HydrophobicContact CG2-CE1 4.26Å; I810-L857 HydrophobicContact CD1-CD2 3.9Å; I810-L857 HydrophobicContact CG1-CD2 3.98Å; I810-L857 HydrophobicContact CG2-CD2 3.92Å; I810-L860 HydrophobicContact CG2-CD1 3.47Å; I810-L860 VanDerWaalsContact CG2-CD1 3.47Å |
| 811 | H | 90.8 | Very high | 92.4 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 52% | 0.519 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -24.7 | 175.6 | -162 | 69.9 | 0 | 0 | 0 | 112.7 | I651 Y807 T808 L809 | I651-H811 HydrophobicContact CD1-CB 4.16Å; Y807-H811 WeakPolarHBondContact O-CB 3.42Å; Y807-H811 PolarHBondContact O-N 2.71Å; T808-H811 PolarHBondContact O-N 2.73Å; L809-H811 VanDerWaalsContact C-N 3.34Å; L809-H811 PolarHBondContact O-N 3.18Å |
| 812 | Q | 93.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 35.7 Ų | 35.7 | 52% | 0.523 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -94.2 | -9.6 | 175.9 | -62.8 | 174.9 | 12.4 | 0 | 0 | 113.2 | L781 T808 L809 I810 | L781-Q812 HydrophobicContact CD2-CB 4.03Å; T808-Q812 PolarHBondContact O-N 2.81Å; L809-Q812 CarbonylContact O-C 3.58Å; L809-Q812 PolarHBondContact O-N 3.46Å; L809-Q812 VanDerWaalsContact O-N 3.12Å; I810-Q812 PolarHBondContact O-N 2.84Å |
| 813 | W | 94.9 | Very high | 93 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 2% | 0.023 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -64.3 | 140.5 | -178.2 | -151.3 | -83.5 | 0 | 0 | 0 | 111.1 | C780 L781 P785 L788 I791 L809 I810 Q815 F817 | C780-W813 HydrophobicContact CB-CH2 4.35Å; L781-W813 HydrophobicContact CB-CE3 4.21Å; L781-W813 HydrophobicContact CB-CZ3 3.95Å; L781-W813 VanDerWaalsContact CD1-CA 3.47Å; L781-W813 HydrophobicContact CD1-CB 4.17Å; L781-W813 HydrophobicContact CD1-CD2 3.91Å; L781-W813 HydrophobicContact CD1-CE3 3.64Å; L781-W813 HydrophobicContact CD1-CG 4.19Å; L781-W813 HydrophobicContact CD1-CZ3 4.24Å; P785-W813 HydrophobicContact CB-CZ2 4.38Å; P785-W813 WeakPolarHBondContact O-CZ2 3.25Å; P785-W813 PolarHBondContact O-NE1 2.89Å; P785-W813 VanDerWaalsContact O-NE1 3.09Å; L788-W813 HydrophobicContact CB-CD2 4.39Å; L788-W813 HydrophobicContact CB-CH2 4.25Å; L788-W813 HydrophobicContact CB-CZ2 3.55Å; L788-W813 HydrophobicContact CD1-CD2 4.27Å; L788-W813 HydrophobicContact CD1-CE3 4.33Å; L788-W813 HydrophobicContact CD2-CD2 4.38Å; L788-W813 HydrophobicContact CD2-CG 4.28Å; I791-W813 HydrophobicContact CD1-CH2 3.45Å; I791-W813 VanDerWaalsContact CD1-CH2 3.45Å; I791-W813 HydrophobicContact CD1-CZ3 3.75Å; L809-W813 HydrophobicContact CD2-CE3 4.44Å; L809-W813 HydrophobicContact CD2-CZ3 4.04Å; L809-W813 HydrophobicContact CG-CE3 4.3Å; L809-W813 HydrophobicContact CG-CZ3 4.31Å; L809-W813 PolarHBondContact O-N 3.01Å; L809-W813 VanDerWaalsContact O-N 3.1Å; I810-W813 WeakPolarHBondContact O-CB 3.42Å; I810-W813 PolarHBondContact O-N 3.44Å; W813-Q815 PolarHBondContact O-N 2.94Å; W813-F817 HydrophobicContact CB-CE1 4.3Å; W813-F817 AromaticContact CD1-CE1 3.75Å; W813-F817 HydrophobicContact CG-CE1 4.26Å |
| 814 | P | 94.2 | Very high | 93 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | trans | -53.3 | 125.6 | 175.4 | -28.3 | 34.9 | 0 | 0 | 0 | 111.9 | P785 F817 | P785-P814 HydrophobicContact CB-CG 4.16Å; P785-P814 HydrophobicContact CG-CG 4.03Å; P814-F817 WeakPolarHBondContact O-CD1 3.37Å | ||
| 815 | Q | 90.2 | Very high | 93 | Very high | 94 Ų | 94 | 34.9 Ų | 34.9 | 44% | 0.439 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -126.6 | 146.1 | 177.3 | -71.1 | 178.9 | 42 | 0 | 0 | 110.2 | W813 F817 | W813-Q815 PolarHBondContact O-N 2.94Å; Q815-F817 HydrophobicContact CG-CD1 4.32Å; Q815-F817 HydrophobicContact CG-CE1 3.87Å; Q815-F817 HydrophobicContact CG-CZ 4.43Å |
| 816 | P | 93.7 | Very high | 92.9 | Very high | 75 Ų | 75 | 33.7 Ų | 33.7 | 49% | 0.487 | 18% | 0.176 | S | C | . | . | S | Bend | cis | -67.1 | 154.1 | -3.3 | 29.9 | -35.5 | 0 | 0 | 0 | 112.5 | ||
| 817 | F | 93.2 | Very high | 92.4 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 150.8 | 173 | -56.4 | -34.5 | 0 | 0 | 0 | 110.5 | L788 W813 P814 Q815 I821 L825 L860 S864 | L788-F817 HydrophobicContact CD2-CD1 4.09Å; L788-F817 HydrophobicContact CD2-CD2 4.44Å; L788-F817 HydrophobicContact CD2-CE1 3.67Å; L788-F817 HydrophobicContact CD2-CE2 4.04Å; L788-F817 HydrophobicContact CD2-CG 4.48Å; L788-F817 HydrophobicContact CD2-CZ 3.64Å; W813-F817 HydrophobicContact CB-CE1 4.3Å; W813-F817 AromaticContact CD1-CE1 3.75Å; W813-F817 HydrophobicContact CG-CE1 4.26Å; P814-F817 WeakPolarHBondContact O-CD1 3.37Å; Q815-F817 HydrophobicContact CG-CD1 4.32Å; Q815-F817 HydrophobicContact CG-CE1 3.87Å; Q815-F817 HydrophobicContact CG-CZ 4.43Å; F817-I821 HydrophobicContact CB-CB 4.24Å; F817-I821 HydrophobicContact CB-CG2 4.06Å; F817-I821 HydrophobicContact CD2-CG2 4.48Å; F817-I821 HydrophobicContact CG-CG2 4.24Å; F817-L825 HydrophobicContact CD2-CD1 3.73Å; F817-L825 HydrophobicContact CE2-CD1 3.68Å; F817-L860 HydrophobicContact CE2-CB 3.67Å; F817-L860 HydrophobicContact CZ-CB 4.03Å; F817-L860 HydrophobicContact CZ-CD1 4.26Å; F817-S864 WeakPolarHBondContact CB-OG 3.24Å; F817-S864 PolarHBondContact N-OG 3.25Å; F817-S864 WeakPolarHBondContact O-CB 3.19Å |
| 818 | N | 92.4 | Very high | 90.8 | Very high | 105 Ų | 105 | 34.4 Ų | 34.4 | 56% | 0.561 | 18% | 0.183 | S | C | * | . | P | Polyproline II helix | trans | -59.4 | 149.9 | 166.3 | -70.1 | -31.1 | 0 | 0 | 0 | 110.1 | D820 I821 A822 | N818-D820 VanDerWaalsContact C-N 3.27Å; N818-D820 WeakPolarHBondContact CB-OD1 3.49Å; N818-D820 PolarHBondContact O-N 3.36Å; N818-I821 HydrophobicContact CB-CD1 4.16Å; N818-I821 HydrophobicContact CB-CG1 4.37Å; N818-I821 WeakPolarHBondContact O-CB 3.32Å; N818-I821 PolarHBondContact O-N 3.23Å; N818-I821 VanDerWaalsContact O-N 3.09Å; N818-A822 PolarHBondContact O-N 3.35Å |
| 819 | V | 92.7 | Very high | 89.2 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -38.6 | -174.9 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | A822 L823 L865 L868 Y876 | V819-A822 PolarHBondContact O-N 3.21Å; V819-L823 HydrophobicContact CG1-CD1 3.93Å; V819-L823 HydrophobicContact CG1-CG 4.22Å; V819-L823 WeakPolarHBondContact O-CB 3.44Å; V819-L823 VanDerWaalsContact O-CG 3.26Å; V819-L823 WeakPolarHBondContact O-CG 3.37Å; V819-L823 PolarHBondContact O-N 3.31Å; V819-L865 HydrophobicContact CG1-CD2 4.45Å; V819-L868 HydrophobicContact CG1-CD1 4.45Å; V819-L868 HydrophobicContact CG1-CD2 4.16Å; V819-L868 HydrophobicContact CG2-CD2 3.57Å; V819-L868 HydrophobicContact CG2-CG 4.33Å; V819-Y876 HydrophobicContact CG1-CD2 4.34Å; V819-Y876 HydrophobicContact CG1-CE2 3.75Å |
| 820 | D | 89.1 | Confident | 87.2 | Confident | 59 Ų | 59 | 37 Ų | 37 | 32% | 0.316 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.5 | -44 | 176.4 | 67.3 | -38.3 | 0 | 0 | 0 | 112.1 | N818 R824 | N818-D820 VanDerWaalsContact C-N 3.27Å; N818-D820 WeakPolarHBondContact CB-OD1 3.49Å; N818-D820 PolarHBondContact O-N 3.36Å; D820-R824 WeakPolarHBondContact O-CB 3.41Å; D820-R824 VanDerWaalsContact O-CG 3.28Å; D820-R824 WeakPolarHBondContact O-CG 3.14Å; D820-R824 PolarHBondContact O-N 3.24Å |
| 821 | I | 92.2 | Very high | 85.1 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -50.7 | 174.5 | -62.3 | 171.3 | 0 | 0 | 0 | 109.2 | L788 P789 F817 N818 L823 R824 L825 | L788-I821 HydrophobicContact CB-CG2 4.3Å; L788-I821 HydrophobicContact CD2-CG2 4.08Å; L788-I821 HydrophobicContact CG-CG2 4.45Å; P789-I821 HydrophobicContact CG-CB 4.44Å; P789-I821 HydrophobicContact CG-CG1 4.44Å; P789-I821 HydrophobicContact CG-CG2 4Å; F817-I821 HydrophobicContact CB-CB 4.24Å; F817-I821 HydrophobicContact CB-CG2 4.06Å; F817-I821 HydrophobicContact CD2-CG2 4.48Å; F817-I821 HydrophobicContact CG-CG2 4.24Å; N818-I821 HydrophobicContact CB-CD1 4.16Å; N818-I821 HydrophobicContact CB-CG1 4.37Å; N818-I821 WeakPolarHBondContact O-CB 3.32Å; N818-I821 PolarHBondContact O-N 3.23Å; N818-I821 VanDerWaalsContact O-N 3.09Å; I821-L823 PolarHBondContact O-N 3.03Å; I821-R824 PolarHBondContact O-N 2.95Å; I821-R824 VanDerWaalsContact O-N 3.17Å; I821-L825 HydrophobicContact CG2-CD1 3.93Å; I821-L825 HydrophobicContact CG2-CG 4.2Å; I821-L825 VanDerWaalsContact O-CG 3.28Å; I821-L825 WeakPolarHBondContact O-CG 3.44Å; I821-L825 PolarHBondContact O-N 3.25Å |
| 822 | A | 94.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N818 V819 R824 L825 L826 A861 L865 | N818-A822 PolarHBondContact O-N 3.35Å; V819-A822 PolarHBondContact O-N 3.21Å; A822-R824 PolarHBondContact O-N 3.25Å; A822-L825 PolarHBondContact O-N 3.29Å; A822-L826 WeakPolarHBondContact O-CG 3.44Å; A822-L826 PolarHBondContact O-N 3.03Å; A822-A861 HydrophobicContact CB-CB 4.27Å; A822-L865 HydrophobicContact CB-CD2 3.73Å; A822-L865 HydrophobicContact CB-CG 4.36Å |
| 823 | L | 94.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 176.7 | -69.8 | 175.1 | 0 | 0 | 0 | 112.1 | V819 I821 L825 L826 G827 Y876 L880 L1272 T1275 L1276 M1279 | V819-L823 HydrophobicContact CG1-CD1 3.93Å; V819-L823 HydrophobicContact CG1-CG 4.22Å; V819-L823 WeakPolarHBondContact O-CB 3.44Å; V819-L823 VanDerWaalsContact O-CG 3.26Å; V819-L823 WeakPolarHBondContact O-CG 3.37Å; V819-L823 PolarHBondContact O-N 3.31Å; I821-L823 PolarHBondContact O-N 3.03Å; L823-L825 VanDerWaalsContact C-N 3.33Å; L823-L825 PolarHBondContact O-N 2.81Å; L823-L826 PolarHBondContact O-N 3.4Å; L823-G827 PolarHBondContact O-N 3.33Å; L823-Y876 HydrophobicContact CD1-CD1 4.29Å; L823-Y876 HydrophobicContact CD1-CD2 4.21Å; L823-Y876 HydrophobicContact CD1-CE2 4.44Å; L823-Y876 HydrophobicContact CD1-CG 4.14Å; L823-L880 HydrophobicContact CD2-CD2 3.9Å; L823-L1272 HydrophobicContact CD1-CD1 4.01Å; L823-T1275 HydrophobicContact CB-CG2 4.06Å; L823-L1276 HydrophobicContact CD1-CD2 4.12Å; L823-M1279 HydrophobicContact CB-SD 4Å; L823-M1279 HydrophobicContact CD2-CE 4.23Å; L823-M1279 HydrophobicContact CD2-SD 4.17Å |
| 824 | R | 91 | Very high | 77.8 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 174.9 | -73.8 | 176.7 | 71.2 | -176.4 | 5.8 | 112.4 | P789 W790 D820 I821 A822 L826 G827 T1275 | P789-R824 HydrophobicContact CB-CB 4.22Å; P789-R824 HydrophobicContact CG-CB 4.14Å; W790-R824 VanDerWaalsContact CE2-NH2 3.33Å; D820-R824 WeakPolarHBondContact O-CB 3.41Å; D820-R824 VanDerWaalsContact O-CG 3.28Å; D820-R824 WeakPolarHBondContact O-CG 3.14Å; D820-R824 PolarHBondContact O-N 3.24Å; I821-R824 PolarHBondContact O-N 2.95Å; I821-R824 VanDerWaalsContact O-N 3.17Å; A822-R824 PolarHBondContact O-N 3.25Å; R824-L826 VanDerWaalsContact C-N 3.32Å; R824-G827 PolarHBondContact O-N 3.16Å; R824-T1275 HydrophobicContact CG-CG2 3.67Å; R824-T1275 WeakPolarHBondContact CG-OG1 3.3Å |
| 825 | L | 91.9 | Very high | 74.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.2 | -30.8 | 177.7 | -64.8 | 178.1 | 0 | 0 | 0 | 112.5 | L788 F817 I821 A822 L823 I852 R858 A861 | L788-L825 HydrophobicContact CD2-CD1 4.03Å; F817-L825 HydrophobicContact CD2-CD1 3.73Å; F817-L825 HydrophobicContact CE2-CD1 3.68Å; I821-L825 HydrophobicContact CG2-CD1 3.93Å; I821-L825 HydrophobicContact CG2-CG 4.2Å; I821-L825 VanDerWaalsContact O-CG 3.28Å; I821-L825 WeakPolarHBondContact O-CG 3.44Å; I821-L825 PolarHBondContact O-N 3.25Å; A822-L825 PolarHBondContact O-N 3.29Å; L823-L825 VanDerWaalsContact C-N 3.33Å; L823-L825 PolarHBondContact O-N 2.81Å; L825-I852 HydrophobicContact CD2-CD1 3.23Å; L825-I852 HydrophobicContact CG-CD1 4.42Å; L825-R858 PolarHBondContact O-NH1 3.37Å; L825-A861 HydrophobicContact CB-CB 3.84Å; L825-A861 HydrophobicContact CD1-CB 4.13Å |
| 826 | L | 92.1 | Very high | 72.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -82.2 | -23.8 | 175.8 | -66.7 | 173.8 | 0 | 0 | 0 | 113.2 | A822 L823 R824 R858 A861 V862 L865 L880 A883 L894 M1279 | A822-L826 WeakPolarHBondContact O-CG 3.44Å; A822-L826 PolarHBondContact O-N 3.03Å; L823-L826 PolarHBondContact O-N 3.4Å; R824-L826 VanDerWaalsContact C-N 3.32Å; L826-R858 HydrophobicContact CD2-CB 4.18Å; L826-R858 PolarHBondContact O-NH1 3.01Å; L826-R858 PolarHBondContact O-NH2 3.41Å; L826-A861 HydrophobicContact CD1-CB 4.47Å; L826-A861 HydrophobicContact CD2-CB 4.06Å; L826-A861 HydrophobicContact CG-CB 3.92Å; L826-V862 HydrophobicContact CD1-CG2 4.28Å; L826-V862 HydrophobicContact CD2-CG2 3.87Å; L826-L865 HydrophobicContact CD1-CD1 3.68Å; L826-L880 HydrophobicContact CD1-CD2 3.94Å; L826-A883 HydrophobicContact CB-CB 4.46Å; L826-L894 HydrophobicContact CD1-CD1 4.31Å; L826-M1279 HydrophobicContact CB-CE 4.38Å |
| 827 | G | 82.6 | Confident | 69.1 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -59.4 | 143.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L823 R824 G851 | L823-G827 PolarHBondContact O-N 3.33Å; R824-G827 PolarHBondContact O-N 3.16Å; G827-G851 WeakPolarHBondContact O-CA 3.5Å | ||
| 828 | A | 61.1 | Low | 66.2 | Low | 17 Ų | 17 | 49.5 Ų | 49.5 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | trans | -121.3 | 49 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A886 P1282 | A828-A886 HydrophobicContact CB-CB 3.36Å; A828-P1282 HydrophobicContact CB-CG 4.43Å | ||
| 829 | F | 60 | Low | 63.1 | Low | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | trans | -95.7 | 122.3 | -178.1 | 45.9 | -90.9 | 0 | 0 | 0 | 110.4 | L831 G851 A1278 L1281 | F829-L831 HydrophobicContact CD2-CD2 3.93Å; F829-L831 HydrophobicContact CD2-CG 4.38Å; F829-L831 HydrophobicContact CE2-CD2 4.43Å; F829-G851 PolarHBondContact O-N 2.99Å; F829-A1278 HydrophobicContact CB-CB 4.07Å; F829-A1278 HydrophobicContact CD1-CB 3.58Å; F829-A1278 HydrophobicContact CD2-CB 4.4Å; F829-A1278 HydrophobicContact CE1-CB 4.04Å; F829-A1278 HydrophobicContact CG-CB 3.78Å; F829-L1281 HydrophobicContact CB-CD1 3.74Å | ||
| 830 | D | 53.1 | Low | 60 | Low | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | trans | -88.9 | 106.5 | 174.9 | -169.9 | -12.1 | 0 | 0 | 0 | 109.4 | T832 A849 | D830-T832 PolarHBondContact O-N 2.9Å; D830-T832 VanDerWaalsContact OD1-CB 3.3Å; D830-T832 WeakPolarHBondContact OD1-CB 3.1Å; D830-T832 WeakPolarHBondContact OD1-CG2 3.36Å; D830-T832 PolarHBondContact OD1-N 3.48Å; D830-T832 PolarHBondContact OD1-OG1 2.89Å; D830-T832 PolarHBondContact OD2-OG1 2.77Å; D830-A849 CarbonylContact C-O 3.59Å; D830-A849 WeakPolarHBondContact CA-O 3.05Å | ||
| 831 | L | 49.7 | Very low | 57.2 | Low | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -71.3 | -8.6 | 178.4 | -61.1 | -175.1 | 0 | 0 | 0 | 112.8 | L762 F829 R833 A849 V1291 | L762-L831 HydrophobicContact CD2-CD2 4.03Å; F829-L831 HydrophobicContact CD2-CD2 3.93Å; F829-L831 HydrophobicContact CD2-CG 4.38Å; F829-L831 HydrophobicContact CE2-CD2 4.43Å; L831-R833 PolarHBondContact O-N 2.86Å; L831-A849 HydrophobicContact CB-CB 4.25Å; L831-A849 HydrophobicContact CD1-CB 3.41Å; L831-A849 VanDerWaalsContact CD1-CB 3.41Å; L831-A849 HydrophobicContact CG-CB 3.8Å; L831-A849 PolarHBondContact N-O 3.23Å; L831-V1291 HydrophobicContact CD2-CG1 3.98Å; L831-V1291 HydrophobicContact CD2-CG2 3.89Å |
| 832 | T | 42.7 | Very low | 54.2 | Low | 62 Ų | 62 | 66.1 Ų | 66.1 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -71.9 | -8.9 | -179.5 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | D830 S834 G848 | D830-T832 PolarHBondContact O-N 2.9Å; D830-T832 VanDerWaalsContact OD1-CB 3.3Å; D830-T832 WeakPolarHBondContact OD1-CB 3.1Å; D830-T832 WeakPolarHBondContact OD1-CG2 3.36Å; D830-T832 PolarHBondContact OD1-N 3.48Å; D830-T832 PolarHBondContact OD1-OG1 2.89Å; D830-T832 PolarHBondContact OD2-OG1 2.77Å; T832-S834 PolarHBondContact O-N 3.15Å; T832-G848 VanDerWaalsContact CG2-CA 3.45Å; T832-G848 WeakPolarHBondContact CG2-O 3.17Å |
| 833 | R | 46 | Very low | 51 | Low | 84 Ų | 84 | 74.2 Ų | 74.2 | 32% | 0.317 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -69.9 | 4.2 | -177.1 | -116.9 | 173.1 | 95.8 | 160.3 | 0.1 | 115.5 | L831 T1289 | L831-R833 PolarHBondContact O-N 2.86Å; R833-T1289 VanDerWaalsContact CZ-C 3.47Å; R833-T1289 PolarHBondContact NH1-O 3.2Å; R833-T1289 VanDerWaalsContact NH2-C 3.28Å; R833-T1289 PolarHBondContact NH2-O 2.86Å; R833-T1289 VanDerWaalsContact NH2-O 3.14Å; R833-T1289 PolarHBondContact NH2-OG1 3.18Å |
| 834 | S | 36.5 | Very low | 47.9 | Very low | 53 Ų | 53 | 76.2 Ų | 76.2 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -89 | 112.4 | 170.6 | 84.5 | 0 | 0 | 0 | 0 | 111 | T832 | T832-S834 PolarHBondContact O-N 3.15Š|
| 835 | N | 33.1 | Very low | 45 | Very low | 139 Ų | 139 | 81.7 Ų | 81.7 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | trans | 78.7 | 73.1 | 173.8 | -58.4 | -38.9 | 0 | 0 | 0 | 118.9 | N837 | N835-N837 PolarHBondContact O-N 2.7Å; N835-N837 VanDerWaalsContact O-N 3.09Å | ||
| 836 | S | 34.8 | Very low | 42.2 | Very low | 93 Ų | 93 | 89.5 Ų | 89.5 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | trans | -76.3 | 77.2 | 149 | 54.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 837 | N | 27.4 | Very low | 39.3 | Very low | 154 Ų | 154 | 92.8 Ų | 92.8 | 82% | 0.824 | 51% | 0.512 | S | S | * | . | trans | -130.4 | 79.1 | 150.9 | -88.3 | -31.1 | 0 | 0 | 0 | 105.9 | N835 | N835-N837 PolarHBondContact O-N 2.7Å; N835-N837 VanDerWaalsContact O-N 3.09Å | ||
| 838 | L | 33.4 | Very low | 37 | Very low | 134 Ų | 134 | 93.2 Ų | 93.2 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | trans | -109.4 | 97.1 | 167.8 | -122.7 | 94.6 | 0 | 0 | 0 | 109.6 | ||||
| 839 | I | 26.1 | Very low | 36 | Very low | 153 Ų | 153 | 93.3 Ų | 93.3 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | trans | -82.6 | 124.6 | 137.1 | -67.1 | 170.1 | 0 | 0 | 0 | 105.5 | ||||
| 840 | D | 28.5 | Very low | 35.7 | Very low | 142 Ų | 142 | 93.6 Ų | 93.6 | 76% | 0.759 | 52% | 0.521 | S | S | * | . | trans | 28.6 | 109.9 | 154.6 | -56.6 | -31 | 0 | 0 | 0 | 119.4 | ||||
| 841 | L | 29.1 | Very low | 36.3 | Very low | 139 Ų | 139 | 91.8 Ų | 91.8 | 73% | 0.728 | 52% | 0.515 | S | S | * | . | trans | -141.2 | 138.9 | 137.3 | -90.5 | 171.8 | 0 | 0 | 0 | 110.9 | N843 | L841-N843 VanDerWaalsContact C-N 3.25Å; L841-N843 PolarHBondContact O-N 3.36Å | ||
| 842 | P | 29.6 | Very low | 37.9 | Very low | 121 Ų | 121 | 92 Ų | 92 | 79% | 0.786 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 11.2 | -163.5 | -10.4 | 28.8 | 0 | 0 | 0 | 116 | ||
| 843 | N | 28 | Very low | 39.9 | Very low | 170 Ų | 170 | 89.6 Ų | 89.6 | 91% | 0.909 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.3 | 19.9 | -179 | -79 | -28.7 | 0 | 0 | 0 | 113.1 | L841 | L841-N843 VanDerWaalsContact C-N 3.25Å; L841-N843 PolarHBondContact O-N 3.36Å |
| 844 | G | 30 | Very low | 41.9 | Very low | 42 Ų | 42 | 85.6 Ų | 85.6 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | trans | -120 | 110.2 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 845 | I | 29.5 | Very low | 44.4 | Very low | 134 Ų | 134 | 85 Ų | 85 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | trans | -143.6 | 119.6 | 147.6 | -60.6 | -174.6 | 0 | 0 | 0 | 108.5 | ||||
| 846 | K | 32.3 | Very low | 47.1 | Very low | 163 Ų | 163 | 80.5 Ų | 80.5 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | trans | -74 | 128.4 | 175.1 | -71 | 178.4 | 169.2 | -167.8 | 0 | 110.4 | E764 G848 | E764-K846 IonicContact OE1-NZ 2.83Å; K846-G848 PolarHBondContact O-N 3.09Å | ||
| 847 | V | 31.1 | Very low | 49.8 | Very low | 69 Ų | 69 | 76 Ų | 76 | 42% | 0.418 | 43% | 0.425 | S | S | . | . | trans | -89.3 | 90.7 | 167.4 | -176.7 | 0 | 0 | 0 | 0 | 108 | Q518 | Q518-V847 HydrophobicContact CG-CG1 3.75Š| ||
| 848 | G | 34.3 | Very low | 53 | Low | 10 Ų | 10 | 69.1 Ų | 69.1 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | trans | -82.1 | 152.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T832 K846 S850 | T832-G848 VanDerWaalsContact CG2-CA 3.45Å; T832-G848 WeakPolarHBondContact CG2-O 3.17Å; K846-G848 PolarHBondContact O-N 3.09Å; G848-S850 PolarHBondContact O-N 3.05Å | ||
| 849 | A | 40.5 | Very low | 55.8 | Low | 20 Ų | 20 | 64.5 Ų | 64.5 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | trans | -56.4 | 111.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q793 D830 L831 | Q793-A849 HydrophobicContact CG-CB 3.95Å; D830-A849 CarbonylContact C-O 3.59Å; D830-A849 WeakPolarHBondContact CA-O 3.05Å; L831-A849 HydrophobicContact CB-CB 4.25Å; L831-A849 HydrophobicContact CD1-CB 3.41Å; L831-A849 VanDerWaalsContact CD1-CB 3.41Å; L831-A849 HydrophobicContact CG-CB 3.8Å; L831-A849 PolarHBondContact N-O 3.23Å | ||
| 850 | S | 53.8 | Low | 59.1 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | trans | -87.7 | 149 | 166.9 | 152.5 | 0 | 0 | 0 | 0 | 108.1 | S517 Q518 G848 | S517-S850 VanDerWaalsContact C-OG 3.31Å; S517-S850 WeakPolarHBondContact CB-OG 3.49Å; S517-S850 WeakPolarHBondContact OG-CB 3.34Å; S517-S850 PolarHBondContact OG-OG 2.99Å; Q518-S850 PolarHBondContact N-OG 3.25Å; G848-S850 PolarHBondContact O-N 3.05Å | ||
| 851 | G | 67 | Low | 62.2 | Low | 14 Ų | 14 | 50.9 Ų | 50.9 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -45.9 | 147.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G827 F829 A853 | G827-G851 WeakPolarHBondContact O-CA 3.5Å; F829-G851 PolarHBondContact O-N 2.99Å; G851-A853 PolarHBondContact O-N 2.8Å | ||
| 852 | I | 82.7 | Confident | 65.5 | Low | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | trans | -73.5 | 113 | -177.4 | -67.1 | 167.5 | 0 | 0 | 0 | 108.8 | C792 L825 D854 L857 R858 | C792-I852 HydrophobicContact CB-CD1 3.36Å; C792-I852 HydrophobicContact CB-CG1 4.07Å; L825-I852 HydrophobicContact CD2-CD1 3.23Å; L825-I852 HydrophobicContact CG-CD1 4.42Å; I852-D854 HydrophobicContact CG2-CB 4.42Å; I852-L857 HydrophobicContact CG2-CB 4.14Å; I852-L857 HydrophobicContact CG2-CD1 3.7Å; I852-R858 VanDerWaalsContact O-CD 3.3Å; I852-R858 WeakPolarHBondContact O-CD 3.48Å; I852-R858 PolarHBondContact O-NH1 3.24Å | ||
| 853 | A | 84.1 | Confident | 68.6 | Low | 10 Ų | 10 | 40.5 Ų | 40.5 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | trans | -91.9 | -15.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G516 A552 G851 S855 | G516-A853 VanDerWaalsContact CA-CB 3.46Å; A552-A853 HydrophobicContact CB-CB 3.86Å; A552-A853 WeakPolarHBondContact CB-O 3.35Å; G851-A853 PolarHBondContact O-N 2.8Å; A853-S855 PolarHBondContact O-N 3.42Å | ||
| 854 | D | 88.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -63.8 | 115.5 | -177.5 | -177.9 | -96.5 | 0 | 0 | 0 | 110.9 | W797 Y807 I852 Y856 L857 R858 | W797-D854 HydrophobicContact CE3-CB 4.41Å; W797-D854 HydrophobicContact CH2-CB 3.77Å; W797-D854 HydrophobicContact CZ3-CB 3.57Å; Y807-D854 PolarHBondContact OH-OD2 3.4Å; I852-D854 HydrophobicContact CG2-CB 4.42Å; D854-Y856 VanDerWaalsContact C-N 3.27Å; D854-Y856 PolarHBondContact O-N 3.45Å; D854-Y856 WeakPolarHBondContact OD1-CB 3.46Å; D854-Y856 PolarHBondContact OD1-N 2.73Å; D854-L857 HydrophobicContact CB-CB 4.31Å; D854-L857 HydrophobicContact CB-CD1 4.28Å; D854-L857 HydrophobicContact CB-CG 4.45Å; D854-L857 PolarHBondContact O-N 2.86Å; D854-L857 PolarHBondContact OD1-N 3.31Å; D854-R858 VanDerWaalsContact O-CG 3.31Å; D854-R858 WeakPolarHBondContact O-CG 3.44Å; D854-R858 PolarHBondContact O-N 3.02Å; D854-R858 VanDerWaalsContact O-N 3.1Å | ||
| 855 | S | 87.6 | Confident | 74.9 | Confident | 41 Ų | 41 | 30.7 Ų | 30.7 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.3 | -32.4 | -173.5 | 51.8 | 0 | 0 | 0 | 0 | 113 | A853 R858 E859 | A853-S855 PolarHBondContact O-N 3.42Å; S855-R858 PolarHBondContact O-N 2.92Å; S855-E859 WeakPolarHBondContact O-CB 3.49Å; S855-E859 PolarHBondContact O-N 2.93Å |
| 856 | Y | 90.4 | Very high | 77.9 | Confident | 44 Ų | 44 | 25.8 Ų | 25.8 | 17% | 0.173 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.1 | -46.4 | 179.3 | 179.5 | -116.5 | 0 | 0 | 0 | 111.6 | V647 Y807 I810 D854 R858 E859 L860 | V647-Y856 HydrophobicContact CG1-CD1 3.97Å; V647-Y856 HydrophobicContact CG1-CE1 3.83Å; V647-Y856 HydrophobicContact CG1-CG 4.42Å; V647-Y856 HydrophobicContact CG2-CD1 4.09Å; V647-Y856 HydrophobicContact CG2-CD2 4.22Å; V647-Y856 HydrophobicContact CG2-CG 3.82Å; Y807-Y856 HydrophobicContact CD1-CD1 4.09Å; Y807-Y856 HydrophobicContact CE1-CD1 4.2Å; I810-Y856 HydrophobicContact CG2-CE1 4.26Å; D854-Y856 VanDerWaalsContact C-N 3.27Å; D854-Y856 PolarHBondContact O-N 3.45Å; D854-Y856 WeakPolarHBondContact OD1-CB 3.46Å; D854-Y856 PolarHBondContact OD1-N 2.73Å; Y856-R858 VanDerWaalsContact C-N 3.31Å; Y856-R858 PolarHBondContact O-N 2.74Å; Y856-E859 WeakPolarHBondContact O-CB 3.35Å; Y856-E859 PolarHBondContact O-N 2.83Å; Y856-L860 HydrophobicContact CD1-CD1 4.29Å; Y856-L860 HydrophobicContact CE1-CD1 3.76Å; Y856-L860 HydrophobicContact CE1-CG 4.44Å; Y856-L860 HydrophobicContact CE2-CD1 4.48Å; Y856-L860 HydrophobicContact CE2-CD2 4.32Å; Y856-L860 HydrophobicContact CE2-CG 4.34Å; Y856-L860 WeakPolarHBondContact O-CG 3.41Å; Y856-L860 PolarHBondContact O-N 2.91Å |
| 857 | L | 92.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 173.1 | -81.2 | -179.2 | 0 | 0 | 0 | 112.5 | W797 F806 I810 I852 D854 E859 L860 A861 | W797-L857 HydrophobicContact CH2-CD1 3.73Å; W797-L857 HydrophobicContact CZ2-CD1 4.48Å; F806-L857 HydrophobicContact CE1-CD1 3.78Å; F806-L857 HydrophobicContact CE1-CD2 4.23Å; F806-L857 HydrophobicContact CE1-CG 4.17Å; F806-L857 HydrophobicContact CZ-CD1 3.83Å; F806-L857 HydrophobicContact CZ-CD2 4.15Å; F806-L857 HydrophobicContact CZ-CG 4.42Å; I810-L857 HydrophobicContact CD1-CD2 3.9Å; I810-L857 HydrophobicContact CG1-CD2 3.98Å; I810-L857 HydrophobicContact CG2-CD2 3.92Å; I852-L857 HydrophobicContact CG2-CB 4.14Å; I852-L857 HydrophobicContact CG2-CD1 3.7Å; D854-L857 HydrophobicContact CB-CB 4.31Å; D854-L857 HydrophobicContact CB-CD1 4.28Å; D854-L857 HydrophobicContact CB-CG 4.45Å; D854-L857 PolarHBondContact O-N 2.86Å; D854-L857 PolarHBondContact OD1-N 3.31Å; L857-E859 VanDerWaalsContact C-N 3.33Å; L857-L860 PolarHBondContact O-N 3.09Å; L857-A861 WeakPolarHBondContact O-CB 3.48Å; L857-A861 PolarHBondContact O-N 3.07Å |
| 858 | R | 93.3 | Very high | 83.7 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 3% | 0.034 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 177.8 | -66.5 | -178.2 | 77.2 | 74.7 | 6.8 | 111.2 | L825 L826 I852 D854 S855 Y856 A861 V862 E887 | L825-R858 PolarHBondContact O-NH1 3.37Å; L826-R858 HydrophobicContact CD2-CB 4.18Å; L826-R858 PolarHBondContact O-NH1 3.01Å; L826-R858 PolarHBondContact O-NH2 3.41Å; I852-R858 VanDerWaalsContact O-CD 3.3Å; I852-R858 WeakPolarHBondContact O-CD 3.48Å; I852-R858 PolarHBondContact O-NH1 3.24Å; D854-R858 VanDerWaalsContact O-CG 3.31Å; D854-R858 WeakPolarHBondContact O-CG 3.44Å; D854-R858 PolarHBondContact O-N 3.02Å; D854-R858 VanDerWaalsContact O-N 3.1Å; S855-R858 PolarHBondContact O-N 2.92Å; Y856-R858 VanDerWaalsContact C-N 3.31Å; Y856-R858 PolarHBondContact O-N 2.74Å; R858-A861 WeakPolarHBondContact O-CB 3.46Å; R858-A861 PolarHBondContact O-N 3.36Å; R858-V862 WeakPolarHBondContact O-CG2 3.33Å; R858-V862 PolarHBondContact O-N 3.11Å; R858-E887 IonicContact CZ-OE1 3.91Å; R858-E887 VanDerWaalsContact CZ-OE1 3.23Å; R858-E887 IonicContact NE-OE1 2.9Å; R858-E887 PolarHBondContact NE-OE1 3.11Å; R858-E887 IonicContact NE-OE2 3.36Å; R858-E887 IonicContact NH2-OE1 3.95Å; R858-E887 PolarHBondContact NH2-OE1 2.95Å |
| 859 | E | 93.4 | Very high | 86.4 | Confident | 37 Ų | 37 | 23.8 Ų | 23.8 | 17% | 0.173 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 173.4 | 179.9 | 174.8 | -162.3 | 0 | 0 | 112 | H360 S855 Y856 L857 A861 V862 N863 A893 | H360-E859 WeakPolarHBondContact CB-OE1 3.14Å; S855-E859 WeakPolarHBondContact O-CB 3.49Å; S855-E859 PolarHBondContact O-N 2.93Å; Y856-E859 WeakPolarHBondContact O-CB 3.35Å; Y856-E859 PolarHBondContact O-N 2.83Å; L857-E859 VanDerWaalsContact C-N 3.33Å; E859-A861 VanDerWaalsContact C-N 3.31Å; E859-A861 PolarHBondContact O-N 2.69Å; E859-V862 PolarHBondContact O-N 3.26Å; E859-N863 WeakPolarHBondContact O-CB 3.49Å; E859-N863 VanDerWaalsContact O-CG 3.23Å; E859-N863 PolarHBondContact O-N 2.96Å; E859-N863 PolarHBondContact O-ND2 3.14Å; E859-A893 HydrophobicContact CB-CB 4.13Å; E859-A893 HydrophobicContact CG-CB 4Å |
| 860 | L | 94.3 | Very high | 88.9 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 175.4 | -65.1 | -179.8 | 0 | 0 | 0 | 112.4 | I810 F817 Y856 L857 N863 S864 | I810-L860 HydrophobicContact CG2-CD1 3.47Å; I810-L860 VanDerWaalsContact CG2-CD1 3.47Å; F817-L860 HydrophobicContact CE2-CB 3.67Å; F817-L860 HydrophobicContact CZ-CB 4.03Å; F817-L860 HydrophobicContact CZ-CD1 4.26Å; Y856-L860 HydrophobicContact CD1-CD1 4.29Å; Y856-L860 HydrophobicContact CE1-CD1 3.76Å; Y856-L860 HydrophobicContact CE1-CG 4.44Å; Y856-L860 HydrophobicContact CE2-CD1 4.48Å; Y856-L860 HydrophobicContact CE2-CD2 4.32Å; Y856-L860 HydrophobicContact CE2-CG 4.34Å; Y856-L860 WeakPolarHBondContact O-CG 3.41Å; Y856-L860 PolarHBondContact O-N 2.91Å; L857-L860 PolarHBondContact O-N 3.09Å; L860-N863 PolarHBondContact O-N 3.18Å; L860-S864 PolarHBondContact O-N 2.87Å; L860-S864 VanDerWaalsContact O-N 3.12Å; L860-S864 PolarHBondContact O-OG 3.41Å |
| 861 | A | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62 | -46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A822 L825 L826 L857 R858 E859 S864 | A822-A861 HydrophobicContact CB-CB 4.27Å; L825-A861 HydrophobicContact CB-CB 3.84Å; L825-A861 HydrophobicContact CD1-CB 4.13Å; L826-A861 HydrophobicContact CD1-CB 4.47Å; L826-A861 HydrophobicContact CD2-CB 4.06Å; L826-A861 HydrophobicContact CG-CB 3.92Å; L857-A861 WeakPolarHBondContact O-CB 3.48Å; L857-A861 PolarHBondContact O-N 3.07Å; R858-A861 WeakPolarHBondContact O-CB 3.46Å; R858-A861 PolarHBondContact O-N 3.36Å; E859-A861 VanDerWaalsContact C-N 3.31Å; E859-A861 PolarHBondContact O-N 2.69Å; A861-S864 WeakPolarHBondContact O-CB 3.3Å; A861-S864 PolarHBondContact O-N 3.37Å |
| 862 | V | 96.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.7 | L826 R858 E859 S864 L865 Y866 A893 L894 F897 | L826-V862 HydrophobicContact CD1-CG2 4.28Å; L826-V862 HydrophobicContact CD2-CG2 3.87Å; R858-V862 WeakPolarHBondContact O-CG2 3.33Å; R858-V862 PolarHBondContact O-N 3.11Å; E859-V862 PolarHBondContact O-N 3.26Å; V862-S864 PolarHBondContact O-N 3.17Å; V862-S864 VanDerWaalsContact O-N 3.15Å; V862-L865 WeakPolarHBondContact O-CB 3.37Å; V862-L865 PolarHBondContact O-N 3.17Å; V862-Y866 HydrophobicContact CG1-CE2 4.26Å; V862-A893 HydrophobicContact CB-CB 4.05Å; V862-A893 HydrophobicContact CG1-CB 4.11Å; V862-A893 HydrophobicContact CG2-CB 4.15Å; V862-L894 HydrophobicContact CG2-CB 3.78Å; V862-L894 HydrophobicContact CG2-CD1 4.02Å; V862-F897 HydrophobicContact CG1-CB 3.49Å; V862-F897 VanDerWaalsContact CG1-CB 3.49Å; V862-F897 HydrophobicContact CG1-CD1 4.19Å; V862-F897 HydrophobicContact CG1-CG 3.84Å |
| 863 | N | 95 | Very high | 92.3 | Very high | 41 Ų | 41 | 25.7 Ų | 25.7 | 22% | 0.219 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.1 | -30.7 | 178.1 | -72 | -16.6 | 0 | 0 | 0 | 111.9 | E859 L860 L865 Y866 | E859-N863 WeakPolarHBondContact O-CB 3.49Å; E859-N863 VanDerWaalsContact O-CG 3.23Å; E859-N863 PolarHBondContact O-N 2.96Å; E859-N863 PolarHBondContact O-ND2 3.14Å; L860-N863 PolarHBondContact O-N 3.18Å; N863-L865 VanDerWaalsContact C-N 3.28Å; N863-L865 PolarHBondContact O-N 3.18Å; N863-Y866 PolarHBondContact O-N 3.03Å |
| 864 | S | 94.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.5 | -20.4 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 113.5 | F817 L860 A861 V862 | F817-S864 WeakPolarHBondContact CB-OG 3.24Å; F817-S864 PolarHBondContact N-OG 3.25Å; F817-S864 WeakPolarHBondContact O-CB 3.19Å; L860-S864 PolarHBondContact O-N 2.87Å; L860-S864 VanDerWaalsContact O-N 3.12Å; L860-S864 PolarHBondContact O-OG 3.41Å; A861-S864 WeakPolarHBondContact O-CB 3.3Å; A861-S864 PolarHBondContact O-N 3.37Å; V862-S864 PolarHBondContact O-N 3.17Å; V862-S864 VanDerWaalsContact O-N 3.15Å |
| 865 | L | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -84.4 | -10.4 | 179.3 | -56.3 | -177.6 | 0 | 0 | 0 | 113.7 | V819 A822 L826 V862 N863 N867 L868 L880 F897 | V819-L865 HydrophobicContact CG1-CD2 4.45Å; A822-L865 HydrophobicContact CB-CD2 3.73Å; A822-L865 HydrophobicContact CB-CG 4.36Å; L826-L865 HydrophobicContact CD1-CD1 3.68Å; V862-L865 WeakPolarHBondContact O-CB 3.37Å; V862-L865 PolarHBondContact O-N 3.17Å; N863-L865 VanDerWaalsContact C-N 3.28Å; N863-L865 PolarHBondContact O-N 3.18Å; L865-N867 PolarHBondContact O-N 2.91Å; L865-L868 HydrophobicContact CB-CD1 4.13Å; L865-L868 HydrophobicContact CD2-CD1 3.87Å; L865-L868 WeakPolarHBondContact O-CB 3.36Å; L865-L868 PolarHBondContact O-N 2.9Å; L865-L868 VanDerWaalsContact O-N 3.1Å; L865-L880 HydrophobicContact CD1-CD1 4.34Å; L865-L880 HydrophobicContact CD1-CD2 3.98Å; L865-F897 HydrophobicContact CB-CE1 3.96Å; L865-F897 HydrophobicContact CB-CE2 4.47Å; L865-F897 HydrophobicContact CB-CZ 3.79Å; L865-F897 HydrophobicContact CD1-CE1 4.26Å |
| 866 | Y | 93.5 | Very high | 93.2 | Very high | 31 Ų | 31 | 24.4 Ų | 24.4 | 12% | 0.122 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -61.2 | -28.7 | -178.4 | -89 | -99.7 | 0 | 0 | 0 | 113.4 | E354 L357 I358 V862 N863 L868 F897 Y900 R901 | E354-Y866 HydrophobicContact CG-CE1 4.38Å; L357-Y866 WeakPolarHBondContact CB-OH 3.43Å; I358-Y866 HydrophobicContact CG1-CE2 4.43Å; V862-Y866 HydrophobicContact CG1-CE2 4.26Å; N863-Y866 PolarHBondContact O-N 3.03Å; Y866-L868 VanDerWaalsContact C-N 3.33Å; Y866-F897 HydrophobicContact CD1-CD2 4.27Å; Y866-F897 HydrophobicContact CD1-CE2 4.37Å; Y866-F897 AromaticContact CD2-CD2 3.77Å; Y866-F897 HydrophobicContact CD2-CD2 3.77Å; Y866-F897 HydrophobicContact CD2-CE2 4.04Å; Y866-F897 HydrophobicContact CE1-CD2 4Å; Y866-F897 HydrophobicContact CE2-CB 4.21Å; Y866-F897 AromaticContact CE2-CD2 3.49Å; Y866-F897 HydrophobicContact CE2-CD2 3.49Å; Y866-F897 VanDerWaalsContact CE2-CD2 3.49Å; Y866-F897 HydrophobicContact CE2-CE2 4.22Å; Y866-F897 HydrophobicContact CE2-CG 4.17Å; Y866-F897 HydrophobicContact CG-CD2 4.16Å; Y866-F897 HydrophobicContact CG-CE2 4.13Å; Y866-F897 AromaticContact CZ-CD2 3.6Å; Y866-Y900 HydrophobicContact CE1-CD1 4.1Å; Y866-Y900 HydrophobicContact CE1-CE1 4.21Å; Y866-R901 PolarHBondContact O-NH1 3.17Å |
| 867 | N | 90.4 | Very high | 93.5 | Very high | 133 Ų | 133 | 22.3 Ų | 22.3 | 71% | 0.711 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -80.5 | -9.3 | 179.4 | -67.3 | -23.3 | 0 | 0 | 0 | 114.1 | L865 S869 | L865-N867 PolarHBondContact O-N 2.91Å; N867-S869 PolarHBondContact O-N 3.35Å |
| 868 | L | 93.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.063 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -61.6 | 137.9 | 176.6 | -74.1 | 178.4 | 0 | 0 | 0 | 110.8 | V819 L865 Y866 E872 L873 Y876 R901 | V819-L868 HydrophobicContact CG1-CD1 4.45Å; V819-L868 HydrophobicContact CG1-CD2 4.16Å; V819-L868 HydrophobicContact CG2-CD2 3.57Å; V819-L868 HydrophobicContact CG2-CG 4.33Å; L865-L868 HydrophobicContact CB-CD1 4.13Å; L865-L868 HydrophobicContact CD2-CD1 3.87Å; L865-L868 WeakPolarHBondContact O-CB 3.36Å; L865-L868 PolarHBondContact O-N 2.9Å; L865-L868 VanDerWaalsContact O-N 3.1Å; Y866-L868 VanDerWaalsContact C-N 3.33Å; L868-E872 HydrophobicContact CD2-CB 4.34Å; L868-E872 HydrophobicContact CD2-CG 4.02Å; L868-E872 WeakPolarHBondContact CD2-OE2 3.34Å; L868-L873 HydrophobicContact CB-CB 4.44Å; L868-L873 HydrophobicContact CD1-CD1 4.44Å; L868-Y876 HydrophobicContact CD1-CD2 4.13Å; L868-Y876 HydrophobicContact CD1-CE2 4.33Å; L868-Y876 HydrophobicContact CD2-CE2 4.39Å; L868-R901 PolarHBondContact O-NH1 2.99Å; L868-R901 PolarHBondContact O-NH2 3.46Å |
| 869 | S | 92.5 | Very high | 93.8 | Very high | 54 Ų | 54 | 22.6 Ų | 22.6 | 38% | 0.378 | 12% | 0.124 | S | C | . | . | trans | -63.1 | 154.8 | 166.2 | 73.9 | 0 | 0 | 0 | 0 | 110.6 | N867 A871 E872 L873 | N867-S869 PolarHBondContact O-N 3.35Å; S869-A871 PolarHBondContact O-N 3.28Å; S869-E872 PolarHBondContact O-N 3.38Å; S869-E872 WeakPolarHBondContact OG-CB 3.46Å; S869-E872 PolarHBondContact OG-N 3.5Å; S869-E872 VanDerWaalsContact OG-N 3.14Å; S869-L873 WeakPolarHBondContact O-CB 3.14Å; S869-L873 PolarHBondContact O-N 2.62Å | ||
| 870 | D | 91.8 | Very high | 94 | Very high | 41 Ų | 41 | 20.8 Ų | 20.8 | 22% | 0.219 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.2 | -32.6 | 176.3 | -69.3 | -32.3 | 0 | 0 | 0 | 112 | S874 R901 N905 I909 | D870-S874 WeakPolarHBondContact O-CB 3.34Å; D870-S874 PolarHBondContact O-N 3.46Å; D870-R901 IonicContact OD1-CZ 3.31Å; D870-R901 VanDerWaalsContact OD1-CZ 3.31Å; D870-R901 IonicContact OD1-NE 3.68Å; D870-R901 PolarHBondContact OD1-NE 2.94Å; D870-R901 VanDerWaalsContact OD1-NE 3.08Å; D870-R901 IonicContact OD1-NH2 3.73Å; D870-R901 PolarHBondContact OD1-NH2 3.22Å; D870-N905 WeakPolarHBondContact CB-ND2 3.48Å; D870-N905 WeakPolarHBondContact OD2-CB 3.31Å; D870-N905 PolarHBondContact OD2-ND2 2.77Å; D870-I909 HydrophobicContact CB-CD1 4.36Å; D870-I909 HydrophobicContact CB-CG1 4.27Å; D870-I909 WeakPolarHBondContact O-CD1 3.5Å |
| 871 | A | 88.5 | Confident | 94.1 | Very high | 19 Ų | 19 | 20.4 Ų | 20.4 | 16% | 0.157 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R177 S869 S874 D875 | R177-A871 HydrophobicContact CG-CB 4.16Å; S869-A871 PolarHBondContact O-N 3.28Å; A871-S874 WeakPolarHBondContact O-CB 3.46Å; A871-D875 PolarHBondContact O-N 2.99Å |
| 872 | E | 91.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 20.4 Ų | 20.4 | 24% | 0.243 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.4 | -41.4 | 178.4 | -163.9 | -175.8 | 173.6 | 0 | 0 | 111.9 | L868 S869 S874 D875 Y876 | L868-E872 HydrophobicContact CD2-CB 4.34Å; L868-E872 HydrophobicContact CD2-CG 4.02Å; L868-E872 WeakPolarHBondContact CD2-OE2 3.34Å; S869-E872 PolarHBondContact O-N 3.38Å; S869-E872 WeakPolarHBondContact OG-CB 3.46Å; S869-E872 PolarHBondContact OG-N 3.5Å; S869-E872 VanDerWaalsContact OG-N 3.14Å; E872-S874 PolarHBondContact O-N 3.43Å; E872-D875 WeakPolarHBondContact O-CB 3.39Å; E872-D875 PolarHBondContact O-N 3.06Å; E872-Y876 HydrophobicContact CG-CE2 3.6Å; E872-Y876 WeakPolarHBondContact O-CD2 3.42Å; E872-Y876 PolarHBondContact OE1-OH 2.96Å |
| 873 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.4 | -40 | 173.6 | 177.1 | 61.6 | 0 | 0 | 0 | 111.4 | L868 S869 D875 Y876 L877 L880 F897 R901 I909 | L868-L873 HydrophobicContact CB-CB 4.44Å; L868-L873 HydrophobicContact CD1-CD1 4.44Å; S869-L873 WeakPolarHBondContact O-CB 3.14Å; S869-L873 PolarHBondContact O-N 2.62Å; L873-D875 PolarHBondContact O-N 3.47Å; L873-Y876 PolarHBondContact O-N 2.9Å; L873-L877 PolarHBondContact O-N 3.46Å; L873-L880 HydrophobicContact CD1-CD1 3.5Å; L873-L880 VanDerWaalsContact CD1-CD1 3.5Å; L873-F897 HydrophobicContact CD1-CE1 3.89Å; L873-F897 HydrophobicContact CD1-CZ 4.08Å; L873-F897 HydrophobicContact CD2-CE1 4.38Å; L873-F897 HydrophobicContact CD2-CZ 4.08Å; L873-R901 HydrophobicContact CD2-CB 3.72Å; L873-R901 HydrophobicContact CD2-CG 3.78Å; L873-I909 HydrophobicContact CB-CD1 4.34Å; L873-I909 HydrophobicContact CD2-CD1 4.19Å; L873-I909 HydrophobicContact CD2-CG1 4.47Å; L873-I909 HydrophobicContact CG-CD1 4.18Å |
| 874 | S | 92.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60 | -27.7 | 175.6 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | D870 A871 E872 Y876 R912 | D870-S874 WeakPolarHBondContact O-CB 3.34Å; D870-S874 PolarHBondContact O-N 3.46Å; A871-S874 WeakPolarHBondContact O-CB 3.46Å; E872-S874 PolarHBondContact O-N 3.43Å; S874-Y876 VanDerWaalsContact C-N 3.28Å; S874-R912 WeakPolarHBondContact OG-CD 3.17Å; S874-R912 VanDerWaalsContact OG-CZ 3.22Å; S874-R912 PolarHBondContact OG-NE 3.18Å; S874-R912 PolarHBondContact OG-NH1 2.97Å |
| 875 | D | 91.8 | Very high | 93 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.032 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -77.3 | -14.6 | 178.2 | -69.3 | -15.2 | 0 | 0 | 0 | 112.3 | A871 E872 L873 Q1058 K1061 R1065 | A871-D875 PolarHBondContact O-N 2.99Å; E872-D875 WeakPolarHBondContact O-CB 3.39Å; E872-D875 PolarHBondContact O-N 3.06Å; L873-D875 PolarHBondContact O-N 3.47Å; D875-Q1058 PolarHBondContact O-NE2 3.19Å; D875-K1061 IonicContact OD1-NZ 3.85Å; D875-K1061 PolarHBondContact OD1-NZ 2.91Å; D875-R1065 IonicContact OD2-CZ 2.74Å; D875-R1065 IonicContact OD2-NE 2.9Å; D875-R1065 PolarHBondContact OD2-NE 2.77Å; D875-R1065 IonicContact OD2-NH2 3.58Å |
| 876 | Y | 95.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -115.1 | -5.5 | 178.7 | -46.2 | -42.9 | 0 | 0 | 0 | 113.1 | V819 L823 L868 E872 L873 S874 L878 Q879 L880 L1062 R1065 L1272 L1276 | V819-Y876 HydrophobicContact CG1-CD2 4.34Å; V819-Y876 HydrophobicContact CG1-CE2 3.75Å; L823-Y876 HydrophobicContact CD1-CD1 4.29Å; L823-Y876 HydrophobicContact CD1-CD2 4.21Å; L823-Y876 HydrophobicContact CD1-CE2 4.44Å; L823-Y876 HydrophobicContact CD1-CG 4.14Å; L868-Y876 HydrophobicContact CD1-CD2 4.13Å; L868-Y876 HydrophobicContact CD1-CE2 4.33Å; L868-Y876 HydrophobicContact CD2-CE2 4.39Å; E872-Y876 HydrophobicContact CG-CE2 3.6Å; E872-Y876 WeakPolarHBondContact O-CD2 3.42Å; E872-Y876 PolarHBondContact OE1-OH 2.96Å; L873-Y876 PolarHBondContact O-N 2.9Å; S874-Y876 VanDerWaalsContact C-N 3.28Å; Y876-L878 VanDerWaalsContact C-N 3.25Å; Y876-L878 PolarHBondContact O-N 3.27Å; Y876-Q879 WeakPolarHBondContact O-CB 3.19Å; Y876-Q879 PolarHBondContact O-N 3.07Å; Y876-Q879 PolarHBondContact O-OE1 2.91Å; Y876-L880 WeakPolarHBondContact O-CG 3.48Å; Y876-L880 PolarHBondContact O-N 3.11Å; Y876-L1062 HydrophobicContact CE1-CD1 4.49Å; Y876-R1065 PolarHBondContact OH-NH2 2.87Å; Y876-L1272 HydrophobicContact CE1-CD1 4.32Å; Y876-L1276 HydrophobicContact CD1-CD1 4.13Å; Y876-L1276 HydrophobicContact CD1-CD2 3.75Å; Y876-L1276 HydrophobicContact CE1-CD1 4.26Å; Y876-L1276 HydrophobicContact CE1-CD2 4.49Å; Y876-L1276 HydrophobicContact CG-CD2 4.43Å |
| 877 | L | 96.8 | Very high | 92 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.2 | -36.3 | -171.2 | -174.4 | 62.6 | 0 | 0 | 0 | 112.8 | L873 Q879 L880 V881 I898 I909 R912 L913 | L873-L877 PolarHBondContact O-N 3.46Å; L877-Q879 PolarHBondContact O-N 3.41Å; L877-L880 PolarHBondContact O-N 2.59Å; L877-V881 WeakPolarHBondContact O-CG2 3.46Å; L877-V881 PolarHBondContact O-N 3.3Å; L877-I898 HydrophobicContact CD1-CG2 4.07Å; L877-I909 HydrophobicContact CD1-CG2 4.41Å; L877-I909 HydrophobicContact CD2-CG2 4.11Å; L877-R912 HydrophobicContact CD2-CB 3.64Å; L877-L913 HydrophobicContact CD2-CB 4.44Å |
| 878 | L | 96 | Very high | 91.6 | Very high | 14 Ų | 14 | 13.6 Ų | 13.6 | 7% | 0.073 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 177.6 | -173.8 | 62.8 | 0 | 0 | 0 | 111.1 | Y876 V881 Q882 L1055 M1280 | Y876-L878 VanDerWaalsContact C-N 3.25Å; Y876-L878 PolarHBondContact O-N 3.27Å; L878-V881 PolarHBondContact O-N 2.78Å; L878-Q882 WeakPolarHBondContact O-CG 3.48Å; L878-Q882 PolarHBondContact O-N 3.49Å; L878-L1055 HydrophobicContact CD2-CB 4.22Å; L878-L1055 HydrophobicContact CD2-CD1 4.36Å; L878-M1280 HydrophobicContact CD1-CE 4.46Å; L878-M1280 HydrophobicContact CD2-CE 3.85Å; L878-M1280 HydrophobicContact CD2-SD 4.13Å; L878-M1280 HydrophobicContact CG-CE 3.87Å; L878-M1280 HydrophobicContact CG-SD 3.83Å |
| 879 | Q | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.5 | -71 | 73.7 | 19.5 | 0 | 0 | 112.1 | Y876 L877 V881 Q882 A883 Q1058 L1276 M1279 M1280 | Y876-Q879 WeakPolarHBondContact O-CB 3.19Å; Y876-Q879 PolarHBondContact O-N 3.07Å; Y876-Q879 PolarHBondContact O-OE1 2.91Å; L877-Q879 PolarHBondContact O-N 3.41Å; Q879-V881 VanDerWaalsContact C-N 3.31Å; Q879-V881 PolarHBondContact O-N 2.89Å; Q879-Q882 WeakPolarHBondContact O-CB 3.3Å; Q879-Q882 PolarHBondContact O-N 2.98Å; Q879-Q882 VanDerWaalsContact O-N 3.11Å; Q879-A883 PolarHBondContact O-N 3.24Å; Q879-Q1058 VanDerWaalsContact NE2-NE2 3.11Å; Q879-L1276 HydrophobicContact CB-CD2 4.26Å; Q879-L1276 HydrophobicContact CG-CB 4.13Å; Q879-L1276 HydrophobicContact CG-CD2 3.74Å; Q879-L1276 VanDerWaalsContact CG-O 3.23Å; Q879-L1276 WeakPolarHBondContact CG-O 3.22Å; Q879-M1279 HydrophobicContact CB-CB 3.8Å; Q879-M1279 HydrophobicContact CB-CE 3.93Å; Q879-M1279 HydrophobicContact CB-SD 3.99Å; Q879-M1279 HydrophobicContact CG-CB 3.85Å; Q879-M1280 HydrophobicContact CG-CG 4.07Å; Q879-M1280 HydrophobicContact CG-SD 4.12Å |
| 880 | L | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | 177.1 | -66.8 | 176.8 | 0 | 0 | 0 | 111.7 | L823 L826 L865 L873 Y876 L877 Q882 A883 L884 L894 I898 M1279 | L823-L880 HydrophobicContact CD2-CD2 3.9Å; L826-L880 HydrophobicContact CD1-CD2 3.94Å; L865-L880 HydrophobicContact CD1-CD1 4.34Å; L865-L880 HydrophobicContact CD1-CD2 3.98Å; L873-L880 HydrophobicContact CD1-CD1 3.5Å; L873-L880 VanDerWaalsContact CD1-CD1 3.5Å; Y876-L880 WeakPolarHBondContact O-CG 3.48Å; Y876-L880 PolarHBondContact O-N 3.11Å; L877-L880 PolarHBondContact O-N 2.59Å; L880-Q882 VanDerWaalsContact C-N 3.32Å; L880-A883 PolarHBondContact O-N 3.35Å; L880-L884 PolarHBondContact O-N 3.39Å; L880-L894 HydrophobicContact CD2-CD1 4.17Å; L880-I898 HydrophobicContact CB-CD1 3.83Å; L880-M1279 HydrophobicContact CD2-CE 4.34Å |
| 881 | V | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 171.1 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L877 L878 Q879 L884 L913 H916 L917 F930 | L877-V881 WeakPolarHBondContact O-CG2 3.46Å; L877-V881 PolarHBondContact O-N 3.3Å; L878-V881 PolarHBondContact O-N 2.78Å; Q879-V881 VanDerWaalsContact C-N 3.31Å; Q879-V881 PolarHBondContact O-N 2.89Å; V881-L884 WeakPolarHBondContact O-CB 3.41Å; V881-L884 PolarHBondContact O-N 3.22Å; V881-L913 HydrophobicContact CG2-CD1 3.76Å; V881-H916 HydrophobicContact CB-CB 4.47Å; V881-H916 HydrophobicContact CG1-CB 4.24Å; V881-H916 HydrophobicContact CG2-CB 4.06Å; V881-L917 HydrophobicContact CG1-CD2 3.95Å; V881-F930 HydrophobicContact CG1-CZ 4.45Å |
| 882 | Q | 91.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 173.9 | -58.9 | -47.4 | -53.3 | 0 | 0 | 112.4 | L878 Q879 L880 L884 K885 E920 M1279 M1280 S1283 | L878-Q882 WeakPolarHBondContact O-CG 3.48Å; L878-Q882 PolarHBondContact O-N 3.49Å; Q879-Q882 WeakPolarHBondContact O-CB 3.3Å; Q879-Q882 PolarHBondContact O-N 2.98Å; Q879-Q882 VanDerWaalsContact O-N 3.11Å; L880-Q882 VanDerWaalsContact C-N 3.32Å; Q882-L884 PolarHBondContact O-N 2.81Å; Q882-K885 VanDerWaalsContact O-CB 3.32Å; Q882-K885 WeakPolarHBondContact O-CB 3.25Å; Q882-K885 WeakPolarHBondContact O-CG 3.43Å; Q882-K885 PolarHBondContact O-N 3.39Å; Q882-E920 PolarHBondContact NE2-OE1 2.95Å; Q882-M1279 VanDerWaalsContact CB-O 3.28Å; Q882-M1279 WeakPolarHBondContact CB-O 3.31Å; Q882-M1280 HydrophobicContact CG-CE 3.97Å; Q882-M1280 HydrophobicContact CG-SD 3.47Å; Q882-M1280 WeakPolarHBondContact CG-SD 3.24Å; Q882-S1283 VanDerWaalsContact OE1-CA 3.25Å |
| 883 | A | 91.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 3% | 0.025 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.3 | -27.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L826 Q879 L880 K885 A886 L894 M1279 | L826-A883 HydrophobicContact CB-CB 4.46Å; Q879-A883 PolarHBondContact O-N 3.24Å; L880-A883 PolarHBondContact O-N 3.35Å; A883-K885 PolarHBondContact O-N 3.49Å; A883-K885 VanDerWaalsContact O-N 3.14Å; A883-A886 PolarHBondContact O-N 2.81Å; A883-A886 VanDerWaalsContact O-N 3.07Å; A883-L894 HydrophobicContact CB-CD2 3.79Å; A883-M1279 HydrophobicContact CB-CE 4.08Å |
| 884 | L | 91.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.1 | 172.9 | -67.8 | 171.7 | 0 | 0 | 0 | 113.1 | L880 V881 Q882 A886 L894 T895 I898 L917 R929 F930 I933 | L880-L884 PolarHBondContact O-N 3.39Å; V881-L884 WeakPolarHBondContact O-CB 3.41Å; V881-L884 PolarHBondContact O-N 3.22Å; Q882-L884 PolarHBondContact O-N 2.81Å; L884-A886 VanDerWaalsContact C-N 3.29Å; L884-A886 PolarHBondContact O-N 3.13Å; L884-L894 HydrophobicContact CD2-CB 4.16Å; L884-L894 HydrophobicContact CD2-CD2 3.85Å; L884-L894 HydrophobicContact CD2-CG 3.73Å; L884-L894 HydrophobicContact CG-CD2 4.19Å; L884-L894 HydrophobicContact CG-CG 4.42Å; L884-T895 WeakPolarHBondContact CD2-OG1 3.47Å; L884-I898 HydrophobicContact CD1-CD1 4.25Å; L884-I898 HydrophobicContact CD2-CD1 4.36Å; L884-I898 HydrophobicContact CG-CD1 4.28Å; L884-L917 HydrophobicContact CD1-CD2 4.33Å; L884-R929 PolarHBondContact O-NH1 3.4Å; L884-F930 HydrophobicContact CB-CE1 4.28Å; L884-I933 HydrophobicContact CD1-CD1 3.93Å |
| 885 | K | 85.7 | Confident | 91.6 | Very high | 19 Ų | 19 | 8.2 Ų | 8.2 | 8% | 0.083 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -28 | 177.6 | -62 | 177.4 | 171 | 170.5 | 0 | 112.4 | Q882 A883 E920 M926 F930 P1282 | Q882-K885 VanDerWaalsContact O-CB 3.32Å; Q882-K885 WeakPolarHBondContact O-CB 3.25Å; Q882-K885 WeakPolarHBondContact O-CG 3.43Å; Q882-K885 PolarHBondContact O-N 3.39Å; A883-K885 PolarHBondContact O-N 3.49Å; A883-K885 VanDerWaalsContact O-N 3.14Å; K885-E920 WeakPolarHBondContact CE-OE2 3.12Å; K885-E920 IonicContact NZ-OE1 2.74Å; K885-E920 IonicContact NZ-OE2 3.26Å; K885-E920 PolarHBondContact NZ-OE2 3.35Å; K885-M926 HydrophobicContact CB-SD 4.13Å; K885-M926 HydrophobicContact CG-CG 4.45Å; K885-M926 HydrophobicContact CG-SD 3.85Å; K885-F930 HydrophobicContact CG-CZ 4.16Å; K885-P1282 HydrophobicContact CD-CB 4.04Å; K885-P1282 PolarHBondContact NZ-O 2.67Å |
| 886 | A | 81.9 | Confident | 91.8 | Very high | 26 Ų | 26 | 8.1 Ų | 8.1 | 22% | 0.215 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -18.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R554 A828 A883 L884 T888 | R554-A886 PolarHBondContact NH2-O 2.86Å; R554-A886 VanDerWaalsContact NH2-O 3.14Å; A828-A886 HydrophobicContact CB-CB 3.36Å; A883-A886 PolarHBondContact O-N 2.81Å; A883-A886 VanDerWaalsContact O-N 3.07Å; L884-A886 VanDerWaalsContact C-N 3.29Å; L884-A886 PolarHBondContact O-N 3.13Å; A886-T888 PolarHBondContact O-N 3.46Å |
| 887 | E | 86.5 | Confident | 91.9 | Very high | 11 Ų | 11 | 7.9 Ų | 7.9 | 5% | 0.051 | 4% | 0.044 | C | C | . | . | trans | -59 | 134.2 | -177.9 | -65.5 | -61.7 | 152.4 | 0 | 0 | 111.9 | R858 N892 R929 | R858-E887 IonicContact CZ-OE1 3.91Å; R858-E887 VanDerWaalsContact CZ-OE1 3.23Å; R858-E887 IonicContact NE-OE1 2.9Å; R858-E887 PolarHBondContact NE-OE1 3.11Å; R858-E887 IonicContact NE-OE2 3.36Å; R858-E887 IonicContact NH2-OE1 3.95Å; R858-E887 PolarHBondContact NH2-OE1 2.95Å; E887-N892 WeakPolarHBondContact CB-ND2 3.45Å; E887-N892 HydrophobicContact CG-CB 4.46Å; E887-N892 WeakPolarHBondContact CG-ND2 3.4Å; E887-R929 VanDerWaalsContact O-CZ 3.31Å; E887-R929 PolarHBondContact O-NH1 3.38Å; E887-R929 PolarHBondContact O-NH2 3.44Å | ||
| 888 | T | 81.1 | Confident | 91.9 | Very high | 8 Ų | 8 | 7.9 Ų | 7.9 | 5% | 0.049 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -71 | -39.6 | -176.7 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | R554 S584 A886 | R554-T888 PolarHBondContact NH2-OG1 3.35Å; S584-T888 WeakPolarHBondContact OG-CG2 3.43Å; A886-T888 PolarHBondContact O-N 3.46Å |
| 889 | Y | 86 | Confident | 92 | Very high | 29 Ų | 29 | 7.2 Ų | 7.2 | 11% | 0.114 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -114.7 | 151 | -176.9 | -56.6 | -66.1 | 0 | 0 | 0 | 111.2 | E140 F586 D587 H588 D891 N892 | E140-Y889 WeakPolarHBondContact OE1-CA 3.29Å; F586-Y889 WeakPolarHBondContact O-CE1 3.32Å; F586-Y889 PolarHBondContact O-OH 3.36Å; D587-Y889 PolarHBondContact O-OH 2.88Å; H588-Y889 HydrophobicContact CB-CD1 4.43Å; Y889-D891 VanDerWaalsContact C-N 3.33Å; Y889-D891 WeakPolarHBondContact CB-O 3.38Å; Y889-N892 PolarHBondContact O-ND2 3.05Å |
| 890 | L | 89.7 | Confident | 92.1 | Very high | 5 Ų | 5 | 7.2 Ų | 7.2 | 3% | 0.026 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -59.7 | -42.9 | 174.6 | -70.1 | 173.3 | 0 | 0 | 0 | 112.3 | E140 V141 A144 L621 R929 L932 | E140-L890 HydrophobicContact CG-CD1 4.35Å; E140-L890 PolarHBondContact OE1-N 3.38Å; V141-L890 HydrophobicContact CB-CD1 4.39Å; V141-L890 HydrophobicContact CG2-CD1 3.73Å; A144-L890 HydrophobicContact CB-CB 3.45Å; A144-L890 VanDerWaalsContact CB-CB 3.45Å; A144-L890 HydrophobicContact CB-CD1 4.34Å; L621-L890 HydrophobicContact CD1-CD1 4.32Å; L621-L890 HydrophobicContact CD1-CD2 4.1Å; L621-L890 HydrophobicContact CD2-CD1 4.23Å; L890-R929 HydrophobicContact CD2-CB 3.72Å; L890-R929 HydrophobicContact CD2-CG 3.9Å; L890-L932 HydrophobicContact CD1-CD1 3.94Å; L890-L932 HydrophobicContact CD2-CD1 4.35Å |
| 891 | D | 91.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 7.9 Ų | 7.9 | 8% | 0.075 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -89.7 | 123.1 | 168 | -175.4 | 22.2 | 0 | 0 | 0 | 109.7 | A144 R147 Y889 R896 | A144-D891 HydrophobicContact CB-CB 4.06Å; R147-D891 WeakPolarHBondContact CG-OD2 3.23Å; R147-D891 IonicContact NE-OD2 3.44Å; R147-D891 PolarHBondContact NE-OD2 3.26Å; Y889-D891 VanDerWaalsContact C-N 3.33Å; Y889-D891 WeakPolarHBondContact CB-O 3.38Å; D891-R896 VanDerWaalsContact OD1-CD 3.26Å; D891-R896 WeakPolarHBondContact OD1-CD 3.43Å; D891-R896 WeakPolarHBondContact OD1-CG 3.29Å; D891-R896 IonicContact OD1-NE 2.8Å |
| 892 | N | 91.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 7.9 Ų | 7.9 | 8% | 0.08 | 4% | 0.044 | C | C | . | . | trans | -157.5 | 166.9 | 178.1 | 62.5 | 73.5 | 0 | 0 | 0 | 109.3 | E887 Y889 L894 T895 R896 | E887-N892 WeakPolarHBondContact CB-ND2 3.45Å; E887-N892 HydrophobicContact CG-CB 4.46Å; E887-N892 WeakPolarHBondContact CG-ND2 3.4Å; Y889-N892 PolarHBondContact O-ND2 3.05Å; N892-L894 VanDerWaalsContact C-N 3.31Å; N892-L894 PolarHBondContact O-N 3.3Å; N892-L894 WeakPolarHBondContact OD1-CA 3.45Å; N892-L894 WeakPolarHBondContact OD1-CB 3.32Å; N892-L894 PolarHBondContact OD1-N 2.71Å; N892-T895 PolarHBondContact ND2-OG1 2.88Å; N892-T895 PolarHBondContact O-N 3.49Å; N892-T895 PolarHBondContact OD1-N 3Å; N892-T895 PolarHBondContact OD1-OG1 3.4Å; N892-R896 WeakPolarHBondContact O-CG 3.42Å; N892-R896 PolarHBondContact O-N 3.4Å | ||
| 893 | A | 94 | Very high | 92.3 | Very high | 12 Ų | 12 | 7.9 Ų | 7.9 | 10% | 0.099 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.5 | -41.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | E859 V862 R896 F897 | E859-A893 HydrophobicContact CB-CB 4.13Å; E859-A893 HydrophobicContact CG-CB 4Å; V862-A893 HydrophobicContact CB-CB 4.05Å; V862-A893 HydrophobicContact CG1-CB 4.11Å; V862-A893 HydrophobicContact CG2-CB 4.15Å; A893-R896 PolarHBondContact O-N 2.88Å; A893-F897 VanDerWaalsContact O-CB 3.31Å; A893-F897 WeakPolarHBondContact O-CB 3.47Å; A893-F897 PolarHBondContact O-N 3.42Å |
| 894 | L | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | -176.9 | -177.3 | 62 | 0 | 0 | 0 | 111.5 | L826 V862 L880 A883 L884 N892 R896 F897 I898 | L826-L894 HydrophobicContact CD1-CD1 4.31Å; V862-L894 HydrophobicContact CG2-CB 3.78Å; V862-L894 HydrophobicContact CG2-CD1 4.02Å; L880-L894 HydrophobicContact CD2-CD1 4.17Å; A883-L894 HydrophobicContact CB-CD2 3.79Å; L884-L894 HydrophobicContact CD2-CB 4.16Å; L884-L894 HydrophobicContact CD2-CD2 3.85Å; L884-L894 HydrophobicContact CD2-CG 3.73Å; L884-L894 HydrophobicContact CG-CD2 4.19Å; L884-L894 HydrophobicContact CG-CG 4.42Å; N892-L894 VanDerWaalsContact C-N 3.31Å; N892-L894 PolarHBondContact O-N 3.3Å; N892-L894 WeakPolarHBondContact OD1-CA 3.45Å; N892-L894 WeakPolarHBondContact OD1-CB 3.32Å; N892-L894 PolarHBondContact OD1-N 2.71Å; L894-R896 VanDerWaalsContact C-N 3.34Å; L894-R896 PolarHBondContact O-N 3.21Å; L894-F897 PolarHBondContact O-N 2.94Å; L894-I898 HydrophobicContact CD1-CD1 3.7Å; L894-I898 HydrophobicContact CD1-CG1 4.05Å; L894-I898 HydrophobicContact CG-CD1 3.84Å; L894-I898 HydrophobicContact CG-CG1 4.49Å; L894-I898 WeakPolarHBondContact O-CB 3.32Å; L894-I898 WeakPolarHBondContact O-CG1 3.46Å; L894-I898 PolarHBondContact O-N 3.17Å |
| 895 | T | 96.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -56.6 | -49.1 | 175.3 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | L148 L884 N892 L899 I933 | L148-T895 HydrophobicContact CD1-CG2 4.02Å; L148-T895 HydrophobicContact CD2-CG2 3.54Å; L148-T895 HydrophobicContact CG-CG2 4.43Å; L884-T895 WeakPolarHBondContact CD2-OG1 3.47Å; N892-T895 PolarHBondContact ND2-OG1 2.88Å; N892-T895 PolarHBondContact O-N 3.49Å; N892-T895 PolarHBondContact OD1-N 3Å; N892-T895 PolarHBondContact OD1-OG1 3.4Å; T895-L899 VanDerWaalsContact O-CB 3.24Å; T895-L899 WeakPolarHBondContact O-CB 3.36Å; T895-L899 PolarHBondContact O-N 3.19Å; T895-I933 HydrophobicContact CG2-CD1 3.7Å; T895-I933 HydrophobicContact CG2-CG1 3.59Å |
| 896 | R | 96.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | -178.7 | -72.2 | -172.5 | -66.3 | 130.5 | 8.8 | 111.9 | L148 L357 H360 D891 N892 A893 L894 Y900 | L148-R896 HydrophobicContact CD2-CG 4.23Å; L357-R896 HydrophobicContact CD2-CB 3.7Å; L357-R896 HydrophobicContact CD2-CG 4.44Å; L357-R896 PolarHBondContact O-NH1 3.21Å; L357-R896 PolarHBondContact O-NH2 3.02Å; H360-R896 PolarHBondContact CD2-NH2 3.35Å; D891-R896 VanDerWaalsContact OD1-CD 3.26Å; D891-R896 WeakPolarHBondContact OD1-CD 3.43Å; D891-R896 WeakPolarHBondContact OD1-CG 3.29Å; D891-R896 IonicContact OD1-NE 2.8Å; N892-R896 WeakPolarHBondContact O-CG 3.42Å; N892-R896 PolarHBondContact O-N 3.4Å; A893-R896 PolarHBondContact O-N 2.88Å; L894-R896 VanDerWaalsContact C-N 3.34Å; L894-R896 PolarHBondContact O-N 3.21Å; R896-Y900 VanDerWaalsContact O-CB 3.25Å; R896-Y900 WeakPolarHBondContact O-CB 3.27Å; R896-Y900 PolarHBondContact O-N 3.47Å |
| 897 | F | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.4 | -52.5 | 176.7 | 167.1 | -109.6 | 0 | 0 | 0 | 112.3 | V862 L865 Y866 L873 A893 L894 L899 Y900 R901 | V862-F897 HydrophobicContact CG1-CB 3.49Å; V862-F897 VanDerWaalsContact CG1-CB 3.49Å; V862-F897 HydrophobicContact CG1-CD1 4.19Å; V862-F897 HydrophobicContact CG1-CG 3.84Å; L865-F897 HydrophobicContact CB-CE1 3.96Å; L865-F897 HydrophobicContact CB-CE2 4.47Å; L865-F897 HydrophobicContact CB-CZ 3.79Å; L865-F897 HydrophobicContact CD1-CE1 4.26Å; Y866-F897 HydrophobicContact CD1-CD2 4.27Å; Y866-F897 HydrophobicContact CD1-CE2 4.37Å; Y866-F897 AromaticContact CD2-CD2 3.77Å; Y866-F897 HydrophobicContact CD2-CD2 3.77Å; Y866-F897 HydrophobicContact CD2-CE2 4.04Å; Y866-F897 HydrophobicContact CE1-CD2 4Å; Y866-F897 HydrophobicContact CE2-CB 4.21Å; Y866-F897 AromaticContact CE2-CD2 3.49Å; Y866-F897 HydrophobicContact CE2-CD2 3.49Å; Y866-F897 VanDerWaalsContact CE2-CD2 3.49Å; Y866-F897 HydrophobicContact CE2-CE2 4.22Å; Y866-F897 HydrophobicContact CE2-CG 4.17Å; Y866-F897 HydrophobicContact CG-CD2 4.16Å; Y866-F897 HydrophobicContact CG-CE2 4.13Å; Y866-F897 AromaticContact CZ-CD2 3.6Å; L873-F897 HydrophobicContact CD1-CE1 3.89Å; L873-F897 HydrophobicContact CD1-CZ 4.08Å; L873-F897 HydrophobicContact CD2-CE1 4.38Å; L873-F897 HydrophobicContact CD2-CZ 4.08Å; A893-F897 VanDerWaalsContact O-CB 3.31Å; A893-F897 WeakPolarHBondContact O-CB 3.47Å; A893-F897 PolarHBondContact O-N 3.42Å; L894-F897 PolarHBondContact O-N 2.94Å; F897-L899 PolarHBondContact O-N 2.83Å; F897-Y900 WeakPolarHBondContact O-CB 3.37Å; F897-Y900 PolarHBondContact O-N 2.93Å; F897-R901 HydrophobicContact CD2-CG 3.91Å; F897-R901 HydrophobicContact CE2-CG 3.54Å; F897-R901 HydrophobicContact CZ-CG 3.89Å; F897-R901 WeakPolarHBondContact O-CG 3.35Å; F897-R901 PolarHBondContact O-N 2.89Å |
| 898 | I | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | -178.3 | -68 | 172.9 | 0 | 0 | 0 | 110.4 | L877 L880 L884 L894 Y900 R901 A902 L913 | L877-I898 HydrophobicContact CD1-CG2 4.07Å; L880-I898 HydrophobicContact CB-CD1 3.83Å; L884-I898 HydrophobicContact CD1-CD1 4.25Å; L884-I898 HydrophobicContact CD2-CD1 4.36Å; L884-I898 HydrophobicContact CG-CD1 4.28Å; L894-I898 HydrophobicContact CD1-CD1 3.7Å; L894-I898 HydrophobicContact CD1-CG1 4.05Å; L894-I898 HydrophobicContact CG-CD1 3.84Å; L894-I898 HydrophobicContact CG-CG1 4.49Å; L894-I898 WeakPolarHBondContact O-CB 3.32Å; L894-I898 WeakPolarHBondContact O-CG1 3.46Å; L894-I898 PolarHBondContact O-N 3.17Å; I898-Y900 PolarHBondContact O-N 3.12Å; I898-R901 PolarHBondContact O-N 2.87Å; I898-A902 WeakPolarHBondContact O-CB 3.49Å; I898-A902 PolarHBondContact O-N 3.3Å; I898-L913 HydrophobicContact CG2-CD1 3.4Å; I898-L913 VanDerWaalsContact CG2-CD1 3.4Å; I898-L913 HydrophobicContact CG2-CD2 3.66Å; I898-L913 HydrophobicContact CG2-CG 4.11Å |
| 899 | L | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 176 | 176.3 | 61.7 | 0 | 0 | 0 | 111.4 | L148 V151 T895 F897 A902 L903 A936 F937 | L148-L899 HydrophobicContact CB-CD2 4.09Å; L148-L899 HydrophobicContact CD2-CD2 4.05Å; V151-L899 HydrophobicContact CB-CD2 4.1Å; V151-L899 HydrophobicContact CG1-CD2 4.13Å; V151-L899 HydrophobicContact CG1-CG 4.19Å; T895-L899 VanDerWaalsContact O-CB 3.24Å; T895-L899 WeakPolarHBondContact O-CB 3.36Å; T895-L899 PolarHBondContact O-N 3.19Å; F897-L899 PolarHBondContact O-N 2.83Å; L899-A902 PolarHBondContact O-N 3.04Å; L899-L903 HydrophobicContact CD1-CD1 3.93Å; L899-L903 HydrophobicContact CD1-CG 4.12Å; L899-L903 HydrophobicContact CG-CD1 4.06Å; L899-L903 WeakPolarHBondContact O-CB 3.35Å; L899-L903 VanDerWaalsContact O-CG 3.3Å; L899-L903 WeakPolarHBondContact O-CG 3.33Å; L899-L903 PolarHBondContact O-N 3.13Å; L899-A936 HydrophobicContact CD1-CB 4.26Å; L899-A936 HydrophobicContact CD2-CB 3.72Å; L899-F937 HydrophobicContact CD1-CB 3.84Å |
| 900 | Y | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 177.2 | 167.2 | -117.9 | 0 | 0 | 0 | 112.2 | Y350 L353 E354 L357 Y866 R896 F897 I898 L903 K904 | Y350-Y900 HydrophobicContact CD1-CE2 4.01Å; Y350-Y900 HydrophobicContact CE1-CE2 4.38Å; L353-Y900 HydrophobicContact CD2-CD2 3.54Å; L353-Y900 HydrophobicContact CD2-CE2 3.6Å; L353-Y900 HydrophobicContact CG-CD2 3.93Å; L353-Y900 HydrophobicContact CG-CE2 4Å; E354-Y900 VanDerWaalsContact CD-OH 3.31Å; E354-Y900 HydrophobicContact CG-CE1 3.62Å; E354-Y900 VanDerWaalsContact CG-OH 3.28Å; E354-Y900 WeakPolarHBondContact CG-OH 3.41Å; E354-Y900 PolarHBondContact OE1-OH 2.75Å; L357-Y900 HydrophobicContact CD1-CD1 3.67Å; L357-Y900 HydrophobicContact CD1-CD2 3.84Å; L357-Y900 HydrophobicContact CD1-CE1 4.34Å; L357-Y900 HydrophobicContact CD1-CG 3.37Å; Y866-Y900 HydrophobicContact CE1-CD1 4.1Å; Y866-Y900 HydrophobicContact CE1-CE1 4.21Å; R896-Y900 VanDerWaalsContact O-CB 3.25Å; R896-Y900 WeakPolarHBondContact O-CB 3.27Å; R896-Y900 PolarHBondContact O-N 3.47Å; F897-Y900 WeakPolarHBondContact O-CB 3.37Å; F897-Y900 PolarHBondContact O-N 2.93Å; I898-Y900 PolarHBondContact O-N 3.12Å; Y900-L903 PolarHBondContact O-N 2.79Å; Y900-K904 HydrophobicContact CE1-CD 4.39Å; Y900-K904 HydrophobicContact CE2-CB 4.48Å; Y900-K904 HydrophobicContact CE2-CD 4.29Å; Y900-K904 WeakPolarHBondContact O-CB 3.42Å; Y900-K904 PolarHBondContact O-N 3.43Å; Y900-K904 WeakPolarHBondContact OH-CD 3.09Å; Y900-K904 PolarHBondContact OH-NZ 3.34Å |
| 901 | R | 96.6 | Very high | 95 | Very high | 14 Ų | 14 | 11.3 Ų | 11.3 | 5% | 0.053 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | -179.8 | -65.5 | -66.7 | -68.6 | -95.1 | -1.1 | 112 | Y866 L868 D870 L873 F897 I898 K904 N905 I909 | Y866-R901 PolarHBondContact O-NH1 3.17Å; L868-R901 PolarHBondContact O-NH1 2.99Å; L868-R901 PolarHBondContact O-NH2 3.46Å; D870-R901 IonicContact OD1-CZ 3.31Å; D870-R901 VanDerWaalsContact OD1-CZ 3.31Å; D870-R901 IonicContact OD1-NE 3.68Å; D870-R901 PolarHBondContact OD1-NE 2.94Å; D870-R901 VanDerWaalsContact OD1-NE 3.08Å; D870-R901 IonicContact OD1-NH2 3.73Å; D870-R901 PolarHBondContact OD1-NH2 3.22Å; L873-R901 HydrophobicContact CD2-CB 3.72Å; L873-R901 HydrophobicContact CD2-CG 3.78Å; F897-R901 HydrophobicContact CD2-CG 3.91Å; F897-R901 HydrophobicContact CE2-CG 3.54Å; F897-R901 HydrophobicContact CZ-CG 3.89Å; F897-R901 WeakPolarHBondContact O-CG 3.35Å; F897-R901 PolarHBondContact O-N 2.89Å; I898-R901 PolarHBondContact O-N 2.87Å; R901-K904 PolarHBondContact O-N 2.7Å; R901-N905 PolarHBondContact O-N 2.68Å; R901-I909 HydrophobicContact CB-CG2 4.3Å |
| 902 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | I898 L899 N905 P906 I909 G910 L913 F937 | I898-A902 WeakPolarHBondContact O-CB 3.49Å; I898-A902 PolarHBondContact O-N 3.3Å; L899-A902 PolarHBondContact O-N 3.04Å; A902-N905 CarbonylContact O-C 3.47Å; A902-P906 WeakPolarHBondContact O-CA 3.46Å; A902-I909 HydrophobicContact CB-CG2 4.02Å; A902-G910 WeakPolarHBondContact O-CA 3.25Å; A902-L913 HydrophobicContact CB-CB 4.22Å; A902-L913 HydrophobicContact CB-CD2 3.36Å; A902-L913 HydrophobicContact CB-CG 4.42Å; A902-F937 HydrophobicContact CB-CD2 4.09Å; A902-F937 HydrophobicContact CB-CE2 4.09Å |
| 903 | L | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69 | -48.8 | 174.4 | -71.8 | 174.2 | 0 | 0 | 0 | 110.7 | V151 A152 H155 Y170 L899 Y900 N905 F937 C941 | V151-L903 HydrophobicContact CG1-CD1 4.42Å; A152-L903 HydrophobicContact CB-CD1 4.34Å; H155-L903 HydrophobicContact CB-CB 4.26Å; H155-L903 HydrophobicContact CB-CD1 4.04Å; H155-L903 PolarHBondContact NE2-O 3.2Å; H155-L903 VanDerWaalsContact NE2-O 3.17Å; Y170-L903 WeakPolarHBondContact CE2-O 3.49Å; Y170-L903 PolarHBondContact OH-O 3.49Å; L899-L903 HydrophobicContact CD1-CD1 3.93Å; L899-L903 HydrophobicContact CD1-CG 4.12Å; L899-L903 HydrophobicContact CG-CD1 4.06Å; L899-L903 WeakPolarHBondContact O-CB 3.35Å; L899-L903 VanDerWaalsContact O-CG 3.3Å; L899-L903 WeakPolarHBondContact O-CG 3.33Å; L899-L903 PolarHBondContact O-N 3.13Å; Y900-L903 PolarHBondContact O-N 2.79Å; L903-N905 VanDerWaalsContact C-N 3.34Å; L903-N905 PolarHBondContact O-N 2.93Å; L903-F937 HydrophobicContact CD2-CD2 3.8Å; L903-F937 HydrophobicContact CD2-CE2 4.22Å; L903-F937 HydrophobicContact CG-CD2 4.26Å; L903-C941 HydrophobicContact CD2-CB 4.25Å |
| 904 | K | 93.7 | Very high | 95.8 | Very high | 89 Ų | 89 | 13 Ų | 13 | 39% | 0.387 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -61 | -37.8 | -179.4 | -168.9 | -178.4 | -170.4 | 172 | 0 | 113.6 | Y350 E354 Y900 R901 | Y350-K904 HydrophobicContact CE1-CG 4.31Å; E354-K904 IonicContact OE1-NZ 3.88Å; E354-K904 PolarHBondContact OE1-NZ 3.05Å; Y900-K904 HydrophobicContact CE1-CD 4.39Å; Y900-K904 HydrophobicContact CE2-CB 4.48Å; Y900-K904 HydrophobicContact CE2-CD 4.29Å; Y900-K904 WeakPolarHBondContact O-CB 3.42Å; Y900-K904 PolarHBondContact O-N 3.43Å; Y900-K904 WeakPolarHBondContact OH-CD 3.09Å; Y900-K904 PolarHBondContact OH-NZ 3.34Å; R901-K904 PolarHBondContact O-N 2.7Å |
| 905 | N | 92.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 13 Ų | 13 | 15% | 0.15 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -125.3 | 81.8 | 177.3 | -169.5 | -28.1 | 0 | 0 | 0 | 110.9 | D870 R901 A902 L903 L907 Q908 I909 G910 | D870-N905 WeakPolarHBondContact CB-ND2 3.48Å; D870-N905 WeakPolarHBondContact OD2-CB 3.31Å; D870-N905 PolarHBondContact OD2-ND2 2.77Å; R901-N905 PolarHBondContact O-N 2.68Å; A902-N905 CarbonylContact O-C 3.47Å; L903-N905 VanDerWaalsContact C-N 3.34Å; L903-N905 PolarHBondContact O-N 2.93Å; N905-L907 VanDerWaalsContact C-N 3.3Å; N905-L907 PolarHBondContact O-N 2.88Å; N905-Q908 WeakPolarHBondContact OD1-CB 3.42Å; N905-Q908 PolarHBondContact OD1-N 3.37Å; N905-Q908 VanDerWaalsContact OD1-N 3.09Å; N905-I909 HydrophobicContact CB-CG1 4.25Å; N905-I909 WeakPolarHBondContact O-CB 3.15Å; N905-I909 PolarHBondContact O-N 3.05Å; N905-G910 PolarHBondContact O-N 3.39Å |
| 906 | P | 92.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 3% | 0.026 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -66.5 | -29.9 | -173.3 | 28.1 | -38.4 | 0 | 0 | 0 | 113.4 | Y170 A902 G910 L911 M944 | Y170-P906 HydrophobicContact CD1-CG 4.03Å; Y170-P906 HydrophobicContact CD2-CG 3.79Å; Y170-P906 HydrophobicContact CE1-CB 4.08Å; Y170-P906 HydrophobicContact CE1-CG 3.71Å; Y170-P906 HydrophobicContact CE2-CB 4.19Å; Y170-P906 VanDerWaalsContact CE2-CD 3.46Å; Y170-P906 HydrophobicContact CE2-CG 3.5Å; Y170-P906 VanDerWaalsContact CE2-CG 3.5Å; Y170-P906 HydrophobicContact CG-CG 4.05Å; Y170-P906 VanDerWaalsContact CZ-CG 3.41Å; Y170-P906 WeakPolarHBondContact O-CG 3.35Å; A902-P906 WeakPolarHBondContact O-CA 3.46Å; P906-G910 CarbonylContact O-C 3.56Å; P906-G910 VanDerWaalsContact O-CA 3.32Å; P906-G910 WeakPolarHBondContact O-CA 3.42Å; P906-G910 PolarHBondContact O-N 3.45Å; P906-L911 PolarHBondContact O-N 2.97Å; P906-M944 HydrophobicContact CB-CE 4.42Å; P906-M944 HydrophobicContact CB-SD 3.54Å; P906-M944 VanDerWaalsContact CB-SD 3.54Å |
| 907 | L | 92.2 | Very high | 96 | Very high | 36 Ų | 36 | 13.3 Ų | 13.3 | 19% | 0.188 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -80.5 | -43.1 | -172.1 | -54.5 | -174.5 | 0 | 0 | 0 | 112.2 | S173 N905 L1000 | S173-L907 WeakPolarHBondContact O-CD1 3.4Å; N905-L907 VanDerWaalsContact C-N 3.3Å; N905-L907 PolarHBondContact O-N 2.88Å; L907-L1000 HydrophobicContact CD2-CB 4.08Å; L907-L1000 HydrophobicContact CD2-CD1 3.71Å; L907-L1000 HydrophobicContact CD2-CG 4.43Å |
| 908 | Q | 90.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 7% | 0.07 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -88.1 | -41.4 | 179 | -64.5 | -174.5 | 20.3 | 0 | 0 | 112.7 | S175 N905 R912 | S175-Q908 WeakPolarHBondContact OG-CG 3.25Å; S175-Q908 PolarHBondContact OG-NE2 3.41Å; N905-Q908 WeakPolarHBondContact OD1-CB 3.42Å; N905-Q908 PolarHBondContact OD1-N 3.37Å; N905-Q908 VanDerWaalsContact OD1-N 3.09Å; Q908-R912 WeakPolarHBondContact O-CD 3.39Å; Q908-R912 PolarHBondContact O-NH1 3.04Å |
| 909 | I | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -103 | -49.1 | -172.8 | -52.5 | -58.2 | 0 | 0 | 0 | 110.4 | D870 L873 L877 R901 A902 N905 L911 R912 L913 | D870-I909 HydrophobicContact CB-CD1 4.36Å; D870-I909 HydrophobicContact CB-CG1 4.27Å; D870-I909 WeakPolarHBondContact O-CD1 3.5Å; L873-I909 HydrophobicContact CB-CD1 4.34Å; L873-I909 HydrophobicContact CD2-CD1 4.19Å; L873-I909 HydrophobicContact CD2-CG1 4.47Å; L873-I909 HydrophobicContact CG-CD1 4.18Å; L877-I909 HydrophobicContact CD1-CG2 4.41Å; L877-I909 HydrophobicContact CD2-CG2 4.11Å; R901-I909 HydrophobicContact CB-CG2 4.3Å; A902-I909 HydrophobicContact CB-CG2 4.02Å; N905-I909 HydrophobicContact CB-CG1 4.25Å; N905-I909 WeakPolarHBondContact O-CB 3.15Å; N905-I909 PolarHBondContact O-N 3.05Å; I909-L911 PolarHBondContact O-N 3.47Å; I909-R912 PolarHBondContact O-N 3.31Å; I909-L913 WeakPolarHBondContact O-CB 3.37Å; I909-L913 PolarHBondContact O-N 3.43Å |
| 910 | G | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.067 | C | C | . | . | I | π-helix | trans | -58.3 | -49.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A902 N905 P906 R912 L913 F914 | A902-G910 WeakPolarHBondContact O-CA 3.25Å; N905-G910 PolarHBondContact O-N 3.39Å; P906-G910 CarbonylContact O-C 3.56Å; P906-G910 VanDerWaalsContact O-CA 3.32Å; P906-G910 WeakPolarHBondContact O-CA 3.42Å; P906-G910 PolarHBondContact O-N 3.45Å; G910-R912 VanDerWaalsContact C-N 3.34Å; G910-R912 PolarHBondContact O-N 3.15Å; G910-L913 PolarHBondContact O-N 2.94Å; G910-F914 WeakPolarHBondContact O-CB 3.36Å; G910-F914 PolarHBondContact O-N 3.47Å |
| 911 | L | 96.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 179 | -176.5 | 65.8 | 0 | 0 | 0 | 112.2 | P906 I909 W915 M944 L948 L1000 F1082 | P906-L911 PolarHBondContact O-N 2.97Å; I909-L911 PolarHBondContact O-N 3.47Å; L911-W915 VanDerWaalsContact O-CD1 3.24Å; L911-W915 PolarHBondContact O-N 2.92Å; L911-M944 HydrophobicContact CB-CE 4.18Å; L911-M944 HydrophobicContact CD1-CE 4.37Å; L911-L948 HydrophobicContact CD1-CD2 3.81Å; L911-L1000 HydrophobicContact CD1-CD2 4.32Å; L911-L1000 HydrophobicContact CD1-CG 4.3Å; L911-L1000 HydrophobicContact CD2-CG 4.22Å; L911-F1082 HydrophobicContact CD2-CE2 4.33Å; L911-F1082 HydrophobicContact CG-CE2 4.29Å |
| 912 | R | 96.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 17.8 Ų | 17.8 | 28% | 0.279 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -67.8 | -48.2 | 178.3 | -71.1 | -176.2 | 178.7 | 107.2 | -1.6 | 111.2 | S874 L877 Q908 I909 G910 F914 W915 H916 F1082 | S874-R912 WeakPolarHBondContact OG-CD 3.17Å; S874-R912 VanDerWaalsContact OG-CZ 3.22Å; S874-R912 PolarHBondContact OG-NE 3.18Å; S874-R912 PolarHBondContact OG-NH1 2.97Å; L877-R912 HydrophobicContact CD2-CB 3.64Å; Q908-R912 WeakPolarHBondContact O-CD 3.39Å; Q908-R912 PolarHBondContact O-NH1 3.04Å; I909-R912 PolarHBondContact O-N 3.31Å; G910-R912 VanDerWaalsContact C-N 3.34Å; G910-R912 PolarHBondContact O-N 3.15Å; R912-F914 VanDerWaalsContact C-N 3.28Å; R912-F914 PolarHBondContact O-N 3.34Å; R912-W915 PolarHBondContact O-N 3.46Å; R912-H916 WeakPolarHBondContact O-CB 3.26Å; R912-H916 PolarHBondContact O-CD2 3.38Å; R912-H916 PolarHBondContact O-N 3.31Å; R912-H916 PolarHBondContact O-ND1 2.89Å; R912-F1082 HydrophobicContact CG-CE1 3.94Å; R912-F1082 HydrophobicContact CG-CZ 3.71Å |
| 913 | L | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -55.3 | -46.5 | 176.5 | 179.1 | 65.3 | 0 | 0 | 0 | 111 | L877 V881 I898 A902 I909 G910 W915 H916 L917 | L877-L913 HydrophobicContact CD2-CB 4.44Å; V881-L913 HydrophobicContact CG2-CD1 3.76Å; I898-L913 HydrophobicContact CG2-CD1 3.4Å; I898-L913 VanDerWaalsContact CG2-CD1 3.4Å; I898-L913 HydrophobicContact CG2-CD2 3.66Å; I898-L913 HydrophobicContact CG2-CG 4.11Å; A902-L913 HydrophobicContact CB-CB 4.22Å; A902-L913 HydrophobicContact CB-CD2 3.36Å; A902-L913 HydrophobicContact CB-CG 4.42Å; I909-L913 WeakPolarHBondContact O-CB 3.37Å; I909-L913 PolarHBondContact O-N 3.43Å; G910-L913 PolarHBondContact O-N 2.94Å; L913-W915 PolarHBondContact O-N 3.31Å; L913-H916 PolarHBondContact O-N 2.94Å; L913-L917 HydrophobicContact CD1-CD1 3.74Å; L913-L917 HydrophobicContact CD1-CG 3.91Å; L913-L917 HydrophobicContact CD2-CD1 4.42Å; L913-L917 HydrophobicContact CG-CD1 3.83Å; L913-L917 HydrophobicContact CG-CG 4.34Å; L913-L917 WeakPolarHBondContact O-CG 3.34Å; L913-L917 PolarHBondContact O-N 3.48Å |
| 914 | F | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54 | -52.7 | 178.8 | 178.2 | -93.8 | 0 | 0 | 0 | 111.6 | C123 G910 R912 R918 L934 F937 L948 V952 | C123-F914 HydrophobicContact CB-CE2 3.88Å; C123-F914 HydrophobicContact CB-CZ 4.08Å; G910-F914 WeakPolarHBondContact O-CB 3.36Å; G910-F914 PolarHBondContact O-N 3.47Å; R912-F914 VanDerWaalsContact C-N 3.28Å; R912-F914 PolarHBondContact O-N 3.34Å; F914-R918 WeakPolarHBondContact O-CB 3.39Å; F914-R918 PolarHBondContact O-N 3.18Å; F914-L934 HydrophobicContact CD2-CD2 3.69Å; F914-L934 HydrophobicContact CE2-CD2 4.23Å; F914-L934 HydrophobicContact CG-CD2 4.35Å; F914-F937 HydrophobicContact CB-CE1 4.09Å; F914-F937 HydrophobicContact CD2-CD1 4.21Å; F914-F937 HydrophobicContact CD2-CE1 4.13Å; F914-L948 HydrophobicContact CD1-CD2 3.93Å; F914-L948 HydrophobicContact CD2-CD1 3.93Å; F914-L948 HydrophobicContact CE1-CB 4.47Å; F914-L948 HydrophobicContact CE1-CD2 4.15Å; F914-L948 HydrophobicContact CE2-CB 4.36Å; F914-L948 HydrophobicContact CE2-CD1 4.14Å; F914-L948 HydrophobicContact CG-CD1 4.22Å; F914-L948 HydrophobicContact CG-CD2 4.16Å; F914-L948 HydrophobicContact CZ-CB 4.16Å; F914-V952 HydrophobicContact CE1-CG2 4.06Å; F914-V952 HydrophobicContact CZ-CG2 3.81Å |
| 915 | W | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.8 | -36.7 | -179 | -70.4 | 121.4 | 0 | 0 | 0 | 113.3 | L911 R912 L913 R918 S919 Q951 V952 L955 P997 F1082 T1084 | L911-W915 VanDerWaalsContact O-CD1 3.24Å; L911-W915 PolarHBondContact O-N 2.92Å; R912-W915 PolarHBondContact O-N 3.46Å; L913-W915 PolarHBondContact O-N 3.31Å; W915-R918 HydrophobicContact CE3-CB 4.4Å; W915-R918 HydrophobicContact CZ3-CG 4.43Å; W915-R918 PolarHBondContact O-N 3.29Å; W915-S919 VanDerWaalsContact O-CB 3.27Å; W915-S919 WeakPolarHBondContact O-CB 3.47Å; W915-S919 PolarHBondContact O-N 3.02Å; W915-S919 PolarHBondContact O-OG 3.42Å; W915-Q951 HydrophobicContact CH2-CB 4.37Å; W915-Q951 HydrophobicContact CZ2-CB 3.94Å; W915-V952 HydrophobicContact CH2-CG2 3.94Å; W915-V952 HydrophobicContact CZ3-CG2 4.43Å; W915-L955 HydrophobicContact CH2-CD1 3.27Å; W915-L955 HydrophobicContact CZ2-CD1 3.85Å; W915-L955 HydrophobicContact CZ3-CD1 3.73Å; W915-P997 HydrophobicContact CZ2-CB 4.09Å; W915-P997 PolarHBondContact NE1-O 2.88Å; W915-F1082 HydrophobicContact CB-CB 4.45Å; W915-F1082 HydrophobicContact CB-CD2 4.38Å; W915-F1082 HydrophobicContact CB-CG 4.28Å; W915-F1082 AromaticContact CD1-CD2 3.5Å; W915-F1082 VanDerWaalsContact CD1-CD2 3.5Å; W915-F1082 AromaticContact CD1-CE2 3.77Å; W915-F1082 HydrophobicContact CG-CD2 4.07Å; W915-F1082 HydrophobicContact CG-CG 4.38Å; W915-T1084 HydrophobicContact CD2-CG2 4Å; W915-T1084 HydrophobicContact CE3-CG2 3.65Å; W915-T1084 HydrophobicContact CH2-CG2 4.48Å; W915-T1084 HydrophobicContact CZ3-CG2 3.9Å |
| 916 | H | 97.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 6% | 0.056 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.7 | -50.2 | 176.1 | -64.2 | -9.6 | 0 | 0 | 0 | 111.1 | V881 R912 L913 S919 M1054 | V881-H916 HydrophobicContact CB-CB 4.47Å; V881-H916 HydrophobicContact CG1-CB 4.24Å; V881-H916 HydrophobicContact CG2-CB 4.06Å; R912-H916 WeakPolarHBondContact O-CB 3.26Å; R912-H916 PolarHBondContact O-CD2 3.38Å; R912-H916 PolarHBondContact O-N 3.31Å; R912-H916 PolarHBondContact O-ND1 2.89Å; L913-H916 PolarHBondContact O-N 2.94Å; H916-S919 PolarHBondContact O-OG 3.47Å; H916-M1054 WeakPolarHBondContact CE1-CE 3.4Å; H916-M1054 VanDerWaalsContact ND1-CE 3.33Å; H916-M1054 WeakPolarHBondContact ND1-CE 3.43Å |
| 917 | L | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65 | -46.3 | 176.8 | -66.2 | 174.3 | 0 | 0 | 0 | 111.6 | V881 L884 L913 S919 E920 F930 I933 L934 | V881-L917 HydrophobicContact CG1-CD2 3.95Å; L884-L917 HydrophobicContact CD1-CD2 4.33Å; L913-L917 HydrophobicContact CD1-CD1 3.74Å; L913-L917 HydrophobicContact CD1-CG 3.91Å; L913-L917 HydrophobicContact CD2-CD1 4.42Å; L913-L917 HydrophobicContact CG-CD1 3.83Å; L913-L917 HydrophobicContact CG-CG 4.34Å; L913-L917 WeakPolarHBondContact O-CG 3.34Å; L913-L917 PolarHBondContact O-N 3.48Å; L917-S919 VanDerWaalsContact C-N 3.33Å; L917-S919 PolarHBondContact O-N 2.81Å; L917-E920 PolarHBondContact O-N 3.03Å; L917-F930 HydrophobicContact CB-CB 4.37Å; L917-F930 HydrophobicContact CD2-CB 4.11Å; L917-F930 HydrophobicContact CD2-CD1 3.57Å; L917-F930 HydrophobicContact CD2-CD2 4.03Å; L917-F930 HydrophobicContact CD2-CE1 3.91Å; L917-F930 HydrophobicContact CD2-CE2 4.34Å; L917-F930 HydrophobicContact CD2-CG 3.64Å; L917-F930 HydrophobicContact CD2-CZ 4.28Å; L917-I933 HydrophobicContact CD1-CB 3.99Å; L917-I933 HydrophobicContact CD1-CG2 3.62Å; L917-L934 HydrophobicContact CB-CD1 3.99Å; L917-L934 HydrophobicContact CB-CD2 4.01Å; L917-L934 HydrophobicContact CB-CG 3.91Å; L917-L934 HydrophobicContact CD1-CD2 4.01Å; L917-L934 HydrophobicContact CD1-CG 3.97Å |
| 918 | R | 95.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 11% | 0.113 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | -176.6 | -177.1 | 167.7 | 176.5 | 85 | 1.4 | 112.5 | S122 C123 F914 W915 E920 L921 L934 | S122-R918 PolarHBondContact O-NH1 3.45Å; S122-R918 PolarHBondContact O-NH2 3.22Å; C123-R918 PolarHBondContact O-NH1 3.16Å; F914-R918 WeakPolarHBondContact O-CB 3.39Å; F914-R918 PolarHBondContact O-N 3.18Å; W915-R918 HydrophobicContact CE3-CB 4.4Å; W915-R918 HydrophobicContact CZ3-CG 4.43Å; W915-R918 PolarHBondContact O-N 3.29Å; R918-E920 PolarHBondContact O-N 3.35Å; R918-E920 VanDerWaalsContact O-N 3.12Å; R918-L921 HydrophobicContact CB-CD1 4.35Å; R918-L921 HydrophobicContact CG-CD1 4.02Å; R918-L921 WeakPolarHBondContact O-CG 3.37Å; R918-L921 PolarHBondContact O-N 2.78Å; R918-L934 HydrophobicContact CB-CD1 4.4Å |
| 919 | S | 95.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.7 | -24.1 | 179.8 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | W915 H916 L917 H922 A1083 G1085 | W915-S919 VanDerWaalsContact O-CB 3.27Å; W915-S919 WeakPolarHBondContact O-CB 3.47Å; W915-S919 PolarHBondContact O-N 3.02Å; W915-S919 PolarHBondContact O-OG 3.42Å; H916-S919 PolarHBondContact O-OG 3.47Å; L917-S919 VanDerWaalsContact C-N 3.33Å; L917-S919 PolarHBondContact O-N 2.81Å; S919-H922 PolarHBondContact O-CE1 3.26Å; S919-H922 VanDerWaalsContact O-CE1 3.24Å; S919-H922 PolarHBondContact O-ND1 3.26Å; S919-A1083 WeakPolarHBondContact CB-O 3.24Å; S919-G1085 CarbonylContact O-C 3.54Å |
| 920 | E | 93.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 6.8 | -175.5 | -64.9 | -158.5 | -141.9 | 0 | 0 | 114.4 | Q882 K885 L917 R918 H922 L923 F930 R1051 | Q882-E920 PolarHBondContact NE2-OE1 2.95Å; K885-E920 WeakPolarHBondContact CE-OE2 3.12Å; K885-E920 IonicContact NZ-OE1 2.74Å; K885-E920 IonicContact NZ-OE2 3.26Å; K885-E920 PolarHBondContact NZ-OE2 3.35Å; L917-E920 PolarHBondContact O-N 3.03Å; R918-E920 PolarHBondContact O-N 3.35Å; R918-E920 VanDerWaalsContact O-N 3.12Å; E920-H922 PolarHBondContact O-N 3.35Å; E920-L923 HydrophobicContact CB-CD1 4.27Å; E920-L923 WeakPolarHBondContact O-CB 3.26Å; E920-L923 PolarHBondContact O-N 2.6Å; E920-L923 WeakPolarHBondContact OE2-CD1 3.49Å; E920-F930 HydrophobicContact CB-CD2 4.08Å; E920-F930 HydrophobicContact CB-CE2 3.79Å; E920-R1051 IonicContact OE2-NH1 3.58Å |
| 921 | L | 91.7 | Very high | 92.4 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 9% | 0.089 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.2 | 177 | -68.1 | 175.2 | 0 | 0 | 0 | 114.3 | T124 R918 R927 F930 S931 L934 | T124-L921 WeakPolarHBondContact O-CD1 3.21Å; R918-L921 HydrophobicContact CB-CD1 4.35Å; R918-L921 HydrophobicContact CG-CD1 4.02Å; R918-L921 WeakPolarHBondContact O-CG 3.37Å; R918-L921 PolarHBondContact O-N 2.78Å; L921-R927 HydrophobicContact CB-CG 4.42Å; L921-R927 HydrophobicContact CD2-CG 4.24Å; L921-R927 WeakPolarHBondContact O-CD 3.34Å; L921-R927 VanDerWaalsContact O-CG 3.28Å; L921-R927 WeakPolarHBondContact O-CG 3.28Å; L921-F930 HydrophobicContact CD2-CB 3.87Å; L921-S931 WeakPolarHBondContact CD2-OG 3.14Å; L921-L934 HydrophobicContact CD1-CD1 4.01Å; L921-L934 HydrophobicContact CD2-CD1 4.25Å; L921-L934 HydrophobicContact CG-CD1 4.43Å |
| 922 | H | 88.3 | Confident | 92.4 | Very high | 56 Ų | 56 | 21.9 Ų | 21.9 | 26% | 0.259 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.9 | 172.7 | 66.1 | -87.2 | 0 | 0 | 0 | 112.7 | S919 E920 P924 Y1086 | S919-H922 PolarHBondContact O-CE1 3.26Å; S919-H922 VanDerWaalsContact O-CE1 3.24Å; S919-H922 PolarHBondContact O-ND1 3.26Å; E920-H922 PolarHBondContact O-N 3.35Å; H922-P924 WeakPolarHBondContact O-CD 3.38Å; H922-Y1086 HydrophobicContact CB-CD2 4.27Å; H922-Y1086 HydrophobicContact CB-CG 4.25Å; H922-Y1086 AromaticContact CD2-CD2 3.25Å; H922-Y1086 WeakPolarHBondContact CD2-CD2 3.41Å; H922-Y1086 AromaticContact CD2-CE2 3.8Å; H922-Y1086 AromaticContact CE1-CD2 3.77Å; H922-Y1086 AromaticContact CG-CD2 3.54Å; H922-Y1086 AromaticContact CG-CG 3.95Å; H922-Y1086 AromaticContact ND1-CD2 3.84Å; H922-Y1086 AromaticContact NE2-CD2 3.42Å; H922-Y1086 WeakPolarHBondContact NE2-CD2 3.45Å; H922-Y1086 AromaticContact NE2-CE2 3.92Å |
| 923 | L | 86.4 | Confident | 92.4 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -76.1 | 107.8 | 175 | -62.7 | 178.8 | 0 | 0 | 0 | 109.8 | E920 D925 M926 R927 | E920-L923 HydrophobicContact CB-CD1 4.27Å; E920-L923 WeakPolarHBondContact O-CB 3.26Å; E920-L923 PolarHBondContact O-N 2.6Å; E920-L923 WeakPolarHBondContact OE2-CD1 3.49Å; L923-D925 VanDerWaalsContact C-N 3.32Å; L923-D925 PolarHBondContact O-N 2.99Å; L923-M926 HydrophobicContact CB-CB 4.07Å; L923-M926 HydrophobicContact CB-CG 4.4Å; L923-M926 HydrophobicContact CD1-CG 4.42Å; L923-M926 PolarHBondContact O-N 3.32Å; L923-R927 WeakPolarHBondContact O-CB 3.39Å; L923-R927 PolarHBondContact O-N 2.99Å |
| 924 | P | 82.4 | Confident | 92.4 | Very high | 76 Ų | 76 | 18.5 Ų | 18.5 | 49% | 0.494 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -60.7 | -38.1 | -168.5 | -25.6 | 36.7 | 0 | 0 | 0 | 114 | W602 H922 | W602-P924 HydrophobicContact CE3-CB 4.07Å; W602-P924 HydrophobicContact CH2-CB 4.33Å; W602-P924 WeakPolarHBondContact CH2-O 3.49Å; W602-P924 VanDerWaalsContact CZ3-C 3.46Å; W602-P924 HydrophobicContact CZ3-CB 3.44Å; W602-P924 VanDerWaalsContact CZ3-CB 3.44Å; H922-P924 WeakPolarHBondContact O-CD 3.38Å |
| 925 | D | 81 | Confident | 92.3 | Very high | 15 Ų | 15 | 18.5 Ų | 18.5 | 8% | 0.08 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -76.4 | -25.4 | -177.3 | 61.3 | -40.9 | 0 | 0 | 0 | 113.4 | W580 W602 T619 L923 | W580-D925 HydrophobicContact CH2-CB 4.29Å; W580-D925 HydrophobicContact CZ2-CB 4.39Å; W602-D925 HydrophobicContact CD2-CB 4.15Å; W602-D925 HydrophobicContact CE3-CB 4.29Å; W602-D925 HydrophobicContact CH2-CB 4.44Å; W602-D925 HydrophobicContact CZ2-CB 4.29Å; W602-D925 HydrophobicContact CZ3-CB 4.45Å; T619-D925 WeakPolarHBondContact CB-O 3.08Å; T619-D925 HydrophobicContact CG2-CB 3.62Å; L923-D925 VanDerWaalsContact C-N 3.32Å; L923-D925 PolarHBondContact O-N 2.99Å |
| 926 | M | 85.7 | Confident | 92.2 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 3% | 0.034 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -93.9 | -20.9 | 176.2 | -65.1 | -61.8 | 107.2 | 0 | 0 | 113.4 | K885 L923 L928 R929 F930 | K885-M926 HydrophobicContact CB-SD 4.13Å; K885-M926 HydrophobicContact CG-CG 4.45Å; K885-M926 HydrophobicContact CG-SD 3.85Å; L923-M926 HydrophobicContact CB-CB 4.07Å; L923-M926 HydrophobicContact CB-CG 4.4Å; L923-M926 HydrophobicContact CD1-CG 4.42Å; L923-M926 PolarHBondContact O-N 3.32Å; M926-L928 PolarHBondContact O-N 2.8Å; M926-R929 PolarHBondContact O-N 3.29Å; M926-R929 VanDerWaalsContact O-N 3.1Å; M926-F930 HydrophobicContact CB-CD2 4.42Å; M926-F930 HydrophobicContact CB-CE2 4.32Å; M926-F930 PolarHBondContact O-N 3.07Å |
| 927 | R | 89.2 | Confident | 92.2 | Very high | 104 Ų | 104 | 18 Ų | 18 | 39% | 0.392 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -51.1 | -49.6 | -172.6 | -163.7 | -177.3 | 172.4 | 179.4 | -3.6 | 112.6 | G125 I126 L921 L923 R929 F930 S931 | G125-R927 PolarHBondContact O-NH2 2.99Å; I126-R927 HydrophobicContact CD1-CG 3.86Å; I126-R927 HydrophobicContact CG1-CG 3.96Å; L921-R927 HydrophobicContact CB-CG 4.42Å; L921-R927 HydrophobicContact CD2-CG 4.24Å; L921-R927 WeakPolarHBondContact O-CD 3.34Å; L921-R927 VanDerWaalsContact O-CG 3.28Å; L921-R927 WeakPolarHBondContact O-CG 3.28Å; L923-R927 WeakPolarHBondContact O-CB 3.39Å; L923-R927 PolarHBondContact O-N 2.99Å; R927-R929 PolarHBondContact O-N 2.82Å; R927-F930 PolarHBondContact O-N 3.19Å; R927-S931 WeakPolarHBondContact O-CB 3.28Å; R927-S931 PolarHBondContact O-N 2.79Å; R927-S931 PolarHBondContact O-OG 3.23Å |
| 928 | L | 89.1 | Confident | 92 | Very high | 35 Ų | 35 | 18 Ų | 18 | 18% | 0.183 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | -179.4 | -177 | 61.4 | 0 | 0 | 0 | 112.2 | I126 A134 V141 L621 M926 F930 S931 L932 | I126-L928 HydrophobicContact CD1-CD1 4.41Å; A134-L928 HydrophobicContact CB-CD2 4.4Å; V141-L928 HydrophobicContact CG1-CD2 4.39Å; V141-L928 HydrophobicContact CG2-CD2 3.82Å; L621-L928 HydrophobicContact CD1-CB 4.2Å; L621-L928 HydrophobicContact CD1-CD2 3.71Å; L621-L928 HydrophobicContact CD1-CG 4.29Å; L621-L928 HydrophobicContact CD2-CD2 4.49Å; M926-L928 PolarHBondContact O-N 2.8Å; L928-F930 PolarHBondContact O-N 3.13Å; L928-S931 PolarHBondContact O-N 3.1Å; L928-L932 HydrophobicContact CD1-CD1 4.43Å; L928-L932 HydrophobicContact CD1-CG 4.26Å; L928-L932 HydrophobicContact CG-CD1 4.2Å; L928-L932 HydrophobicContact CG-CG 4.47Å; L928-L932 VanDerWaalsContact O-CG 3.31Å; L928-L932 WeakPolarHBondContact O-CG 3.26Å; L928-L932 PolarHBondContact O-N 2.79Å |
| 929 | R | 92.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 3% | 0.03 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.2 | -51.7 | 179.4 | 179.2 | 175.6 | -68.6 | -164.1 | -4.5 | 110.6 | L884 E887 L890 M926 R927 L932 I933 | L884-R929 PolarHBondContact O-NH1 3.4Å; E887-R929 VanDerWaalsContact O-CZ 3.31Å; E887-R929 PolarHBondContact O-NH1 3.38Å; E887-R929 PolarHBondContact O-NH2 3.44Å; L890-R929 HydrophobicContact CD2-CB 3.72Å; L890-R929 HydrophobicContact CD2-CG 3.9Å; M926-R929 PolarHBondContact O-N 3.29Å; M926-R929 VanDerWaalsContact O-N 3.1Å; R927-R929 PolarHBondContact O-N 2.82Å; R929-L932 PolarHBondContact O-N 2.85Å; R929-I933 HydrophobicContact CG-CD1 4.47Å; R929-I933 WeakPolarHBondContact O-CG1 3.42Å; R929-I933 PolarHBondContact O-N 3.24Å |
| 930 | F | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.2 | -36.2 | -178.8 | -70 | -2.3 | 0 | 0 | 0 | 112.2 | V881 L884 K885 L917 E920 L921 M926 R927 L928 I933 L934 | V881-F930 HydrophobicContact CG1-CZ 4.45Å; L884-F930 HydrophobicContact CB-CE1 4.28Å; K885-F930 HydrophobicContact CG-CZ 4.16Å; L917-F930 HydrophobicContact CB-CB 4.37Å; L917-F930 HydrophobicContact CD2-CB 4.11Å; L917-F930 HydrophobicContact CD2-CD1 3.57Å; L917-F930 HydrophobicContact CD2-CD2 4.03Å; L917-F930 HydrophobicContact CD2-CE1 3.91Å; L917-F930 HydrophobicContact CD2-CE2 4.34Å; L917-F930 HydrophobicContact CD2-CG 3.64Å; L917-F930 HydrophobicContact CD2-CZ 4.28Å; E920-F930 HydrophobicContact CB-CD2 4.08Å; E920-F930 HydrophobicContact CB-CE2 3.79Å; L921-F930 HydrophobicContact CD2-CB 3.87Å; M926-F930 HydrophobicContact CB-CD2 4.42Å; M926-F930 HydrophobicContact CB-CE2 4.32Å; M926-F930 PolarHBondContact O-N 3.07Å; R927-F930 PolarHBondContact O-N 3.19Å; L928-F930 PolarHBondContact O-N 3.13Å; F930-I933 PolarHBondContact O-N 2.95Å; F930-L934 WeakPolarHBondContact O-CB 3.38Å; F930-L934 WeakPolarHBondContact O-CG 3.36Å; F930-L934 PolarHBondContact O-N 3.39Å |
| 931 | S | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.2 | -32.7 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | T124 I126 L921 R927 L928 E935 | T124-S931 PolarHBondContact O-OG 2.78Å; I126-S931 VanDerWaalsContact CD1-CB 3.46Å; I126-S931 WeakPolarHBondContact CD1-OG 3.23Å; I126-S931 VanDerWaalsContact CG1-OG 3.31Å; I126-S931 WeakPolarHBondContact CG1-OG 3.42Å; L921-S931 WeakPolarHBondContact CD2-OG 3.14Å; R927-S931 WeakPolarHBondContact O-CB 3.28Å; R927-S931 PolarHBondContact O-N 2.79Å; R927-S931 PolarHBondContact O-OG 3.23Å; L928-S931 PolarHBondContact O-N 3.1Å; S931-E935 VanDerWaalsContact O-CB 3.32Å; S931-E935 WeakPolarHBondContact O-CB 3.44Å; S931-E935 PolarHBondContact O-N 2.69Å |
| 932 | L | 95 | Very high | 91.2 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 173.3 | -73.2 | 170.3 | 0 | 0 | 0 | 111.7 | I131 V141 R145 L148 L890 L928 R929 E935 A936 | I131-L932 HydrophobicContact CG2-CD2 3.94Å; V141-L932 HydrophobicContact CG1-CD1 4.28Å; R145-L932 HydrophobicContact CB-CD2 4.02Å; R145-L932 HydrophobicContact CG-CD2 4.14Å; L148-L932 HydrophobicContact CD1-CB 4.38Å; L890-L932 HydrophobicContact CD1-CD1 3.94Å; L890-L932 HydrophobicContact CD2-CD1 4.35Å; L928-L932 HydrophobicContact CD1-CD1 4.43Å; L928-L932 HydrophobicContact CD1-CG 4.26Å; L928-L932 HydrophobicContact CG-CD1 4.2Å; L928-L932 HydrophobicContact CG-CG 4.47Å; L928-L932 VanDerWaalsContact O-CG 3.31Å; L928-L932 WeakPolarHBondContact O-CG 3.26Å; L928-L932 PolarHBondContact O-N 2.79Å; R929-L932 PolarHBondContact O-N 2.85Å; L932-E935 PolarHBondContact O-N 2.98Å; L932-A936 PolarHBondContact O-N 3.23Å |
| 933 | I | 97.7 | Very high | 91 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.015 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.1 | -45.5 | 176.2 | -57.6 | 171.5 | 0 | 0 | 0 | 110.1 | L148 L884 T895 L917 R929 F930 A936 F937 | L148-I933 HydrophobicContact CD1-CG1 4.28Å; L884-I933 HydrophobicContact CD1-CD1 3.93Å; T895-I933 HydrophobicContact CG2-CD1 3.7Å; T895-I933 HydrophobicContact CG2-CG1 3.59Å; L917-I933 HydrophobicContact CD1-CB 3.99Å; L917-I933 HydrophobicContact CD1-CG2 3.62Å; R929-I933 HydrophobicContact CG-CD1 4.47Å; R929-I933 WeakPolarHBondContact O-CG1 3.42Å; R929-I933 PolarHBondContact O-N 3.24Å; F930-I933 PolarHBondContact O-N 2.95Å; I933-A936 PolarHBondContact O-N 3.34Å; I933-F937 WeakPolarHBondContact O-CB 3.47Å; I933-F937 PolarHBondContact O-N 2.96Å |
| 934 | L | 97.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.4 | -75.6 | 173.2 | 0 | 0 | 0 | 112 | T124 F914 L917 R918 L921 F930 A936 F937 C938 | T124-L934 HydrophobicContact CG2-CB 3.88Å; F914-L934 HydrophobicContact CD2-CD2 3.69Å; F914-L934 HydrophobicContact CE2-CD2 4.23Å; F914-L934 HydrophobicContact CG-CD2 4.35Å; L917-L934 HydrophobicContact CB-CD1 3.99Å; L917-L934 HydrophobicContact CB-CD2 4.01Å; L917-L934 HydrophobicContact CB-CG 3.91Å; L917-L934 HydrophobicContact CD1-CD2 4.01Å; L917-L934 HydrophobicContact CD1-CG 3.97Å; R918-L934 HydrophobicContact CB-CD1 4.4Å; L921-L934 HydrophobicContact CD1-CD1 4.01Å; L921-L934 HydrophobicContact CD2-CD1 4.25Å; L921-L934 HydrophobicContact CG-CD1 4.43Å; F930-L934 WeakPolarHBondContact O-CB 3.38Å; F930-L934 WeakPolarHBondContact O-CG 3.36Å; F930-L934 PolarHBondContact O-N 3.39Å; L934-A936 PolarHBondContact O-N 2.6Å; L934-F937 PolarHBondContact O-N 3.3Å; L934-C938 VanDerWaalsContact O-CB 3.22Å; L934-C938 WeakPolarHBondContact O-CB 2.88Å; L934-C938 PolarHBondContact O-N 3.26Å; L934-C938 PolarHBondContact O-SG 3.23Å |
| 935 | E | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.1 | -51 | 174.9 | 178.5 | -176 | -165.2 | 0 | 0 | 109.8 | I120 T124 H128 R145 S931 L932 F937 C938 R939 | I120-E935 HydrophobicContact CG2-CB 4.37Å; I120-E935 HydrophobicContact CG2-CG 4.13Å; T124-E935 HydrophobicContact CG2-CB 4.25Å; H128-E935 IonicContact CE1-OE1 3.75Å; H128-E935 IonicContact ND1-OE1 2.83Å; R145-E935 IonicContact CZ-OE1 3.36Å; R145-E935 IonicContact CZ-OE2 3.15Å; R145-E935 IonicContact NE-OE1 3.08Å; R145-E935 PolarHBondContact NE-OE1 3.48Å; R145-E935 IonicContact NE-OE2 2.69Å; R145-E935 PolarHBondContact NE-OE2 3.01Å; R145-E935 IonicContact NH2-OE1 3.62Å; R145-E935 PolarHBondContact NH2-OE1 3Å; R145-E935 IonicContact NH2-OE2 2.73Å; S931-E935 VanDerWaalsContact O-CB 3.32Å; S931-E935 WeakPolarHBondContact O-CB 3.44Å; S931-E935 PolarHBondContact O-N 2.69Å; L932-E935 PolarHBondContact O-N 2.98Å; E935-F937 PolarHBondContact O-N 2.95Å; E935-C938 PolarHBondContact O-N 3.21Å; E935-R939 WeakPolarHBondContact O-CB 3.11Å; E935-R939 WeakPolarHBondContact O-CG 3.06Å; E935-R939 PolarHBondContact O-N 2.77Å; E935-R939 IonicContact OE1-CZ 3.36Å; E935-R939 IonicContact OE1-NE 3.84Å; E935-R939 PolarHBondContact OE1-NE 2.96Å; E935-R939 IonicContact OE1-NH2 3.25Å; E935-R939 PolarHBondContact OE1-NH2 3.33Å |
| 936 | A | 95.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L148 L149 A152 L899 L932 I933 L934 R939 G940 | L148-A936 HydrophobicContact CB-CB 3.67Å; L149-A936 HydrophobicContact CD2-CB 4.36Å; A152-A936 WeakPolarHBondContact CB-O 3.37Å; L899-A936 HydrophobicContact CD1-CB 4.26Å; L899-A936 HydrophobicContact CD2-CB 3.72Å; L932-A936 PolarHBondContact O-N 3.23Å; I933-A936 PolarHBondContact O-N 3.34Å; L934-A936 PolarHBondContact O-N 2.6Å; A936-R939 PolarHBondContact O-N 3.12Å; A936-G940 PolarHBondContact O-N 2.59Å |
| 937 | F | 97.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 174.8 | 175.4 | -103.3 | 0 | 0 | 0 | 111.7 | L899 A902 L903 F914 I933 L934 E935 R939 G940 C941 M944 L948 | L899-F937 HydrophobicContact CD1-CB 3.84Å; A902-F937 HydrophobicContact CB-CD2 4.09Å; A902-F937 HydrophobicContact CB-CE2 4.09Å; L903-F937 HydrophobicContact CD2-CD2 3.8Å; L903-F937 HydrophobicContact CD2-CE2 4.22Å; L903-F937 HydrophobicContact CG-CD2 4.26Å; F914-F937 HydrophobicContact CB-CE1 4.09Å; F914-F937 HydrophobicContact CD2-CD1 4.21Å; F914-F937 HydrophobicContact CD2-CE1 4.13Å; I933-F937 WeakPolarHBondContact O-CB 3.47Å; I933-F937 PolarHBondContact O-N 2.96Å; L934-F937 PolarHBondContact O-N 3.3Å; E935-F937 PolarHBondContact O-N 2.95Å; F937-R939 VanDerWaalsContact C-N 3.28Å; F937-R939 PolarHBondContact O-N 3.22Å; F937-G940 CarbonylContact O-C 3.52Å; F937-G940 PolarHBondContact O-N 3.46Å; F937-C941 HydrophobicContact CD2-CB 4.49Å; F937-C941 HydrophobicContact CE1-CB 4.23Å; F937-C941 HydrophobicContact CE2-CB 4.09Å; F937-C941 HydrophobicContact CZ-CB 3.96Å; F937-C941 VanDerWaalsContact O-CB 3.26Å; F937-C941 WeakPolarHBondContact O-CB 3.17Å; F937-C941 PolarHBondContact O-N 3.27Å; F937-C941 PolarHBondContact O-SG 2.92Å; F937-M944 HydrophobicContact CZ-CE 4.21Å; F937-M944 HydrophobicContact CZ-SD 4.18Å; F937-L948 HydrophobicContact CE1-CD1 3.71Å; F937-L948 HydrophobicContact CZ-CD1 4.46Å |
| 938 | C | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -33.4 | -179.9 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | I120 L934 E935 L945 | I120-C938 HydrophobicContact CG1-CB 3.85Å; L934-C938 VanDerWaalsContact O-CB 3.22Å; L934-C938 WeakPolarHBondContact O-CB 2.88Å; L934-C938 PolarHBondContact O-N 3.26Å; L934-C938 PolarHBondContact O-SG 3.23Å; E935-C938 PolarHBondContact O-N 3.21Å; C938-L945 HydrophobicContact CB-CD1 3.79Å |
| 939 | R | 89.9 | Confident | 91.9 | Very high | 33 Ų | 33 | 9.5 Ų | 9.5 | 13% | 0.125 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -76 | -30 | 173.6 | -71.2 | 179 | -174.5 | -67 | -2.6 | 112.8 | N117 I120 H128 L149 E935 A936 F937 | N117-R939 PolarHBondContact OD1-NH1 3.33Å; N117-R939 PolarHBondContact OD1-NH2 2.66Å; I120-R939 HydrophobicContact CD1-CG 3.49Å; I120-R939 VanDerWaalsContact CD1-CG 3.49Å; H128-R939 PolarHBondContact CE1-NH2 2.98Å; H128-R939 PolarHBondContact ND1-NH2 3.41Å; L149-R939 HydrophobicContact CD2-CB 4.43Å; L149-R939 VanDerWaalsContact CD2-CD 3.4Å; L149-R939 HydrophobicContact CD2-CG 4.49Å; E935-R939 WeakPolarHBondContact O-CB 3.11Å; E935-R939 WeakPolarHBondContact O-CG 3.06Å; E935-R939 PolarHBondContact O-N 2.77Å; E935-R939 IonicContact OE1-CZ 3.36Å; E935-R939 IonicContact OE1-NE 3.84Å; E935-R939 PolarHBondContact OE1-NE 2.96Å; E935-R939 IonicContact OE1-NH2 3.25Å; E935-R939 PolarHBondContact OE1-NH2 3.33Å; A936-R939 PolarHBondContact O-N 3.12Å; F937-R939 VanDerWaalsContact C-N 3.28Å; F937-R939 PolarHBondContact O-N 3.22Å |
| 940 | G | 91 | Very high | 91.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -89.1 | -21.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H155 T156 A936 F937 G942 | H155-G940 PolarHBondContact CE1-O 3.28Å; H155-G940 PolarHBondContact ND1-O 3.27Å; T156-G940 PolarHBondContact OG1-O 3.14Å; A936-G940 PolarHBondContact O-N 2.59Å; F937-G940 CarbonylContact O-C 3.52Å; F937-G940 PolarHBondContact O-N 3.46Å; G940-G942 PolarHBondContact O-N 3.43Å |
| 941 | C | 91.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -80.9 | -1 | -172.3 | 72.1 | 0 | 0 | 0 | 0 | 114 | Y170 L903 F937 M944 | Y170-C941 WeakPolarHBondContact CE1-O 3.39Å; L903-C941 HydrophobicContact CD2-CB 4.25Å; F937-C941 HydrophobicContact CD2-CB 4.49Å; F937-C941 HydrophobicContact CE1-CB 4.23Å; F937-C941 HydrophobicContact CE2-CB 4.09Å; F937-C941 HydrophobicContact CZ-CB 3.96Å; F937-C941 VanDerWaalsContact O-CB 3.26Å; F937-C941 WeakPolarHBondContact O-CB 3.17Å; F937-C941 PolarHBondContact O-N 3.27Å; F937-C941 PolarHBondContact O-SG 2.92Å; C941-M944 HydrophobicContact CB-CB 4.19Å; C941-M944 HydrophobicContact CB-SD 4.34Å; C941-M944 WeakPolarHBondContact O-CB 3.07Å; C941-M944 PolarHBondContact O-N 3.49Å |
| 942 | G | 86.7 | Confident | 91.6 | Very high | 30 Ų | 30 | 12.2 Ų | 12.2 | 31% | 0.309 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -135.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G940 M944 L945 | G940-G942 PolarHBondContact O-N 3.43Å; G942-M944 PolarHBondContact O-N 3.07Å; G942-M944 VanDerWaalsContact O-N 3.09Å; G942-L945 PolarHBondContact O-N 3.36Å |
| 943 | P | 83.2 | Confident | 91.3 | Very high | 29 Ų | 29 | 14.5 Ų | 14.5 | 19% | 0.188 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.8 | -177 | -21.4 | 32.8 | 0 | 0 | 0 | 114.8 | L167 L171 L306 L945 V946 | L167-P943 HydrophobicContact CD1-CG 4.01Å; L167-P943 HydrophobicContact CD2-CG 4.16Å; L171-P943 HydrophobicContact CD1-CB 4.36Å; L306-P943 HydrophobicContact CD1-CB 3.67Å; L306-P943 HydrophobicContact CD1-CG 4.08Å; L306-P943 HydrophobicContact CD2-CB 3.57Å; L306-P943 HydrophobicContact CG-CB 4.25Å; P943-L945 PolarHBondContact O-N 2.94Å; P943-V946 PolarHBondContact O-N 3.26Å |
| 944 | M | 90.2 | Very high | 91 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.9 | -28.2 | 175.3 | -176 | -177.9 | 175.6 | 0 | 0 | 112.3 | L171 P906 L911 F937 C941 G942 V946 L947 L948 L1000 | L171-M944 HydrophobicContact CD2-CB 3.94Å; P906-M944 HydrophobicContact CB-CE 4.42Å; P906-M944 HydrophobicContact CB-SD 3.54Å; P906-M944 VanDerWaalsContact CB-SD 3.54Å; L911-M944 HydrophobicContact CB-CE 4.18Å; L911-M944 HydrophobicContact CD1-CE 4.37Å; F937-M944 HydrophobicContact CZ-CE 4.21Å; F937-M944 HydrophobicContact CZ-SD 4.18Å; C941-M944 HydrophobicContact CB-CB 4.19Å; C941-M944 HydrophobicContact CB-SD 4.34Å; C941-M944 WeakPolarHBondContact O-CB 3.07Å; C941-M944 PolarHBondContact O-N 3.49Å; G942-M944 PolarHBondContact O-N 3.07Å; G942-M944 VanDerWaalsContact O-N 3.09Å; M944-V946 PolarHBondContact O-N 3.05Å; M944-L947 WeakPolarHBondContact O-CB 3.41Å; M944-L947 PolarHBondContact O-N 2.75Å; M944-L948 HydrophobicContact CE-CD1 3.94Å; M944-L948 HydrophobicContact CE-CD2 3.96Å; M944-L948 HydrophobicContact CE-CG 4.15Å; M944-L948 HydrophobicContact CG-CD1 4.01Å; M944-L948 HydrophobicContact CG-CG 4.1Å; M944-L948 WeakPolarHBondContact O-CG 3.36Å; M944-L948 PolarHBondContact O-N 3.12Å; M944-L948 HydrophobicContact SD-CD1 4.37Å; M944-L1000 HydrophobicContact CE-CD1 3.45Å; M944-L1000 VanDerWaalsContact CE-CD1 3.45Å; M944-L1000 HydrophobicContact CG-CD1 4.01Å; M944-L1000 HydrophobicContact SD-CD1 4.06Å |
| 945 | L | 90.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -53.8 | -40.7 | 176.8 | 174.9 | 58.5 | 0 | 0 | 0 | 112.3 | Q116 A119 I120 C938 G942 P943 L947 L948 S949 | Q116-L945 HydrophobicContact CG-CD2 3.8Å; A119-L945 HydrophobicContact CB-CD1 4.4Å; A119-L945 HydrophobicContact CB-CD2 4.33Å; A119-L945 HydrophobicContact CB-CG 4.29Å; I120-L945 HydrophobicContact CG1-CD1 4.42Å; I120-L945 HydrophobicContact CG1-CD2 3.98Å; C938-L945 HydrophobicContact CB-CD1 3.79Å; G942-L945 PolarHBondContact O-N 3.36Å; P943-L945 PolarHBondContact O-N 2.94Å; L945-L947 VanDerWaalsContact C-N 3.31Å; L945-L947 PolarHBondContact O-N 3.44Å; L945-L948 PolarHBondContact O-N 3.05Å; L945-S949 WeakPolarHBondContact O-CB 3.21Å; L945-S949 PolarHBondContact O-N 2.89Å |
| 946 | V | 84 | Confident | 90.7 | Very high | 33 Ų | 33 | 17.9 Ų | 17.9 | 20% | 0.2 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | Y309 P943 M944 S949 R950 | Y309-V946 HydrophobicContact CD1-CB 4.37Å; Y309-V946 HydrophobicContact CD1-CG1 3.52Å; Y309-V946 HydrophobicContact CD1-CG2 3.88Å; Y309-V946 HydrophobicContact CD2-CG1 3.65Å; Y309-V946 HydrophobicContact CE1-CB 4.47Å; Y309-V946 HydrophobicContact CE1-CG1 3.83Å; Y309-V946 HydrophobicContact CE1-CG2 3.91Å; Y309-V946 HydrophobicContact CE2-CG1 4.01Å; Y309-V946 HydrophobicContact CG-CG1 3.39Å; P943-V946 PolarHBondContact O-N 3.26Å; M944-V946 PolarHBondContact O-N 3.05Å; V946-S949 PolarHBondContact O-N 2.79Å; V946-R950 WeakPolarHBondContact O-CG 3.49Å; V946-R950 PolarHBondContact O-N 2.66Å; V946-R950 VanDerWaalsContact O-N 3.14Å |
| 947 | L | 88.8 | Confident | 90.4 | Very high | 33 Ų | 33 | 22 Ų | 22 | 17% | 0.173 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 178.9 | -56.5 | -176.4 | 0 | 0 | 0 | 111.3 | M944 L945 R950 Q951 P995 L1000 | M944-L947 WeakPolarHBondContact O-CB 3.41Å; M944-L947 PolarHBondContact O-N 2.75Å; L945-L947 VanDerWaalsContact C-N 3.31Å; L945-L947 PolarHBondContact O-N 3.44Å; L947-R950 PolarHBondContact O-N 3.34Å; L947-Q951 WeakPolarHBondContact O-CG 3.23Å; L947-Q951 PolarHBondContact O-N 2.88Å; L947-Q951 VanDerWaalsContact O-N 3.12Å; L947-P995 HydrophobicContact CB-CG 3.86Å; L947-P995 HydrophobicContact CD1-CG 4.4Å; L947-P995 HydrophobicContact CD2-CG 4.15Å; L947-P995 HydrophobicContact CG-CG 4.35Å; L947-L1000 HydrophobicContact CB-CD2 4.49Å |
| 948 | L | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 178.3 | -67.5 | 172.1 | 0 | 0 | 0 | 111.7 | L911 F914 F937 M944 L945 R950 Q951 V952 | L911-L948 HydrophobicContact CD1-CD2 3.81Å; F914-L948 HydrophobicContact CD1-CD2 3.93Å; F914-L948 HydrophobicContact CD2-CD1 3.93Å; F914-L948 HydrophobicContact CE1-CB 4.47Å; F914-L948 HydrophobicContact CE1-CD2 4.15Å; F914-L948 HydrophobicContact CE2-CB 4.36Å; F914-L948 HydrophobicContact CE2-CD1 4.14Å; F914-L948 HydrophobicContact CG-CD1 4.22Å; F914-L948 HydrophobicContact CG-CD2 4.16Å; F914-L948 HydrophobicContact CZ-CB 4.16Å; F937-L948 HydrophobicContact CE1-CD1 3.71Å; F937-L948 HydrophobicContact CZ-CD1 4.46Å; M944-L948 HydrophobicContact CE-CD1 3.94Å; M944-L948 HydrophobicContact CE-CD2 3.96Å; M944-L948 HydrophobicContact CE-CG 4.15Å; M944-L948 HydrophobicContact CG-CD1 4.01Å; M944-L948 HydrophobicContact CG-CG 4.1Å; M944-L948 WeakPolarHBondContact O-CG 3.36Å; M944-L948 PolarHBondContact O-N 3.12Å; M944-L948 HydrophobicContact SD-CD1 4.37Å; L945-L948 PolarHBondContact O-N 3.05Å; L948-R950 VanDerWaalsContact C-N 3.28Å; L948-R950 PolarHBondContact O-N 3.29Å; L948-Q951 WeakPolarHBondContact O-CB 3.44Å; L948-Q951 PolarHBondContact O-N 2.87Å; L948-V952 WeakPolarHBondContact O-CG2 3.41Å; L948-V952 PolarHBondContact O-N 2.87Å |
| 949 | S | 87.5 | Confident | 90.3 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | L945 V946 V952 T953 | L945-S949 WeakPolarHBondContact O-CB 3.21Å; L945-S949 PolarHBondContact O-N 2.89Å; V946-S949 PolarHBondContact O-N 2.79Å; S949-V952 PolarHBondContact O-N 2.98Å; S949-T953 PolarHBondContact O-N 2.94Å; S949-T953 PolarHBondContact O-OG1 3.14Å; S949-T953 VanDerWaalsContact O-OG1 3.11Å |
| 950 | R | 88.6 | Confident | 90.3 | Very high | 65 Ų | 65 | 26.6 Ų | 26.6 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 175.7 | -71.5 | -172.8 | 69.3 | -152.2 | -6.5 | 112.2 | V946 L947 L948 V952 T953 A954 Q992 W993 | V946-R950 WeakPolarHBondContact O-CG 3.49Å; V946-R950 PolarHBondContact O-N 2.66Å; V946-R950 VanDerWaalsContact O-N 3.14Å; L947-R950 PolarHBondContact O-N 3.34Å; L948-R950 VanDerWaalsContact C-N 3.28Å; L948-R950 PolarHBondContact O-N 3.29Å; R950-V952 VanDerWaalsContact C-N 3.32Å; R950-V952 PolarHBondContact O-N 2.84Å; R950-T953 PolarHBondContact O-N 3.47Å; R950-A954 WeakPolarHBondContact O-CB 3.35Å; R950-A954 PolarHBondContact O-N 3.2Å; R950-Q992 PolarHBondContact NH2-O 2.99Å; R950-W993 PolarHBondContact NH1-O 2.97Å; R950-W993 PolarHBondContact NH2-O 3.5Å |
| 951 | Q | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 173.7 | -68.5 | 176 | -11.7 | 0 | 0 | 111.7 | W915 L947 L948 A954 L955 P995 S996 P997 | W915-Q951 HydrophobicContact CH2-CB 4.37Å; W915-Q951 HydrophobicContact CZ2-CB 3.94Å; L947-Q951 WeakPolarHBondContact O-CG 3.23Å; L947-Q951 PolarHBondContact O-N 2.88Å; L947-Q951 VanDerWaalsContact O-N 3.12Å; L948-Q951 WeakPolarHBondContact O-CB 3.44Å; L948-Q951 PolarHBondContact O-N 2.87Å; Q951-A954 PolarHBondContact O-N 3.03Å; Q951-L955 WeakPolarHBondContact O-CB 3.34Å; Q951-L955 WeakPolarHBondContact O-CG 3.18Å; Q951-L955 PolarHBondContact O-N 2.84Å; Q951-P995 WeakPolarHBondContact CG-O 3.45Å; Q951-P995 PolarHBondContact NE2-O 3.48Å; Q951-S996 VanDerWaalsContact NE2-C 3.29Å; Q951-S996 PolarHBondContact NE2-O 2.98Å; Q951-P997 HydrophobicContact CB-CG 4.44Å; Q951-P997 HydrophobicContact CG-CG 4.34Å |
| 952 | V | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | F914 W915 L948 S949 R950 A954 L955 N956 | F914-V952 HydrophobicContact CE1-CG2 4.06Å; F914-V952 HydrophobicContact CZ-CG2 3.81Å; W915-V952 HydrophobicContact CH2-CG2 3.94Å; W915-V952 HydrophobicContact CZ3-CG2 4.43Å; L948-V952 WeakPolarHBondContact O-CG2 3.41Å; L948-V952 PolarHBondContact O-N 2.87Å; S949-V952 PolarHBondContact O-N 2.98Å; R950-V952 VanDerWaalsContact C-N 3.32Å; R950-V952 PolarHBondContact O-N 2.84Å; V952-A954 PolarHBondContact O-N 2.91Å; V952-L955 PolarHBondContact O-N 3.22Å; V952-N956 PolarHBondContact O-N 2.94Å; V952-N956 PolarHBondContact O-OD1 2.99Å |
| 953 | T | 87.2 | Confident | 90.9 | Very high | 53 Ų | 53 | 28.4 Ų | 28.4 | 33% | 0.325 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58 | -47.1 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | S949 R950 L955 N956 R957 D990 | S949-T953 PolarHBondContact O-N 2.94Å; S949-T953 PolarHBondContact O-OG1 3.14Å; S949-T953 VanDerWaalsContact O-OG1 3.11Å; R950-T953 PolarHBondContact O-N 3.47Å; T953-L955 VanDerWaalsContact C-N 3.35Å; T953-L955 PolarHBondContact O-N 3.15Å; T953-N956 PolarHBondContact O-N 2.96Å; T953-R957 PolarHBondContact O-N 3.37Å; T953-D990 HydrophobicContact CG2-CB 4.41Å |
| 954 | A | 92.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 5% | 0.05 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R950 Q951 V952 R957 L958 D990 L991 L994 | R950-A954 WeakPolarHBondContact O-CB 3.35Å; R950-A954 PolarHBondContact O-N 3.2Å; Q951-A954 PolarHBondContact O-N 3.03Å; V952-A954 PolarHBondContact O-N 2.91Å; A954-R957 WeakPolarHBondContact O-CB 3.43Å; A954-R957 PolarHBondContact O-N 3.44Å; A954-L958 WeakPolarHBondContact O-CG 3.37Å; A954-L958 PolarHBondContact O-N 3.26Å; A954-L958 VanDerWaalsContact O-N 3.08Å; A954-D990 WeakPolarHBondContact CB-O 3.35Å; A954-L991 HydrophobicContact CB-CD2 3.93Å; A954-L994 HydrophobicContact CB-CD1 3.57Å |
| 955 | L | 95.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.7 | -39.6 | -179.6 | -72.5 | 164.7 | 0 | 0 | 0 | 112.5 | W915 Q951 V952 T953 R957 L958 E959 P997 F1044 T1084 M1088 I1090 | W915-L955 HydrophobicContact CH2-CD1 3.27Å; W915-L955 HydrophobicContact CZ2-CD1 3.85Å; W915-L955 HydrophobicContact CZ3-CD1 3.73Å; Q951-L955 WeakPolarHBondContact O-CB 3.34Å; Q951-L955 WeakPolarHBondContact O-CG 3.18Å; Q951-L955 PolarHBondContact O-N 2.84Å; V952-L955 PolarHBondContact O-N 3.22Å; T953-L955 VanDerWaalsContact C-N 3.35Å; T953-L955 PolarHBondContact O-N 3.15Å; L955-R957 VanDerWaalsContact C-N 3.28Å; L955-R957 PolarHBondContact O-N 3.34Å; L955-L958 PolarHBondContact O-N 2.94Å; L955-E959 PolarHBondContact O-N 2.94Å; L955-P997 HydrophobicContact CD1-CB 4.44Å; L955-P997 HydrophobicContact CD1-CG 4.22Å; L955-F1044 HydrophobicContact CD2-CD2 3.89Å; L955-F1044 HydrophobicContact CD2-CE2 3.87Å; L955-T1084 HydrophobicContact CD1-CG2 3.8Å; L955-M1088 HydrophobicContact CB-CE 4.23Å; L955-I1090 HydrophobicContact CD2-CD1 4.42Å |
| 956 | N | 90.1 | Very high | 91.5 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 35% | 0.348 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.2 | -37.7 | 174.2 | -66.7 | -10.1 | 0 | 0 | 0 | 111.1 | V952 T953 E959 A960 | V952-N956 PolarHBondContact O-N 2.94Å; V952-N956 PolarHBondContact O-OD1 2.99Å; T953-N956 PolarHBondContact O-N 2.96Å; N956-E959 PolarHBondContact O-N 3.35Å; N956-A960 PolarHBondContact O-N 2.99Å |
| 957 | R | 90.4 | Very high | 91.8 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 33% | 0.328 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.3 | -46 | 173.9 | -175.4 | 69.5 | 63.9 | -178.1 | 1.5 | 111.3 | T953 A954 L955 A960 L961 T987 D990 | T953-R957 PolarHBondContact O-N 3.37Å; A954-R957 WeakPolarHBondContact O-CB 3.43Å; A954-R957 PolarHBondContact O-N 3.44Å; L955-R957 VanDerWaalsContact C-N 3.28Å; L955-R957 PolarHBondContact O-N 3.34Å; R957-A960 PolarHBondContact O-N 2.89Å; R957-L961 WeakPolarHBondContact O-CB 3.33Å; R957-L961 PolarHBondContact O-N 3.5Å; R957-T987 HydrophobicContact CG-CG2 4.11Å; R957-D990 IonicContact CZ-OD2 3.95Å; R957-D990 VanDerWaalsContact CZ-OD2 3.26Å; R957-D990 IonicContact NE-OD2 2.61Å; R957-D990 PolarHBondContact NE-OD2 2.87Å; R957-D990 IonicContact NH2-OD2 3.13Å; R957-D990 PolarHBondContact NH2-OD2 3.41Å |
| 958 | L | 95.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | 177.7 | -66.8 | 174 | 0 | 0 | 0 | 112.7 | A954 L955 L961 S962 L991 L1022 L1024 F1044 | A954-L958 WeakPolarHBondContact O-CG 3.37Å; A954-L958 PolarHBondContact O-N 3.26Å; A954-L958 VanDerWaalsContact O-N 3.08Å; L955-L958 PolarHBondContact O-N 2.94Å; L958-L961 PolarHBondContact O-N 3.26Å; L958-S962 VanDerWaalsContact O-CB 3.29Å; L958-S962 WeakPolarHBondContact O-CB 3.32Å; L958-S962 PolarHBondContact O-N 2.98Å; L958-L991 HydrophobicContact CD1-CD2 4.25Å; L958-L991 HydrophobicContact CD2-CD1 3.96Å; L958-L991 HydrophobicContact CD2-CD2 4.02Å; L958-L991 HydrophobicContact CG-CD2 3.91Å; L958-L1022 HydrophobicContact CD2-CD1 4.12Å; L958-L1024 HydrophobicContact CD1-CD1 3.59Å; L958-L1024 HydrophobicContact CD2-CD1 3.8Å; L958-L1024 HydrophobicContact CD2-CD2 4.41Å; L958-L1024 HydrophobicContact CG-CD1 4.37Å; L958-F1044 HydrophobicContact CB-CD1 3.89Å; L958-F1044 HydrophobicContact CB-CD2 3.9Å; L958-F1044 HydrophobicContact CB-CE1 3.79Å; L958-F1044 HydrophobicContact CB-CE2 3.78Å; L958-F1044 HydrophobicContact CB-CG 3.94Å; L958-F1044 HydrophobicContact CB-CZ 3.74Å; L958-F1044 HydrophobicContact CD1-CB 4.16Å; L958-F1044 HydrophobicContact CD1-CD2 3.87Å; L958-F1044 HydrophobicContact CD1-CE2 4.44Å; L958-F1044 HydrophobicContact CD1-CG 4.01Å; L958-F1044 WeakPolarHBondContact O-CE1 3.33Å |
| 959 | E | 94.6 | Very high | 91.7 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 174.4 | -173.8 | -166.6 | 171.2 | 0 | 0 | 111.2 | L955 N956 L961 S962 T963 F1044 M1088 | L955-E959 PolarHBondContact O-N 2.94Å; N956-E959 PolarHBondContact O-N 3.35Å; E959-L961 VanDerWaalsContact C-N 3.34Å; E959-L961 PolarHBondContact O-N 3.21Å; E959-S962 PolarHBondContact O-N 3.14Å; E959-T963 WeakPolarHBondContact O-CB 3.29Å; E959-T963 PolarHBondContact O-N 3.31Å; E959-T963 PolarHBondContact O-OG1 3.01Å; E959-F1044 HydrophobicContact CB-CZ 4.22Å; E959-M1088 HydrophobicContact CB-CE 4.38Å; E959-M1088 HydrophobicContact CB-SD 4.11Å; E959-M1088 HydrophobicContact CG-SD 3.91Å |
| 960 | A | 89.9 | Confident | 91.9 | Very high | 54 Ų | 54 | 46 Ų | 46 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N956 R957 T963 R964 | N956-A960 PolarHBondContact O-N 2.99Å; R957-A960 PolarHBondContact O-N 2.89Å; A960-T963 PolarHBondContact O-N 2.81Å; A960-R964 WeakPolarHBondContact O-CG 3.37Å; A960-R964 PolarHBondContact O-N 3.37Å |
| 961 | L | 93.7 | Very high | 92 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 176 | 179.4 | 54.7 | 0 | 0 | 0 | 111.7 | R957 L958 E959 T963 R964 L965 F978 E981 I982 L1022 | R957-L961 WeakPolarHBondContact O-CB 3.33Å; R957-L961 PolarHBondContact O-N 3.5Å; L958-L961 PolarHBondContact O-N 3.26Å; E959-L961 VanDerWaalsContact C-N 3.34Å; E959-L961 PolarHBondContact O-N 3.21Å; L961-T963 VanDerWaalsContact C-N 3.28Å; L961-T963 PolarHBondContact O-N 2.88Å; L961-R964 PolarHBondContact O-N 3.35Å; L961-R964 VanDerWaalsContact O-N 3.16Å; L961-L965 HydrophobicContact CD1-CD1 4.19Å; L961-L965 HydrophobicContact CD1-CG 4.23Å; L961-L965 HydrophobicContact CG-CD1 4.03Å; L961-L965 WeakPolarHBondContact O-CG 3.26Å; L961-L965 PolarHBondContact O-N 2.88Å; L961-F978 HydrophobicContact CD2-CD2 3.73Å; L961-F978 HydrophobicContact CD2-CE2 3.97Å; L961-F978 HydrophobicContact CG-CD2 4.35Å; L961-E981 HydrophobicContact CD1-CB 3.64Å; L961-E981 HydrophobicContact CD1-CG 3.81Å; L961-E981 HydrophobicContact CD2-CB 4.36Å; L961-I982 HydrophobicContact CD2-CG2 3.82Å; L961-L1022 HydrophobicContact CD2-CD1 4.45Å |
| 962 | S | 94.7 | Very high | 92 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 112 | L958 E959 R964 L965 K966 H1046 | L958-S962 VanDerWaalsContact O-CB 3.29Å; L958-S962 WeakPolarHBondContact O-CB 3.32Å; L958-S962 PolarHBondContact O-N 2.98Å; E959-S962 PolarHBondContact O-N 3.14Å; S962-R964 PolarHBondContact O-N 2.86Å; S962-L965 PolarHBondContact O-N 2.94Å; S962-K966 VanDerWaalsContact O-CG 3.29Å; S962-K966 WeakPolarHBondContact O-CG 3.47Å; S962-K966 PolarHBondContact O-N 3.48Å; S962-H1046 PolarHBondContact OG-ND1 2.88Å |
| 963 | T | 93.2 | Very high | 92 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | E959 A960 L961 K966 E967 H1046 | E959-T963 WeakPolarHBondContact O-CB 3.29Å; E959-T963 PolarHBondContact O-N 3.31Å; E959-T963 PolarHBondContact O-OG1 3.01Å; A960-T963 PolarHBondContact O-N 2.81Å; L961-T963 VanDerWaalsContact C-N 3.28Å; L961-T963 PolarHBondContact O-N 2.88Å; T963-K966 PolarHBondContact O-N 3.27Å; T963-E967 PolarHBondContact O-N 3.42Å; T963-H1046 PolarHBondContact OG1-CE1 2.92Å; T963-H1046 VanDerWaalsContact OG1-CE1 3.27Å |
| 964 | R | 90.4 | Very high | 92.4 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 177.2 | -69.3 | 170 | 63 | -167.7 | -1.5 | 112.4 | A960 L961 S962 K966 E967 L977 E981 | A960-R964 WeakPolarHBondContact O-CG 3.37Å; A960-R964 PolarHBondContact O-N 3.37Å; L961-R964 PolarHBondContact O-N 3.35Å; L961-R964 VanDerWaalsContact O-N 3.16Å; S962-R964 PolarHBondContact O-N 2.86Å; R964-K966 PolarHBondContact O-N 3.44Å; R964-E967 WeakPolarHBondContact O-CB 3.27Å; R964-E967 PolarHBondContact O-N 2.95Å; R964-E967 VanDerWaalsContact O-N 3.09Å; R964-L977 HydrophobicContact CB-CD2 4.34Å; R964-E981 IonicContact CZ-OE1 3.33Å; R964-E981 IonicContact NH1-OE1 2.91Å; R964-E981 PolarHBondContact NH1-OE1 3.25Å; R964-E981 IonicContact NH1-OE2 3.6Å; R964-E981 PolarHBondContact NH1-OE2 2.94Å; R964-E981 VanDerWaalsContact NH1-OE2 3.12Å; R964-E981 IonicContact NH2-OE1 3.48Å; R964-E981 PolarHBondContact NH2-OE1 2.96Å |
| 965 | L | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -30.5 | 177.5 | -67.7 | 171.2 | 0 | 0 | 0 | 112.6 | L961 S962 E967 L968 Q974 L977 F978 V1014 K1020 L1022 | L961-L965 HydrophobicContact CD1-CD1 4.19Å; L961-L965 HydrophobicContact CD1-CG 4.23Å; L961-L965 HydrophobicContact CG-CD1 4.03Å; L961-L965 WeakPolarHBondContact O-CG 3.26Å; L961-L965 PolarHBondContact O-N 2.88Å; S962-L965 PolarHBondContact O-N 2.94Å; L965-E967 VanDerWaalsContact C-N 3.33Å; L965-L968 PolarHBondContact O-N 3.41Å; L965-Q974 HydrophobicContact CD2-CB 4.15Å; L965-Q974 WeakPolarHBondContact CD2-O 3.44Å; L965-L977 HydrophobicContact CD2-CB 4.16Å; L965-L977 HydrophobicContact CD2-CD2 4.12Å; L965-L977 HydrophobicContact CD2-CG 4.25Å; L965-F978 HydrophobicContact CD1-CB 4.12Å; L965-F978 HydrophobicContact CD1-CD2 4Å; L965-F978 HydrophobicContact CD1-CG 4.43Å; L965-F978 HydrophobicContact CD2-CB 4.03Å; L965-V1014 HydrophobicContact CD1-CG2 4.1Å; L965-K1020 PolarHBondContact O-NZ 2.91Å; L965-L1022 HydrophobicContact CD1-CD2 3.59Å |
| 966 | K | 91.7 | Very high | 92.5 | Very high | 67 Ų | 67 | 63 Ų | 63 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.7 | -27.8 | 176 | -73.5 | 169.6 | -177.4 | 179.5 | 0 | 113.1 | S962 T963 R964 L968 K1019 K1020 H1046 | S962-K966 VanDerWaalsContact O-CG 3.29Å; S962-K966 WeakPolarHBondContact O-CG 3.47Å; S962-K966 PolarHBondContact O-N 3.48Å; T963-K966 PolarHBondContact O-N 3.27Å; R964-K966 PolarHBondContact O-N 3.44Å; K966-L968 VanDerWaalsContact C-N 3.27Å; K966-L968 PolarHBondContact O-N 3.1Å; K966-K1019 WeakPolarHBondContact CE-O 3.44Å; K966-K1020 HydrophobicContact CG-CD 4.24Å; K966-K1020 PolarHBondContact O-NZ 2.9Å; K966-H1046 VanDerWaalsContact CE-O 3.29Å; K966-H1046 WeakPolarHBondContact CE-O 3.38Å; K966-H1046 PolarHBondContact NZ-CE1 3.47Å; K966-H1046 VanDerWaalsContact NZ-CG 3.31Å; K966-H1046 PolarHBondContact NZ-ND1 3.39Å; K966-H1046 PolarHBondContact NZ-O 2.77Å |
| 967 | E | 90.9 | Very high | 92.7 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69 | -25 | 175.9 | -62 | -177.7 | 175 | 0 | 0 | 112.4 | R9 T963 R964 L965 | R9-E967 IonicContact NH2-OE1 3.57Å; R9-E967 PolarHBondContact NH2-OE1 3.23Å; R9-E967 IonicContact NH2-OE2 3.72Å; R9-E967 PolarHBondContact NH2-OE2 3.18Å; T963-E967 PolarHBondContact O-N 3.42Å; R964-E967 WeakPolarHBondContact O-CB 3.27Å; R964-E967 PolarHBondContact O-N 2.95Å; R964-E967 VanDerWaalsContact O-N 3.09Å; L965-E967 VanDerWaalsContact C-N 3.33Å |
| 968 | L | 91.5 | Very high | 93 | Very high | 47 Ų | 47 | 57.1 Ų | 57.1 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | trans | -81.8 | 139.7 | 178.6 | -61 | 177.3 | 0 | 0 | 0 | 112.2 | L965 K966 E973 Q974 L977 K1020 | L965-L968 PolarHBondContact O-N 3.41Å; K966-L968 VanDerWaalsContact C-N 3.27Å; K966-L968 PolarHBondContact O-N 3.1Å; L968-E973 HydrophobicContact CD1-CB 4.2Å; L968-Q974 HydrophobicContact CB-CG 3.78Å; L968-Q974 HydrophobicContact CD1-CG 4.29Å; L968-Q974 PolarHBondContact O-NE2 3.35Å; L968-L977 HydrophobicContact CD1-CB 4.13Å; L968-L977 HydrophobicContact CD1-CD2 3.71Å; L968-K1020 PolarHBondContact O-NZ 3.39Å | ||
| 969 | T | 87.8 | Confident | 93 | Very high | 135 Ų | 135 | 62.1 Ų | 62.1 | 83% | 0.828 | 31% | 0.313 | S | S | * | . | trans | -90.5 | -37.8 | 177.3 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | Q974 | T969-Q974 PolarHBondContact O-NE2 2.99Š| ||
| 970 | S | 92.6 | Very high | 93 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | trans | -76.6 | 132.2 | -178.6 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | D972 E973 Q974 | S970-D972 VanDerWaalsContact C-N 3.31Å; S970-D972 PolarHBondContact OG-N 2.95Å; S970-E973 PolarHBondContact OG-N 3.34Å; S970-Q974 VanDerWaalsContact O-CD 3.26Å; S970-Q974 WeakPolarHBondContact O-CG 3.23Å; S970-Q974 PolarHBondContact O-N 3.47Å; S970-Q974 VanDerWaalsContact O-N 3.12Å; S970-Q974 PolarHBondContact O-NE2 3.04Å; S970-Q974 VanDerWaalsContact O-NE2 3.11Å | ||
| 971 | E | 90.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.8 | -33.7 | 174.1 | -70.3 | -165.1 | -171 | 0 | 0 | 112.5 | Q974 R975 R1016 | E971-Q974 WeakPolarHBondContact O-CB 3.38Å; E971-Q974 PolarHBondContact O-N 2.79Å; E971-R975 WeakPolarHBondContact O-CG 3.45Å; E971-R975 PolarHBondContact O-N 3.24Å; E971-R975 IonicContact OE2-CZ 3.52Å; E971-R975 IonicContact OE2-NH1 3.12Å; E971-R975 PolarHBondContact OE2-NH1 3.32Å; E971-R975 VanDerWaalsContact OE2-NH1 3.16Å; E971-R975 IonicContact OE2-NH2 2.77Å; E971-R975 PolarHBondContact OE2-NH2 3.17Å; E971-R1016 IonicContact OE2-CZ 2.73Å; E971-R1016 IonicContact OE2-NE 3.83Å; E971-R1016 PolarHBondContact OE2-NE 2.8Å |
| 972 | D | 93.1 | Very high | 93.2 | Very high | 118 Ų | 118 | 60.9 Ų | 60.9 | 63% | 0.631 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -73 | -41 | -178.1 | -65.9 | -29.1 | 0 | 0 | 0 | 110.6 | S970 Q974 R975 E976 | S970-D972 VanDerWaalsContact C-N 3.31Å; S970-D972 PolarHBondContact OG-N 2.95Å; D972-Q974 VanDerWaalsContact C-N 3.28Å; D972-Q974 PolarHBondContact O-N 3.06Å; D972-R975 PolarHBondContact O-N 2.79Å; D972-R975 IonicContact OD1-NH1 3.31Å; D972-E976 WeakPolarHBondContact O-CB 3.49Å; D972-E976 PolarHBondContact O-N 3.44Å |
| 973 | E | 94.2 | Very high | 93.2 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 171.9 | -65.8 | 174.2 | 174.6 | 0 | 0 | 111.6 | L968 S970 L977 | L968-E973 HydrophobicContact CD1-CB 4.2Å; S970-E973 PolarHBondContact OG-N 3.34Å; E973-L977 VanDerWaalsContact O-CB 3.32Å; E973-L977 WeakPolarHBondContact O-CB 3.2Å; E973-L977 PolarHBondContact O-N 3.4Å |
| 974 | Q | 94 | Very high | 93 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.3 | -71.7 | 159.4 | 35.2 | 0 | 0 | 111.3 | L965 L968 T969 S970 E971 D972 E976 F978 K1020 | L965-Q974 HydrophobicContact CD2-CB 4.15Å; L965-Q974 WeakPolarHBondContact CD2-O 3.44Å; L968-Q974 HydrophobicContact CB-CG 3.78Å; L968-Q974 HydrophobicContact CD1-CG 4.29Å; L968-Q974 PolarHBondContact O-NE2 3.35Å; T969-Q974 PolarHBondContact O-NE2 2.99Å; S970-Q974 VanDerWaalsContact O-CD 3.26Å; S970-Q974 WeakPolarHBondContact O-CG 3.23Å; S970-Q974 PolarHBondContact O-N 3.47Å; S970-Q974 VanDerWaalsContact O-N 3.12Å; S970-Q974 PolarHBondContact O-NE2 3.04Å; S970-Q974 VanDerWaalsContact O-NE2 3.11Å; E971-Q974 WeakPolarHBondContact O-CB 3.38Å; E971-Q974 PolarHBondContact O-N 2.79Å; D972-Q974 VanDerWaalsContact C-N 3.28Å; D972-Q974 PolarHBondContact O-N 3.06Å; Q974-E976 VanDerWaalsContact C-N 3.34Å; Q974-F978 WeakPolarHBondContact O-CB 3.41Å; Q974-F978 PolarHBondContact O-N 2.92Å; Q974-K1020 VanDerWaalsContact CD-CE 3.48Å; Q974-K1020 VanDerWaalsContact NE2-CE 3.28Å; Q974-K1020 VanDerWaalsContact OE1-CE 3.3Å |
| 975 | R | 95.4 | Very high | 92.8 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 15% | 0.151 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 179.4 | -72.4 | -176.1 | -173.3 | 97.1 | 15.1 | 111.9 | E971 D972 R979 D1013 R1016 | E971-R975 WeakPolarHBondContact O-CG 3.45Å; E971-R975 PolarHBondContact O-N 3.24Å; E971-R975 IonicContact OE2-CZ 3.52Å; E971-R975 IonicContact OE2-NH1 3.12Å; E971-R975 PolarHBondContact OE2-NH1 3.32Å; E971-R975 VanDerWaalsContact OE2-NH1 3.16Å; E971-R975 IonicContact OE2-NH2 2.77Å; E971-R975 PolarHBondContact OE2-NH2 3.17Å; D972-R975 PolarHBondContact O-N 2.79Å; D972-R975 IonicContact OD1-NH1 3.31Å; R975-R979 WeakPolarHBondContact O-CB 3.46Å; R975-R979 VanDerWaalsContact O-CG 3.3Å; R975-R979 WeakPolarHBondContact O-CG 3.38Å; R975-R979 PolarHBondContact O-N 2.8Å; R975-D1013 IonicContact NE-OD1 3.15Å; R975-D1013 PolarHBondContact NE-OD1 2.81Å; R975-R1016 VanDerWaalsContact NH2-NE 3.14Å |
| 976 | E | 95.3 | Very high | 92.1 | Very high | 129 Ų | 129 | 65.7 Ų | 65.7 | 60% | 0.603 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.4 | -51.9 | 177.4 | -169.9 | 59.8 | -157.3 | 0 | 0 | 111 | D972 Q974 F978 R979 E980 | D972-E976 WeakPolarHBondContact O-CB 3.49Å; D972-E976 PolarHBondContact O-N 3.44Å; Q974-E976 VanDerWaalsContact C-N 3.34Å; E976-F978 VanDerWaalsContact C-N 3.3Å; E976-F978 PolarHBondContact O-N 3.23Å; E976-R979 PolarHBondContact O-N 2.94Å; E976-E980 PolarHBondContact O-N 3.44Å |
| 977 | L | 94.5 | Very high | 91.9 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.9 | 177.7 | 63.3 | 0 | 0 | 0 | 111.6 | R964 L965 L968 E973 R979 E980 E981 | R964-L977 HydrophobicContact CB-CD2 4.34Å; L965-L977 HydrophobicContact CD2-CB 4.16Å; L965-L977 HydrophobicContact CD2-CD2 4.12Å; L965-L977 HydrophobicContact CD2-CG 4.25Å; L968-L977 HydrophobicContact CD1-CB 4.13Å; L968-L977 HydrophobicContact CD1-CD2 3.71Å; E973-L977 VanDerWaalsContact O-CB 3.32Å; E973-L977 WeakPolarHBondContact O-CB 3.2Å; E973-L977 PolarHBondContact O-N 3.4Å; L977-R979 PolarHBondContact O-N 2.83Å; L977-E980 PolarHBondContact O-N 3.19Å; L977-E981 HydrophobicContact CD1-CG 3.8Å; L977-E981 HydrophobicContact CG-CG 4.25Å; L977-E981 WeakPolarHBondContact O-CB 3.38Å; L977-E981 VanDerWaalsContact O-CG 3.31Å; L977-E981 WeakPolarHBondContact O-CG 3.46Å; L977-E981 PolarHBondContact O-N 3.45Å |
| 978 | F | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 177.1 | 175.3 | -112.6 | 0 | 0 | 0 | 111.1 | L961 L965 Q974 E976 E981 I982 C1012 V1014 L1022 L1024 | L961-F978 HydrophobicContact CD2-CD2 3.73Å; L961-F978 HydrophobicContact CD2-CE2 3.97Å; L961-F978 HydrophobicContact CG-CD2 4.35Å; L965-F978 HydrophobicContact CD1-CB 4.12Å; L965-F978 HydrophobicContact CD1-CD2 4Å; L965-F978 HydrophobicContact CD1-CG 4.43Å; L965-F978 HydrophobicContact CD2-CB 4.03Å; Q974-F978 WeakPolarHBondContact O-CB 3.41Å; Q974-F978 PolarHBondContact O-N 2.92Å; E976-F978 VanDerWaalsContact C-N 3.3Å; E976-F978 PolarHBondContact O-N 3.23Å; F978-E981 PolarHBondContact O-N 3.18Å; F978-I982 HydrophobicContact CD1-CD1 4.06Å; F978-I982 HydrophobicContact CD2-CG2 4.05Å; F978-I982 HydrophobicContact CE1-CD1 3.63Å; F978-I982 HydrophobicContact CE2-CD1 4.29Å; F978-I982 HydrophobicContact CE2-CG2 3.69Å; F978-I982 HydrophobicContact CZ-CD1 3.76Å; F978-I982 HydrophobicContact CZ-CG2 4.13Å; F978-I982 VanDerWaalsContact O-CG1 3.27Å; F978-I982 WeakPolarHBondContact O-CG1 3.35Å; F978-I982 WeakPolarHBondContact O-CG2 3.47Å; F978-I982 PolarHBondContact O-N 3.48Å; F978-I982 VanDerWaalsContact O-N 3.08Å; F978-C1012 HydrophobicContact CE1-CB 3.76Å; F978-C1012 HydrophobicContact CZ-CB 4.01Å; F978-V1014 HydrophobicContact CB-CG2 3.64Å; F978-V1014 HydrophobicContact CD1-CG2 3.77Å; F978-V1014 HydrophobicContact CD2-CG2 4.12Å; F978-V1014 HydrophobicContact CE1-CG2 4.46Å; F978-V1014 HydrophobicContact CG-CG2 3.57Å; F978-L1022 HydrophobicContact CD2-CD2 4.04Å; F978-L1022 HydrophobicContact CE2-CB 4.26Å; F978-L1022 HydrophobicContact CE2-CD1 4.12Å; F978-L1022 HydrophobicContact CE2-CD2 3.95Å; F978-L1022 HydrophobicContact CE2-CG 4.33Å; F978-L1024 HydrophobicContact CE2-CD2 4.33Å; F978-L1024 HydrophobicContact CZ-CD2 3.93Å |
| 979 | R | 95.9 | Very high | 91.6 | Very high | 110 Ų | 110 | 62.2 Ų | 62.2 | 42% | 0.415 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.8 | -76.2 | 176.4 | -178.2 | -124.1 | -4.3 | 112.1 | R975 E976 L977 S983 | R975-R979 WeakPolarHBondContact O-CB 3.46Å; R975-R979 VanDerWaalsContact O-CG 3.3Å; R975-R979 WeakPolarHBondContact O-CG 3.38Å; R975-R979 PolarHBondContact O-N 2.8Å; E976-R979 PolarHBondContact O-N 2.94Å; L977-R979 PolarHBondContact O-N 2.83Å; R979-S983 VanDerWaalsContact O-CB 3.28Å; R979-S983 WeakPolarHBondContact O-CB 3.43Å; R979-S983 PolarHBondContact O-N 3.35Å; R979-S983 VanDerWaalsContact O-N 3.17Å; R979-S983 PolarHBondContact O-OG 3.21Å |
| 980 | E | 94.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.8 | -52.5 | 176.5 | -170.1 | -161.4 | 142.8 | 0 | 0 | 110.6 | E976 L977 S983 R984 | E976-E980 PolarHBondContact O-N 3.44Å; L977-E980 PolarHBondContact O-N 3.19Å; E980-S983 WeakPolarHBondContact O-CB 3.36Å; E980-S983 PolarHBondContact O-N 3.35Å; E980-S983 VanDerWaalsContact O-N 3.15Å; E980-R984 PolarHBondContact O-N 2.69Å; E980-R984 IonicContact OE1-CZ 3.19Å; E980-R984 IonicContact OE1-NE 3.09Å; E980-R984 IonicContact OE1-NH2 2.98Å; E980-R984 PolarHBondContact OE1-NH2 3.09Å |
| 981 | E | 92.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | -174.5 | -74.5 | -71.3 | 159.7 | 0 | 0 | 113.4 | L961 R964 L977 F978 S983 R984 T987 | L961-E981 HydrophobicContact CD1-CB 3.64Å; L961-E981 HydrophobicContact CD1-CG 3.81Å; L961-E981 HydrophobicContact CD2-CB 4.36Å; R964-E981 IonicContact CZ-OE1 3.33Å; R964-E981 IonicContact NH1-OE1 2.91Å; R964-E981 PolarHBondContact NH1-OE1 3.25Å; R964-E981 IonicContact NH1-OE2 3.6Å; R964-E981 PolarHBondContact NH1-OE2 2.94Å; R964-E981 VanDerWaalsContact NH1-OE2 3.12Å; R964-E981 IonicContact NH2-OE1 3.48Å; R964-E981 PolarHBondContact NH2-OE1 2.96Å; L977-E981 HydrophobicContact CD1-CG 3.8Å; L977-E981 HydrophobicContact CG-CG 4.25Å; L977-E981 WeakPolarHBondContact O-CB 3.38Å; L977-E981 VanDerWaalsContact O-CG 3.31Å; L977-E981 WeakPolarHBondContact O-CG 3.46Å; L977-E981 PolarHBondContact O-N 3.45Å; F978-E981 PolarHBondContact O-N 3.18Å; E981-S983 PolarHBondContact O-N 2.81Å; E981-R984 WeakPolarHBondContact O-CB 3.37Å; E981-R984 PolarHBondContact O-N 3.22Å; E981-R984 IonicContact OE1-CZ 2.99Å; E981-R984 IonicContact OE1-NE 3.88Å; E981-R984 IonicContact OE1-NH1 3.51Å; E981-R984 PolarHBondContact OE1-NH1 3.42Å; E981-R984 IonicContact OE1-NH2 3.93Å; E981-R984 PolarHBondContact OE1-NH2 3.38Å; E981-R984 IonicContact OE2-NH1 3.4Å; E981-T987 WeakPolarHBondContact O-CB 3.33Å; E981-T987 WeakPolarHBondContact O-CG2 3.46Å; E981-T987 PolarHBondContact O-OG1 3.08Å |
| 982 | I | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.1 | -13.9 | 176.5 | 70.9 | -174.2 | 0 | 0 | 0 | 113 | L961 F978 Q988 L1007 I1009 C1012 | L961-I982 HydrophobicContact CD2-CG2 3.82Å; F978-I982 HydrophobicContact CD1-CD1 4.06Å; F978-I982 HydrophobicContact CD2-CG2 4.05Å; F978-I982 HydrophobicContact CE1-CD1 3.63Å; F978-I982 HydrophobicContact CE2-CD1 4.29Å; F978-I982 HydrophobicContact CE2-CG2 3.69Å; F978-I982 HydrophobicContact CZ-CD1 3.76Å; F978-I982 HydrophobicContact CZ-CG2 4.13Å; F978-I982 VanDerWaalsContact O-CG1 3.27Å; F978-I982 WeakPolarHBondContact O-CG1 3.35Å; F978-I982 WeakPolarHBondContact O-CG2 3.47Å; F978-I982 PolarHBondContact O-N 3.48Å; F978-I982 VanDerWaalsContact O-N 3.08Å; I982-Q988 WeakPolarHBondContact O-CG 3.49Å; I982-L1007 HydrophobicContact CB-CD2 3.98Å; I982-L1007 HydrophobicContact CD1-CD2 4.38Å; I982-L1007 HydrophobicContact CG1-CD2 4.44Å; I982-I1009 HydrophobicContact CD1-CB 4.45Å; I982-I1009 HydrophobicContact CD1-CG1 4.31Å; I982-I1009 HydrophobicContact CD1-CG2 3.98Å; I982-I1009 HydrophobicContact CG1-CD1 4.46Å; I982-I1009 HydrophobicContact CG1-CG1 4.14Å; I982-I1009 HydrophobicContact CG1-CG2 4.07Å; I982-C1012 HydrophobicContact CD1-CB 3.88Å |
| 983 | S | 94.4 | Very high | 91.7 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -85.5 | -12.6 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 113 | R979 E980 E981 | R979-S983 VanDerWaalsContact O-CB 3.28Å; R979-S983 WeakPolarHBondContact O-CB 3.43Å; R979-S983 PolarHBondContact O-N 3.35Å; R979-S983 VanDerWaalsContact O-N 3.17Å; R979-S983 PolarHBondContact O-OG 3.21Å; E980-S983 WeakPolarHBondContact O-CB 3.36Å; E980-S983 PolarHBondContact O-N 3.35Å; E980-S983 VanDerWaalsContact O-N 3.15Å; E981-S983 PolarHBondContact O-N 2.81Å |
| 984 | R | 89 | Confident | 91.6 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -67 | 140.6 | 177 | -64.8 | -177.6 | 178.3 | -168.4 | -1.6 | 110.6 | E980 E981 E986 T987 Q988 | E980-R984 PolarHBondContact O-N 2.69Å; E980-R984 IonicContact OE1-CZ 3.19Å; E980-R984 IonicContact OE1-NE 3.09Å; E980-R984 IonicContact OE1-NH2 2.98Å; E980-R984 PolarHBondContact OE1-NH2 3.09Å; E981-R984 WeakPolarHBondContact O-CB 3.37Å; E981-R984 PolarHBondContact O-N 3.22Å; E981-R984 IonicContact OE1-CZ 2.99Å; E981-R984 IonicContact OE1-NE 3.88Å; E981-R984 IonicContact OE1-NH1 3.51Å; E981-R984 PolarHBondContact OE1-NH1 3.42Å; E981-R984 IonicContact OE1-NH2 3.93Å; E981-R984 PolarHBondContact OE1-NH2 3.38Å; E981-R984 IonicContact OE2-NH1 3.4Å; R984-E986 VanDerWaalsContact C-N 3.32Å; R984-E986 PolarHBondContact O-N 3.04Å; R984-T987 PolarHBondContact O-N 2.85Å; R984-T987 VanDerWaalsContact O-N 3.15Å; R984-Q988 WeakPolarHBondContact O-CG 3.46Å; R984-Q988 PolarHBondContact O-N 3.04Å |
| 985 | T | 85.8 | Confident | 91.5 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 56% | 0.564 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.7 | -40.9 | -176.7 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | Q988 H989 | T985-Q988 PolarHBondContact O-N 3.09Å; T985-H989 WeakPolarHBondContact O-CB 3.41Å; T985-H989 PolarHBondContact O-N 3.15Å |
| 986 | E | 79.5 | Confident | 91.5 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 176.6 | -61.5 | 131.1 | -122.5 | 0 | 0 | 111.7 | H90 E91 R984 Q988 H989 D990 | H90-E986 IonicContact CD2-OE1 2.86Å; H90-E986 IonicContact CD2-OE2 3.62Å; H90-E986 PolarHBondContact CD2-OE2 3.03Å; H90-E986 IonicContact CE1-OE1 2.7Å; H90-E986 IonicContact NE2-OE1 3.5Å; H90-E986 PolarHBondContact NE2-OE1 3.49Å; H90-E986 IonicContact NE2-OE2 3.2Å; H90-E986 PolarHBondContact NE2-OE2 3.35Å; E91-E986 HydrophobicContact CG-CG 4.15Å; E91-E986 WeakPolarHBondContact OE1-CG 3.5Å; R984-E986 VanDerWaalsContact C-N 3.32Å; R984-E986 PolarHBondContact O-N 3.04Å; E986-Q988 VanDerWaalsContact C-N 3.32Å; E986-Q988 PolarHBondContact O-N 3.11Å; E986-H989 WeakPolarHBondContact O-CB 3.27Å; E986-H989 PolarHBondContact O-N 3.22Å; E986-D990 PolarHBondContact O-N 3.11Å |
| 987 | T | 86.6 | Confident | 91.5 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | R957 E981 R984 H989 D990 L991 | R957-T987 HydrophobicContact CG-CG2 4.11Å; E981-T987 WeakPolarHBondContact O-CB 3.33Å; E981-T987 WeakPolarHBondContact O-CG2 3.46Å; E981-T987 PolarHBondContact O-OG1 3.08Å; R984-T987 PolarHBondContact O-N 2.85Å; R984-T987 VanDerWaalsContact O-N 3.15Å; T987-H989 VanDerWaalsContact C-N 3.34Å; T987-D990 PolarHBondContact O-N 3.22Å; T987-L991 HydrophobicContact CG2-CD1 3.6Å; T987-L991 HydrophobicContact CG2-CG 4.07Å; T987-L991 VanDerWaalsContact O-CB 3.29Å; T987-L991 WeakPolarHBondContact O-CB 3.32Å; T987-L991 VanDerWaalsContact O-CG 3.23Å; T987-L991 WeakPolarHBondContact O-CG 3.4Å; T987-L991 PolarHBondContact O-N 3.2Å |
| 988 | Q | 89.8 | Confident | 91.6 | Very high | 51 Ų | 51 | 40.3 Ų | 40.3 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 174.6 | -72.9 | -173.6 | -25.8 | 0 | 0 | 112.4 | I982 R984 T985 E986 D990 L991 Q992 | I982-Q988 WeakPolarHBondContact O-CG 3.49Å; R984-Q988 WeakPolarHBondContact O-CG 3.46Å; R984-Q988 PolarHBondContact O-N 3.04Å; T985-Q988 PolarHBondContact O-N 3.09Å; E986-Q988 VanDerWaalsContact C-N 3.32Å; E986-Q988 PolarHBondContact O-N 3.11Å; Q988-D990 VanDerWaalsContact C-N 3.34Å; Q988-L991 PolarHBondContact O-N 3.27Å; Q988-Q992 WeakPolarHBondContact O-CB 3.41Å; Q988-Q992 WeakPolarHBondContact O-CG 3.44Å; Q988-Q992 PolarHBondContact O-N 3.33Å; Q988-Q992 PolarHBondContact O-NE2 3.14Å |
| 989 | H | 86.1 | Confident | 91.4 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.4 | 172.1 | -88.8 | 0 | 0 | 0 | 111.7 | T985 E986 T987 | T985-H989 WeakPolarHBondContact O-CB 3.41Å; T985-H989 PolarHBondContact O-N 3.15Å; E986-H989 WeakPolarHBondContact O-CB 3.27Å; E986-H989 PolarHBondContact O-N 3.22Å; T987-H989 VanDerWaalsContact C-N 3.34Å |
| 990 | D | 87.1 | Confident | 91.1 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.2 | -34.1 | 179.5 | -68.8 | -15.4 | 0 | 0 | 0 | 112.9 | T953 A954 R957 E986 T987 Q988 | T953-D990 HydrophobicContact CG2-CB 4.41Å; A954-D990 WeakPolarHBondContact CB-O 3.35Å; R957-D990 IonicContact CZ-OD2 3.95Å; R957-D990 VanDerWaalsContact CZ-OD2 3.26Å; R957-D990 IonicContact NE-OD2 2.61Å; R957-D990 PolarHBondContact NE-OD2 2.87Å; R957-D990 IonicContact NH2-OD2 3.13Å; R957-D990 PolarHBondContact NH2-OD2 3.41Å; E986-D990 PolarHBondContact O-N 3.11Å; T987-D990 PolarHBondContact O-N 3.22Å; Q988-D990 VanDerWaalsContact C-N 3.34Å |
| 991 | L | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -96.8 | -4.5 | -172.6 | -62.8 | -174.2 | 0 | 0 | 0 | 114.8 | A954 L958 T987 Q988 L994 L1007 W1026 | A954-L991 HydrophobicContact CB-CD2 3.93Å; L958-L991 HydrophobicContact CD1-CD2 4.25Å; L958-L991 HydrophobicContact CD2-CD1 3.96Å; L958-L991 HydrophobicContact CD2-CD2 4.02Å; L958-L991 HydrophobicContact CG-CD2 3.91Å; T987-L991 HydrophobicContact CG2-CD1 3.6Å; T987-L991 HydrophobicContact CG2-CG 4.07Å; T987-L991 VanDerWaalsContact O-CB 3.29Å; T987-L991 WeakPolarHBondContact O-CB 3.32Å; T987-L991 VanDerWaalsContact O-CG 3.23Å; T987-L991 WeakPolarHBondContact O-CG 3.4Å; T987-L991 PolarHBondContact O-N 3.2Å; Q988-L991 PolarHBondContact O-N 3.27Å; L991-L994 WeakPolarHBondContact O-CD2 3.36Å; L991-L1007 HydrophobicContact CD1-CD2 4.37Å; L991-W1026 PolarHBondContact O-NE1 3.5Å |
| 992 | Q | 93.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -117.4 | 159.6 | -177.2 | -60.3 | -179.9 | 147.2 | 0 | 0 | 112.7 | R950 Q988 L994 G1005 L1007 | R950-Q992 PolarHBondContact NH2-O 2.99Å; Q988-Q992 WeakPolarHBondContact O-CB 3.41Å; Q988-Q992 WeakPolarHBondContact O-CG 3.44Å; Q988-Q992 PolarHBondContact O-N 3.33Å; Q988-Q992 PolarHBondContact O-NE2 3.14Å; Q992-L994 VanDerWaalsContact C-N 3.31Å; Q992-L994 PolarHBondContact O-N 2.76Å; Q992-G1005 WeakPolarHBondContact CA-O 3.36Å; Q992-G1005 VanDerWaalsContact CB-O 3.31Å; Q992-G1005 WeakPolarHBondContact CB-O 3.47Å; Q992-L1007 HydrophobicContact CG-CB 4.02Å |
| 993 | W | 91.7 | Very high | 90.7 | Very high | 145 Ų | 145 | 38.2 Ų | 38.2 | 55% | 0.549 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 55.1 | 41.2 | 175.8 | -56.3 | 103.8 | 0 | 0 | 0 | 113.9 | R950 L1004 G1005 P1029 | R950-W993 PolarHBondContact NH1-O 2.97Å; R950-W993 PolarHBondContact NH2-O 3.5Å; W993-L1004 CarbonylContact C-O 3.13Å; W993-L1004 WeakPolarHBondContact CA-O 3.22Å; W993-L1004 PolarHBondContact N-O 3.13Å; W993-G1005 PolarHBondContact N-O 2.92Å; W993-P1029 HydrophobicContact CE3-CB 4.23Å; W993-P1029 HydrophobicContact CH2-CB 4Å; W993-P1029 HydrophobicContact CZ3-CB 3.39Å; W993-P1029 HydrophobicContact CZ3-CG 4.15Å |
| 994 | L | 91.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.2 | -178.8 | 74.4 | 165.5 | 0 | 0 | 0 | 111 | A954 L991 Q992 L1004 | A954-L994 HydrophobicContact CB-CD1 3.57Å; L991-L994 WeakPolarHBondContact O-CD2 3.36Å; Q992-L994 VanDerWaalsContact C-N 3.31Å; Q992-L994 PolarHBondContact O-N 2.76Å; L994-L1004 HydrophobicContact CD2-CB 4.09Å; L994-L1004 HydrophobicContact CD2-CD1 4.31Å; L994-L1004 HydrophobicContact CG-CD1 4.47Å; L994-L1004 PolarHBondContact N-O 2.84Å; L994-L1004 WeakPolarHBondContact O-CB 3.34Å; L994-L1004 PolarHBondContact O-N 3.18Å |
| 995 | P | 92 | Very high | 91 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144 | 173.1 | 24.1 | -29.1 | 0 | 0 | 0 | 111.4 | L947 Q951 L1000 E1002 I1003 | L947-P995 HydrophobicContact CB-CG 3.86Å; L947-P995 HydrophobicContact CD1-CG 4.4Å; L947-P995 HydrophobicContact CD2-CG 4.15Å; L947-P995 HydrophobicContact CG-CG 4.35Å; Q951-P995 WeakPolarHBondContact CG-O 3.45Å; Q951-P995 PolarHBondContact NE2-O 3.48Å; P995-L1000 HydrophobicContact CB-CD2 3.78Å; P995-L1000 HydrophobicContact CG-CD2 3.9Å; P995-E1002 CarbonylContact C-O 3.58Å; P995-E1002 WeakPolarHBondContact CA-O 3.17Å; P995-I1003 HydrophobicContact CB-CD1 4.01Å |
| 996 | S | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 134.4 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | Q951 L998 C999 E1002 | Q951-S996 VanDerWaalsContact NE2-C 3.29Å; Q951-S996 PolarHBondContact NE2-O 2.98Å; S996-L998 PolarHBondContact O-N 3.48Å; S996-L998 VanDerWaalsContact O-N 3.14Å; S996-L998 PolarHBondContact OG-N 3.11Å; S996-C999 WeakPolarHBondContact CB-O 3.13Å; S996-C999 CarbonylContact O-C 3.51Å; S996-C999 PolarHBondContact O-N 3.13Å; S996-C999 VanDerWaalsContact O-N 3.12Å; S996-E1002 PolarHBondContact N-O 2.68Å |
| 997 | P | 95.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.6 | 173.6 | -23.9 | 33.5 | 0 | 0 | 0 | 113.4 | W915 Q951 L955 F1082 I1090 | W915-P997 HydrophobicContact CZ2-CB 4.09Å; W915-P997 PolarHBondContact NE1-O 2.88Å; Q951-P997 HydrophobicContact CB-CG 4.44Å; Q951-P997 HydrophobicContact CG-CG 4.34Å; L955-P997 HydrophobicContact CD1-CB 4.44Å; L955-P997 HydrophobicContact CD1-CG 4.22Å; P997-F1082 VanDerWaalsContact O-CD2 3.25Å; P997-F1082 WeakPolarHBondContact O-CD2 3.4Å; P997-F1082 WeakPolarHBondContact O-CE2 3.19Å; P997-I1090 HydrophobicContact CB-CG2 4.22Å; P997-I1090 HydrophobicContact CG-CD1 4.2Å |
| 998 | L | 95.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -27.7 | 178.8 | -62.7 | 176.2 | 0 | 0 | 0 | 113.1 | S996 L1042 F1082 I1090 E1092 | S996-L998 PolarHBondContact O-N 3.48Å; S996-L998 VanDerWaalsContact O-N 3.14Å; S996-L998 PolarHBondContact OG-N 3.11Å; L998-L1042 HydrophobicContact CD1-CD2 3.75Å; L998-F1082 HydrophobicContact CD2-CB 4.11Å; L998-F1082 HydrophobicContact CD2-CD2 3.67Å; L998-F1082 HydrophobicContact CD2-CE2 4.24Å; L998-F1082 HydrophobicContact CD2-CG 3.9Å; L998-I1090 HydrophobicContact CD1-CG2 4.38Å; L998-I1090 HydrophobicContact CD2-CG2 3.69Å; L998-I1090 HydrophobicContact CG-CG2 3.82Å; L998-E1092 HydrophobicContact CD1-CB 3.75Å |
| 999 | C | 92 | Very high | 93.2 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 26% | 0.264 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 116.7 | -174.6 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | S996 S1001 E1002 | S996-C999 WeakPolarHBondContact CB-O 3.13Å; S996-C999 CarbonylContact O-C 3.51Å; S996-C999 PolarHBondContact O-N 3.13Å; S996-C999 VanDerWaalsContact O-N 3.12Å; C999-S1001 PolarHBondContact O-N 2.89Å; C999-S1001 PolarHBondContact SG-OG 3.24Å; C999-E1002 HydrophobicContact CB-CB 4.42Å; C999-E1002 HydrophobicContact CB-CG 4.04Å; C999-E1002 PolarHBondContact O-N 2.77Å; C999-E1002 VanDerWaalsContact O-N 3.13Å |
| 1000 | L | 91 | Very high | 93.7 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -21.3 | -179.5 | -70.9 | -176.4 | 0 | 0 | 0 | 114.2 | L907 L911 M944 L947 P995 E1002 | L907-L1000 HydrophobicContact CD2-CB 4.08Å; L907-L1000 HydrophobicContact CD2-CD1 3.71Å; L907-L1000 HydrophobicContact CD2-CG 4.43Å; L911-L1000 HydrophobicContact CD1-CD2 4.32Å; L911-L1000 HydrophobicContact CD1-CG 4.3Å; L911-L1000 HydrophobicContact CD2-CG 4.22Å; M944-L1000 HydrophobicContact CE-CD1 3.45Å; M944-L1000 VanDerWaalsContact CE-CD1 3.45Å; M944-L1000 HydrophobicContact CG-CD1 4.01Å; M944-L1000 HydrophobicContact SD-CD1 4.06Å; L947-L1000 HydrophobicContact CB-CD2 4.49Å; P995-L1000 HydrophobicContact CB-CD2 3.78Å; P995-L1000 HydrophobicContact CG-CD2 3.9Å; L1000-E1002 PolarHBondContact O-N 3.39Å |
| 1001 | S | 90.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -10.4 | 177.9 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | S261 Q262 C999 | S261-S1001 VanDerWaalsContact OG-CB 3.32Å; S261-S1001 WeakPolarHBondContact OG-CB 3.29Å; S261-S1001 PolarHBondContact OG-OG 2.89Å; Q262-S1001 PolarHBondContact N-O 2.78Å; C999-S1001 PolarHBondContact O-N 2.89Å; C999-S1001 PolarHBondContact SG-OG 3.24Å |
| 1002 | E | 91.7 | Very high | 94.2 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 23% | 0.229 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 104 | 179.9 | -63.8 | -178 | 163.3 | 0 | 0 | 109.8 | P995 S996 C999 L1000 Y1040 | P995-E1002 CarbonylContact C-O 3.58Å; P995-E1002 WeakPolarHBondContact CA-O 3.17Å; S996-E1002 PolarHBondContact N-O 2.68Å; C999-E1002 HydrophobicContact CB-CB 4.42Å; C999-E1002 HydrophobicContact CB-CG 4.04Å; C999-E1002 PolarHBondContact O-N 2.77Å; C999-E1002 VanDerWaalsContact O-N 3.13Å; L1000-E1002 PolarHBondContact O-N 3.39Å; E1002-Y1040 HydrophobicContact CB-CE1 3.93Å; E1002-Y1040 HydrophobicContact CB-CE2 4.39Å; E1002-Y1040 HydrophobicContact CG-CE1 3.83Å |
| 1003 | I | 92.2 | Very high | 94.4 | Very high | 45 Ų | 45 | 38 Ų | 38 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.6 | 177.6 | -52.5 | -56.3 | 0 | 0 | 0 | 109.3 | Q262 P995 G1005 P1029 Y1040 | Q262-I1003 HydrophobicContact CG-CD1 4.49Å; Q262-I1003 HydrophobicContact CG-CG1 3.82Å; P995-I1003 HydrophobicContact CB-CD1 4.01Å; I1003-G1005 PolarHBondContact O-N 3.19Å; I1003-P1029 HydrophobicContact CB-CG 3.94Å; I1003-P1029 HydrophobicContact CG2-CG 3.86Å; I1003-P1029 WeakPolarHBondContact O-CD 3.33Å; I1003-Y1040 WeakPolarHBondContact O-CE2 3.44Å |
| 1004 | L | 95 | Very high | 94.6 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113.6 | 172.6 | -53.7 | 179.7 | 0 | 0 | 0 | 108.1 | W993 L994 W1026 Y1040 L1042 | W993-L1004 CarbonylContact C-O 3.13Å; W993-L1004 WeakPolarHBondContact CA-O 3.22Å; W993-L1004 PolarHBondContact N-O 3.13Å; L994-L1004 HydrophobicContact CD2-CB 4.09Å; L994-L1004 HydrophobicContact CD2-CD1 4.31Å; L994-L1004 HydrophobicContact CG-CD1 4.47Å; L994-L1004 PolarHBondContact N-O 2.84Å; L994-L1004 WeakPolarHBondContact O-CB 3.34Å; L994-L1004 PolarHBondContact O-N 3.18Å; L1004-W1026 HydrophobicContact CB-CB 4.19Å; L1004-W1026 HydrophobicContact CB-CD2 4.1Å; L1004-W1026 HydrophobicContact CB-CG 3.84Å; L1004-W1026 HydrophobicContact CD1-CD2 4.17Å; L1004-W1026 HydrophobicContact CD1-CE3 4.26Å; L1004-W1026 HydrophobicContact CD1-CH2 4.19Å; L1004-W1026 HydrophobicContact CD1-CZ2 4.14Å; L1004-W1026 HydrophobicContact CD1-CZ3 4.28Å; L1004-W1026 HydrophobicContact CD2-CD2 4.26Å; L1004-W1026 HydrophobicContact CD2-CE3 4.1Å; L1004-W1026 HydrophobicContact CD2-CG 4.48Å; L1004-W1026 HydrophobicContact CG-CD2 4.41Å; L1004-Y1040 HydrophobicContact CD2-CD2 4.12Å; L1004-Y1040 HydrophobicContact CD2-CG 4.01Å; L1004-L1042 HydrophobicContact CD1-CD1 3.96Å; L1004-L1042 HydrophobicContact CD2-CD1 4.26Å |
| 1005 | G | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -81.2 | -130.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q992 W993 I1003 T1027 | Q992-G1005 WeakPolarHBondContact CA-O 3.36Å; Q992-G1005 VanDerWaalsContact CB-O 3.31Å; Q992-G1005 WeakPolarHBondContact CB-O 3.47Å; W993-G1005 PolarHBondContact N-O 2.92Å; I1003-G1005 PolarHBondContact O-N 3.19Å; G1005-T1027 WeakPolarHBondContact CA-O 3.44Å; G1005-T1027 PolarHBondContact N-O 2.87Å | ||
| 1006 | E | 96.2 | Very high | 94.3 | Very high | 106 Ų | 106 | 44.2 Ų | 44.2 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -72.5 | 137.8 | 175.9 | -171.3 | -174 | 169.3 | 0 | 0 | 110.8 | L1008 W1026 T1027 | E1006-L1008 PolarHBondContact O-N 3.04Å; E1006-W1026 CarbonylContact O-C 3.58Å; E1006-W1026 VanDerWaalsContact O-CA 3.24Å; E1006-W1026 WeakPolarHBondContact O-CA 3.17Å; E1006-T1027 HydrophobicContact CB-CG2 4.34Å; E1006-T1027 PolarHBondContact N-OG1 2.85Å; E1006-T1027 PolarHBondContact O-N 2.92Å; E1006-T1027 PolarHBondContact O-OG1 3.5Å |
| 1007 | L | 97.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 118.3 | 177.3 | -172.7 | 73.4 | 0 | 0 | 0 | 109.4 | I982 L991 Q992 I1009 L1024 W1026 | I982-L1007 HydrophobicContact CB-CD2 3.98Å; I982-L1007 HydrophobicContact CD1-CD2 4.38Å; I982-L1007 HydrophobicContact CG1-CD2 4.44Å; L991-L1007 HydrophobicContact CD1-CD2 4.37Å; Q992-L1007 HydrophobicContact CG-CB 4.02Å; L1007-I1009 VanDerWaalsContact C-N 3.27Å; L1007-I1009 HydrophobicContact CD2-CG1 4.2Å; L1007-I1009 HydrophobicContact CG-CG1 4.39Å; L1007-I1009 PolarHBondContact O-N 2.65Å; L1007-L1024 HydrophobicContact CD1-CD2 4.41Å; L1007-W1026 HydrophobicContact CD1-CD2 3.93Å; L1007-W1026 VanDerWaalsContact CD1-CE2 3.48Å; L1007-W1026 HydrophobicContact CD1-CG 4.15Å; L1007-W1026 HydrophobicContact CD1-CZ2 3.96Å |
| 1008 | L | 97.2 | Very high | 93.1 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | trans | -79.7 | 77.1 | 175.5 | -62.8 | -177.6 | 0 | 0 | 0 | 109.7 | E1006 H1010 K1011 C1012 V1025 T1027 N1039 | E1006-L1008 PolarHBondContact O-N 3.04Å; L1008-H1010 PolarHBondContact O-N 2.9Å; L1008-H1010 VanDerWaalsContact O-N 3.11Å; L1008-K1011 HydrophobicContact CB-CB 4.26Å; L1008-K1011 HydrophobicContact CB-CD 4.4Å; L1008-K1011 HydrophobicContact CB-CG 4.39Å; L1008-K1011 HydrophobicContact CD1-CD 3.97Å; L1008-K1011 WeakPolarHBondContact O-CA 3.42Å; L1008-K1011 PolarHBondContact O-N 2.82Å; L1008-C1012 PolarHBondContact O-N 3.14Å; L1008-C1012 PolarHBondContact O-SG 3.25Å; L1008-V1025 HydrophobicContact CB-CB 4.41Å; L1008-V1025 HydrophobicContact CB-CG1 4.4Å; L1008-V1025 HydrophobicContact CD1-CG1 4.16Å; L1008-V1025 PolarHBondContact N-O 2.81Å; L1008-T1027 HydrophobicContact CD1-CG2 4.13Å; L1008-T1027 HydrophobicContact CD2-CG2 3.56Å; L1008-T1027 HydrophobicContact CG-CG2 3.86Å; L1008-N1039 WeakPolarHBondContact CD1-OD1 3.33Å | ||
| 1009 | I | 96.2 | Very high | 92.9 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.169 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -48.8 | -43.1 | -175.4 | -66.6 | 175.9 | 0 | 0 | 0 | 112.2 | I982 L1007 K1011 C1012 | I982-I1009 HydrophobicContact CD1-CB 4.45Å; I982-I1009 HydrophobicContact CD1-CG1 4.31Å; I982-I1009 HydrophobicContact CD1-CG2 3.98Å; I982-I1009 HydrophobicContact CG1-CD1 4.46Å; I982-I1009 HydrophobicContact CG1-CG1 4.14Å; I982-I1009 HydrophobicContact CG1-CG2 4.07Å; L1007-I1009 VanDerWaalsContact C-N 3.27Å; L1007-I1009 HydrophobicContact CD2-CG1 4.2Å; L1007-I1009 HydrophobicContact CG-CG1 4.39Å; L1007-I1009 PolarHBondContact O-N 2.65Å; I1009-K1011 PolarHBondContact O-N 2.89Å; I1009-K1011 VanDerWaalsContact O-N 3.16Å; I1009-C1012 WeakPolarHBondContact O-CB 3.4Å; I1009-C1012 PolarHBondContact O-N 2.92Å |
| 1010 | H | 95.9 | Very high | 92.9 | Very high | 128 Ų | 128 | 56.5 Ų | 56.5 | 59% | 0.593 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -64.9 | -17.8 | -179.9 | 68.4 | -85.2 | 0 | 0 | 0 | 114.4 | L1008 | L1008-H1010 PolarHBondContact O-N 2.9Å; L1008-H1010 VanDerWaalsContact O-N 3.11Å |
| 1011 | K | 96.3 | Very high | 93.2 | Very high | 93 Ų | 93 | 56.2 Ų | 56.2 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -101.1 | -7.4 | 173.8 | -63 | -173.1 | -178.9 | 173.3 | 0 | 113.2 | L1008 I1009 W1023 V1025 | L1008-K1011 HydrophobicContact CB-CB 4.26Å; L1008-K1011 HydrophobicContact CB-CD 4.4Å; L1008-K1011 HydrophobicContact CB-CG 4.39Å; L1008-K1011 HydrophobicContact CD1-CD 3.97Å; L1008-K1011 WeakPolarHBondContact O-CA 3.42Å; L1008-K1011 PolarHBondContact O-N 2.82Å; I1009-K1011 PolarHBondContact O-N 2.89Å; I1009-K1011 VanDerWaalsContact O-N 3.16Å; K1011-W1023 VanDerWaalsContact O-CD1 3.24Å; K1011-W1023 PolarHBondContact O-NE1 2.89Å; K1011-V1025 HydrophobicContact CB-CB 3.97Å; K1011-V1025 HydrophobicContact CB-CG1 4.26Å; K1011-V1025 HydrophobicContact CB-CG2 3.88Å; K1011-V1025 HydrophobicContact CD-CG1 4.21Å |
| 1012 | C | 97.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | trans | -80.1 | 146.1 | 175.6 | -61 | 0 | 0 | 0 | 0 | 110 | F978 I982 L1008 I1009 W1023 V1025 | F978-C1012 HydrophobicContact CE1-CB 3.76Å; F978-C1012 HydrophobicContact CZ-CB 4.01Å; I982-C1012 HydrophobicContact CD1-CB 3.88Å; L1008-C1012 PolarHBondContact O-N 3.14Å; L1008-C1012 PolarHBondContact O-SG 3.25Å; I1009-C1012 WeakPolarHBondContact O-CB 3.4Å; I1009-C1012 PolarHBondContact O-N 2.92Å; C1012-W1023 CarbonylContact C-O 3.59Å; C1012-W1023 WeakPolarHBondContact CA-O 3.39Å; C1012-W1023 WeakPolarHBondContact CB-O 3.13Å; C1012-V1025 PolarHBondContact SG-N 3.02Å; C1012-V1025 VanDerWaalsContact SG-N 3.43Å | ||
| 1013 | D | 96.7 | Very high | 93.8 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 160.9 | -178.4 | -166.9 | 19.9 | 0 | 0 | 0 | 112.5 | R975 W1023 | R975-D1013 IonicContact NE-OD1 3.15Å; R975-D1013 PolarHBondContact NE-OD1 2.81Å; D1013-W1023 PolarHBondContact N-O 2.84Å; D1013-W1023 WeakPolarHBondContact O-CB 3.31Å; D1013-W1023 PolarHBondContact O-N 2.95Å |
| 1014 | V | 96.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 112.5 | 168.8 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | L965 F978 K1020 L1022 | L965-V1014 HydrophobicContact CD1-CG2 4.1Å; F978-V1014 HydrophobicContact CB-CG2 3.64Å; F978-V1014 HydrophobicContact CD1-CG2 3.77Å; F978-V1014 HydrophobicContact CD2-CG2 4.12Å; F978-V1014 HydrophobicContact CE1-CG2 4.46Å; F978-V1014 HydrophobicContact CG-CG2 3.57Å; V1014-K1020 HydrophobicContact CG1-CB 3.87Å; V1014-L1022 HydrophobicContact CG1-CD2 4.44Å; V1014-L1022 HydrophobicContact CG2-CD2 4.05Å |
| 1015 | K | 92.2 | Very high | 94.3 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | trans | -68.4 | 140.1 | -177 | -67.3 | -66.7 | -177 | -176.7 | 0 | 111.1 | S1017 P1021 W1023 | K1015-S1017 PolarHBondContact O-N 3.12Å; K1015-P1021 HydrophobicContact CB-CB 4.25Å; K1015-P1021 HydrophobicContact CB-CG 4Å; K1015-P1021 PolarHBondContact N-O 2.94Å; K1015-W1023 HydrophobicContact CD-CB 4.37Å; K1015-W1023 HydrophobicContact CG-CB 4.15Å | ||
| 1016 | R | 84.7 | Confident | 94.4 | Very high | 195 Ų | 195 | 53.5 Ų | 53.5 | 74% | 0.736 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -72.2 | 90.1 | 177 | -60.9 | -175.6 | -172.1 | -165.3 | -4.5 | 110.2 | E971 R975 | E971-R1016 IonicContact OE2-CZ 2.73Å; E971-R1016 IonicContact OE2-NE 3.83Å; E971-R1016 PolarHBondContact OE2-NE 2.8Å; R975-R1016 VanDerWaalsContact NH2-NE 3.14Å |
| 1017 | S | 84 | Confident | 94.4 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 43% | 0.434 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -153.8 | 159.3 | 175.7 | 166.9 | 0 | 0 | 0 | 0 | 109.5 | K1015 K1019 K1020 | K1015-S1017 PolarHBondContact O-N 3.12Å; S1017-K1019 PolarHBondContact O-N 3.21Å; S1017-K1020 PolarHBondContact O-N 3.36Å |
| 1018 | K | 83.2 | Confident | 94.3 | Very high | 174 Ų | 174 | 50.5 Ų | 50.5 | 76% | 0.757 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -33.7 | 178.8 | -173.9 | 178.6 | -178.8 | -178.5 | 0 | 112.8 | ||
| 1019 | K | 89.4 | Confident | 94 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 27% | 0.265 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2.2 | -176.5 | -57.4 | -68.8 | -171.4 | 160.4 | 0 | 114.2 | K966 S1017 G1047 D1048 | K966-K1019 WeakPolarHBondContact CE-O 3.44Å; S1017-K1019 PolarHBondContact O-N 3.21Å; K1019-G1047 WeakPolarHBondContact CD-O 3.37Å; K1019-G1047 WeakPolarHBondContact CE-O 3.46Å; K1019-G1047 PolarHBondContact NZ-O 2.97Å; K1019-D1048 WeakPolarHBondContact CE-OD1 3.25Å; K1019-D1048 WeakPolarHBondContact CG-OD1 3.42Å |
| 1020 | K | 93.8 | Very high | 93.6 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | trans | 51.5 | 60 | 176.9 | -55.2 | 169.9 | 177.2 | 178.1 | 0 | 113.5 | L965 K966 L968 Q974 V1014 S1017 | L965-K1020 PolarHBondContact O-NZ 2.91Å; K966-K1020 HydrophobicContact CG-CD 4.24Å; K966-K1020 PolarHBondContact O-NZ 2.9Å; L968-K1020 PolarHBondContact O-NZ 3.39Å; Q974-K1020 VanDerWaalsContact CD-CE 3.48Å; Q974-K1020 VanDerWaalsContact NE2-CE 3.28Å; Q974-K1020 VanDerWaalsContact OE1-CE 3.3Å; V1014-K1020 HydrophobicContact CG1-CB 3.87Å; S1017-K1020 PolarHBondContact O-N 3.36Å | ||
| 1021 | P | 95.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | trans | -58.2 | 143.5 | 177.2 | -6.9 | 14.4 | 0 | 0 | 0 | 111.8 | K1015 I1043 F1044 K1045 | K1015-P1021 HydrophobicContact CB-CB 4.25Å; K1015-P1021 HydrophobicContact CB-CG 4Å; K1015-P1021 PolarHBondContact N-O 2.94Å; P1021-I1043 HydrophobicContact CB-CG2 3.74Å; P1021-F1044 CarbonylContact C-O 3.5Å; P1021-F1044 WeakPolarHBondContact CA-O 3.35Å; P1021-K1045 HydrophobicContact CB-CG 3.84Å; P1021-K1045 HydrophobicContact CG-CG 4.16Å | ||
| 1022 | L | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.8 | 175.2 | -47.6 | 179.5 | 0 | 0 | 0 | 109.1 | L958 L961 L965 F978 V1014 L1024 I1043 F1044 | L958-L1022 HydrophobicContact CD2-CD1 4.12Å; L961-L1022 HydrophobicContact CD2-CD1 4.45Å; L965-L1022 HydrophobicContact CD1-CD2 3.59Å; F978-L1022 HydrophobicContact CD2-CD2 4.04Å; F978-L1022 HydrophobicContact CE2-CB 4.26Å; F978-L1022 HydrophobicContact CE2-CD1 4.12Å; F978-L1022 HydrophobicContact CE2-CD2 3.95Å; F978-L1022 HydrophobicContact CE2-CG 4.33Å; V1014-L1022 HydrophobicContact CG1-CD2 4.44Å; V1014-L1022 HydrophobicContact CG2-CD2 4.05Å; L1022-L1024 HydrophobicContact CB-CG 4.41Å; L1022-I1043 CarbonylContact O-C 3.5Å; L1022-I1043 WeakPolarHBondContact O-CA 3.47Å; L1022-F1044 HydrophobicContact CB-CB 4.25Å; L1022-F1044 HydrophobicContact CD1-CD1 3.86Å; L1022-F1044 HydrophobicContact CG-CD1 4.16Å; L1022-F1044 PolarHBondContact N-O 3.06Å; L1022-F1044 PolarHBondContact O-N 3.33Å |
| 1023 | W | 97.6 | Very high | 92.2 | Very high | 53 Ų | 53 | 50.6 Ų | 50.6 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 114.6 | 172.8 | 175.4 | -85.6 | 0 | 0 | 0 | 108.8 | K1011 C1012 D1013 K1015 Q1041 I1043 A1093 | K1011-W1023 VanDerWaalsContact O-CD1 3.24Å; K1011-W1023 PolarHBondContact O-NE1 2.89Å; C1012-W1023 CarbonylContact C-O 3.59Å; C1012-W1023 WeakPolarHBondContact CA-O 3.39Å; C1012-W1023 WeakPolarHBondContact CB-O 3.13Å; D1013-W1023 PolarHBondContact N-O 2.84Å; D1013-W1023 WeakPolarHBondContact O-CB 3.31Å; D1013-W1023 PolarHBondContact O-N 2.95Å; K1015-W1023 HydrophobicContact CD-CB 4.37Å; K1015-W1023 HydrophobicContact CG-CB 4.15Å; W1023-Q1041 HydrophobicContact CH2-CB 4.45Å; W1023-Q1041 HydrophobicContact CZ2-CB 4.22Å; W1023-Q1041 HydrophobicContact CZ2-CG 4.17Å; W1023-I1043 HydrophobicContact CE3-CD1 4.14Å; W1023-I1043 HydrophobicContact CE3-CG1 3.76Å; W1023-I1043 HydrophobicContact CZ3-CD1 4.07Å; W1023-I1043 HydrophobicContact CZ3-CG1 4.03Å; W1023-A1093 HydrophobicContact CH2-CB 3.65Å; W1023-A1093 HydrophobicContact CZ3-CB 3.78Å |
| 1024 | L | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.6 | -173.3 | -60.5 | 167 | 0 | 0 | 0 | 109.5 | L958 F978 L1007 L1022 W1026 Q1041 L1042 F1044 | L958-L1024 HydrophobicContact CD1-CD1 3.59Å; L958-L1024 HydrophobicContact CD2-CD1 3.8Å; L958-L1024 HydrophobicContact CD2-CD2 4.41Å; L958-L1024 HydrophobicContact CG-CD1 4.37Å; F978-L1024 HydrophobicContact CE2-CD2 4.33Å; F978-L1024 HydrophobicContact CZ-CD2 3.93Å; L1007-L1024 HydrophobicContact CD1-CD2 4.41Å; L1022-L1024 HydrophobicContact CB-CG 4.41Å; L1024-W1026 HydrophobicContact CB-CE3 4.15Å; L1024-W1026 HydrophobicContact CB-CH2 3.2Å; L1024-W1026 HydrophobicContact CB-CZ2 3.92Å; L1024-W1026 HydrophobicContact CB-CZ3 3.32Å; L1024-W1026 HydrophobicContact CD1-CH2 3.58Å; L1024-W1026 HydrophobicContact CD1-CZ2 4.13Å; L1024-W1026 HydrophobicContact CD1-CZ3 4.46Å; L1024-W1026 HydrophobicContact CG-CH2 3.98Å; L1024-Q1041 WeakPolarHBondContact O-CA 3.49Å; L1024-L1042 PolarHBondContact N-O 3.4Å; L1024-L1042 PolarHBondContact O-N 2.83Å; L1024-F1044 HydrophobicContact CD1-CB 4.19Å |
| 1025 | V | 97.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.1 | -176.8 | -171 | 0 | 0 | 0 | 0 | 109.3 | L1008 K1011 C1012 N1039 Y1040 Q1041 | L1008-V1025 HydrophobicContact CB-CB 4.41Å; L1008-V1025 HydrophobicContact CB-CG1 4.4Å; L1008-V1025 HydrophobicContact CD1-CG1 4.16Å; L1008-V1025 PolarHBondContact N-O 2.81Å; K1011-V1025 HydrophobicContact CB-CB 3.97Å; K1011-V1025 HydrophobicContact CB-CG1 4.26Å; K1011-V1025 HydrophobicContact CB-CG2 3.88Å; K1011-V1025 HydrophobicContact CD-CG1 4.21Å; C1012-V1025 PolarHBondContact SG-N 3.02Å; C1012-V1025 VanDerWaalsContact SG-N 3.43Å; V1025-N1039 HydrophobicContact CG1-CB 4.08Å; V1025-Y1040 CarbonylContact C-O 3.6Å; V1025-Y1040 WeakPolarHBondContact CA-O 3.38Å; V1025-Q1041 HydrophobicContact CG1-CG 4.06Å; V1025-Q1041 HydrophobicContact CG2-CG 4.21Å |
| 1026 | W | 97.8 | Very high | 90.2 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.6 | 176.7 | -65.5 | -96 | 0 | 0 | 0 | 111.3 | L991 L1004 E1006 L1007 L1024 N1039 Y1040 L1042 | L991-W1026 PolarHBondContact O-NE1 3.5Å; L1004-W1026 HydrophobicContact CB-CB 4.19Å; L1004-W1026 HydrophobicContact CB-CD2 4.1Å; L1004-W1026 HydrophobicContact CB-CG 3.84Å; L1004-W1026 HydrophobicContact CD1-CD2 4.17Å; L1004-W1026 HydrophobicContact CD1-CE3 4.26Å; L1004-W1026 HydrophobicContact CD1-CH2 4.19Å; L1004-W1026 HydrophobicContact CD1-CZ2 4.14Å; L1004-W1026 HydrophobicContact CD1-CZ3 4.28Å; L1004-W1026 HydrophobicContact CD2-CD2 4.26Å; L1004-W1026 HydrophobicContact CD2-CE3 4.1Å; L1004-W1026 HydrophobicContact CD2-CG 4.48Å; L1004-W1026 HydrophobicContact CG-CD2 4.41Å; E1006-W1026 CarbonylContact O-C 3.58Å; E1006-W1026 VanDerWaalsContact O-CA 3.24Å; E1006-W1026 WeakPolarHBondContact O-CA 3.17Å; L1007-W1026 HydrophobicContact CD1-CD2 3.93Å; L1007-W1026 VanDerWaalsContact CD1-CE2 3.48Å; L1007-W1026 HydrophobicContact CD1-CG 4.15Å; L1007-W1026 HydrophobicContact CD1-CZ2 3.96Å; L1024-W1026 HydrophobicContact CB-CE3 4.15Å; L1024-W1026 HydrophobicContact CB-CH2 3.2Å; L1024-W1026 HydrophobicContact CB-CZ2 3.92Å; L1024-W1026 HydrophobicContact CB-CZ3 3.32Å; L1024-W1026 HydrophobicContact CD1-CH2 3.58Å; L1024-W1026 HydrophobicContact CD1-CZ2 4.13Å; L1024-W1026 HydrophobicContact CD1-CZ3 4.46Å; L1024-W1026 HydrophobicContact CG-CH2 3.98Å; W1026-N1039 CarbonylContact O-C 3.41Å; W1026-N1039 WeakPolarHBondContact O-CA 3.44Å; W1026-N1039 WeakPolarHBondContact O-CB 3.35Å; W1026-Y1040 PolarHBondContact N-O 3.2Å; W1026-Y1040 PolarHBondContact O-N 3.14Å; W1026-L1042 HydrophobicContact CH2-CB 4.45Å; W1026-L1042 HydrophobicContact CH2-CD1 4.27Å; W1026-L1042 HydrophobicContact CZ3-CB 3.85Å; W1026-L1042 HydrophobicContact CZ3-CD1 3.87Å; W1026-L1042 HydrophobicContact CZ3-CG 3.92Å |
| 1027 | T | 96.9 | Very high | 90.2 | Very high | 35 Ų | 35 | 51 Ų | 51 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 146.2 | 162 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | G1005 E1006 L1008 P1029 | G1005-T1027 WeakPolarHBondContact CA-O 3.44Å; G1005-T1027 PolarHBondContact N-O 2.87Å; E1006-T1027 HydrophobicContact CB-CG2 4.34Å; E1006-T1027 PolarHBondContact N-OG1 2.85Å; E1006-T1027 PolarHBondContact O-N 2.92Å; E1006-T1027 PolarHBondContact O-OG1 3.5Å; L1008-T1027 HydrophobicContact CD1-CG2 4.13Å; L1008-T1027 HydrophobicContact CD2-CG2 3.56Å; L1008-T1027 HydrophobicContact CG-CG2 3.86Å; T1027-P1029 WeakPolarHBondContact O-CD 2.8Å |
| 1028 | N | 94.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | trans | -86.5 | 115.2 | 164.5 | -179.7 | -3.7 | 0 | 0 | 0 | 108 | C260 D1030 A1033 H1037 Q1038 Y1040 | C260-N1028 WeakPolarHBondContact CB-ND2 2.84Å; C260-N1028 PolarHBondContact O-ND2 3.4Å; N1028-D1030 PolarHBondContact O-N 2.89Å; N1028-D1030 VanDerWaalsContact OD1-CB 3.24Å; N1028-D1030 WeakPolarHBondContact OD1-CB 3.19Å; N1028-D1030 PolarHBondContact OD1-N 3.08Å; N1028-A1033 HydrophobicContact CB-CB 3.7Å; N1028-A1033 WeakPolarHBondContact O-CB 3.29Å; N1028-H1037 WeakPolarHBondContact CB-O 3.49Å; N1028-H1037 PolarHBondContact ND2-O 2.91Å; N1028-Q1038 PolarHBondContact N-O 3.11Å; N1028-Y1040 HydrophobicContact CB-CD2 3.99Å; N1028-Y1040 HydrophobicContact CB-CE2 3.68Å; N1028-Y1040 VanDerWaalsContact CG-CE2 3.44Å; N1028-Y1040 PolarHBondContact ND2-OH 2.88Å | ||
| 1029 | P | 91.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | trans | -74.7 | -3.1 | -176.4 | 32 | -35.2 | 0 | 0 | 0 | 113.3 | W993 I1003 T1027 R1031 | W993-P1029 HydrophobicContact CE3-CB 4.23Å; W993-P1029 HydrophobicContact CH2-CB 4Å; W993-P1029 HydrophobicContact CZ3-CB 3.39Å; W993-P1029 HydrophobicContact CZ3-CG 4.15Å; I1003-P1029 HydrophobicContact CB-CG 3.94Å; I1003-P1029 HydrophobicContact CG2-CG 3.86Å; I1003-P1029 WeakPolarHBondContact O-CD 3.33Å; T1027-P1029 WeakPolarHBondContact O-CD 2.8Å; P1029-R1031 PolarHBondContact O-N 3.49Å | ||
| 1030 | D | 88.7 | Confident | 91.4 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -60.8 | 136.4 | 176.7 | -165.3 | -78.5 | 0 | 0 | 0 | 111.8 | K257 N1028 L1032 A1033 | K257-D1030 WeakPolarHBondContact CE-OD2 3.48Å; K257-D1030 IonicContact NZ-OD2 2.92Å; K257-D1030 PolarHBondContact NZ-OD2 2.84Å; N1028-D1030 PolarHBondContact O-N 2.89Å; N1028-D1030 VanDerWaalsContact OD1-CB 3.24Å; N1028-D1030 WeakPolarHBondContact OD1-CB 3.19Å; N1028-D1030 PolarHBondContact OD1-N 3.08Å; D1030-L1032 PolarHBondContact O-N 2.89Å; D1030-L1032 WeakPolarHBondContact OD1-CB 3.19Å; D1030-L1032 PolarHBondContact OD1-N 3.36Å; D1030-A1033 HydrophobicContact CB-CB 4.4Å; D1030-A1033 WeakPolarHBondContact O-CB 3.36Å; D1030-A1033 PolarHBondContact O-N 3.35Å |
| 1031 | R | 84.9 | Confident | 91.5 | Very high | 206 Ų | 206 | 45.7 Ų | 45.7 | 78% | 0.777 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.8 | 179.6 | -67.9 | -175.6 | -179.3 | 176.1 | 1.4 | 113.4 | K208 P1029 | K208-R1031 PolarHBondContact NZ-O 3.43Å; P1029-R1031 PolarHBondContact O-N 3.49Å |
| 1032 | L | 87.2 | Confident | 91.6 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -0 | 178.2 | -59.7 | 177 | 0 | 0 | 0 | 113.1 | W198 K208 C259 D1030 Q1034 F1035 | W198-L1032 HydrophobicContact CB-CD1 3.81Å; W198-L1032 HydrophobicContact CB-CD2 3.97Å; W198-L1032 HydrophobicContact CD2-CD2 4.08Å; W198-L1032 HydrophobicContact CE3-CD2 4.43Å; W198-L1032 HydrophobicContact CG-CD1 3.97Å; W198-L1032 HydrophobicContact CG-CD2 3.88Å; K208-L1032 HydrophobicContact CD-CD2 3.79Å; C259-L1032 HydrophobicContact CB-CD1 4.1Å; C259-L1032 WeakPolarHBondContact SG-CD1 3.49Å; D1030-L1032 PolarHBondContact O-N 2.89Å; D1030-L1032 WeakPolarHBondContact OD1-CB 3.19Å; D1030-L1032 PolarHBondContact OD1-N 3.36Å; L1032-Q1034 PolarHBondContact O-N 3.03Å; L1032-Q1034 VanDerWaalsContact O-N 3.16Å; L1032-F1035 HydrophobicContact CD2-CD2 4.23Å; L1032-F1035 PolarHBondContact O-N 3.29Å |
| 1033 | A | 88.2 | Confident | 91.5 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -51.7 | -40.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1028 D1030 F1035 H1036 H1037 Q1038 | N1028-A1033 HydrophobicContact CB-CB 3.7Å; N1028-A1033 WeakPolarHBondContact O-CB 3.29Å; D1030-A1033 HydrophobicContact CB-CB 4.4Å; D1030-A1033 WeakPolarHBondContact O-CB 3.36Å; D1030-A1033 PolarHBondContact O-N 3.35Å; A1033-F1035 PolarHBondContact O-N 3.43Å; A1033-F1035 VanDerWaalsContact O-N 3.1Å; A1033-H1036 PolarHBondContact O-N 2.79Å; A1033-H1037 WeakPolarHBondContact CB-O 3.48Å; A1033-H1037 CarbonylContact O-C 3.58Å; A1033-H1037 VanDerWaalsContact O-C 3.23Å; A1033-H1037 PolarHBondContact O-N 3.31Å; A1033-H1037 VanDerWaalsContact O-N 3.12Å; A1033-Q1038 WeakPolarHBondContact O-CA 3.45Å; A1033-Q1038 WeakPolarHBondContact O-CG 3.47Å; A1033-Q1038 PolarHBondContact O-N 2.84Å; A1033-Q1038 VanDerWaalsContact O-N 3.15Å |
| 1034 | Q | 84.2 | Confident | 91.6 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -57.2 | -28.1 | -179.2 | 69.9 | -177.2 | 4.9 | 0 | 0 | 114.2 | L1032 Q1038 | L1032-Q1034 PolarHBondContact O-N 3.03Å; L1032-Q1034 VanDerWaalsContact O-N 3.16Å; Q1034-Q1038 PolarHBondContact O-NE2 3.16Å; Q1034-Q1038 VanDerWaalsContact O-NE2 3.14Å |
| 1035 | F | 80.4 | Confident | 91.5 | Very high | 92 Ų | 92 | 45.8 Ų | 45.8 | 40% | 0.404 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -99 | -10.3 | -175.1 | -58 | -63.4 | 0 | 0 | 0 | 114.2 | W198 K208 L1032 A1033 | W198-F1035 HydrophobicContact CE3-CD2 4.38Å; W198-F1035 HydrophobicContact CE3-CE2 4.4Å; W198-F1035 HydrophobicContact CH2-CB 3.91Å; W198-F1035 AromaticContact CH2-CD1 3.64Å; W198-F1035 HydrophobicContact CH2-CD1 3.64Å; W198-F1035 AromaticContact CH2-CD2 3.59Å; W198-F1035 HydrophobicContact CH2-CD2 3.59Å; W198-F1035 AromaticContact CH2-CE1 3.94Å; W198-F1035 HydrophobicContact CH2-CE1 3.94Å; W198-F1035 AromaticContact CH2-CE2 3.88Å; W198-F1035 HydrophobicContact CH2-CE2 3.88Å; W198-F1035 AromaticContact CH2-CG 3.44Å; W198-F1035 HydrophobicContact CH2-CG 3.44Å; W198-F1035 VanDerWaalsContact CH2-CG 3.44Å; W198-F1035 HydrophobicContact CH2-CZ 4.02Å; W198-F1035 HydrophobicContact CZ2-CB 3.44Å; W198-F1035 VanDerWaalsContact CZ2-CB 3.44Å; W198-F1035 HydrophobicContact CZ2-CD1 4.1Å; W198-F1035 AromaticContact CZ2-CD2 3.8Å; W198-F1035 HydrophobicContact CZ2-CD2 3.8Å; W198-F1035 AromaticContact CZ2-CG 3.53Å; W198-F1035 HydrophobicContact CZ2-CG 3.53Å; W198-F1035 HydrophobicContact CZ3-CD1 4.47Å; W198-F1035 AromaticContact CZ3-CD2 3.91Å; W198-F1035 HydrophobicContact CZ3-CD2 3.91Å; W198-F1035 HydrophobicContact CZ3-CE1 4.4Å; W198-F1035 AromaticContact CZ3-CE2 3.82Å; W198-F1035 HydrophobicContact CZ3-CE2 3.82Å; W198-F1035 HydrophobicContact CZ3-CG 4.22Å; W198-F1035 HydrophobicContact CZ3-CZ 4.06Å; K208-F1035 HydrophobicContact CB-CE2 4.34Å; K208-F1035 HydrophobicContact CD-CE2 3.96Å; L1032-F1035 HydrophobicContact CD2-CD2 4.23Å; L1032-F1035 PolarHBondContact O-N 3.29Å; A1033-F1035 PolarHBondContact O-N 3.43Å; A1033-F1035 VanDerWaalsContact O-N 3.1Å |
| 1036 | H | 78.4 | Confident | 91.4 | Very high | 79 Ų | 79 | 47 Ų | 47 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -141.8 | -71.3 | -171.4 | -150.5 | -75.7 | 0 | 0 | 0 | 110.8 | A1033 | A1033-H1036 PolarHBondContact O-N 2.79Š|
| 1037 | H | 84.3 | Confident | 91.1 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 23% | 0.231 | 22% | 0.219 | C | C | . | . | trans | -126.4 | 85.3 | -173 | -59.9 | 161.4 | 0 | 0 | 0 | 111 | C260 N1028 A1033 N1039 R1095 | C260-H1037 HydrophobicContact CB-CB 3.88Å; N1028-H1037 WeakPolarHBondContact CB-O 3.49Å; N1028-H1037 PolarHBondContact ND2-O 2.91Å; A1033-H1037 WeakPolarHBondContact CB-O 3.48Å; A1033-H1037 CarbonylContact O-C 3.58Å; A1033-H1037 VanDerWaalsContact O-C 3.23Å; A1033-H1037 PolarHBondContact O-N 3.31Å; A1033-H1037 VanDerWaalsContact O-N 3.12Å; H1037-N1039 PolarHBondContact O-N 3.24Å; H1037-R1095 PolarHBondContact CD2-NH1 3.03Å; H1037-R1095 PolarHBondContact CE1-NH1 3.25Å; H1037-R1095 PolarHBondContact CE1-NH2 3.42Å; H1037-R1095 PolarHBondContact ND1-NH1 3.05Å; H1037-R1095 PolarHBondContact NE2-NH1 3.02Å; H1037-R1095 VanDerWaalsContact NE2-NH1 3.13Å | ||
| 1038 | Q | 90.9 | Very high | 90.8 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 53% | 0.533 | 22% | 0.22 | S | C | . | . | trans | -67.2 | -33.4 | -174.2 | -71.2 | -179.8 | 3.7 | 0 | 0 | 114 | N1028 A1033 Q1034 | N1028-Q1038 PolarHBondContact N-O 3.11Å; A1033-Q1038 WeakPolarHBondContact O-CA 3.45Å; A1033-Q1038 WeakPolarHBondContact O-CG 3.47Å; A1033-Q1038 PolarHBondContact O-N 2.84Å; A1033-Q1038 VanDerWaalsContact O-N 3.15Å; Q1034-Q1038 PolarHBondContact O-NE2 3.16Å; Q1034-Q1038 VanDerWaalsContact O-NE2 3.14Å | ||
| 1039 | N | 94.7 | Very high | 90.7 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.9 | -170.4 | -48.9 | -53.7 | 0 | 0 | 0 | 111.5 | L1008 V1025 W1026 H1037 | L1008-N1039 WeakPolarHBondContact CD1-OD1 3.33Å; V1025-N1039 HydrophobicContact CG1-CB 4.08Å; W1026-N1039 CarbonylContact O-C 3.41Å; W1026-N1039 WeakPolarHBondContact O-CA 3.44Å; W1026-N1039 WeakPolarHBondContact O-CB 3.35Å; H1037-N1039 PolarHBondContact O-N 3.24Å |
| 1040 | Y | 95.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 46 Ų | 46 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143 | 164.7 | -69.9 | -67.1 | 0 | 0 | 0 | 110.1 | C260 E1002 I1003 L1004 V1025 W1026 N1028 | C260-Y1040 PolarHBondContact O-OH 3.43Å; E1002-Y1040 HydrophobicContact CB-CE1 3.93Å; E1002-Y1040 HydrophobicContact CB-CE2 4.39Å; E1002-Y1040 HydrophobicContact CG-CE1 3.83Å; I1003-Y1040 WeakPolarHBondContact O-CE2 3.44Å; L1004-Y1040 HydrophobicContact CD2-CD2 4.12Å; L1004-Y1040 HydrophobicContact CD2-CG 4.01Å; V1025-Y1040 CarbonylContact C-O 3.6Å; V1025-Y1040 WeakPolarHBondContact CA-O 3.38Å; W1026-Y1040 PolarHBondContact N-O 3.2Å; W1026-Y1040 PolarHBondContact O-N 3.14Å; N1028-Y1040 HydrophobicContact CB-CD2 3.99Å; N1028-Y1040 HydrophobicContact CB-CE2 3.68Å; N1028-Y1040 VanDerWaalsContact CG-CE2 3.44Å; N1028-Y1040 PolarHBondContact ND2-OH 2.88Å |
| 1041 | Q | 96.3 | Very high | 91.1 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.8 | -175.9 | -66.1 | 164.9 | 26.3 | 0 | 0 | 108.6 | W1023 L1024 V1025 A1093 | W1023-Q1041 HydrophobicContact CH2-CB 4.45Å; W1023-Q1041 HydrophobicContact CZ2-CB 4.22Å; W1023-Q1041 HydrophobicContact CZ2-CG 4.17Å; L1024-Q1041 WeakPolarHBondContact O-CA 3.49Å; V1025-Q1041 HydrophobicContact CG1-CG 4.06Å; V1025-Q1041 HydrophobicContact CG2-CG 4.21Å; Q1041-A1093 HydrophobicContact CB-CB 3.65Å; Q1041-A1093 WeakPolarHBondContact O-CB 3.37Å; Q1041-A1093 PolarHBondContact O-N 3.22Å; Q1041-A1093 VanDerWaalsContact O-N 3.13Å |
| 1042 | L | 97.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.5 | 177.6 | -54.2 | 173.5 | 0 | 0 | 0 | 109.9 | L998 L1004 L1024 W1026 I1090 I1091 | L998-L1042 HydrophobicContact CD1-CD2 3.75Å; L1004-L1042 HydrophobicContact CD1-CD1 3.96Å; L1004-L1042 HydrophobicContact CD2-CD1 4.26Å; L1024-L1042 PolarHBondContact N-O 3.4Å; L1024-L1042 PolarHBondContact O-N 2.83Å; W1026-L1042 HydrophobicContact CH2-CB 4.45Å; W1026-L1042 HydrophobicContact CH2-CD1 4.27Å; W1026-L1042 HydrophobicContact CZ3-CB 3.85Å; W1026-L1042 HydrophobicContact CZ3-CD1 3.87Å; W1026-L1042 HydrophobicContact CZ3-CG 3.92Å; L1042-I1090 HydrophobicContact CB-CD1 3.95Å; L1042-I1090 HydrophobicContact CB-CG1 3.92Å; L1042-I1090 HydrophobicContact CD1-CD1 3.61Å; L1042-I1090 HydrophobicContact CD1-CG1 4.26Å; L1042-I1090 HydrophobicContact CG-CD1 4.34Å; L1042-I1091 WeakPolarHBondContact CA-O 2.92Å |
| 1043 | I | 97.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 19% | 0.19 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.8 | 173.3 | -56.7 | 168.6 | 0 | 0 | 0 | 107.6 | P1021 L1022 W1023 K1045 I1090 I1091 | P1021-I1043 HydrophobicContact CB-CG2 3.74Å; L1022-I1043 CarbonylContact O-C 3.5Å; L1022-I1043 WeakPolarHBondContact O-CA 3.47Å; W1023-I1043 HydrophobicContact CE3-CD1 4.14Å; W1023-I1043 HydrophobicContact CE3-CG1 3.76Å; W1023-I1043 HydrophobicContact CZ3-CD1 4.07Å; W1023-I1043 HydrophobicContact CZ3-CG1 4.03Å; I1043-K1045 HydrophobicContact CG2-CG 4.36Å; I1043-I1090 CarbonylContact O-C 3.56Å; I1043-I1090 WeakPolarHBondContact O-CA 3.47Å; I1043-I1091 HydrophobicContact CB-CB 4.27Å; I1043-I1091 PolarHBondContact N-O 3.3Å; I1043-I1091 PolarHBondContact O-N 3.42Å |
| 1044 | F | 98.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.5 | 167.9 | 177.1 | -94.2 | 0 | 0 | 0 | 109.2 | L955 L958 E959 P1021 L1022 L1024 H1046 M1088 | L955-F1044 HydrophobicContact CD2-CD2 3.89Å; L955-F1044 HydrophobicContact CD2-CE2 3.87Å; L958-F1044 HydrophobicContact CB-CD1 3.89Å; L958-F1044 HydrophobicContact CB-CD2 3.9Å; L958-F1044 HydrophobicContact CB-CE1 3.79Å; L958-F1044 HydrophobicContact CB-CE2 3.78Å; L958-F1044 HydrophobicContact CB-CG 3.94Å; L958-F1044 HydrophobicContact CB-CZ 3.74Å; L958-F1044 HydrophobicContact CD1-CB 4.16Å; L958-F1044 HydrophobicContact CD1-CD2 3.87Å; L958-F1044 HydrophobicContact CD1-CE2 4.44Å; L958-F1044 HydrophobicContact CD1-CG 4.01Å; L958-F1044 WeakPolarHBondContact O-CE1 3.33Å; E959-F1044 HydrophobicContact CB-CZ 4.22Å; P1021-F1044 CarbonylContact C-O 3.5Å; P1021-F1044 WeakPolarHBondContact CA-O 3.35Å; L1022-F1044 HydrophobicContact CB-CB 4.25Å; L1022-F1044 HydrophobicContact CD1-CD1 3.86Å; L1022-F1044 HydrophobicContact CG-CD1 4.16Å; L1022-F1044 PolarHBondContact N-O 3.06Å; L1022-F1044 PolarHBondContact O-N 3.33Å; L1024-F1044 HydrophobicContact CD1-CB 4.19Å; F1044-H1046 HydrophobicContact CE1-CB 3.75Å; F1044-H1046 HydrophobicContact CZ-CB 4.17Å; F1044-M1088 HydrophobicContact CE2-CE 3.55Å; F1044-M1088 HydrophobicContact CZ-CE 3.79Å |
| 1045 | K | 96.7 | Very high | 92.8 | Very high | 22 Ų | 22 | 32 Ų | 32 | 10% | 0.096 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.6 | 174.5 | -93.8 | -170.9 | 172.1 | -163.1 | 0 | 108.9 | P1021 I1043 D1048 L1050 M1088 G1089 I1091 D1188 | P1021-K1045 HydrophobicContact CB-CG 3.84Å; P1021-K1045 HydrophobicContact CG-CG 4.16Å; I1043-K1045 HydrophobicContact CG2-CG 4.36Å; K1045-D1048 HydrophobicContact CD-CB 4.44Å; K1045-D1048 IonicContact NZ-OD2 3.96Å; K1045-D1048 PolarHBondContact NZ-OD2 3.38Å; K1045-D1048 VanDerWaalsContact NZ-OD2 3.13Å; K1045-L1050 HydrophobicContact CB-CD1 4.29Å; K1045-L1050 HydrophobicContact CB-CD2 4.47Å; K1045-L1050 HydrophobicContact CD-CD2 4Å; K1045-M1088 CarbonylContact O-C 3.58Å; K1045-M1088 VanDerWaalsContact O-CA 3.26Å; K1045-M1088 WeakPolarHBondContact O-CA 3.07Å; K1045-G1089 PolarHBondContact N-O 3.09Å; K1045-G1089 PolarHBondContact O-N 3.43Å; K1045-I1091 HydrophobicContact CD-CD1 4.02Å; K1045-D1188 IonicContact NZ-OD1 3.83Å; K1045-D1188 PolarHBondContact NZ-OD1 3.38Å |
| 1046 | H | 95.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 13% | 0.13 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.4 | 170 | 168.6 | -133.7 | 0 | 0 | 0 | 108.1 | S962 T963 K966 F1044 E1087 M1088 | S962-H1046 PolarHBondContact OG-ND1 2.88Å; T963-H1046 PolarHBondContact OG1-CE1 2.92Å; T963-H1046 VanDerWaalsContact OG1-CE1 3.27Å; K966-H1046 VanDerWaalsContact CE-O 3.29Å; K966-H1046 WeakPolarHBondContact CE-O 3.38Å; K966-H1046 PolarHBondContact NZ-CE1 3.47Å; K966-H1046 VanDerWaalsContact NZ-CG 3.31Å; K966-H1046 PolarHBondContact NZ-ND1 3.39Å; K966-H1046 PolarHBondContact NZ-O 2.77Å; F1044-H1046 HydrophobicContact CE1-CB 3.75Å; F1044-H1046 HydrophobicContact CZ-CB 4.17Å; H1046-E1087 CarbonylContact C-O 3.48Å; H1046-E1087 WeakPolarHBondContact CA-O 3.47Å; H1046-M1088 HydrophobicContact CB-CB 4.26Å |
| 1047 | G | 91.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 90.3 | 6.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1019 E1087 | K1019-G1047 WeakPolarHBondContact CD-O 3.37Å; K1019-G1047 WeakPolarHBondContact CE-O 3.46Å; K1019-G1047 PolarHBondContact NZ-O 2.97Å; G1047-E1087 WeakPolarHBondContact CA-O 3.04Å; G1047-E1087 PolarHBondContact N-O 2.85Å |
| 1048 | D | 90.7 | Very high | 95 | Very high | 41 Ų | 41 | 23.2 Ų | 23.2 | 22% | 0.219 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -123.5 | 137.9 | 172.1 | -75.6 | -28.2 | 0 | 0 | 0 | 108.8 | K1019 K1045 L1050 E1087 | K1019-D1048 WeakPolarHBondContact CE-OD1 3.25Å; K1019-D1048 WeakPolarHBondContact CG-OD1 3.42Å; K1045-D1048 HydrophobicContact CD-CB 4.44Å; K1045-D1048 IonicContact NZ-OD2 3.96Å; K1045-D1048 PolarHBondContact NZ-OD2 3.38Å; K1045-D1048 VanDerWaalsContact NZ-OD2 3.13Å; D1048-L1050 HydrophobicContact CB-CD2 4.34Å; D1048-L1050 PolarHBondContact O-N 3.48Å; D1048-L1050 VanDerWaalsContact O-N 3.14Å; D1048-E1087 PolarHBondContact N-O 3.28Å; D1048-E1087 VanDerWaalsContact N-O 3.17Å; D1048-E1087 CarbonylContact O-C 3.46Å; D1048-E1087 WeakPolarHBondContact O-CA 3.38Å; D1048-E1087 VanDerWaalsContact O-O 3.07Å |
| 1049 | D | 91.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 18 Ų | 18 | 19% | 0.187 | 9% | 0.088 | C | C | . | . | trans | -79.3 | 93.2 | 175.7 | -173.2 | 1.5 | 0 | 0 | 0 | 111.4 | R1051 Q1052 | D1049-R1051 PolarHBondContact O-N 2.72Å; D1049-R1051 VanDerWaalsContact OD1-CB 3.27Å; D1049-R1051 WeakPolarHBondContact OD1-CB 3.43Å; D1049-R1051 VanDerWaalsContact OD1-CG 3.29Å; D1049-R1051 WeakPolarHBondContact OD1-CG 3.45Å; D1049-R1051 IonicContact OD1-CZ 2.75Å; D1049-R1051 PolarHBondContact OD1-N 3.17Å; D1049-R1051 VanDerWaalsContact OD1-N 3.12Å; D1049-R1051 IonicContact OD1-NE 3.55Å; D1049-R1051 PolarHBondContact OD1-NE 3.37Å; D1049-R1051 IonicContact OD1-NH2 3.86Å; D1049-R1051 IonicContact OD2-CZ 2.77Å; D1049-R1051 IonicContact OD2-NE 2.85Å; D1049-R1051 PolarHBondContact OD2-NE 2.92Å; D1049-R1051 IonicContact OD2-NH2 3.09Å; D1049-R1051 PolarHBondContact OD2-NH2 3.42Å; D1049-Q1052 PolarHBondContact O-N 3.04Å | ||
| 1050 | L | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.9 | -178.8 | -62.3 | -166.7 | 0 | 0 | 0 | 114.2 | K1045 D1048 Q1052 D1053 M1054 A1083 I1091 | K1045-L1050 HydrophobicContact CB-CD1 4.29Å; K1045-L1050 HydrophobicContact CB-CD2 4.47Å; K1045-L1050 HydrophobicContact CD-CD2 4Å; D1048-L1050 HydrophobicContact CB-CD2 4.34Å; D1048-L1050 PolarHBondContact O-N 3.48Å; D1048-L1050 VanDerWaalsContact O-N 3.14Å; L1050-Q1052 PolarHBondContact O-N 3.48Å; L1050-D1053 PolarHBondContact O-N 2.93Å; L1050-M1054 VanDerWaalsContact O-CG 3.29Å; L1050-M1054 WeakPolarHBondContact O-CG 3.5Å; L1050-M1054 PolarHBondContact O-N 3.24Å; L1050-A1083 HydrophobicContact CB-CB 4.24Å; L1050-I1091 HydrophobicContact CD1-CD1 4.08Å; L1050-I1091 HydrophobicContact CD1-CG1 3.89Å; L1050-I1091 HydrophobicContact CD2-CD1 4.13Å |
| 1051 | R | 94.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 18.5 Ų | 18.5 | 9% | 0.091 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.2 | -30.3 | 174.6 | -63.5 | 176.7 | -62 | 158.2 | 5 | 111.3 | E920 D1049 L1055 A1083 S1283 L1285 | E920-R1051 IonicContact OE2-NH1 3.58Å; D1049-R1051 PolarHBondContact O-N 2.72Å; D1049-R1051 VanDerWaalsContact OD1-CB 3.27Å; D1049-R1051 WeakPolarHBondContact OD1-CB 3.43Å; D1049-R1051 VanDerWaalsContact OD1-CG 3.29Å; D1049-R1051 WeakPolarHBondContact OD1-CG 3.45Å; D1049-R1051 IonicContact OD1-CZ 2.75Å; D1049-R1051 PolarHBondContact OD1-N 3.17Å; D1049-R1051 VanDerWaalsContact OD1-N 3.12Å; D1049-R1051 IonicContact OD1-NE 3.55Å; D1049-R1051 PolarHBondContact OD1-NE 3.37Å; D1049-R1051 IonicContact OD1-NH2 3.86Å; D1049-R1051 IonicContact OD2-CZ 2.77Å; D1049-R1051 IonicContact OD2-NE 2.85Å; D1049-R1051 PolarHBondContact OD2-NE 2.92Å; D1049-R1051 IonicContact OD2-NH2 3.09Å; D1049-R1051 PolarHBondContact OD2-NH2 3.42Å; R1051-L1055 WeakPolarHBondContact O-CB 3.45Å; R1051-L1055 PolarHBondContact O-N 3.19Å; R1051-A1083 HydrophobicContact CG-CB 3.71Å; R1051-S1283 PolarHBondContact NH1-O 3.31Å; R1051-L1285 HydrophobicContact CB-CD2 3.8Å |
| 1052 | Q | 93.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 15.9 Ų | 15.9 | 6% | 0.061 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.2 | -45.1 | 175.5 | -173.9 | 167.3 | -37.5 | 0 | 0 | 112.2 | D1049 L1050 M1054 L1055 T1056 F1189 G1190 I1192 L1285 E1287 | D1049-Q1052 PolarHBondContact O-N 3.04Å; L1050-Q1052 PolarHBondContact O-N 3.48Å; Q1052-M1054 VanDerWaalsContact C-N 3.32Å; Q1052-M1054 PolarHBondContact O-N 3.43Å; Q1052-L1055 PolarHBondContact O-N 3.49Å; Q1052-T1056 PolarHBondContact O-N 3.31Å; Q1052-T1056 PolarHBondContact O-OG1 3.38Å; Q1052-F1189 PolarHBondContact NE2-O 3.15Å; Q1052-G1190 PolarHBondContact NE2-O 3.06Å; Q1052-I1192 HydrophobicContact CG-CD1 3.98Å; Q1052-I1192 HydrophobicContact CG-CG1 4.32Å; Q1052-L1285 HydrophobicContact CB-CD2 3.98Å; Q1052-E1287 PolarHBondContact NE2-OE2 3.22Å |
| 1053 | D | 95 | Very high | 95.3 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.6 | -69.3 | -97.8 | 0 | 0 | 0 | 111.1 | L1050 T1056 L1057 F1189 | L1050-D1053 PolarHBondContact O-N 2.93Å; D1053-T1056 PolarHBondContact O-N 3.48Å; D1053-L1057 WeakPolarHBondContact O-CB 3.21Å; D1053-L1057 WeakPolarHBondContact O-CD1 3.44Å; D1053-L1057 WeakPolarHBondContact O-CG 3.29Å; D1053-L1057 PolarHBondContact O-N 3.44Å; D1053-F1189 PolarHBondContact OD1-N 3.35Å |
| 1054 | M | 95.9 | Very high | 95.2 | Very high | 14 Ų | 14 | 14.6 Ų | 14.6 | 7% | 0.069 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 175.3 | -71.9 | 179.9 | 69.8 | 0 | 0 | 112.6 | H916 L1050 Q1052 T1056 L1057 Q1058 C1081 F1082 A1083 | H916-M1054 WeakPolarHBondContact CE1-CE 3.4Å; H916-M1054 VanDerWaalsContact ND1-CE 3.33Å; H916-M1054 WeakPolarHBondContact ND1-CE 3.43Å; L1050-M1054 VanDerWaalsContact O-CG 3.29Å; L1050-M1054 WeakPolarHBondContact O-CG 3.5Å; L1050-M1054 PolarHBondContact O-N 3.24Å; Q1052-M1054 VanDerWaalsContact C-N 3.32Å; Q1052-M1054 PolarHBondContact O-N 3.43Å; M1054-T1056 VanDerWaalsContact C-N 3.32Å; M1054-T1056 PolarHBondContact O-N 2.86Å; M1054-L1057 PolarHBondContact O-N 3.12Å; M1054-Q1058 VanDerWaalsContact O-CB 3.28Å; M1054-Q1058 WeakPolarHBondContact O-CB 3.49Å; M1054-Q1058 PolarHBondContact O-N 3.31Å; M1054-C1081 HydrophobicContact CG-CB 4.41Å; M1054-C1081 WeakPolarHBondContact CG-O 3.38Å; M1054-F1082 HydrophobicContact CE-CD1 3.8Å; M1054-F1082 HydrophobicContact CE-CE1 4.48Å; M1054-A1083 HydrophobicContact SD-CB 3.59Å; M1054-A1083 VanDerWaalsContact SD-CB 3.59Å; M1054-A1083 PolarHBondContact SD-N 3.34Å |
| 1055 | L | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 177.1 | 174.7 | 58.3 | 0 | 0 | 0 | 110.8 | L878 R1051 Q1052 Q1058 L1059 L1277 M1280 L1285 L1288 | L878-L1055 HydrophobicContact CD2-CB 4.22Å; L878-L1055 HydrophobicContact CD2-CD1 4.36Å; R1051-L1055 WeakPolarHBondContact O-CB 3.45Å; R1051-L1055 PolarHBondContact O-N 3.19Å; Q1052-L1055 PolarHBondContact O-N 3.49Å; L1055-Q1058 PolarHBondContact O-N 3.35Å; L1055-L1059 HydrophobicContact CD1-CD1 3.95Å; L1055-L1059 HydrophobicContact CD1-CG 4.08Å; L1055-L1059 HydrophobicContact CG-CD1 4.06Å; L1055-L1059 WeakPolarHBondContact O-CG 3.46Å; L1055-L1059 PolarHBondContact O-N 3.14Å; L1055-L1277 HydrophobicContact CD2-CD2 4.42Å; L1055-M1280 HydrophobicContact CD1-CE 4.48Å; L1055-M1280 HydrophobicContact CD1-CG 3.74Å; L1055-M1280 HydrophobicContact CD1-SD 4.44Å; L1055-M1280 HydrophobicContact CD2-CB 4.21Å; L1055-M1280 HydrophobicContact CD2-CE 4.4Å; L1055-M1280 HydrophobicContact CD2-CG 4.08Å; L1055-L1285 HydrophobicContact CD2-CD1 3.85Å; L1055-L1288 HydrophobicContact CD2-CD2 3.88Å |
| 1056 | T | 96 | Very high | 94.9 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.012 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | -179.1 | -54 | 0 | 0 | 0 | 0 | 111.4 | Q1052 D1053 M1054 L1059 L1060 I1168 F1189 | Q1052-T1056 PolarHBondContact O-N 3.31Å; Q1052-T1056 PolarHBondContact O-OG1 3.38Å; D1053-T1056 PolarHBondContact O-N 3.48Å; M1054-T1056 VanDerWaalsContact C-N 3.32Å; M1054-T1056 PolarHBondContact O-N 2.86Å; T1056-L1059 PolarHBondContact O-N 3.17Å; T1056-L1060 HydrophobicContact CG2-CD1 4.29Å; T1056-L1060 VanDerWaalsContact O-CG 3.3Å; T1056-L1060 WeakPolarHBondContact O-CG 3.45Å; T1056-L1060 PolarHBondContact O-N 3.29Å; T1056-I1168 HydrophobicContact CG2-CD1 3.65Å; T1056-I1168 HydrophobicContact CG2-CG1 4.41Å; T1056-F1189 HydrophobicContact CG2-CB 3.84Å; T1056-F1189 HydrophobicContact CG2-CD1 3.57Å; T1056-F1189 HydrophobicContact CG2-CD2 3.94Å; T1056-F1189 HydrophobicContact CG2-CE1 4.05Å; T1056-F1189 HydrophobicContact CG2-CE2 4.37Å; T1056-F1189 HydrophobicContact CG2-CG 3.5Å; T1056-F1189 HydrophobicContact CG2-CZ 4.42Å |
| 1057 | L | 96.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 5% | 0.052 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 177.4 | -75 | 162.3 | 0 | 0 | 0 | 112.5 | D1053 M1054 L1060 K1061 Y1079 C1081 F1189 | D1053-L1057 WeakPolarHBondContact O-CB 3.21Å; D1053-L1057 WeakPolarHBondContact O-CD1 3.44Å; D1053-L1057 WeakPolarHBondContact O-CG 3.29Å; D1053-L1057 PolarHBondContact O-N 3.44Å; M1054-L1057 PolarHBondContact O-N 3.12Å; L1057-L1060 PolarHBondContact O-N 3.04Å; L1057-K1061 WeakPolarHBondContact O-CB 3.42Å; L1057-K1061 PolarHBondContact O-N 2.8Å; L1057-Y1079 HydrophobicContact CD1-CD2 3.97Å; L1057-Y1079 HydrophobicContact CD1-CE2 3.55Å; L1057-Y1079 HydrophobicContact CD2-CD1 4.01Å; L1057-Y1079 HydrophobicContact CD2-CD2 4.33Å; L1057-Y1079 HydrophobicContact CD2-CE1 3.78Å; L1057-Y1079 HydrophobicContact CD2-CE2 4.12Å; L1057-Y1079 HydrophobicContact CD2-CG 4.28Å; L1057-Y1079 HydrophobicContact CG-CE2 4.42Å; L1057-C1081 HydrophobicContact CD1-CB 3.46Å; L1057-C1081 VanDerWaalsContact CD1-CB 3.46Å; L1057-F1189 HydrophobicContact CD2-CE2 3.8Å; L1057-F1189 HydrophobicContact CD2-CZ 4.48Å; L1057-F1189 HydrophobicContact CG-CD2 4.31Å; L1057-F1189 HydrophobicContact CG-CE2 3.86Å |
| 1058 | Q | 96.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 14.7 Ų | 14.7 | 11% | 0.112 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 174 | -179.5 | -130.5 | -30.2 | 0 | 0 | 111.3 | D875 Q879 M1054 L1055 K1061 L1062 | D875-Q1058 PolarHBondContact O-NE2 3.19Å; Q879-Q1058 VanDerWaalsContact NE2-NE2 3.11Å; M1054-Q1058 VanDerWaalsContact O-CB 3.28Å; M1054-Q1058 WeakPolarHBondContact O-CB 3.49Å; M1054-Q1058 PolarHBondContact O-N 3.31Å; L1055-Q1058 PolarHBondContact O-N 3.35Å; Q1058-K1061 WeakPolarHBondContact O-CB 3.28Å; Q1058-K1061 PolarHBondContact O-N 3.32Å; Q1058-L1062 PolarHBondContact O-N 3.28Å |
| 1059 | L | 96.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 176.1 | -69.8 | 171.8 | 0 | 0 | 0 | 111.9 | L1055 T1056 K1061 L1062 M1063 L1166 L1277 | L1055-L1059 HydrophobicContact CD1-CD1 3.95Å; L1055-L1059 HydrophobicContact CD1-CG 4.08Å; L1055-L1059 HydrophobicContact CG-CD1 4.06Å; L1055-L1059 WeakPolarHBondContact O-CG 3.46Å; L1055-L1059 PolarHBondContact O-N 3.14Å; T1056-L1059 PolarHBondContact O-N 3.17Å; L1059-K1061 VanDerWaalsContact C-N 3.33Å; L1059-K1061 PolarHBondContact O-N 2.72Å; L1059-L1062 HydrophobicContact CD2-CD2 4.47Å; L1059-L1062 WeakPolarHBondContact O-CB 3.38Å; L1059-L1062 PolarHBondContact O-N 2.87Å; L1059-M1063 VanDerWaalsContact O-CG 3.27Å; L1059-M1063 WeakPolarHBondContact O-CG 3.42Å; L1059-M1063 PolarHBondContact O-N 3.31Å; L1059-L1166 HydrophobicContact CB-CD1 4.21Å; L1059-L1166 HydrophobicContact CD1-CD2 3.98Å; L1059-L1277 HydrophobicContact CD1-CD2 3.6Å; L1059-L1277 HydrophobicContact CD1-CG 4.12Å |
| 1060 | L | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 173.1 | -73.6 | 171 | 0 | 0 | 0 | 111.7 | T1056 L1057 M1063 D1064 L1076 Y1159 A1162 F1189 | T1056-L1060 HydrophobicContact CG2-CD1 4.29Å; T1056-L1060 VanDerWaalsContact O-CG 3.3Å; T1056-L1060 WeakPolarHBondContact O-CG 3.45Å; T1056-L1060 PolarHBondContact O-N 3.29Å; L1057-L1060 PolarHBondContact O-N 3.04Å; L1060-M1063 PolarHBondContact O-N 2.95Å; L1060-D1064 WeakPolarHBondContact O-CB 3.31Å; L1060-D1064 PolarHBondContact O-N 3.3Å; L1060-L1076 HydrophobicContact CB-CD1 4.4Å; L1060-L1076 HydrophobicContact CD2-CD1 4.13Å; L1060-Y1159 HydrophobicContact CD1-CE1 4Å; L1060-Y1159 HydrophobicContact CD2-CD1 4.49Å; L1060-Y1159 HydrophobicContact CD2-CE1 4.26Å; L1060-A1162 HydrophobicContact CD2-CB 3.55Å; L1060-F1189 HydrophobicContact CD1-CE1 4.18Å; L1060-F1189 HydrophobicContact CD1-CE2 4.37Å; L1060-F1189 HydrophobicContact CD1-CZ 3.75Å |
| 1061 | K | 95.3 | Very high | 95.3 | Very high | 58 Ų | 58 | 22 Ų | 22 | 25% | 0.252 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 175.7 | -170 | -172.2 | 173.9 | -135.6 | 0 | 111.8 | D875 L1057 Q1058 L1059 D1064 R1065 | D875-K1061 IonicContact OD1-NZ 3.85Å; D875-K1061 PolarHBondContact OD1-NZ 2.91Å; L1057-K1061 WeakPolarHBondContact O-CB 3.42Å; L1057-K1061 PolarHBondContact O-N 2.8Å; Q1058-K1061 WeakPolarHBondContact O-CB 3.28Å; Q1058-K1061 PolarHBondContact O-N 3.32Å; L1059-K1061 VanDerWaalsContact C-N 3.33Å; L1059-K1061 PolarHBondContact O-N 2.72Å; K1061-D1064 PolarHBondContact O-N 3.26Å; K1061-R1065 PolarHBondContact O-N 3.09Å |
| 1062 | L | 94.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.2 | 174.8 | 68 | 0 | 0 | 0 | 111.6 | Y876 Q1058 L1059 D1064 R1065 I1066 L1272 L1276 | Y876-L1062 HydrophobicContact CE1-CD1 4.49Å; Q1058-L1062 PolarHBondContact O-N 3.28Å; L1059-L1062 HydrophobicContact CD2-CD2 4.47Å; L1059-L1062 WeakPolarHBondContact O-CB 3.38Å; L1059-L1062 PolarHBondContact O-N 2.87Å; L1062-D1064 VanDerWaalsContact C-N 3.33Å; L1062-D1064 PolarHBondContact O-N 3.18Å; L1062-R1065 VanDerWaalsContact CD1-NH2 3.28Å; L1062-R1065 WeakPolarHBondContact O-CB 3.43Å; L1062-R1065 PolarHBondContact O-N 3.07Å; L1062-I1066 HydrophobicContact CD1-CD1 4.23Å; L1062-I1066 HydrophobicContact CD1-CG1 4.44Å; L1062-I1066 HydrophobicContact CG-CD1 3.98Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.22Å; L1062-I1066 PolarHBondContact O-N 2.88Å; L1062-L1272 HydrophobicContact CD1-CD2 4.1Å; L1062-L1272 HydrophobicContact CD2-CD2 4.4Å; L1062-L1272 HydrophobicContact CD2-CG 4.47Å; L1062-L1276 HydrophobicContact CD2-CD1 3.32Å |
| 1063 | M | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 177.1 | -70.8 | 177.7 | 177.1 | 0 | 0 | 111.4 | L1059 L1060 R1065 I1066 W1067 A1162 I1165 L1166 L1266 I1273 | L1059-M1063 VanDerWaalsContact O-CG 3.27Å; L1059-M1063 WeakPolarHBondContact O-CG 3.42Å; L1059-M1063 PolarHBondContact O-N 3.31Å; L1060-M1063 PolarHBondContact O-N 2.95Å; M1063-R1065 VanDerWaalsContact C-N 3.33Å; M1063-R1065 PolarHBondContact O-N 2.79Å; M1063-I1066 PolarHBondContact O-N 2.76Å; M1063-W1067 HydrophobicContact CB-CE3 4.46Å; M1063-W1067 HydrophobicContact CB-CH2 4.23Å; M1063-W1067 HydrophobicContact CB-CZ3 4.19Å; M1063-W1067 VanDerWaalsContact O-CD2 3.25Å; M1063-W1067 PolarHBondContact O-N 3.43Å; M1063-A1162 HydrophobicContact SD-CB 3.65Å; M1063-I1165 HydrophobicContact CE-CG2 4.19Å; M1063-L1166 HydrophobicContact CE-CD1 3.96Å; M1063-L1166 HydrophobicContact CE-CD2 3.73Å; M1063-L1166 HydrophobicContact CE-CG 3.72Å; M1063-L1166 HydrophobicContact SD-CD1 4.34Å; M1063-L1266 HydrophobicContact CB-CD1 4.24Å; M1063-L1266 HydrophobicContact CB-CD2 3.88Å; M1063-L1266 HydrophobicContact CE-CD1 4.1Å; M1063-L1266 HydrophobicContact CG-CD1 3.79Å; M1063-L1266 HydrophobicContact CG-CD2 3.77Å; M1063-L1266 HydrophobicContact CG-CG 4.45Å; M1063-L1266 HydrophobicContact SD-CD1 3.72Å; M1063-I1273 HydrophobicContact CE-CD1 4.42Å |
| 1064 | D | 95.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 174.6 | -169.3 | 58.2 | 0 | 0 | 0 | 111.9 | L1060 K1061 L1062 W1067 K1068 L1076 | L1060-D1064 WeakPolarHBondContact O-CB 3.31Å; L1060-D1064 PolarHBondContact O-N 3.3Å; K1061-D1064 PolarHBondContact O-N 3.26Å; L1062-D1064 VanDerWaalsContact C-N 3.33Å; L1062-D1064 PolarHBondContact O-N 3.18Å; D1064-W1067 PolarHBondContact O-N 3.21Å; D1064-K1068 WeakPolarHBondContact O-CB 3.19Å; D1064-K1068 VanDerWaalsContact O-CG 3.27Å; D1064-K1068 WeakPolarHBondContact O-CG 3.48Å; D1064-K1068 PolarHBondContact O-N 2.87Å; D1064-K1068 IonicContact OD1-NZ 2.85Å; D1064-K1068 WeakPolarHBondContact OD2-CD 3.38Å; D1064-K1068 WeakPolarHBondContact OD2-CE 3.45Å; D1064-K1068 IonicContact OD2-NZ 3.93Å; D1064-K1068 PolarHBondContact OD2-NZ 3.12Å; D1064-L1076 HydrophobicContact CB-CB 4.15Å; D1064-L1076 HydrophobicContact CB-CD1 4.15Å; D1064-L1076 HydrophobicContact CB-CG 4.35Å |
| 1065 | R | 93.3 | Very high | 95.4 | Very high | 42 Ų | 42 | 22.3 Ų | 22.3 | 16% | 0.158 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62 | -48.9 | 176.1 | -179.6 | 169.8 | 65.7 | 83.4 | -5.7 | 112 | D875 Y876 K1061 L1062 M1063 W1067 K1068 E1069 | D875-R1065 IonicContact OD2-CZ 2.74Å; D875-R1065 IonicContact OD2-NE 2.9Å; D875-R1065 PolarHBondContact OD2-NE 2.77Å; D875-R1065 IonicContact OD2-NH2 3.58Å; Y876-R1065 PolarHBondContact OH-NH2 2.87Å; K1061-R1065 PolarHBondContact O-N 3.09Å; L1062-R1065 VanDerWaalsContact CD1-NH2 3.28Å; L1062-R1065 WeakPolarHBondContact O-CB 3.43Å; L1062-R1065 PolarHBondContact O-N 3.07Å; M1063-R1065 VanDerWaalsContact C-N 3.33Å; M1063-R1065 PolarHBondContact O-N 2.79Å; R1065-W1067 VanDerWaalsContact C-N 3.31Å; R1065-W1067 PolarHBondContact O-N 2.87Å; R1065-K1068 PolarHBondContact O-N 2.75Å; R1065-K1068 VanDerWaalsContact O-N 3.13Å; R1065-E1069 WeakPolarHBondContact CD-OE1 3.31Å; R1065-E1069 HydrophobicContact CG-CG 4.25Å; R1065-E1069 WeakPolarHBondContact CG-OE1 3.49Å; R1065-E1069 IonicContact CZ-OE1 3.76Å; R1065-E1069 IonicContact NE-OE1 3.78Å; R1065-E1069 IonicContact NH1-OE1 3.24Å; R1065-E1069 PolarHBondContact NH1-OE1 3.03Å; R1065-E1069 IonicContact NH1-OE2 2.81Å; R1065-E1069 PolarHBondContact NH1-OE2 2.97Å; R1065-E1069 WeakPolarHBondContact O-CB 3.27Å; R1065-E1069 WeakPolarHBondContact O-CG 3.23Å; R1065-E1069 PolarHBondContact O-N 2.68Å |
| 1066 | I | 95.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.2 | -48.8 | 177.9 | -70.3 | 163.7 | 0 | 0 | 0 | 110.1 | L1062 M1063 K1068 E1069 E1070 L1266 H1269 | L1062-I1066 HydrophobicContact CD1-CD1 4.23Å; L1062-I1066 HydrophobicContact CD1-CG1 4.44Å; L1062-I1066 HydrophobicContact CG-CD1 3.98Å; L1062-I1066 WeakPolarHBondContact O-CG1 3.22Å; L1062-I1066 PolarHBondContact O-N 2.88Å; M1063-I1066 PolarHBondContact O-N 2.76Å; I1066-K1068 PolarHBondContact O-N 3.46Å; I1066-E1069 PolarHBondContact O-N 2.77Å; I1066-E1070 WeakPolarHBondContact O-CG 3.32Å; I1066-E1070 PolarHBondContact O-N 3.49Å; I1066-L1266 HydrophobicContact CB-CD2 4.33Å; I1066-L1266 HydrophobicContact CD1-CD2 4.28Å; I1066-L1266 HydrophobicContact CG2-CD2 4.17Å; I1066-H1269 HydrophobicContact CD1-CB 3.8Å |
| 1067 | W | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 178 | -65.1 | -41 | 0 | 0 | 0 | 112.2 | M1063 D1064 R1065 E1069 E1070 G1071 M1072 M1074 L1076 V1161 A1162 A1262 L1266 | M1063-W1067 HydrophobicContact CB-CE3 4.46Å; M1063-W1067 HydrophobicContact CB-CH2 4.23Å; M1063-W1067 HydrophobicContact CB-CZ3 4.19Å; M1063-W1067 VanDerWaalsContact O-CD2 3.25Å; M1063-W1067 PolarHBondContact O-N 3.43Å; D1064-W1067 PolarHBondContact O-N 3.21Å; R1065-W1067 VanDerWaalsContact C-N 3.31Å; R1065-W1067 PolarHBondContact O-N 2.87Å; W1067-E1069 PolarHBondContact O-N 2.98Å; W1067-E1070 CarbonylContact O-C 3.58Å; W1067-E1070 PolarHBondContact O-N 2.92Å; W1067-E1070 VanDerWaalsContact O-N 3.14Å; W1067-G1071 PolarHBondContact O-N 3.36Å; W1067-M1072 CarbonylContact C-O 3.56Å; W1067-M1072 HydrophobicContact CB-CB 4.32Å; W1067-M1072 WeakPolarHBondContact CB-O 3.47Å; W1067-M1072 CarbonylContact O-C 3.47Å; W1067-M1072 WeakPolarHBondContact O-CA 3.41Å; W1067-M1072 PolarHBondContact O-N 3.45Å; W1067-M1074 HydrophobicContact CB-CG 4.02Å; W1067-M1074 HydrophobicContact CD2-CB 4.24Å; W1067-M1074 HydrophobicContact CD2-CG 3.49Å; W1067-M1074 VanDerWaalsContact CD2-CG 3.49Å; W1067-M1074 HydrophobicContact CE3-CB 3.48Å; W1067-M1074 VanDerWaalsContact CE3-CB 3.48Å; W1067-M1074 HydrophobicContact CE3-CG 3.27Å; W1067-M1074 HydrophobicContact CG-CG 3.85Å; W1067-M1074 HydrophobicContact CH2-CG 4.5Å; W1067-M1074 HydrophobicContact CZ3-CB 3.76Å; W1067-M1074 HydrophobicContact CZ3-CG 3.81Å; W1067-L1076 HydrophobicContact CE3-CD1 4.38Å; W1067-L1076 HydrophobicContact CH2-CD1 4.39Å; W1067-L1076 HydrophobicContact CZ3-CD1 3.55Å; W1067-L1076 HydrophobicContact CZ3-CD2 4.36Å; W1067-L1076 HydrophobicContact CZ3-CG 3.92Å; W1067-V1161 HydrophobicContact CZ2-CB 4.42Å; W1067-V1161 HydrophobicContact CZ2-CG1 4.17Å; W1067-A1162 HydrophobicContact CH2-CB 4.44Å; W1067-A1262 HydrophobicContact CZ2-CB 4.1Å; W1067-A1262 PolarHBondContact NE1-O 3.4Å; W1067-L1266 HydrophobicContact CD2-CD2 4.5Å; W1067-L1266 HydrophobicContact CH2-CD1 4.13Å; W1067-L1266 HydrophobicContact CZ2-CD1 3.36Å; W1067-L1266 HydrophobicContact CZ2-CD2 4.12Å; W1067-L1266 HydrophobicContact CZ2-CG 3.71Å |
| 1068 | K | 95.5 | Very high | 95 | Very high | 14 Ų | 14 | 26 Ų | 26 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 179.4 | -76.1 | 176.4 | 174.7 | 172.2 | 0 | 112.6 | Q181 S182 E283 D1064 R1065 I1066 E1070 G1071 M1072 D1073 | Q181-K1068 PolarHBondContact N-O 3.11Å; S182-K1068 WeakPolarHBondContact CB-O 3.18Å; S182-K1068 PolarHBondContact N-O 3.41Å; S182-K1068 WeakPolarHBondContact OG-CB 3.31Å; S182-K1068 PolarHBondContact OG-O 3.32Å; E283-K1068 IonicContact OE2-NZ 3.1Å; E283-K1068 PolarHBondContact OE2-NZ 3.15Å; D1064-K1068 WeakPolarHBondContact O-CB 3.19Å; D1064-K1068 VanDerWaalsContact O-CG 3.27Å; D1064-K1068 WeakPolarHBondContact O-CG 3.48Å; D1064-K1068 PolarHBondContact O-N 2.87Å; D1064-K1068 IonicContact OD1-NZ 2.85Å; D1064-K1068 WeakPolarHBondContact OD2-CD 3.38Å; D1064-K1068 WeakPolarHBondContact OD2-CE 3.45Å; D1064-K1068 IonicContact OD2-NZ 3.93Å; D1064-K1068 PolarHBondContact OD2-NZ 3.12Å; R1065-K1068 PolarHBondContact O-N 2.75Å; R1065-K1068 VanDerWaalsContact O-N 3.13Å; I1066-K1068 PolarHBondContact O-N 3.46Å; K1068-E1070 PolarHBondContact O-N 3.16Å; K1068-G1071 PolarHBondContact O-N 2.86Å; K1068-G1071 VanDerWaalsContact O-N 3.15Å; K1068-M1072 PolarHBondContact N-O 2.91Å; K1068-M1072 VanDerWaalsContact N-O 3.16Å; K1068-D1073 WeakPolarHBondContact CE-OD1 3.4Å; K1068-D1073 HydrophobicContact CG-CB 4.34Å; K1068-D1073 IonicContact NZ-OD1 3.73Å |
| 1069 | E | 93.6 | Very high | 95 | Very high | 86 Ų | 86 | 25.5 Ų | 25.5 | 40% | 0.402 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.8 | -30.1 | 173.9 | -75.7 | 172.2 | -171.9 | 0 | 0 | 112.2 | Q181 R1065 I1066 W1067 G1071 | Q181-E1069 WeakPolarHBondContact CB-O 3.3Å; R1065-E1069 WeakPolarHBondContact CD-OE1 3.31Å; R1065-E1069 HydrophobicContact CG-CG 4.25Å; R1065-E1069 WeakPolarHBondContact CG-OE1 3.49Å; R1065-E1069 IonicContact CZ-OE1 3.76Å; R1065-E1069 IonicContact NE-OE1 3.78Å; R1065-E1069 IonicContact NH1-OE1 3.24Å; R1065-E1069 PolarHBondContact NH1-OE1 3.03Å; R1065-E1069 IonicContact NH1-OE2 2.81Å; R1065-E1069 PolarHBondContact NH1-OE2 2.97Å; R1065-E1069 WeakPolarHBondContact O-CB 3.27Å; R1065-E1069 WeakPolarHBondContact O-CG 3.23Å; R1065-E1069 PolarHBondContact O-N 2.68Å; I1066-E1069 PolarHBondContact O-N 2.77Å; W1067-E1069 PolarHBondContact O-N 2.98Å; E1069-G1071 VanDerWaalsContact C-N 3.31Å |
| 1070 | E | 93.4 | Very high | 94.9 | Very high | 110 Ų | 110 | 26.3 Ų | 26.3 | 51% | 0.514 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 8.5 | 175.7 | -68.4 | -71.2 | 158.7 | 0 | 0 | 113.3 | I1066 W1067 K1068 L1265 | I1066-E1070 WeakPolarHBondContact O-CG 3.32Å; I1066-E1070 PolarHBondContact O-N 3.49Å; W1067-E1070 CarbonylContact O-C 3.58Å; W1067-E1070 PolarHBondContact O-N 2.92Å; W1067-E1070 VanDerWaalsContact O-N 3.14Å; K1068-E1070 PolarHBondContact O-N 3.16Å; E1070-L1265 HydrophobicContact CB-CD1 3.76Å; E1070-L1265 HydrophobicContact CB-CD2 3.97Å; E1070-L1265 HydrophobicContact CB-CG 4.45Å; E1070-L1265 HydrophobicContact CG-CD1 4.37Å; E1070-L1265 HydrophobicContact CG-CD2 3.85Å |
| 1071 | G | 93.5 | Very high | 94.9 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 34% | 0.34 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 9.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | W1067 K1068 E1069 | W1067-G1071 PolarHBondContact O-N 3.36Å; K1068-G1071 PolarHBondContact O-N 2.86Å; K1068-G1071 VanDerWaalsContact O-N 3.15Å; E1069-G1071 VanDerWaalsContact C-N 3.31Å |
| 1072 | M | 94.4 | Very high | 95 | Very high | 32 Ų | 32 | 24.8 Ų | 24.8 | 16% | 0.158 | 14% | 0.14 | C | C | . | . | trans | -116.5 | 107.3 | -176.7 | -170.2 | 180 | -58.5 | 0 | 0 | 111.4 | W1067 K1068 M1074 M1154 L1258 K1261 A1262 L1265 | W1067-M1072 CarbonylContact C-O 3.56Å; W1067-M1072 HydrophobicContact CB-CB 4.32Å; W1067-M1072 WeakPolarHBondContact CB-O 3.47Å; W1067-M1072 CarbonylContact O-C 3.47Å; W1067-M1072 WeakPolarHBondContact O-CA 3.41Å; W1067-M1072 PolarHBondContact O-N 3.45Å; K1068-M1072 PolarHBondContact N-O 2.91Å; K1068-M1072 VanDerWaalsContact N-O 3.16Å; M1072-M1074 HydrophobicContact CG-CG 4.19Å; M1072-M1074 HydrophobicContact CG-SD 3.6Å; M1072-M1074 PolarHBondContact O-N 3.24Å; M1072-M1074 HydrophobicContact SD-CG 4.31Å; M1072-M1074 HydrophobicContact SD-SD 3.45Å; M1072-M1154 HydrophobicContact CG-CE 4.2Å; M1072-L1258 HydrophobicContact CE-CD1 4.45Å; M1072-L1258 HydrophobicContact SD-CD1 3.87Å; M1072-K1261 HydrophobicContact CE-CB 3.83Å; M1072-A1262 HydrophobicContact SD-CB 4.19Å; M1072-L1265 HydrophobicContact CE-CD1 3.94Å; M1072-L1265 HydrophobicContact SD-CD1 4.35Å | ||
| 1073 | D | 94.7 | Very high | 95.1 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | trans | -88.9 | 103.2 | 172.4 | -179.9 | 8.8 | 0 | 0 | 0 | 110.4 | K1068 C1075 M1154 | K1068-D1073 WeakPolarHBondContact CE-OD1 3.4Å; K1068-D1073 HydrophobicContact CG-CB 4.34Å; K1068-D1073 IonicContact NZ-OD1 3.73Å; D1073-C1075 PolarHBondContact O-N 2.91Å; D1073-C1075 WeakPolarHBondContact OD1-CA 3.46Å; D1073-C1075 PolarHBondContact OD1-N 2.91Å; D1073-M1154 WeakPolarHBondContact O-CE 3.44Å | ||
| 1074 | M | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -79.4 | 2.7 | 178.5 | -62.4 | -59.7 | -76.4 | 0 | 0 | 112.9 | W1067 M1072 L1076 M1154 S1155 A1157 G1158 L1258 A1262 | W1067-M1074 HydrophobicContact CB-CG 4.02Å; W1067-M1074 HydrophobicContact CD2-CB 4.24Å; W1067-M1074 HydrophobicContact CD2-CG 3.49Å; W1067-M1074 VanDerWaalsContact CD2-CG 3.49Å; W1067-M1074 HydrophobicContact CE3-CB 3.48Å; W1067-M1074 VanDerWaalsContact CE3-CB 3.48Å; W1067-M1074 HydrophobicContact CE3-CG 3.27Å; W1067-M1074 HydrophobicContact CG-CG 3.85Å; W1067-M1074 HydrophobicContact CH2-CG 4.5Å; W1067-M1074 HydrophobicContact CZ3-CB 3.76Å; W1067-M1074 HydrophobicContact CZ3-CG 3.81Å; M1072-M1074 HydrophobicContact CG-CG 4.19Å; M1072-M1074 HydrophobicContact CG-SD 3.6Å; M1072-M1074 PolarHBondContact O-N 3.24Å; M1072-M1074 HydrophobicContact SD-CG 4.31Å; M1072-M1074 HydrophobicContact SD-SD 3.45Å; M1074-L1076 PolarHBondContact O-N 3.08Å; M1074-M1154 WeakPolarHBondContact CE-O 3.38Å; M1074-M1154 CarbonylContact O-C 3.6Å; M1074-M1154 HydrophobicContact SD-CE 3.72Å; M1074-S1155 WeakPolarHBondContact O-CA 3.45Å; M1074-S1155 PolarHBondContact O-N 3.32Å; M1074-S1155 VanDerWaalsContact O-N 3.17Å; M1074-A1157 HydrophobicContact CE-CB 3.54Å; M1074-G1158 VanDerWaalsContact CE-CA 3.5Å; M1074-L1258 HydrophobicContact CE-CD1 4.38Å; M1074-L1258 HydrophobicContact CE-CD2 4.46Å; M1074-L1258 HydrophobicContact CE-CG 4.23Å; M1074-L1258 HydrophobicContact SD-CD1 4.02Å; M1074-L1258 HydrophobicContact SD-CG 4.48Å; M1074-A1262 HydrophobicContact CE-CB 3.79Å; M1074-A1262 HydrophobicContact SD-CB 4.32Å | ||
| 1075 | C | 95.4 | Very high | 95 | Very high | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.054 | 15% | 0.145 | C | C | . | . | trans | 55.9 | 35.4 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | D1073 T1151 M1154 S1155 R1183 | D1073-C1075 PolarHBondContact O-N 2.91Å; D1073-C1075 WeakPolarHBondContact OD1-CA 3.46Å; D1073-C1075 PolarHBondContact OD1-N 2.91Å; C1075-T1151 HydrophobicContact CB-CG2 4.32Å; C1075-M1154 HydrophobicContact CB-CB 4.31Å; C1075-S1155 VanDerWaalsContact O-CB 3.31Å; C1075-S1155 WeakPolarHBondContact O-CB 3.37Å; C1075-R1183 HydrophobicContact CB-CG 4.43Å | ||
| 1076 | L | 95.6 | Very high | 95 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | trans | -67.8 | 151.1 | 176.2 | -67.6 | -164.1 | 0 | 0 | 0 | 111.6 | L1060 D1064 W1067 M1074 Y1159 | L1060-L1076 HydrophobicContact CB-CD1 4.4Å; L1060-L1076 HydrophobicContact CD2-CD1 4.13Å; D1064-L1076 HydrophobicContact CB-CB 4.15Å; D1064-L1076 HydrophobicContact CB-CD1 4.15Å; D1064-L1076 HydrophobicContact CB-CG 4.35Å; W1067-L1076 HydrophobicContact CE3-CD1 4.38Å; W1067-L1076 HydrophobicContact CH2-CD1 4.39Å; W1067-L1076 HydrophobicContact CZ3-CD1 3.55Å; W1067-L1076 HydrophobicContact CZ3-CD2 4.36Å; W1067-L1076 HydrophobicContact CZ3-CG 3.92Å; M1074-L1076 PolarHBondContact O-N 3.08Å; L1076-Y1159 HydrophobicContact CD2-CD1 4.47Å; L1076-Y1159 HydrophobicContact CD2-CD2 3.58Å; L1076-Y1159 HydrophobicContact CD2-CE1 4.42Å; L1076-Y1159 HydrophobicContact CD2-CE2 3.45Å; L1076-Y1159 VanDerWaalsContact CD2-CE2 3.45Å; L1076-Y1159 HydrophobicContact CD2-CG 4.07Å | ||
| 1077 | T | 94.5 | Very high | 95 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | trans | -110.8 | 107.5 | 174.1 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | V1094 Y1159 F1185 | T1077-V1094 HydrophobicContact CG2-CG2 4.2Å; T1077-Y1159 PolarHBondContact N-OH 3.11Å; T1077-Y1159 VanDerWaalsContact N-OH 3.14Å; T1077-Y1159 PolarHBondContact O-OH 3.15Å; T1077-F1185 HydrophobicContact CG2-CD2 4.47Å; T1077-F1185 HydrophobicContact CG2-CG 4.27Å | ||
| 1078 | S | 91.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 32.3 Ų | 32.3 | 39% | 0.385 | 18% | 0.177 | S | C | . | . | trans | -101.7 | 84.2 | 173 | 61.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1079 | Y | 95.3 | Very high | 95 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | trans | -69.3 | 154 | 179.3 | 57.3 | -96.2 | 0 | 0 | 0 | 111.8 | L1057 C1081 I1091 V1094 F1185 I1187 F1189 | L1057-Y1079 HydrophobicContact CD1-CD2 3.97Å; L1057-Y1079 HydrophobicContact CD1-CE2 3.55Å; L1057-Y1079 HydrophobicContact CD2-CD1 4.01Å; L1057-Y1079 HydrophobicContact CD2-CD2 4.33Å; L1057-Y1079 HydrophobicContact CD2-CE1 3.78Å; L1057-Y1079 HydrophobicContact CD2-CE2 4.12Å; L1057-Y1079 HydrophobicContact CD2-CG 4.28Å; L1057-Y1079 HydrophobicContact CG-CE2 4.42Å; Y1079-C1081 PolarHBondContact O-N 3.17Å; Y1079-I1091 HydrophobicContact CD2-CG2 3.81Å; Y1079-I1091 HydrophobicContact CE2-CG2 3.65Å; Y1079-V1094 HydrophobicContact CD1-CG2 4.23Å; Y1079-V1094 HydrophobicContact CG-CG2 4.21Å; Y1079-F1185 HydrophobicContact CD1-CD2 4.39Å; Y1079-F1185 HydrophobicContact CE1-CD2 4.48Å; Y1079-I1187 HydrophobicContact CE1-CG2 3.75Å; Y1079-I1187 WeakPolarHBondContact OH-CA 3.49Å; Y1079-F1189 HydrophobicContact CE1-CE2 4.33Å; Y1079-F1189 VanDerWaalsContact OH-CE2 3.24Å; Y1079-F1189 WeakPolarHBondContact OH-CE2 3.45Å | ||
| 1080 | G | 94.7 | Very high | 95.2 | Very high | 22 Ų | 22 | 27.8 Ų | 27.8 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | trans | -64.3 | 131.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1092 | G1080-E1092 PolarHBondContact N-OE2 2.94Å; G1080-E1092 WeakPolarHBondContact O-CB 3.23Å; G1080-E1092 PolarHBondContact O-N 3.48Å | ||
| 1081 | C | 96.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 7% | 0.074 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 127.8 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | M1054 L1057 Y1079 I1090 | M1054-C1081 HydrophobicContact CG-CB 4.41Å; M1054-C1081 WeakPolarHBondContact CG-O 3.38Å; L1057-C1081 HydrophobicContact CD1-CB 3.46Å; L1057-C1081 VanDerWaalsContact CD1-CB 3.46Å; Y1079-C1081 PolarHBondContact O-N 3.17Å; C1081-I1090 WeakPolarHBondContact CA-O 3.29Å |
| 1082 | F | 97 | Very high | 95.5 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.2 | 169.4 | -73.4 | -31.6 | 0 | 0 | 0 | 110.3 | L911 R912 W915 P997 L998 M1054 T1084 G1089 I1090 | L911-F1082 HydrophobicContact CD2-CE2 4.33Å; L911-F1082 HydrophobicContact CG-CE2 4.29Å; R912-F1082 HydrophobicContact CG-CE1 3.94Å; R912-F1082 HydrophobicContact CG-CZ 3.71Å; W915-F1082 HydrophobicContact CB-CB 4.45Å; W915-F1082 HydrophobicContact CB-CD2 4.38Å; W915-F1082 HydrophobicContact CB-CG 4.28Å; W915-F1082 AromaticContact CD1-CD2 3.5Å; W915-F1082 VanDerWaalsContact CD1-CD2 3.5Å; W915-F1082 AromaticContact CD1-CE2 3.77Å; W915-F1082 HydrophobicContact CG-CD2 4.07Å; W915-F1082 HydrophobicContact CG-CG 4.38Å; P997-F1082 VanDerWaalsContact O-CD2 3.25Å; P997-F1082 WeakPolarHBondContact O-CD2 3.4Å; P997-F1082 WeakPolarHBondContact O-CE2 3.19Å; L998-F1082 HydrophobicContact CD2-CB 4.11Å; L998-F1082 HydrophobicContact CD2-CD2 3.67Å; L998-F1082 HydrophobicContact CD2-CE2 4.24Å; L998-F1082 HydrophobicContact CD2-CG 3.9Å; M1054-F1082 HydrophobicContact CE-CD1 3.8Å; M1054-F1082 HydrophobicContact CE-CE1 4.48Å; F1082-T1084 HydrophobicContact CB-CG2 4.22Å; F1082-G1089 CarbonylContact O-C 3.53Å; F1082-G1089 WeakPolarHBondContact O-CA 3.33Å; F1082-I1090 HydrophobicContact CB-CG2 4.47Å; F1082-I1090 PolarHBondContact N-O 3.49Å; F1082-I1090 PolarHBondContact O-N 2.66Å |
| 1083 | A | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 130.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | S919 L1050 R1051 M1054 M1088 | S919-A1083 WeakPolarHBondContact CB-O 3.24Å; L1050-A1083 HydrophobicContact CB-CB 4.24Å; R1051-A1083 HydrophobicContact CG-CB 3.71Å; M1054-A1083 HydrophobicContact SD-CB 3.59Å; M1054-A1083 VanDerWaalsContact SD-CB 3.59Å; M1054-A1083 PolarHBondContact SD-N 3.34Å; A1083-M1088 WeakPolarHBondContact CA-O 3.45Å |
| 1084 | T | 96.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | -7.3 | -175.1 | 59 | 0 | 0 | 0 | 0 | 113.1 | W915 L955 F1082 M1088 G1089 | W915-T1084 HydrophobicContact CD2-CG2 4Å; W915-T1084 HydrophobicContact CE3-CG2 3.65Å; W915-T1084 HydrophobicContact CH2-CG2 4.48Å; W915-T1084 HydrophobicContact CZ3-CG2 3.9Å; L955-T1084 HydrophobicContact CD1-CG2 3.8Å; F1082-T1084 HydrophobicContact CB-CG2 4.22Å; T1084-M1088 PolarHBondContact N-O 2.99Å; T1084-M1088 VanDerWaalsContact OG1-CE 3.23Å; T1084-M1088 WeakPolarHBondContact OG1-CE 3.43Å; T1084-G1089 WeakPolarHBondContact OG1-CA 3.36Å |
| 1085 | G | 93.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 17% | 0.165 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -168.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | S919 E1087 M1088 | S919-G1085 CarbonylContact O-C 3.54Å; G1085-E1087 PolarHBondContact O-N 2.71Å; G1085-M1088 PolarHBondContact O-N 3.3Å |
| 1086 | Y | 93 | Very high | 94.9 | Very high | 118 Ų | 118 | 34 Ų | 34 | 46% | 0.463 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 121.6 | 177.5 | -178.6 | -114.8 | 0 | 0 | 0 | 111.5 | H922 M1088 | H922-Y1086 HydrophobicContact CB-CD2 4.27Å; H922-Y1086 HydrophobicContact CB-CG 4.25Å; H922-Y1086 AromaticContact CD2-CD2 3.25Å; H922-Y1086 WeakPolarHBondContact CD2-CD2 3.41Å; H922-Y1086 AromaticContact CD2-CE2 3.8Å; H922-Y1086 AromaticContact CE1-CD2 3.77Å; H922-Y1086 AromaticContact CG-CD2 3.54Å; H922-Y1086 AromaticContact CG-CG 3.95Å; H922-Y1086 AromaticContact ND1-CD2 3.84Å; H922-Y1086 AromaticContact NE2-CD2 3.42Å; H922-Y1086 WeakPolarHBondContact NE2-CD2 3.45Å; H922-Y1086 AromaticContact NE2-CE2 3.92Å; Y1086-M1088 PolarHBondContact O-N 2.9Å; Y1086-M1088 VanDerWaalsContact O-N 3.08Å |
| 1087 | E | 93.9 | Very high | 94.8 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 35% | 0.346 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 33.8 | -177.1 | -60.5 | -169.9 | 150.1 | 0 | 0 | 113.5 | H1046 G1047 D1048 G1085 | H1046-E1087 CarbonylContact C-O 3.48Å; H1046-E1087 WeakPolarHBondContact CA-O 3.47Å; G1047-E1087 WeakPolarHBondContact CA-O 3.04Å; G1047-E1087 PolarHBondContact N-O 2.85Å; D1048-E1087 PolarHBondContact N-O 3.28Å; D1048-E1087 VanDerWaalsContact N-O 3.17Å; D1048-E1087 CarbonylContact O-C 3.46Å; D1048-E1087 WeakPolarHBondContact O-CA 3.38Å; D1048-E1087 VanDerWaalsContact O-O 3.07Å; G1085-E1087 PolarHBondContact O-N 2.71Å |
| 1088 | M | 95.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 155.9 | 178.6 | 65.1 | 171.8 | -83.2 | 0 | 0 | 113.4 | L955 E959 F1044 K1045 H1046 A1083 T1084 G1085 Y1086 | L955-M1088 HydrophobicContact CB-CE 4.23Å; E959-M1088 HydrophobicContact CB-CE 4.38Å; E959-M1088 HydrophobicContact CB-SD 4.11Å; E959-M1088 HydrophobicContact CG-SD 3.91Å; F1044-M1088 HydrophobicContact CE2-CE 3.55Å; F1044-M1088 HydrophobicContact CZ-CE 3.79Å; K1045-M1088 CarbonylContact O-C 3.58Å; K1045-M1088 VanDerWaalsContact O-CA 3.26Å; K1045-M1088 WeakPolarHBondContact O-CA 3.07Å; H1046-M1088 HydrophobicContact CB-CB 4.26Å; A1083-M1088 WeakPolarHBondContact CA-O 3.45Å; T1084-M1088 PolarHBondContact N-O 2.99Å; T1084-M1088 VanDerWaalsContact OG1-CE 3.23Å; T1084-M1088 WeakPolarHBondContact OG1-CE 3.43Å; G1085-M1088 PolarHBondContact O-N 3.3Å; Y1086-M1088 PolarHBondContact O-N 2.9Å; Y1086-M1088 VanDerWaalsContact O-N 3.08Å |
| 1089 | G | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | -168.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1045 F1082 T1084 | K1045-G1089 PolarHBondContact N-O 3.09Å; K1045-G1089 PolarHBondContact O-N 3.43Å; F1082-G1089 CarbonylContact O-C 3.53Å; F1082-G1089 WeakPolarHBondContact O-CA 3.33Å; T1084-G1089 WeakPolarHBondContact OG1-CA 3.36Å |
| 1090 | I | 97.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.4 | -174.3 | -155.1 | 158.4 | 0 | 0 | 0 | 110.8 | L955 P997 L998 L1042 I1043 C1081 F1082 | L955-I1090 HydrophobicContact CD2-CD1 4.42Å; P997-I1090 HydrophobicContact CB-CG2 4.22Å; P997-I1090 HydrophobicContact CG-CD1 4.2Å; L998-I1090 HydrophobicContact CD1-CG2 4.38Å; L998-I1090 HydrophobicContact CD2-CG2 3.69Å; L998-I1090 HydrophobicContact CG-CG2 3.82Å; L1042-I1090 HydrophobicContact CB-CD1 3.95Å; L1042-I1090 HydrophobicContact CB-CG1 3.92Å; L1042-I1090 HydrophobicContact CD1-CD1 3.61Å; L1042-I1090 HydrophobicContact CD1-CG1 4.26Å; L1042-I1090 HydrophobicContact CG-CD1 4.34Å; I1043-I1090 CarbonylContact O-C 3.56Å; I1043-I1090 WeakPolarHBondContact O-CA 3.47Å; C1081-I1090 WeakPolarHBondContact CA-O 3.29Å; F1082-I1090 HydrophobicContact CB-CG2 4.47Å; F1082-I1090 PolarHBondContact N-O 3.49Å; F1082-I1090 PolarHBondContact O-N 2.66Å |
| 1091 | I | 97.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.1 | -178.4 | -58.5 | 168.9 | 0 | 0 | 0 | 108.5 | L1042 I1043 K1045 L1050 Y1079 | L1042-I1091 WeakPolarHBondContact CA-O 2.92Å; I1043-I1091 HydrophobicContact CB-CB 4.27Å; I1043-I1091 PolarHBondContact N-O 3.3Å; I1043-I1091 PolarHBondContact O-N 3.42Å; K1045-I1091 HydrophobicContact CD-CD1 4.02Å; L1050-I1091 HydrophobicContact CD1-CD1 4.08Å; L1050-I1091 HydrophobicContact CD1-CG1 3.89Å; L1050-I1091 HydrophobicContact CD2-CD1 4.13Å; Y1079-I1091 HydrophobicContact CD2-CG2 3.81Å; Y1079-I1091 HydrophobicContact CE2-CG2 3.65Å |
| 1092 | E | 96.6 | Very high | 94.2 | Very high | 66 Ų | 66 | 36.7 Ų | 36.7 | 31% | 0.308 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.3 | 170.6 | -175 | -170 | 169.3 | 0 | 0 | 110 | L998 G1080 | L998-E1092 HydrophobicContact CD1-CB 3.75Å; G1080-E1092 PolarHBondContact N-OE2 2.94Å; G1080-E1092 WeakPolarHBondContact O-CB 3.23Å; G1080-E1092 PolarHBondContact O-N 3.48Å |
| 1093 | A | 94.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | trans | -84.5 | 116 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W1023 Q1041 R1095 | W1023-A1093 HydrophobicContact CH2-CB 3.65Å; W1023-A1093 HydrophobicContact CZ3-CB 3.78Å; Q1041-A1093 HydrophobicContact CB-CB 3.65Å; Q1041-A1093 WeakPolarHBondContact O-CB 3.37Å; Q1041-A1093 PolarHBondContact O-N 3.22Å; Q1041-A1093 VanDerWaalsContact O-N 3.13Å; A1093-R1095 PolarHBondContact O-N 3.26Å | ||
| 1094 | V | 93.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 37 Ų | 37 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | trans | -65.8 | 121.2 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | T1077 Y1079 S1097 F1185 | T1077-V1094 HydrophobicContact CG2-CG2 4.2Å; Y1079-V1094 HydrophobicContact CD1-CG2 4.23Å; Y1079-V1094 HydrophobicContact CG-CG2 4.21Å; V1094-S1097 PolarHBondContact O-OG 3.32Å; V1094-F1185 HydrophobicContact CB-CE1 4.41Å; V1094-F1185 HydrophobicContact CB-CE2 4.05Å; V1094-F1185 HydrophobicContact CB-CZ 3.63Å; V1094-F1185 HydrophobicContact CG1-CE1 3.99Å; V1094-F1185 HydrophobicContact CG1-CE2 4.43Å; V1094-F1185 HydrophobicContact CG1-CZ 3.72Å; V1094-F1185 HydrophobicContact CG2-CE2 3.76Å; V1094-F1185 HydrophobicContact CG2-CZ 3.86Å | ||
| 1095 | R | 88.8 | Confident | 92.2 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 154.7 | -175.6 | -65.7 | 172.3 | -69.3 | -172.7 | 2.2 | 112.4 | H1037 A1093 S1097 | H1037-R1095 PolarHBondContact CD2-NH1 3.03Å; H1037-R1095 PolarHBondContact CE1-NH1 3.25Å; H1037-R1095 PolarHBondContact CE1-NH2 3.42Å; H1037-R1095 PolarHBondContact ND1-NH1 3.05Å; H1037-R1095 PolarHBondContact NE2-NH1 3.02Å; H1037-R1095 VanDerWaalsContact NE2-NH1 3.13Å; A1093-R1095 PolarHBondContact O-N 3.26Å; R1095-S1097 PolarHBondContact O-N 3.14Å |
| 1096 | D | 89.5 | Confident | 91 | Very high | 124 Ų | 124 | 43.1 Ų | 43.1 | 66% | 0.663 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | 34.3 | 177.3 | -56.2 | -40.7 | 0 | 0 | 0 | 113.5 | D1179 S1180 | D1096-D1179 CarbonylContact O-C 3.59Å; D1096-S1180 PolarHBondContact O-N 2.61Å |
| 1097 | S | 94.1 | Very high | 89.3 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 151.3 | -177.9 | 75.8 | 0 | 0 | 0 | 0 | 111.5 | V1094 R1095 M1177 V1178 | V1094-S1097 PolarHBondContact O-OG 3.32Å; R1095-S1097 PolarHBondContact O-N 3.14Å; S1097-M1177 WeakPolarHBondContact OG-CE 3.26Å; S1097-V1178 WeakPolarHBondContact CA-O 3.4Å |
| 1098 | R | 94.1 | Very high | 87.3 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 144.6 | -179.7 | -78.6 | -170.7 | 73.4 | 166.2 | -4.4 | 110.6 | S1102 I1103 E1106 M1177 V1178 | R1098-S1102 WeakPolarHBondContact CB-OG 3.43Å; R1098-S1102 PolarHBondContact NE-OG 3.39Å; R1098-S1102 PolarHBondContact NH2-O 2.89Å; R1098-I1103 HydrophobicContact CB-CD1 4.1Å; R1098-I1103 HydrophobicContact CB-CG1 3.95Å; R1098-E1106 IonicContact CZ-OE1 3.35Å; R1098-E1106 IonicContact NH1-OE1 3.56Å; R1098-E1106 PolarHBondContact NH1-OE1 3.19Å; R1098-E1106 IonicContact NH2-OE1 2.69Å; R1098-E1106 PolarHBondContact NH2-OE1 3.46Å; R1098-M1177 CarbonylContact O-C 3.57Å; R1098-M1177 VanDerWaalsContact O-CA 3.26Å; R1098-M1177 WeakPolarHBondContact O-CA 3.35Å; R1098-V1178 PolarHBondContact N-O 2.94Å; R1098-V1178 PolarHBondContact O-N 3.47Å |
| 1099 | T | 94.1 | Very high | 85 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 146.4 | 171.3 | 67.4 | 0 | 0 | 0 | 0 | 109.5 | M1101 S1102 I1103 D1174 I1176 M1177 | T1099-M1101 PolarHBondContact O-N 2.9Å; T1099-S1102 PolarHBondContact N-OG 3.37Å; T1099-S1102 PolarHBondContact O-N 2.83Å; T1099-S1102 PolarHBondContact O-OG 2.94Å; T1099-S1102 WeakPolarHBondContact OG1-CB 3.09Å; T1099-S1102 PolarHBondContact OG1-N 3.41Å; T1099-S1102 VanDerWaalsContact OG1-N 3.11Å; T1099-S1102 PolarHBondContact OG1-OG 3.42Å; T1099-I1103 PolarHBondContact O-N 3.22Å; T1099-D1174 WeakPolarHBondContact CG2-O 3.28Å; T1099-I1176 CarbonylContact C-O 3.41Å; T1099-I1176 WeakPolarHBondContact CA-O 2.95Å; T1099-M1177 HydrophobicContact CG2-CE 4.27Å; T1099-M1177 HydrophobicContact CG2-CG 4.03Å; T1099-M1177 HydrophobicContact CG2-SD 4.49Å |
| 1100 | V | 92.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.1 | -37.4 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | S1102 I1103 Q1104 P1173 I1176 V1178 F1215 W1333 | V1100-S1102 PolarHBondContact O-N 3.1Å; V1100-I1103 PolarHBondContact O-N 2.93Å; V1100-Q1104 HydrophobicContact CG1-CG 4.28Å; V1100-Q1104 WeakPolarHBondContact O-CG 3.17Å; V1100-Q1104 PolarHBondContact O-N 3.25Å; V1100-P1173 HydrophobicContact CB-CB 4.16Å; V1100-P1173 HydrophobicContact CG1-CB 4.17Å; V1100-P1173 PolarHBondContact N-O 2.98Å; V1100-P1173 VanDerWaalsContact N-O 3.11Å; V1100-I1176 HydrophobicContact CG2-CB 4.13Å; V1100-I1176 HydrophobicContact CG2-CG2 3.88Å; V1100-I1176 WeakPolarHBondContact CG2-O 3.33Å; V1100-I1176 PolarHBondContact N-O 3.08Å; V1100-V1178 HydrophobicContact CG2-CG2 4.14Å; V1100-F1215 HydrophobicContact CG1-CE1 4.42Å; V1100-F1215 HydrophobicContact CG2-CE1 4.08Å; V1100-F1215 HydrophobicContact CG2-CZ 4.41Å; V1100-W1333 HydrophobicContact CG1-CZ3 4.34Å |
| 1101 | M | 89.1 | Confident | 80.3 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.1 | -49.6 | 173.7 | -168.1 | 66.4 | 87.4 | 0 | 0 | 112.1 | T1099 I1103 Q1104 G1105 P1173 D1174 W1337 | T1099-M1101 PolarHBondContact O-N 2.9Å; M1101-I1103 PolarHBondContact O-N 3.08Å; M1101-Q1104 PolarHBondContact O-N 3.39Å; M1101-G1105 PolarHBondContact O-N 2.87Å; M1101-P1173 HydrophobicContact CB-CB 3.84Å; M1101-P1173 HydrophobicContact CE-CB 3.94Å; M1101-P1173 HydrophobicContact CE-CG 4.2Å; M1101-P1173 PolarHBondContact N-O 2.66Å; M1101-P1173 HydrophobicContact SD-CB 4.09Å; M1101-D1174 WeakPolarHBondContact CB-OD1 3.45Å; M1101-D1174 WeakPolarHBondContact CE-OD2 2.84Å; M1101-D1174 WeakPolarHBondContact CG-OD1 3.32Å; M1101-W1337 HydrophobicContact CE-CB 3.64Å; M1101-W1337 HydrophobicContact CE-CG 3.97Å; M1101-W1337 HydrophobicContact SD-CB 4.03Å; M1101-W1337 HydrophobicContact SD-CG 3.77Å |
| 1102 | S | 89.7 | Confident | 77.9 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.2 | -27.4 | -177.9 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | R1098 T1099 V1100 | R1098-S1102 WeakPolarHBondContact CB-OG 3.43Å; R1098-S1102 PolarHBondContact NE-OG 3.39Å; R1098-S1102 PolarHBondContact NH2-O 2.89Å; T1099-S1102 PolarHBondContact N-OG 3.37Å; T1099-S1102 PolarHBondContact O-N 2.83Å; T1099-S1102 PolarHBondContact O-OG 2.94Å; T1099-S1102 WeakPolarHBondContact OG1-CB 3.09Å; T1099-S1102 PolarHBondContact OG1-N 3.41Å; T1099-S1102 VanDerWaalsContact OG1-N 3.11Å; T1099-S1102 PolarHBondContact OG1-OG 3.42Å; V1100-S1102 PolarHBondContact O-N 3.1Å |
| 1103 | I | 90 | Very high | 75.8 | Confident | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -77.4 | -43.3 | 176.7 | -63.4 | 168.1 | 0 | 0 | 0 | 110.1 | R1098 T1099 V1100 M1101 G1105 L1119 W1122 V1178 | R1098-I1103 HydrophobicContact CB-CD1 4.1Å; R1098-I1103 HydrophobicContact CB-CG1 3.95Å; T1099-I1103 PolarHBondContact O-N 3.22Å; V1100-I1103 PolarHBondContact O-N 2.93Å; M1101-I1103 PolarHBondContact O-N 3.08Å; I1103-G1105 VanDerWaalsContact C-N 3.32Å; I1103-G1105 PolarHBondContact O-N 2.91Å; I1103-L1119 HydrophobicContact CD1-CD1 3.83Å; I1103-L1119 HydrophobicContact CG2-CD1 4.24Å; I1103-W1122 HydrophobicContact CD1-CD2 3.98Å; I1103-W1122 HydrophobicContact CD1-CE3 4.07Å; I1103-W1122 HydrophobicContact CD1-CG 4.46Å; I1103-W1122 HydrophobicContact CD1-CH2 4.47Å; I1103-W1122 HydrophobicContact CD1-CZ2 4.36Å; I1103-W1122 HydrophobicContact CD1-CZ3 4.33Å; I1103-W1122 HydrophobicContact CG1-CD2 4.3Å; I1103-W1122 HydrophobicContact CG1-CG 4.4Å; I1103-W1122 HydrophobicContact CG2-CB 3.65Å; I1103-W1122 HydrophobicContact CG2-CD2 4.35Å; I1103-W1122 HydrophobicContact CG2-CG 3.73Å; I1103-V1178 HydrophobicContact CD1-CB 4.38Å |
| 1104 | Q | 83.6 | Confident | 74.1 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 9% | 0.089 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64 | -37 | 177 | -71.8 | 170.5 | -22.5 | 0 | 0 | 112.2 | V1100 M1101 E1106 D1214 | V1100-Q1104 HydrophobicContact CG1-CG 4.28Å; V1100-Q1104 WeakPolarHBondContact O-CG 3.17Å; V1100-Q1104 PolarHBondContact O-N 3.25Å; M1101-Q1104 PolarHBondContact O-N 3.39Å; Q1104-E1106 VanDerWaalsContact C-N 3.33Å; Q1104-E1106 PolarHBondContact O-N 3.42Å; Q1104-D1214 PolarHBondContact NE2-OD2 2.84Å |
| 1105 | G | 76.7 | Confident | 73.1 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -69.4 | -18.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | M1101 I1103 R1107 | M1101-G1105 PolarHBondContact O-N 2.87Å; I1103-G1105 VanDerWaalsContact C-N 3.32Å; I1103-G1105 PolarHBondContact O-N 2.91Å; G1105-R1107 PolarHBondContact O-N 3.49Å; G1105-R1107 VanDerWaalsContact O-N 3.07Å |
| 1106 | E | 68.7 | Low | 72.5 | Confident | 110 Ų | 110 | 75.8 Ų | 75.8 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -64.9 | -16 | -174.1 | -74.8 | -168.2 | 148.4 | 0 | 0 | 114.9 | R1098 Q1104 | R1098-E1106 IonicContact CZ-OE1 3.35Å; R1098-E1106 IonicContact NH1-OE1 3.56Å; R1098-E1106 PolarHBondContact NH1-OE1 3.19Å; R1098-E1106 IonicContact NH2-OE1 2.69Å; R1098-E1106 PolarHBondContact NH2-OE1 3.46Å; Q1104-E1106 VanDerWaalsContact C-N 3.33Å; Q1104-E1106 PolarHBondContact O-N 3.42Å |
| 1107 | R | 57.5 | Low | 72.3 | Confident | 163 Ų | 163 | 71 Ų | 71 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -140.4 | 48.6 | -175.2 | -87.1 | -173.5 | 166.8 | 174.2 | -2.8 | 113.1 | G1105 R1109 Q1118 | G1105-R1107 PolarHBondContact O-N 3.49Å; G1105-R1107 VanDerWaalsContact O-N 3.07Å; R1107-R1109 PolarHBondContact O-N 2.95Å; R1107-R1109 VanDerWaalsContact O-N 3.09Å; R1107-Q1118 VanDerWaalsContact CB-NE2 3.25Å |
| 1108 | L | 51.8 | Low | 72 | Confident | 82 Ų | 82 | 71 Ų | 71 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | trans | -70.4 | 103.7 | 166.6 | -124.9 | 95 | 0 | 0 | 0 | 109.9 | W1337 | L1108-W1337 HydrophobicContact CD1-CH2 3.9Å; L1108-W1337 HydrophobicContact CD1-CZ2 3.8Å; L1108-W1337 HydrophobicContact CD2-CH2 3.45Å; L1108-W1337 VanDerWaalsContact CD2-CH2 3.45Å; L1108-W1337 HydrophobicContact CD2-CZ2 3.96Å; L1108-W1337 HydrophobicContact CD2-CZ3 4.44Å; L1108-W1337 HydrophobicContact CG-CH2 4.32Å | ||
| 1109 | R | 47.1 | Very low | 71.9 | Confident | 228 Ų | 228 | 67.1 Ų | 67.1 | 86% | 0.86 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -88.3 | -17.9 | 169.4 | -77.2 | -172.7 | 176.4 | -179.7 | -1.6 | 112.9 | R1107 | R1107-R1109 PolarHBondContact O-N 2.95Å; R1107-R1109 VanDerWaalsContact O-N 3.09Å |
| 1110 | S | 47 | Very low | 71.8 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -173 | 151.8 | 174.7 | -72.8 | 0 | 0 | 0 | 0 | 111.1 | L1112 | S1110-L1112 PolarHBondContact O-N 3.31Š|
| 1111 | A | 49.3 | Very low | 71.7 | Confident | 67 Ų | 67 | 71.8 Ų | 71.8 | 55% | 0.554 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -0.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1112 | L | 46.5 | Very low | 71.8 | Confident | 164 Ų | 164 | 72 Ų | 72 | 86% | 0.859 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -6.9 | -167.7 | -79.6 | 157 | 0 | 0 | 0 | 115.6 | S1110 | S1110-L1112 PolarHBondContact O-N 3.31Š|
| 1113 | Q | 53.1 | Low | 72 | Confident | 180 Ų | 180 | 70.2 Ų | 70.2 | 84% | 0.841 | 35% | 0.354 | S | S | * | . | trans | -141.1 | 96.6 | 178.4 | -77.6 | -175.5 | -16.5 | 0 | 0 | 112 | D1115 | Q1113-D1115 PolarHBondContact O-N 3.18Š| ||
| 1114 | I | 59.8 | Low | 72 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | trans | -73.8 | 102.7 | 166 | -63.6 | -174.1 | 0 | 0 | 0 | 108.5 | S1116 K1330 F1334 | I1114-S1116 PolarHBondContact O-N 3.3Å; I1114-K1330 PolarHBondContact O-NZ 3.21Å; I1114-F1334 HydrophobicContact CD1-CD2 3.53Å; I1114-F1334 HydrophobicContact CD1-CE2 4.23Å; I1114-F1334 HydrophobicContact CD1-CG 4.49Å; I1114-F1334 HydrophobicContact CG1-CD2 4.22Å | ||
| 1115 | D | 72.5 | Confident | 72.3 | Confident | 62 Ų | 62 | 76.9 Ų | 76.9 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | trans | -62.5 | 108.3 | 175.6 | 177.4 | 7.8 | 0 | 0 | 0 | 110.8 | Q1113 S1117 Q1118 K1121 | Q1113-D1115 PolarHBondContact O-N 3.18Å; D1115-S1117 PolarHBondContact O-N 3.08Å; D1115-S1117 VanDerWaalsContact OD1-CB 3.32Å; D1115-S1117 WeakPolarHBondContact OD1-CB 3.49Å; D1115-S1117 PolarHBondContact OD1-N 3.08Å; D1115-S1117 PolarHBondContact OD1-OG 3.11Å; D1115-S1117 PolarHBondContact OD2-OG 2.94Å; D1115-Q1118 HydrophobicContact CB-CG 4.14Å; D1115-Q1118 WeakPolarHBondContact O-CG 3.16Å; D1115-Q1118 PolarHBondContact O-N 2.75Å; D1115-K1121 IonicContact OD2-NZ 2.63Å; D1115-K1121 PolarHBondContact OD2-NZ 3.44Å | ||
| 1116 | S | 76.5 | Confident | 73 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8.9 | -179.8 | -23.4 | 0 | 0 | 0 | 0 | 113.8 | I1114 D1214 K1330 | I1114-S1116 PolarHBondContact O-N 3.3Å; S1116-D1214 WeakPolarHBondContact CA-OD1 3.36Å; S1116-D1214 VanDerWaalsContact CB-OD1 3.29Å; S1116-D1214 WeakPolarHBondContact CB-OD1 3.29Å; S1116-K1330 PolarHBondContact OG-NZ 3.44Å |
| 1117 | S | 84.8 | Confident | 73.9 | Confident | 24 Ų | 24 | 72 Ų | 72 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -3.5 | -178.1 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | D1115 L1119 Y1120 K1121 | D1115-S1117 PolarHBondContact O-N 3.08Å; D1115-S1117 VanDerWaalsContact OD1-CB 3.32Å; D1115-S1117 WeakPolarHBondContact OD1-CB 3.49Å; D1115-S1117 PolarHBondContact OD1-N 3.08Å; D1115-S1117 PolarHBondContact OD1-OG 3.11Å; D1115-S1117 PolarHBondContact OD2-OG 2.94Å; S1117-L1119 PolarHBondContact O-N 3.09Å; S1117-Y1120 WeakPolarHBondContact O-CB 3Å; S1117-Y1120 PolarHBondContact O-N 2.69Å; S1117-K1121 VanDerWaalsContact O-CG 3.3Å; S1117-K1121 WeakPolarHBondContact O-CG 3.49Å; S1117-K1121 PolarHBondContact O-N 2.76Å; S1117-K1121 WeakPolarHBondContact OG-CE 3.13Å; S1117-K1121 PolarHBondContact OG-NZ 2.97Å |
| 1118 | Q | 88.1 | Confident | 75.3 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | -175.6 | -64.1 | -64.5 | 22 | 0 | 0 | 113.1 | R1107 D1115 Y1120 K1121 W1122 | R1107-Q1118 VanDerWaalsContact CB-NE2 3.25Å; D1115-Q1118 HydrophobicContact CB-CG 4.14Å; D1115-Q1118 WeakPolarHBondContact O-CG 3.16Å; D1115-Q1118 PolarHBondContact O-N 2.75Å; Q1118-Y1120 VanDerWaalsContact C-N 3.3Å; Q1118-Y1120 PolarHBondContact O-N 3.01Å; Q1118-K1121 PolarHBondContact O-N 3.27Å; Q1118-W1122 WeakPolarHBondContact O-CB 3.47Å; Q1118-W1122 PolarHBondContact O-N 3.33Å |
| 1119 | L | 91.2 | Very high | 77 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.5 | -179.1 | 59.6 | 0 | 0 | 0 | 111.4 | I1103 S1117 W1122 L1123 F1152 V1178 F1215 V1218 | I1103-L1119 HydrophobicContact CD1-CD1 3.83Å; I1103-L1119 HydrophobicContact CG2-CD1 4.24Å; S1117-L1119 PolarHBondContact O-N 3.09Å; L1119-W1122 PolarHBondContact O-N 3.01Å; L1119-L1123 WeakPolarHBondContact O-CG 3.37Å; L1119-L1123 PolarHBondContact O-N 3.49Å; L1119-F1152 HydrophobicContact CD2-CE2 3.88Å; L1119-F1152 HydrophobicContact CD2-CZ 3.89Å; L1119-V1178 HydrophobicContact CD1-CG2 4.06Å; L1119-F1215 HydrophobicContact CD2-CD1 3.8Å; L1119-F1215 HydrophobicContact CD2-CE1 3.93Å; L1119-V1218 HydrophobicContact CB-CG2 4.31Å; L1119-V1218 HydrophobicContact CD2-CG2 4.04Å; L1119-V1218 HydrophobicContact CG-CG2 3.92Å |
| 1120 | Y | 92 | Very high | 78.6 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 174.6 | 171.3 | -107.8 | 0 | 0 | 0 | 112.5 | S1117 Q1118 W1122 L1123 M1124 Y1145 I1149 R1221 | S1117-Y1120 WeakPolarHBondContact O-CB 3Å; S1117-Y1120 PolarHBondContact O-N 2.69Å; Q1118-Y1120 VanDerWaalsContact C-N 3.3Å; Q1118-Y1120 PolarHBondContact O-N 3.01Å; Y1120-W1122 VanDerWaalsContact C-N 3.32Å; Y1120-W1122 PolarHBondContact O-N 3.02Å; Y1120-L1123 PolarHBondContact O-N 3.34Å; Y1120-M1124 HydrophobicContact CD2-CE 4.42Å; Y1120-M1124 HydrophobicContact CE1-CE 3.76Å; Y1120-M1124 HydrophobicContact CE2-CE 3.52Å; Y1120-M1124 WeakPolarHBondContact O-CB 3.31Å; Y1120-M1124 PolarHBondContact O-N 3.41Å; Y1120-M1124 WeakPolarHBondContact OH-CE 3.46Å; Y1120-Y1145 HydrophobicContact CE2-CE2 4.06Å; Y1120-Y1145 WeakPolarHBondContact CE2-OH 3.29Å; Y1120-Y1145 PolarHBondContact OH-OH 3.28Å; Y1120-I1149 HydrophobicContact CD2-CD1 4.25Å; Y1120-I1149 HydrophobicContact CE2-CD1 4.3Å; Y1120-R1221 PolarHBondContact OH-O 3.46Å; Y1120-R1221 VanDerWaalsContact OH-O 3.1Å |
| 1121 | K | 91 | Very high | 80.2 | Confident | 88 Ų | 88 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 177 | -72.5 | 164.5 | 179.9 | 163.9 | 0 | 112.1 | D1115 S1117 Q1118 M1124 Q1125 | D1115-K1121 IonicContact OD2-NZ 2.63Å; D1115-K1121 PolarHBondContact OD2-NZ 3.44Å; S1117-K1121 VanDerWaalsContact O-CG 3.3Å; S1117-K1121 WeakPolarHBondContact O-CG 3.49Å; S1117-K1121 PolarHBondContact O-N 2.76Å; S1117-K1121 WeakPolarHBondContact OG-CE 3.13Å; S1117-K1121 PolarHBondContact OG-NZ 2.97Å; Q1118-K1121 PolarHBondContact O-N 3.27Å; K1121-M1124 WeakPolarHBondContact O-CB 3.46Å; K1121-M1124 PolarHBondContact O-N 3.36Å; K1121-Q1125 PolarHBondContact O-N 2.87Å |
| 1122 | W | 92.1 | Very high | 81.8 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 177.5 | -175.7 | 91.2 | 0 | 0 | 0 | 111.5 | I1103 Q1118 L1119 Y1120 M1124 Q1125 H1126 V1178 | I1103-W1122 HydrophobicContact CD1-CD2 3.98Å; I1103-W1122 HydrophobicContact CD1-CE3 4.07Å; I1103-W1122 HydrophobicContact CD1-CG 4.46Å; I1103-W1122 HydrophobicContact CD1-CH2 4.47Å; I1103-W1122 HydrophobicContact CD1-CZ2 4.36Å; I1103-W1122 HydrophobicContact CD1-CZ3 4.33Å; I1103-W1122 HydrophobicContact CG1-CD2 4.3Å; I1103-W1122 HydrophobicContact CG1-CG 4.4Å; I1103-W1122 HydrophobicContact CG2-CB 3.65Å; I1103-W1122 HydrophobicContact CG2-CD2 4.35Å; I1103-W1122 HydrophobicContact CG2-CG 3.73Å; Q1118-W1122 WeakPolarHBondContact O-CB 3.47Å; Q1118-W1122 PolarHBondContact O-N 3.33Å; L1119-W1122 PolarHBondContact O-N 3.01Å; Y1120-W1122 VanDerWaalsContact C-N 3.32Å; Y1120-W1122 PolarHBondContact O-N 3.02Å; W1122-M1124 VanDerWaalsContact C-N 3.35Å; W1122-M1124 PolarHBondContact O-N 3.17Å; W1122-Q1125 WeakPolarHBondContact O-CB 3.5Å; W1122-Q1125 PolarHBondContact O-N 2.93Å; W1122-H1126 AromaticContact CD2-CD2 3.59Å; W1122-H1126 AromaticContact CD2-NE2 3.81Å; W1122-H1126 AromaticContact CE2-CD2 3.48Å; W1122-H1126 VanDerWaalsContact CE2-CD2 3.48Å; W1122-H1126 AromaticContact CE2-NE2 3.17Å; W1122-H1126 AromaticContact CE3-CD2 3.73Å; W1122-H1126 AromaticContact CH2-CD2 3.67Å; W1122-H1126 AromaticContact CH2-NE2 3.57Å; W1122-H1126 AromaticContact CZ2-CD2 3.54Å; W1122-H1126 AromaticContact CZ2-NE2 3.05Å; W1122-H1126 WeakPolarHBondContact CZ2-NE2 3.4Å; W1122-H1126 AromaticContact CZ3-CD2 3.75Å; W1122-H1126 AromaticContact NE1-NE2 3.59Å; W1122-H1126 PolarHBondContact O-CD2 2.91Å; W1122-H1126 PolarHBondContact O-N 3.45Å; W1122-V1178 HydrophobicContact CZ3-CB 4.46Å; W1122-V1178 HydrophobicContact CZ3-CG1 4.03Å |
| 1123 | L | 92.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174 | -70.1 | 170.9 | 0 | 0 | 0 | 111.8 | L1119 Y1120 Q1125 H1126 A1127 M1148 F1152 V1178 V1218 | L1119-L1123 WeakPolarHBondContact O-CG 3.37Å; L1119-L1123 PolarHBondContact O-N 3.49Å; Y1120-L1123 PolarHBondContact O-N 3.34Å; L1123-Q1125 PolarHBondContact O-N 3.31Å; L1123-H1126 PolarHBondContact O-N 2.71Å; L1123-A1127 WeakPolarHBondContact O-CB 3.18Å; L1123-A1127 PolarHBondContact O-N 2.96Å; L1123-M1148 HydrophobicContact CB-CG 4.46Å; L1123-M1148 HydrophobicContact CB-SD 4.21Å; L1123-M1148 HydrophobicContact CD2-CG 3.91Å; L1123-M1148 HydrophobicContact CD2-SD 3.95Å; L1123-F1152 HydrophobicContact CD1-CB 4.44Å; L1123-F1152 HydrophobicContact CD1-CD2 3.86Å; L1123-F1152 HydrophobicContact CD1-CE2 4.4Å; L1123-F1152 HydrophobicContact CD1-CG 4.19Å; L1123-V1178 HydrophobicContact CD2-CG1 3.98Å; L1123-V1218 HydrophobicContact CD1-CG1 3.56Å; L1123-V1218 HydrophobicContact CD1-CG2 4.12Å |
| 1124 | M | 90 | Very high | 84.2 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 15% | 0.153 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.2 | -38.8 | 176.1 | -168.3 | 71.4 | 59.8 | 0 | 0 | 112.5 | Y1120 K1121 W1122 K1128 Y1145 | Y1120-M1124 HydrophobicContact CD2-CE 4.42Å; Y1120-M1124 HydrophobicContact CE1-CE 3.76Å; Y1120-M1124 HydrophobicContact CE2-CE 3.52Å; Y1120-M1124 WeakPolarHBondContact O-CB 3.31Å; Y1120-M1124 PolarHBondContact O-N 3.41Å; Y1120-M1124 WeakPolarHBondContact OH-CE 3.46Å; K1121-M1124 WeakPolarHBondContact O-CB 3.46Å; K1121-M1124 PolarHBondContact O-N 3.36Å; W1122-M1124 VanDerWaalsContact C-N 3.35Å; W1122-M1124 PolarHBondContact O-N 3.17Å; M1124-K1128 VanDerWaalsContact O-CG 3.32Å; M1124-K1128 WeakPolarHBondContact O-CG 3.21Å; M1124-K1128 PolarHBondContact O-N 2.97Å; M1124-Y1145 HydrophobicContact CE-CD2 3.7Å; M1124-Y1145 HydrophobicContact CE-CE2 3.09Å; M1124-Y1145 HydrophobicContact SD-CD2 3.47Å; M1124-Y1145 WeakPolarHBondContact SD-CD2 3.48Å; M1124-Y1145 HydrophobicContact SD-CE2 3.58Å; M1124-Y1145 VanDerWaalsContact SD-CE2 3.58Å; M1124-Y1145 HydrophobicContact SD-CG 4.25Å |
| 1125 | Q | 90.1 | Very high | 84.8 | Confident | 131 Ų | 131 | 64.4 Ų | 64.4 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.2 | -45.5 | 179.3 | -177.2 | 173.1 | -8.5 | 0 | 0 | 111.4 | K1121 W1122 L1123 K1128 Q1129 | K1121-Q1125 PolarHBondContact O-N 2.87Å; W1122-Q1125 WeakPolarHBondContact O-CB 3.5Å; W1122-Q1125 PolarHBondContact O-N 2.93Å; L1123-Q1125 PolarHBondContact O-N 3.31Å; Q1125-K1128 PolarHBondContact O-N 3.44Å; Q1125-Q1129 PolarHBondContact O-N 3.45Å |
| 1126 | H | 90.4 | Very high | 84.8 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 175.4 | -79 | -69 | 0 | 0 | 0 | 112.4 | W1122 L1123 K1128 Q1129 K1130 M1148 | W1122-H1126 AromaticContact CD2-CD2 3.59Å; W1122-H1126 AromaticContact CD2-NE2 3.81Å; W1122-H1126 AromaticContact CE2-CD2 3.48Å; W1122-H1126 VanDerWaalsContact CE2-CD2 3.48Å; W1122-H1126 AromaticContact CE2-NE2 3.17Å; W1122-H1126 AromaticContact CE3-CD2 3.73Å; W1122-H1126 AromaticContact CH2-CD2 3.67Å; W1122-H1126 AromaticContact CH2-NE2 3.57Å; W1122-H1126 AromaticContact CZ2-CD2 3.54Å; W1122-H1126 AromaticContact CZ2-NE2 3.05Å; W1122-H1126 WeakPolarHBondContact CZ2-NE2 3.4Å; W1122-H1126 AromaticContact CZ3-CD2 3.75Å; W1122-H1126 AromaticContact NE1-NE2 3.59Å; W1122-H1126 PolarHBondContact O-CD2 2.91Å; W1122-H1126 PolarHBondContact O-N 3.45Å; L1123-H1126 PolarHBondContact O-N 2.71Å; H1126-K1128 VanDerWaalsContact C-N 3.31Å; H1126-K1128 PolarHBondContact O-N 2.84Å; H1126-Q1129 PolarHBondContact O-N 3.22Å; H1126-Q1129 VanDerWaalsContact O-N 3.15Å; H1126-K1130 WeakPolarHBondContact O-CB 3.39Å; H1126-K1130 PolarHBondContact O-N 2.74Å; H1126-M1148 HydrophobicContact CB-CE 4.01Å; H1126-M1148 HydrophobicContact CB-SD 3.91Å |
| 1127 | A | 88.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1123 K1130 A1131 Y1145 M1148 | L1123-A1127 WeakPolarHBondContact O-CB 3.18Å; L1123-A1127 PolarHBondContact O-N 2.96Å; A1127-K1130 PolarHBondContact O-N 3.48Å; A1127-A1131 VanDerWaalsContact O-CB 3.31Å; A1127-A1131 WeakPolarHBondContact O-CB 3.46Å; A1127-A1131 PolarHBondContact O-N 3.37Å; A1127-Y1145 HydrophobicContact CB-CD2 4.45Å; A1127-M1148 HydrophobicContact CB-SD 4.1Å |
| 1128 | K | 87.6 | Confident | 83.8 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 175.2 | -75.2 | 173.1 | -178.6 | 178.1 | 0 | 112.3 | M1124 Q1125 H1126 R1132 P1138 | M1124-K1128 VanDerWaalsContact O-CG 3.32Å; M1124-K1128 WeakPolarHBondContact O-CG 3.21Å; M1124-K1128 PolarHBondContact O-N 2.97Å; Q1125-K1128 PolarHBondContact O-N 3.44Å; H1126-K1128 VanDerWaalsContact C-N 3.31Å; H1126-K1128 PolarHBondContact O-N 2.84Å; K1128-R1132 WeakPolarHBondContact O-CG 3.33Å; K1128-R1132 PolarHBondContact O-N 2.94Å; K1128-R1132 VanDerWaalsContact O-N 3.09Å; K1128-P1138 HydrophobicContact CG-CB 4.13Å |
| 1129 | Q | 86.4 | Confident | 82.9 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 177.4 | -174 | 172.4 | -1.4 | 0 | 0 | 111.4 | Q1125 H1126 R1132 Q1133 | Q1125-Q1129 PolarHBondContact O-N 3.45Å; H1126-Q1129 PolarHBondContact O-N 3.22Å; H1126-Q1129 VanDerWaalsContact O-N 3.15Å; Q1129-R1132 WeakPolarHBondContact O-CB 3.14Å; Q1129-R1132 PolarHBondContact O-N 3.2Å; Q1129-Q1133 PolarHBondContact O-N 3.45Å; Q1129-Q1133 VanDerWaalsContact O-N 3.08Å |
| 1130 | K | 81.9 | Confident | 81.6 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 178 | -166.1 | 161.1 | -174.9 | 171.7 | 0 | 112.4 | H1126 A1127 R1132 Q1133 L1134 | H1126-K1130 WeakPolarHBondContact O-CB 3.39Å; H1126-K1130 PolarHBondContact O-N 2.74Å; A1127-K1130 PolarHBondContact O-N 3.48Å; K1130-R1132 VanDerWaalsContact C-N 3.32Å; K1130-R1132 PolarHBondContact O-N 2.87Å; K1130-Q1133 PolarHBondContact O-N 3.11Å; K1130-L1134 HydrophobicContact CG-CD1 4.2Å; K1130-L1134 WeakPolarHBondContact O-CG 3.29Å; K1130-L1134 PolarHBondContact O-N 3Å; K1130-L1134 VanDerWaalsContact O-N 3.1Å |
| 1131 | A | 80.9 | Confident | 80 | Confident | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.008 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1127 L1134 N1135 H1136 P1138 A1144 | A1127-A1131 VanDerWaalsContact O-CB 3.31Å; A1127-A1131 WeakPolarHBondContact O-CB 3.46Å; A1127-A1131 PolarHBondContact O-N 3.37Å; A1131-L1134 CarbonylContact O-C 2.97Å; A1131-L1134 PolarHBondContact O-N 3.45Å; A1131-N1135 PolarHBondContact O-N 2.91Å; A1131-N1135 VanDerWaalsContact O-N 3.14Å; A1131-H1136 PolarHBondContact O-N 3.03Å; A1131-P1138 HydrophobicContact CB-CB 3.7Å; A1131-A1144 HydrophobicContact CB-CB 4.16Å |
| 1132 | R | 82.7 | Confident | 78.8 | Confident | 199 Ų | 199 | 84.9 Ų | 84.9 | 75% | 0.751 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 174 | -73.5 | 172.9 | -178.5 | 172.6 | -0.7 | 112.3 | K1128 Q1129 K1130 L1134 N1135 | K1128-R1132 WeakPolarHBondContact O-CG 3.33Å; K1128-R1132 PolarHBondContact O-N 2.94Å; K1128-R1132 VanDerWaalsContact O-N 3.09Å; Q1129-R1132 WeakPolarHBondContact O-CB 3.14Å; Q1129-R1132 PolarHBondContact O-N 3.2Å; K1130-R1132 VanDerWaalsContact C-N 3.32Å; K1130-R1132 PolarHBondContact O-N 2.87Å; R1132-L1134 PolarHBondContact O-N 3.4Å; R1132-N1135 PolarHBondContact O-N 2.92Å |
| 1133 | Q | 75.9 | Confident | 78.3 | Confident | 150 Ų | 150 | 84.2 Ų | 84.2 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.9 | -31.5 | 176.6 | -75.2 | 177.3 | -10.6 | 0 | 0 | 112.7 | Q1129 K1130 | Q1129-Q1133 PolarHBondContact O-N 3.45Å; Q1129-Q1133 VanDerWaalsContact O-N 3.08Å; K1130-Q1133 PolarHBondContact O-N 3.11Å |
| 1134 | L | 72.3 | Confident | 77.8 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 45% | 0.45 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.1 | -179.2 | -67 | 168.4 | 0 | 0 | 0 | 114 | K1130 A1131 R1132 H1136 | K1130-L1134 HydrophobicContact CG-CD1 4.2Å; K1130-L1134 WeakPolarHBondContact O-CG 3.29Å; K1130-L1134 PolarHBondContact O-N 3Å; K1130-L1134 VanDerWaalsContact O-N 3.1Å; A1131-L1134 CarbonylContact O-C 2.97Å; A1131-L1134 PolarHBondContact O-N 3.45Å; R1132-L1134 PolarHBondContact O-N 3.4Å; L1134-H1136 HydrophobicContact CB-CB 4.5Å; L1134-H1136 PolarHBondContact O-CD2 2.75Å; L1134-H1136 PolarHBondContact O-N 2.81Å; L1134-H1136 VanDerWaalsContact O-N 3.17Å |
| 1135 | N | 73.8 | Confident | 77.7 | Confident | 155 Ų | 155 | 83.8 Ų | 83.8 | 83% | 0.829 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 36.5 | -172.4 | -77.9 | -18.2 | 0 | 0 | 0 | 113.9 | A1131 R1132 | A1131-N1135 PolarHBondContact O-N 2.91Å; A1131-N1135 VanDerWaalsContact O-N 3.14Å; R1132-N1135 PolarHBondContact O-N 2.92Å |
| 1136 | H | 71.9 | Confident | 77.6 | Confident | 128 Ų | 128 | 79.6 Ų | 79.6 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -116.2 | 157.2 | 179.4 | -73.9 | -38.2 | 0 | 0 | 0 | 111.9 | A1131 L1134 | A1131-H1136 PolarHBondContact O-N 3.03Å; L1134-H1136 HydrophobicContact CB-CB 4.5Å; L1134-H1136 PolarHBondContact O-CD2 2.75Å; L1134-H1136 PolarHBondContact O-N 2.81Å; L1134-H1136 VanDerWaalsContact O-N 3.17Å |
| 1137 | S | 71.6 | Confident | 77.5 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 54% | 0.538 | 41% | 0.41 | S | S | . | . | trans | -62 | 133.3 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | L1139 | S1137-L1139 PolarHBondContact O-N 3.23Å; S1137-L1139 PolarHBondContact OG-N 3.49Å; S1137-L1139 PolarHBondContact OG-O 2.84Å | ||
| 1138 | P | 69.4 | Low | 77.6 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 25% | 0.247 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -69.8 | -16.9 | 173.3 | 28.3 | -33 | 0 | 0 | 0 | 112.5 | K1128 A1131 S1143 Y1145 | K1128-P1138 HydrophobicContact CG-CB 4.13Å; A1131-P1138 HydrophobicContact CB-CB 3.7Å; P1138-S1143 WeakPolarHBondContact O-CB 3.47Å; P1138-S1143 PolarHBondContact O-OG 3.36Å; P1138-Y1145 WeakPolarHBondContact O-CB 3.44Å |
| 1139 | L | 67.6 | Low | 77.9 | Confident | 114 Ų | 114 | 76.9 Ų | 76.9 | 60% | 0.597 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -121.4 | 138 | -174 | -73.2 | 140.5 | 0 | 0 | 0 | 110.6 | S1137 | S1137-L1139 PolarHBondContact O-N 3.23Å; S1137-L1139 PolarHBondContact OG-N 3.49Å; S1137-L1139 PolarHBondContact OG-O 2.84Å |
| 1140 | G | 65.4 | Low | 78.2 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 45% | 0.454 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 137.2 | 163.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1142 S1143 | G1140-N1142 PolarHBondContact O-N 3.49Å; G1140-S1143 WeakPolarHBondContact O-CB 3.41Å; G1140-S1143 PolarHBondContact O-N 3.2Å; G1140-S1143 PolarHBondContact O-OG 2.97Å |
| 1141 | D | 57 | Low | 78.8 | Confident | 162 Ų | 162 | 75.8 Ų | 75.8 | 87% | 0.866 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 130.5 | 171.6 | -81.1 | -26 | 0 | 0 | 0 | 109.7 | S1143 | D1141-S1143 VanDerWaalsContact C-N 3.34Š|
| 1142 | N | 66.5 | Low | 79.5 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 69% | 0.69 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 24.5 | -167.8 | -68.5 | -31.6 | 0 | 0 | 0 | 115.9 | G1140 R1147 | G1140-N1142 PolarHBondContact O-N 3.49Å; N1142-R1147 PolarHBondContact O-NH1 2.84Å |
| 1143 | S | 81.5 | Confident | 80.1 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | trans | -70.9 | 167.2 | 169.6 | 80.5 | 0 | 0 | 0 | 0 | 112.6 | P1138 G1140 D1141 Y1145 E1146 R1147 | P1138-S1143 WeakPolarHBondContact O-CB 3.47Å; P1138-S1143 PolarHBondContact O-OG 3.36Å; G1140-S1143 WeakPolarHBondContact O-CB 3.41Å; G1140-S1143 PolarHBondContact O-N 3.2Å; G1140-S1143 PolarHBondContact O-OG 2.97Å; D1141-S1143 VanDerWaalsContact C-N 3.34Å; S1143-Y1145 PolarHBondContact O-N 3.15Å; S1143-Y1145 WeakPolarHBondContact OG-CB 3.18Å; S1143-Y1145 PolarHBondContact OG-N 3.48Å; S1143-E1146 PolarHBondContact O-N 3.47Å; S1143-E1146 PolarHBondContact OG-N 3.39Å; S1143-R1147 PolarHBondContact O-N 3.25Å; S1143-R1147 VanDerWaalsContact O-N 3.08Å | ||
| 1144 | A | 81.7 | Confident | 81.1 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -31.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1131 M1148 | A1131-A1144 HydrophobicContact CB-CB 4.16Å; A1144-M1148 WeakPolarHBondContact O-CB 3.33Å; A1144-M1148 PolarHBondContact O-N 3Å; A1144-M1148 VanDerWaalsContact O-N 3.13Å |
| 1145 | Y | 88.7 | Confident | 82.3 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 6% | 0.059 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.8 | -53.4 | 175.7 | 166.3 | -104 | 0 | 0 | 0 | 112.2 | Y1120 M1124 A1127 P1138 S1143 R1147 M1148 I1149 R1221 | Y1120-Y1145 HydrophobicContact CE2-CE2 4.06Å; Y1120-Y1145 WeakPolarHBondContact CE2-OH 3.29Å; Y1120-Y1145 PolarHBondContact OH-OH 3.28Å; M1124-Y1145 HydrophobicContact CE-CD2 3.7Å; M1124-Y1145 HydrophobicContact CE-CE2 3.09Å; M1124-Y1145 HydrophobicContact SD-CD2 3.47Å; M1124-Y1145 WeakPolarHBondContact SD-CD2 3.48Å; M1124-Y1145 HydrophobicContact SD-CE2 3.58Å; M1124-Y1145 VanDerWaalsContact SD-CE2 3.58Å; M1124-Y1145 HydrophobicContact SD-CG 4.25Å; A1127-Y1145 HydrophobicContact CB-CD2 4.45Å; P1138-Y1145 WeakPolarHBondContact O-CB 3.44Å; S1143-Y1145 PolarHBondContact O-N 3.15Å; S1143-Y1145 WeakPolarHBondContact OG-CB 3.18Å; S1143-Y1145 PolarHBondContact OG-N 3.48Å; Y1145-R1147 VanDerWaalsContact C-N 3.26Å; Y1145-R1147 PolarHBondContact O-N 3.31Å; Y1145-M1148 PolarHBondContact O-N 3.46Å; Y1145-I1149 HydrophobicContact CD2-CD1 4.48Å; Y1145-I1149 HydrophobicContact CD2-CG1 3.92Å; Y1145-I1149 HydrophobicContact CE1-CG1 4.29Å; Y1145-I1149 HydrophobicContact CE2-CD1 3.76Å; Y1145-I1149 HydrophobicContact CE2-CG1 3.36Å; Y1145-I1149 PolarHBondContact O-N 3.35Å; Y1145-R1221 WeakPolarHBondContact OH-CB 3.34Å |
| 1146 | E | 88.2 | Confident | 83.4 | Confident | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | -179.2 | -77.7 | -59.5 | 143.5 | 0 | 0 | 111.5 | S1143 M1148 R1150 R1221 | S1143-E1146 PolarHBondContact O-N 3.47Å; S1143-E1146 PolarHBondContact OG-N 3.39Å; E1146-M1148 PolarHBondContact O-N 2.94Å; E1146-R1150 WeakPolarHBondContact O-CB 3.17Å; E1146-R1150 PolarHBondContact O-N 3.24Å; E1146-R1221 IonicContact OE1-NE 3.8Å; E1146-R1221 PolarHBondContact OE1-NE 3.49Å; E1146-R1221 VanDerWaalsContact OE1-NE 3.16Å; E1146-R1221 IonicContact OE2-CZ 3.06Å; E1146-R1221 IonicContact OE2-NE 3.38Å; E1146-R1221 PolarHBondContact OE2-NE 3.36Å; E1146-R1221 VanDerWaalsContact OE2-NE 3.17Å; E1146-R1221 IonicContact OE2-NH2 3.6Å; E1146-R1221 PolarHBondContact OE2-NH2 2.8Å |
| 1147 | R | 87.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 171.3 | -78.2 | -168.2 | -70.2 | -88.4 | -4.5 | 112.2 | N1142 S1143 Y1145 R1150 T1151 | N1142-R1147 PolarHBondContact O-NH1 2.84Å; S1143-R1147 PolarHBondContact O-N 3.25Å; S1143-R1147 VanDerWaalsContact O-N 3.08Å; Y1145-R1147 VanDerWaalsContact C-N 3.26Å; Y1145-R1147 PolarHBondContact O-N 3.31Å; R1147-R1150 PolarHBondContact O-N 2.89Å; R1147-T1151 PolarHBondContact O-N 3Å; R1147-T1151 PolarHBondContact O-OG1 3.29Å |
| 1148 | M | 91.3 | Very high | 85.7 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | -177.1 | -170.1 | 164.8 | -70.2 | 0 | 0 | 112.4 | L1123 H1126 A1127 A1144 Y1145 E1146 R1150 T1151 F1152 S1180 | L1123-M1148 HydrophobicContact CB-CG 4.46Å; L1123-M1148 HydrophobicContact CB-SD 4.21Å; L1123-M1148 HydrophobicContact CD2-CG 3.91Å; L1123-M1148 HydrophobicContact CD2-SD 3.95Å; H1126-M1148 HydrophobicContact CB-CE 4.01Å; H1126-M1148 HydrophobicContact CB-SD 3.91Å; A1127-M1148 HydrophobicContact CB-SD 4.1Å; A1144-M1148 WeakPolarHBondContact O-CB 3.33Å; A1144-M1148 PolarHBondContact O-N 3Å; A1144-M1148 VanDerWaalsContact O-N 3.13Å; Y1145-M1148 PolarHBondContact O-N 3.46Å; E1146-M1148 PolarHBondContact O-N 2.94Å; M1148-R1150 VanDerWaalsContact C-N 3.34Å; M1148-T1151 PolarHBondContact O-N 2.77Å; M1148-F1152 PolarHBondContact O-N 2.85Å; M1148-S1180 WeakPolarHBondContact CE-O 3.08Å |
| 1149 | I | 92.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 174.7 | -62.2 | -60.9 | 0 | 0 | 0 | 111 | Y1120 Y1145 F1152 T1153 V1218 R1221 | Y1120-I1149 HydrophobicContact CD2-CD1 4.25Å; Y1120-I1149 HydrophobicContact CE2-CD1 4.3Å; Y1145-I1149 HydrophobicContact CD2-CD1 4.48Å; Y1145-I1149 HydrophobicContact CD2-CG1 3.92Å; Y1145-I1149 HydrophobicContact CE1-CG1 4.29Å; Y1145-I1149 HydrophobicContact CE2-CD1 3.76Å; Y1145-I1149 HydrophobicContact CE2-CG1 3.36Å; Y1145-I1149 PolarHBondContact O-N 3.35Å; I1149-F1152 PolarHBondContact O-N 3.4Å; I1149-T1153 WeakPolarHBondContact O-CB 3.43Å; I1149-T1153 PolarHBondContact O-N 3.17Å; I1149-T1153 PolarHBondContact O-OG1 2.82Å; I1149-V1218 HydrophobicContact CD1-CG1 3.71Å; I1149-R1221 HydrophobicContact CG2-CG 4.23Å |
| 1150 | R | 92.8 | Very high | 88.1 | Confident | 136 Ų | 136 | 33.3 Ų | 33.3 | 51% | 0.513 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62 | -48.9 | 174.8 | 179.3 | 178.6 | 173.9 | 156.9 | 3 | 111.5 | E1146 R1147 M1148 F1152 T1153 M1154 | E1146-R1150 WeakPolarHBondContact O-CB 3.17Å; E1146-R1150 PolarHBondContact O-N 3.24Å; R1147-R1150 PolarHBondContact O-N 2.89Å; M1148-R1150 VanDerWaalsContact C-N 3.34Å; R1150-F1152 VanDerWaalsContact C-N 3.28Å; R1150-F1152 PolarHBondContact O-N 2.77Å; R1150-T1153 PolarHBondContact O-N 2.87Å; R1150-T1153 VanDerWaalsContact O-N 3.1Å; R1150-M1154 HydrophobicContact CG-CG 4.23Å; R1150-M1154 VanDerWaalsContact O-CG 3.32Å; R1150-M1154 WeakPolarHBondContact O-CG 3.3Å; R1150-M1154 PolarHBondContact O-N 2.89Å |
| 1151 | T | 94.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.5 | -46 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 111 | C1075 R1147 M1148 T1153 M1154 S1155 R1183 | C1075-T1151 HydrophobicContact CB-CG2 4.32Å; R1147-T1151 PolarHBondContact O-N 3Å; R1147-T1151 PolarHBondContact O-OG1 3.29Å; M1148-T1151 PolarHBondContact O-N 2.77Å; T1151-T1153 PolarHBondContact O-N 3.35Å; T1151-M1154 PolarHBondContact O-N 3.06Å; T1151-S1155 PolarHBondContact O-N 2.7Å; T1151-S1155 PolarHBondContact O-OG 3.09Å; T1151-R1183 HydrophobicContact CG2-CB 4.23Å; T1151-R1183 HydrophobicContact CG2-CG 3.34Å |
| 1152 | F | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | 175.4 | -175.9 | -85 | 0 | 0 | 0 | 112.2 | L1119 L1123 M1148 I1149 R1150 C1156 V1178 G1182 L1184 F1215 V1218 I1219 | L1119-F1152 HydrophobicContact CD2-CE2 3.88Å; L1119-F1152 HydrophobicContact CD2-CZ 3.89Å; L1123-F1152 HydrophobicContact CD1-CB 4.44Å; L1123-F1152 HydrophobicContact CD1-CD2 3.86Å; L1123-F1152 HydrophobicContact CD1-CE2 4.4Å; L1123-F1152 HydrophobicContact CD1-CG 4.19Å; M1148-F1152 PolarHBondContact O-N 2.85Å; I1149-F1152 PolarHBondContact O-N 3.4Å; R1150-F1152 VanDerWaalsContact C-N 3.28Å; R1150-F1152 PolarHBondContact O-N 2.77Å; F1152-C1156 HydrophobicContact CD1-CB 4.4Å; F1152-C1156 HydrophobicContact CE1-CB 4.21Å; F1152-C1156 WeakPolarHBondContact O-CB 3.42Å; F1152-C1156 PolarHBondContact O-N 2.8Å; F1152-V1178 HydrophobicContact CD2-CG1 4.35Å; F1152-V1178 HydrophobicContact CE2-CG2 4.09Å; F1152-G1182 WeakPolarHBondContact CA-O 3.41Å; F1152-G1182 VanDerWaalsContact CB-O 3.26Å; F1152-G1182 WeakPolarHBondContact CB-O 3.48Å; F1152-G1182 PolarHBondContact N-O 3.38Å; F1152-L1184 HydrophobicContact CD2-CB 4.09Å; F1152-L1184 HydrophobicContact CE2-CB 3.93Å; F1152-L1184 HydrophobicContact CE2-CD1 3.66Å; F1152-L1184 HydrophobicContact CE2-CG 4.43Å; F1152-L1184 HydrophobicContact CZ-CD1 3.66Å; F1152-F1215 HydrophobicContact CE1-CB 4.33Å; F1152-F1215 HydrophobicContact CZ-CB 4.31Å; F1152-F1215 AromaticContact CZ-CD1 3.8Å; F1152-F1215 HydrophobicContact CZ-CD1 3.8Å; F1152-F1215 HydrophobicContact CZ-CE1 4.45Å; F1152-F1215 HydrophobicContact CZ-CG 4.25Å; F1152-V1218 HydrophobicContact CB-CG1 4.2Å; F1152-V1218 HydrophobicContact CD1-CB 3.86Å; F1152-V1218 HydrophobicContact CD1-CG1 3.33Å; F1152-V1218 HydrophobicContact CD2-CG1 4.25Å; F1152-V1218 HydrophobicContact CE1-CB 3.66Å; F1152-V1218 HydrophobicContact CE1-CG1 3.68Å; F1152-V1218 HydrophobicContact CE1-CG2 4.22Å; F1152-V1218 HydrophobicContact CG-CG1 3.65Å; F1152-V1218 HydrophobicContact CZ-CB 4.17Å; F1152-V1218 HydrophobicContact CZ-CG1 4.27Å; F1152-V1218 HydrophobicContact CZ-CG2 4.21Å; F1152-I1219 HydrophobicContact CD1-CG1 4.49Å; F1152-I1219 HydrophobicContact CE1-CG1 4.43Å |
| 1153 | T | 95.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 13% | 0.129 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | -178.7 | -56 | 0 | 0 | 0 | 0 | 111.2 | I1149 R1150 T1151 A1157 I1219 F1255 | I1149-T1153 WeakPolarHBondContact O-CB 3.43Å; I1149-T1153 PolarHBondContact O-N 3.17Å; I1149-T1153 PolarHBondContact O-OG1 2.82Å; R1150-T1153 PolarHBondContact O-N 2.87Å; R1150-T1153 VanDerWaalsContact O-N 3.1Å; T1151-T1153 PolarHBondContact O-N 3.35Å; T1153-A1157 WeakPolarHBondContact O-CB 3.13Å; T1153-A1157 PolarHBondContact O-N 2.81Å; T1153-I1219 HydrophobicContact CG2-CG1 4.39Å; T1153-I1219 HydrophobicContact CG2-CG2 4.36Å; T1153-F1255 HydrophobicContact CG2-CB 4.36Å; T1153-F1255 HydrophobicContact CG2-CD2 3.76Å |
| 1154 | M | 96.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 17.3 Ų | 17.3 | 13% | 0.128 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -50.5 | 177.8 | -65.8 | -58.7 | -67.2 | 0 | 0 | 111.2 | M1072 D1073 M1074 C1075 R1150 T1151 C1156 A1157 G1158 L1258 | M1072-M1154 HydrophobicContact CG-CE 4.2Å; D1073-M1154 WeakPolarHBondContact O-CE 3.44Å; M1074-M1154 WeakPolarHBondContact CE-O 3.38Å; M1074-M1154 CarbonylContact O-C 3.6Å; M1074-M1154 HydrophobicContact SD-CE 3.72Å; C1075-M1154 HydrophobicContact CB-CB 4.31Å; R1150-M1154 HydrophobicContact CG-CG 4.23Å; R1150-M1154 VanDerWaalsContact O-CG 3.32Å; R1150-M1154 WeakPolarHBondContact O-CG 3.3Å; R1150-M1154 PolarHBondContact O-N 2.89Å; T1151-M1154 PolarHBondContact O-N 3.06Å; M1154-C1156 PolarHBondContact O-N 2.87Å; M1154-A1157 PolarHBondContact O-N 2.88Å; M1154-G1158 PolarHBondContact O-N 2.75Å; M1154-L1258 HydrophobicContact CE-CD1 4Å; M1154-L1258 HydrophobicContact CE-CD2 4.29Å; M1154-L1258 HydrophobicContact SD-CD1 4.14Å; M1154-L1258 HydrophobicContact SD-CD2 3.52Å; M1154-L1258 VanDerWaalsContact SD-CD2 3.52Å; M1154-L1258 HydrophobicContact SD-CG 4.49Å |
| 1155 | S | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.3 | -37.4 | -178.3 | 83.6 | 0 | 0 | 0 | 0 | 112 | M1074 C1075 T1151 A1157 G1158 Y1159 L1184 | M1074-S1155 WeakPolarHBondContact O-CA 3.45Å; M1074-S1155 PolarHBondContact O-N 3.32Å; M1074-S1155 VanDerWaalsContact O-N 3.17Å; C1075-S1155 VanDerWaalsContact O-CB 3.31Å; C1075-S1155 WeakPolarHBondContact O-CB 3.37Å; T1151-S1155 PolarHBondContact O-N 2.7Å; T1151-S1155 PolarHBondContact O-OG 3.09Å; S1155-A1157 VanDerWaalsContact C-N 3.35Å; S1155-A1157 PolarHBondContact O-N 2.85Å; S1155-G1158 PolarHBondContact O-N 2.84Å; S1155-Y1159 VanDerWaalsContact O-CD2 3.25Å; S1155-Y1159 WeakPolarHBondContact O-CD2 3.31Å; S1155-Y1159 PolarHBondContact O-N 2.95Å; S1155-L1184 WeakPolarHBondContact CB-O 3.28Å; S1155-L1184 WeakPolarHBondContact OG-CA 3.41Å; S1155-L1184 WeakPolarHBondContact OG-CB 3.41Å; S1155-L1184 PolarHBondContact OG-N 2.92Å; S1155-L1184 PolarHBondContact OG-O 2.94Å |
| 1156 | C | 96 | Very high | 94.1 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.014 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | F1152 M1154 G1158 C1160 F1255 | F1152-C1156 HydrophobicContact CD1-CB 4.4Å; F1152-C1156 HydrophobicContact CE1-CB 4.21Å; F1152-C1156 WeakPolarHBondContact O-CB 3.42Å; F1152-C1156 PolarHBondContact O-N 2.8Å; M1154-C1156 PolarHBondContact O-N 2.87Å; C1156-G1158 PolarHBondContact O-N 3.43Å; C1156-C1160 WeakPolarHBondContact O-CB 3.45Å; C1156-C1160 PolarHBondContact O-N 2.9Å; C1156-C1160 PolarHBondContact O-SG 3.49Å; C1156-F1255 HydrophobicContact CB-CE2 4.23Å |
| 1157 | A | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1074 T1153 M1154 S1155 C1160 V1161 F1255 L1258 C1259 | M1074-A1157 HydrophobicContact CE-CB 3.54Å; T1153-A1157 WeakPolarHBondContact O-CB 3.13Å; T1153-A1157 PolarHBondContact O-N 2.81Å; M1154-A1157 PolarHBondContact O-N 2.88Å; S1155-A1157 VanDerWaalsContact C-N 3.35Å; S1155-A1157 PolarHBondContact O-N 2.85Å; A1157-C1160 PolarHBondContact O-N 2.88Å; A1157-V1161 WeakPolarHBondContact O-CG2 3.46Å; A1157-V1161 PolarHBondContact O-N 3.19Å; A1157-F1255 HydrophobicContact CB-CD2 4.04Å; A1157-F1255 HydrophobicContact CB-CE2 3.63Å; A1157-F1255 HydrophobicContact CB-CZ 4.44Å; A1157-L1258 HydrophobicContact CB-CD2 3.61Å; A1157-L1258 HydrophobicContact CB-CG 3.94Å; A1157-C1259 VanDerWaalsContact CB-SG 3.6Å |
| 1158 | G | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1074 M1154 S1155 C1156 V1161 A1162 | M1074-G1158 VanDerWaalsContact CE-CA 3.5Å; M1154-G1158 PolarHBondContact O-N 2.75Å; S1155-G1158 PolarHBondContact O-N 2.84Å; C1156-G1158 PolarHBondContact O-N 3.43Å; G1158-V1161 PolarHBondContact O-N 3.27Å; G1158-A1162 VanDerWaalsContact O-CB 3.28Å; G1158-A1162 WeakPolarHBondContact O-CB 3.44Å; G1158-A1162 PolarHBondContact O-N 3.41Å |
| 1159 | Y | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.4 | -34.5 | 176.5 | -79.4 | -74.8 | 0 | 0 | 0 | 112.8 | L1060 L1076 T1077 S1155 T1163 L1184 F1185 H1186 | L1060-Y1159 HydrophobicContact CD1-CE1 4Å; L1060-Y1159 HydrophobicContact CD2-CD1 4.49Å; L1060-Y1159 HydrophobicContact CD2-CE1 4.26Å; L1076-Y1159 HydrophobicContact CD2-CD1 4.47Å; L1076-Y1159 HydrophobicContact CD2-CD2 3.58Å; L1076-Y1159 HydrophobicContact CD2-CE1 4.42Å; L1076-Y1159 HydrophobicContact CD2-CE2 3.45Å; L1076-Y1159 VanDerWaalsContact CD2-CE2 3.45Å; L1076-Y1159 HydrophobicContact CD2-CG 4.07Å; T1077-Y1159 PolarHBondContact N-OH 3.11Å; T1077-Y1159 VanDerWaalsContact N-OH 3.14Å; T1077-Y1159 PolarHBondContact O-OH 3.15Å; S1155-Y1159 VanDerWaalsContact O-CD2 3.25Å; S1155-Y1159 WeakPolarHBondContact O-CD2 3.31Å; S1155-Y1159 PolarHBondContact O-N 2.95Å; Y1159-T1163 VanDerWaalsContact O-CB 3.24Å; Y1159-T1163 WeakPolarHBondContact O-CB 3.48Å; Y1159-T1163 WeakPolarHBondContact O-CG2 3.47Å; Y1159-T1163 PolarHBondContact O-N 3.49Å; Y1159-T1163 PolarHBondContact O-OG1 3.28Å; Y1159-L1184 HydrophobicContact CD2-CD2 4.05Å; Y1159-L1184 VanDerWaalsContact CD2-O 3.28Å; Y1159-L1184 WeakPolarHBondContact CD2-O 3.26Å; Y1159-L1184 WeakPolarHBondContact CE2-O 3.17Å; Y1159-L1184 HydrophobicContact CG-CD2 4.39Å; Y1159-F1185 HydrophobicContact CE2-CB 3.69Å; Y1159-F1185 WeakPolarHBondContact OH-CB 3.35Å; Y1159-H1186 HydrophobicContact CD1-CB 3.99Å; Y1159-H1186 AromaticContact CD1-CD2 3.91Å; Y1159-H1186 AromaticContact CD1-CG 3.83Å; Y1159-H1186 HydrophobicContact CE1-CB 4.05Å; Y1159-H1186 AromaticContact CG-CD2 3.89Å |
| 1160 | C | 92.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 12.2 Ų | 12.2 | 5% | 0.047 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 174 | -74.2 | 0 | 0 | 0 | 0 | 111 | C1156 A1157 T1163 F1164 F1209 | C1156-C1160 WeakPolarHBondContact O-CB 3.45Å; C1156-C1160 PolarHBondContact O-N 2.9Å; C1156-C1160 PolarHBondContact O-SG 3.49Å; A1157-C1160 PolarHBondContact O-N 2.88Å; C1160-T1163 PolarHBondContact O-OG1 2.79Å; C1160-F1164 VanDerWaalsContact O-CB 3.29Å; C1160-F1164 WeakPolarHBondContact O-CB 3.38Å; C1160-F1164 PolarHBondContact O-N 2.81Å; C1160-F1164 VanDerWaalsContact O-N 3.15Å; C1160-F1209 HydrophobicContact CB-CD2 4Å; C1160-F1209 HydrophobicContact CB-CE2 4.08Å |
| 1161 | V | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -68.2 | -47.4 | -179.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | W1067 A1157 G1158 F1164 I1165 C1259 A1262 L1266 F1315 | W1067-V1161 HydrophobicContact CZ2-CB 4.42Å; W1067-V1161 HydrophobicContact CZ2-CG1 4.17Å; A1157-V1161 WeakPolarHBondContact O-CG2 3.46Å; A1157-V1161 PolarHBondContact O-N 3.19Å; G1158-V1161 PolarHBondContact O-N 3.27Å; V1161-F1164 PolarHBondContact O-N 3.02Å; V1161-I1165 HydrophobicContact CG1-CD1 3.72Å; V1161-I1165 WeakPolarHBondContact O-CG1 3.25Å; V1161-I1165 PolarHBondContact O-N 3.36Å; V1161-C1259 HydrophobicContact CG2-CB 4.05Å; V1161-C1259 WeakPolarHBondContact CG2-O 3.46Å; V1161-A1262 HydrophobicContact CG2-CB 4.2Å; V1161-L1266 HydrophobicContact CG1-CD1 4.08Å; V1161-F1315 HydrophobicContact CG2-CE2 4.46Å; V1161-F1315 HydrophobicContact CG2-CZ 4.03Å |
| 1162 | A | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1060 M1063 W1067 G1158 F1164 I1165 L1166 | L1060-A1162 HydrophobicContact CD2-CB 3.55Å; M1063-A1162 HydrophobicContact SD-CB 3.65Å; W1067-A1162 HydrophobicContact CH2-CB 4.44Å; G1158-A1162 VanDerWaalsContact O-CB 3.28Å; G1158-A1162 WeakPolarHBondContact O-CB 3.44Å; G1158-A1162 PolarHBondContact O-N 3.41Å; A1162-F1164 VanDerWaalsContact C-N 3.34Å; A1162-F1164 PolarHBondContact O-N 3.26Å; A1162-I1165 PolarHBondContact O-N 3.49Å; A1162-L1166 WeakPolarHBondContact O-CB 3.39Å; A1162-L1166 WeakPolarHBondContact O-CG 3.36Å; A1162-L1166 PolarHBondContact O-N 3.24Å |
| 1163 | T | 93.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 6.7 Ų | 6.7 | 2% | 0.018 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -68.7 | -32.8 | 179.2 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | Y1159 C1160 G1167 I1168 H1186 | Y1159-T1163 VanDerWaalsContact O-CB 3.24Å; Y1159-T1163 WeakPolarHBondContact O-CB 3.48Å; Y1159-T1163 WeakPolarHBondContact O-CG2 3.47Å; Y1159-T1163 PolarHBondContact O-N 3.49Å; Y1159-T1163 PolarHBondContact O-OG1 3.28Å; C1160-T1163 PolarHBondContact O-OG1 2.79Å; T1163-G1167 WeakPolarHBondContact O-CA 3.32Å; T1163-G1167 PolarHBondContact O-N 3.38Å; T1163-I1168 HydrophobicContact CG2-CB 4.07Å; T1163-I1168 HydrophobicContact CG2-CD1 3.95Å; T1163-I1168 HydrophobicContact CG2-CG1 4.5Å; T1163-I1168 HydrophobicContact CG2-CG2 4.49Å; T1163-I1168 PolarHBondContact O-N 3.03Å; T1163-H1186 WeakPolarHBondContact CG2-ND1 3.42Å |
| 1164 | F | 92.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 7.9 Ų | 7.9 | 2% | 0.018 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.6 | -53.9 | 171.4 | 168.3 | -112.3 | 0 | 0 | 0 | 111.4 | C1160 V1161 A1162 G1167 P1208 F1209 Y1263 H1296 T1300 Y1314 F1315 K1318 | C1160-F1164 VanDerWaalsContact O-CB 3.29Å; C1160-F1164 WeakPolarHBondContact O-CB 3.38Å; C1160-F1164 PolarHBondContact O-N 2.81Å; C1160-F1164 VanDerWaalsContact O-N 3.15Å; V1161-F1164 PolarHBondContact O-N 3.02Å; A1162-F1164 VanDerWaalsContact C-N 3.34Å; A1162-F1164 PolarHBondContact O-N 3.26Å; F1164-G1167 PolarHBondContact O-N 3.41Å; F1164-P1208 HydrophobicContact CD2-CB 4.01Å; F1164-P1208 HydrophobicContact CE2-CB 4.12Å; F1164-F1209 HydrophobicContact CB-CB 4.18Å; F1164-F1209 HydrophobicContact CB-CD1 4.09Å; F1164-F1209 HydrophobicContact CB-CG 4.38Å; F1164-F1209 HydrophobicContact CD2-CD1 4.21Å; F1164-F1209 HydrophobicContact CG-CD1 4.39Å; F1164-Y1263 HydrophobicContact CE1-CD2 4.49Å; F1164-Y1263 HydrophobicContact CE1-CE2 4.12Å; F1164-H1296 PolarHBondContact O-NE2 3.27Å; F1164-T1300 HydrophobicContact CD2-CG2 4.34Å; F1164-T1300 HydrophobicContact CE1-CG2 4.19Å; F1164-T1300 HydrophobicContact CE2-CG2 3.84Å; F1164-T1300 HydrophobicContact CZ-CG2 3.76Å; F1164-Y1314 HydrophobicContact CZ-CE1 4.27Å; F1164-F1315 AromaticContact CD1-CD2 3.96Å; F1164-F1315 HydrophobicContact CD1-CD2 3.96Å; F1164-F1315 AromaticContact CD1-CE2 3.94Å; F1164-F1315 HydrophobicContact CD1-CE2 3.94Å; F1164-F1315 AromaticContact CE1-CD2 3.76Å; F1164-F1315 HydrophobicContact CE1-CD2 3.76Å; F1164-F1315 HydrophobicContact CE1-CE2 4.23Å; F1164-K1318 HydrophobicContact CE2-CB 4.05Å; F1164-K1318 HydrophobicContact CE2-CG 4.21Å; F1164-K1318 HydrophobicContact CZ-CB 4.2Å; F1164-K1318 HydrophobicContact CZ-CG 4.24Å |
| 1165 | I | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.2 | -52.3 | -177.6 | -69.9 | 165.7 | 0 | 0 | 0 | 110.6 | M1063 V1161 A1162 G1167 Y1263 L1266 H1296 V1297 T1300 L1301 | M1063-I1165 HydrophobicContact CE-CG2 4.19Å; V1161-I1165 HydrophobicContact CG1-CD1 3.72Å; V1161-I1165 WeakPolarHBondContact O-CG1 3.25Å; V1161-I1165 PolarHBondContact O-N 3.36Å; A1162-I1165 PolarHBondContact O-N 3.49Å; I1165-G1167 PolarHBondContact O-N 2.99Å; I1165-Y1263 HydrophobicContact CD1-CD2 4.24Å; I1165-Y1263 HydrophobicContact CG1-CD2 4.46Å; I1165-L1266 HydrophobicContact CD1-CB 3.98Å; I1165-L1266 HydrophobicContact CD1-CD1 3.5Å; I1165-L1266 HydrophobicContact CD1-CG 4.38Å; I1165-H1296 PolarHBondContact O-CD2 3.21Å; I1165-H1296 PolarHBondContact O-NE2 3.36Å; I1165-V1297 HydrophobicContact CG2-CG1 4.08Å; I1165-T1300 PolarHBondContact O-OG1 2.88Å; I1165-L1301 HydrophobicContact CD1-CD2 3.76Å; I1165-L1301 HydrophobicContact CG1-CD2 3.96Å; I1165-L1301 HydrophobicContact CG2-CD1 4.33Å; I1165-L1301 HydrophobicContact CG2-CD2 3.9Å; I1165-L1301 HydrophobicContact CG2-CG 3.99Å |
| 1166 | L | 94.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 6.8 Ų | 6.8 | 3% | 0.026 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -74.8 | -7.7 | -177.6 | -62.6 | 179.2 | 0 | 0 | 0 | 113.1 | L1059 M1063 A1162 I1168 L1193 | L1059-L1166 HydrophobicContact CB-CD1 4.21Å; L1059-L1166 HydrophobicContact CD1-CD2 3.98Å; M1063-L1166 HydrophobicContact CE-CD1 3.96Å; M1063-L1166 HydrophobicContact CE-CD2 3.73Å; M1063-L1166 HydrophobicContact CE-CG 3.72Å; M1063-L1166 HydrophobicContact SD-CD1 4.34Å; A1162-L1166 WeakPolarHBondContact O-CB 3.39Å; A1162-L1166 WeakPolarHBondContact O-CG 3.36Å; A1162-L1166 PolarHBondContact O-N 3.24Å; L1166-I1168 VanDerWaalsContact C-N 3.31Å; L1166-I1168 HydrophobicContact CB-CD1 4.14Å; L1166-I1168 HydrophobicContact CB-CG1 3.88Å; L1166-I1168 HydrophobicContact CD1-CD1 4.17Å; L1166-I1168 PolarHBondContact O-N 3.44Å; L1166-L1193 WeakPolarHBondContact O-CA 3.37Å; L1166-L1193 PolarHBondContact O-N 3.5Å |
| 1167 | G | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 39.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1163 F1164 I1165 R1169 I1192 L1193 D1194 H1296 | T1163-G1167 WeakPolarHBondContact O-CA 3.32Å; T1163-G1167 PolarHBondContact O-N 3.38Å; F1164-G1167 PolarHBondContact O-N 3.41Å; I1165-G1167 PolarHBondContact O-N 2.99Å; G1167-R1169 PolarHBondContact O-N 2.88Å; G1167-I1192 CarbonylContact O-C 3.54Å; G1167-L1193 PolarHBondContact O-N 2.87Å; G1167-D1194 PolarHBondContact O-N 3.09Å; G1167-D1194 VanDerWaalsContact O-N 3.16Å; G1167-H1296 WeakPolarHBondContact CA-NE2 3.41Å; G1167-H1296 PolarHBondContact N-NE2 2.88Å |
| 1168 | I | 91.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 8.1 Ų | 8.1 | 2% | 0.021 | 4% | 0.041 | C | C | . | . | trans | -72.5 | 117.1 | 179.1 | -59.9 | 171.4 | 0 | 0 | 0 | 108.5 | T1056 T1163 L1166 F1189 H1191 I1192 | T1056-I1168 HydrophobicContact CG2-CD1 3.65Å; T1056-I1168 HydrophobicContact CG2-CG1 4.41Å; T1163-I1168 HydrophobicContact CG2-CB 4.07Å; T1163-I1168 HydrophobicContact CG2-CD1 3.95Å; T1163-I1168 HydrophobicContact CG2-CG1 4.5Å; T1163-I1168 HydrophobicContact CG2-CG2 4.49Å; T1163-I1168 PolarHBondContact O-N 3.03Å; L1166-I1168 VanDerWaalsContact C-N 3.31Å; L1166-I1168 HydrophobicContact CB-CD1 4.14Å; L1166-I1168 HydrophobicContact CB-CG1 3.88Å; L1166-I1168 HydrophobicContact CD1-CD1 4.17Å; L1166-I1168 PolarHBondContact O-N 3.44Å; I1168-F1189 HydrophobicContact CD1-CD1 3.96Å; I1168-F1189 HydrophobicContact CD1-CE1 4.15Å; I1168-F1189 HydrophobicContact CG2-CD1 3.96Å; I1168-H1191 WeakPolarHBondContact CA-O 3.33Å; I1168-I1192 HydrophobicContact CG1-CG2 4.18Å | ||
| 1169 | R | 85.4 | Confident | 91.8 | Very high | 15 Ų | 15 | 8.9 Ų | 8.9 | 6% | 0.057 | 5% | 0.045 | C | C | . | . | trans | -104 | -179.8 | -176.1 | -60.7 | -54.9 | -174.2 | -157.1 | -5.1 | 112.5 | G1167 R1171 H1191 D1194 E1205 V1207 P1208 | G1167-R1169 PolarHBondContact O-N 2.88Å; R1169-R1171 VanDerWaalsContact O-CZ 3.31Å; R1169-R1171 PolarHBondContact O-N 2.77Å; R1169-R1171 PolarHBondContact O-NE 3.03Å; R1169-R1171 PolarHBondContact O-NH2 2.85Å; R1169-H1191 HydrophobicContact CB-CB 4Å; R1169-H1191 PolarHBondContact N-O 2.93Å; R1169-D1194 IonicContact CZ-OD1 3.16Å; R1169-D1194 IonicContact NE-OD1 3.36Å; R1169-D1194 PolarHBondContact NE-OD1 3.38Å; R1169-D1194 IonicContact NH2-OD1 3.77Å; R1169-D1194 PolarHBondContact NH2-OD1 3.2Å; R1169-D1194 IonicContact NH2-OD2 3.52Å; R1169-E1205 VanDerWaalsContact CA-OE2 3.27Å; R1169-E1205 WeakPolarHBondContact CA-OE2 3.32Å; R1169-E1205 WeakPolarHBondContact CB-OE2 3.2Å; R1169-E1205 WeakPolarHBondContact CD-OE2 3.49Å; R1169-V1207 PolarHBondContact NH1-O 3.45Å; R1169-P1208 PolarHBondContact NH1-O 2.92Å | ||
| 1170 | D | 82.8 | Confident | 91.4 | Very high | 21 Ų | 21 | 10.5 Ų | 10.5 | 11% | 0.112 | 6% | 0.056 | C | C | . | . | trans | 57.9 | 44.5 | -179.6 | -148.2 | 17.7 | 0 | 0 | 0 | 111.7 | H1172 N1175 H1191 K1197 R1204 E1205 | D1170-H1172 PolarHBondContact O-CD2 3.33Å; D1170-N1175 PolarHBondContact O-ND2 3.41Å; D1170-H1191 IonicContact OD2-CD2 2.74Å; D1170-K1197 IonicContact OD2-NZ 3.57Å; D1170-K1197 PolarHBondContact OD2-NZ 2.85Å; D1170-R1204 IonicContact OD1-NH1 2.84Å; D1170-E1205 VanDerWaalsContact C-OE1 3.3Å; D1170-E1205 WeakPolarHBondContact CA-OE1 3.46Å; D1170-E1205 PolarHBondContact N-OE1 3.33Å; D1170-E1205 PolarHBondContact N-OE2 3.35Å | ||
| 1171 | R | 87.8 | Confident | 91.3 | Very high | 7 Ų | 7 | 11.2 Ų | 11.2 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | trans | -89.7 | 109.9 | -178.1 | -65.2 | -54.4 | 90 | 177.9 | 8.5 | 111 | R1169 N1175 H1186 I1187 D1188 E1205 V1210 W1333 | R1169-R1171 VanDerWaalsContact O-CZ 3.31Å; R1169-R1171 PolarHBondContact O-N 2.77Å; R1169-R1171 PolarHBondContact O-NE 3.03Å; R1169-R1171 PolarHBondContact O-NH2 2.85Å; R1171-N1175 PolarHBondContact NH2-ND2 3.34Å; R1171-H1186 VanDerWaalsContact CD-ND1 3.33Å; R1171-H1186 WeakPolarHBondContact CD-ND1 3.46Å; R1171-I1187 PolarHBondContact NH1-O 3.16Å; R1171-D1188 PolarHBondContact NH1-O 3.46Å; R1171-D1188 PolarHBondContact NH2-O 2.9Å; R1171-E1205 PolarHBondContact N-OE1 2.85Å; R1171-V1210 HydrophobicContact CB-CB 4.1Å; R1171-V1210 HydrophobicContact CB-CG2 3.57Å; R1171-V1210 HydrophobicContact CG-CG2 4.42Å; R1171-W1333 PolarHBondContact O-NE1 2.97Å | ||
| 1172 | H | 85.2 | Confident | 91.1 | Very high | 24 Ų | 24 | 11.2 Ų | 11.2 | 11% | 0.111 | 6% | 0.061 | C | C | . | . | trans | -137.5 | 169.5 | -177.5 | 58.1 | 88.4 | 0 | 0 | 0 | 111.6 | D1170 D1174 N1175 I1176 H1336 | D1170-H1172 PolarHBondContact O-CD2 3.33Å; H1172-D1174 IonicContact CE1-OD2 2.75Å; H1172-D1174 IonicContact ND1-OD2 3.36Å; H1172-D1174 PolarHBondContact ND1-OD2 3.17Å; H1172-D1174 PolarHBondContact O-N 3.04Å; H1172-N1175 PolarHBondContact N-OD1 2.87Å; H1172-N1175 PolarHBondContact O-N 3.44Å; H1172-N1175 VanDerWaalsContact O-N 3.09Å; H1172-N1175 PolarHBondContact O-OD1 3Å; H1172-I1176 PolarHBondContact O-N 3.02Å; H1172-H1336 AromaticContact CD2-NE2 3.94Å; H1172-H1336 AromaticContact CE1-CE1 3.65Å; H1172-H1336 AromaticContact CG-CE1 3.94Å; H1172-H1336 AromaticContact CG-ND1 3.98Å; H1172-H1336 AromaticContact ND1-CE1 3.67Å; H1172-H1336 AromaticContact ND1-ND1 3.72Å; H1172-H1336 AromaticContact NE2-CE1 3.86Å | ||
| 1173 | P | 86.8 | Confident | 91.2 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.4 | -172.8 | -27.5 | 37.4 | 0 | 0 | 0 | 115.7 | V1100 M1101 W1333 | V1100-P1173 HydrophobicContact CB-CB 4.16Å; V1100-P1173 HydrophobicContact CG1-CB 4.17Å; V1100-P1173 PolarHBondContact N-O 2.98Å; V1100-P1173 VanDerWaalsContact N-O 3.11Å; M1101-P1173 HydrophobicContact CB-CB 3.84Å; M1101-P1173 HydrophobicContact CE-CB 3.94Å; M1101-P1173 HydrophobicContact CE-CG 4.2Å; M1101-P1173 PolarHBondContact N-O 2.66Å; M1101-P1173 HydrophobicContact SD-CB 4.09Å; P1173-W1333 HydrophobicContact CB-CE3 4.48Å; P1173-W1333 HydrophobicContact CG-CB 3.97Å; P1173-W1333 HydrophobicContact CG-CD2 3.39Å; P1173-W1333 HydrophobicContact CG-CE3 3.32Å; P1173-W1333 HydrophobicContact CG-CG 3.75Å; P1173-W1333 HydrophobicContact CG-CH2 4.17Å; P1173-W1333 HydrophobicContact CG-CZ2 4.28Å; P1173-W1333 HydrophobicContact CG-CZ3 3.74Å |
| 1174 | D | 87.4 | Confident | 91.3 | Very high | 45 Ų | 45 | 11.5 Ų | 11.5 | 24% | 0.241 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -25.3 | 178.7 | -53.7 | -66.6 | 0 | 0 | 0 | 113.2 | T1099 M1101 H1172 H1336 | T1099-D1174 WeakPolarHBondContact CG2-O 3.28Å; M1101-D1174 WeakPolarHBondContact CB-OD1 3.45Å; M1101-D1174 WeakPolarHBondContact CE-OD2 2.84Å; M1101-D1174 WeakPolarHBondContact CG-OD1 3.32Å; H1172-D1174 IonicContact CE1-OD2 2.75Å; H1172-D1174 IonicContact ND1-OD2 3.36Å; H1172-D1174 PolarHBondContact ND1-OD2 3.17Å; H1172-D1174 PolarHBondContact O-N 3.04Å; D1174-H1336 IonicContact OD2-ND1 3.51Å |
| 1175 | N | 92.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 11.3 Ų | 11.3 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -110 | 15.5 | 179.1 | 73.4 | -0 | 0 | 0 | 0 | 113.6 | D1170 R1171 H1172 I1187 D1188 | D1170-N1175 PolarHBondContact O-ND2 3.41Å; R1171-N1175 PolarHBondContact NH2-ND2 3.34Å; H1172-N1175 PolarHBondContact N-OD1 2.87Å; H1172-N1175 PolarHBondContact O-N 3.44Å; H1172-N1175 VanDerWaalsContact O-N 3.09Å; H1172-N1175 PolarHBondContact O-OD1 3Å; N1175-I1187 HydrophobicContact CB-CG1 3.91Å; N1175-I1187 WeakPolarHBondContact O-CG1 3.3Å; N1175-I1187 PolarHBondContact O-N 3.34Å; N1175-D1188 HydrophobicContact CB-CB 4.34Å |
| 1176 | I | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.1 | 164.7 | -56.1 | 173.6 | 0 | 0 | 0 | 107.5 | T1099 V1100 H1172 L1184 V1210 F1215 W1333 | T1099-I1176 CarbonylContact C-O 3.41Å; T1099-I1176 WeakPolarHBondContact CA-O 2.95Å; V1100-I1176 HydrophobicContact CG2-CB 4.13Å; V1100-I1176 HydrophobicContact CG2-CG2 3.88Å; V1100-I1176 WeakPolarHBondContact CG2-O 3.33Å; V1100-I1176 PolarHBondContact N-O 3.08Å; H1172-I1176 PolarHBondContact O-N 3.02Å; I1176-L1184 HydrophobicContact CG2-CD1 3.92Å; I1176-L1184 HydrophobicContact CG2-CD2 4.09Å; I1176-L1184 HydrophobicContact CG2-CG 3.84Å; I1176-V1210 HydrophobicContact CD1-CG1 4.46Å; I1176-F1215 HydrophobicContact CD1-CE2 4.15Å; I1176-F1215 HydrophobicContact CD1-CZ 3.95Å; I1176-F1215 HydrophobicContact CG2-CZ 3.97Å; I1176-W1333 HydrophobicContact CD1-CH2 4.13Å; I1176-W1333 HydrophobicContact CD1-CZ2 3.8Å |
| 1177 | M | 96.9 | Very high | 91.6 | Very high | 30 Ų | 30 | 13.4 Ų | 13.4 | 15% | 0.148 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 155.4 | -176.6 | -62.8 | -169.9 | 78.2 | 0 | 0 | 111.1 | S1097 R1098 T1099 L1184 F1185 I1187 | S1097-M1177 WeakPolarHBondContact OG-CE 3.26Å; R1098-M1177 CarbonylContact O-C 3.57Å; R1098-M1177 VanDerWaalsContact O-CA 3.26Å; R1098-M1177 WeakPolarHBondContact O-CA 3.35Å; T1099-M1177 HydrophobicContact CG2-CE 4.27Å; T1099-M1177 HydrophobicContact CG2-CG 4.03Å; T1099-M1177 HydrophobicContact CG2-SD 4.49Å; M1177-L1184 CarbonylContact O-C 3.45Å; M1177-L1184 WeakPolarHBondContact O-CA 2.95Å; M1177-F1185 HydrophobicContact CB-CD1 4.17Å; M1177-F1185 HydrophobicContact CB-CD2 4.19Å; M1177-F1185 HydrophobicContact CB-CE1 3.63Å; M1177-F1185 HydrophobicContact CB-CE2 3.66Å; M1177-F1185 HydrophobicContact CB-CG 4.42Å; M1177-F1185 HydrophobicContact CB-CZ 3.34Å; M1177-F1185 HydrophobicContact CE-CZ 4.42Å; M1177-F1185 HydrophobicContact CG-CE2 4.16Å; M1177-F1185 HydrophobicContact CG-CZ 4.13Å; M1177-F1185 PolarHBondContact N-O 3.3Å; M1177-F1185 PolarHBondContact O-N 2.86Å; M1177-F1185 HydrophobicContact SD-CE2 3.83Å; M1177-F1185 HydrophobicContact SD-CZ 3.84Å; M1177-I1187 HydrophobicContact CG-CD1 4.16Å; M1177-I1187 HydrophobicContact CG-CG1 4.42Å; M1177-I1187 HydrophobicContact CG-CG2 4.4Å; M1177-I1187 HydrophobicContact SD-CD1 3.78Å; M1177-I1187 HydrophobicContact SD-CG1 4.43Å; M1177-I1187 HydrophobicContact SD-CG2 3.96Å |
| 1178 | V | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.1 | 173.1 | -173 | 0 | 0 | 0 | 0 | 108.9 | S1097 R1098 V1100 I1103 L1119 W1122 L1123 F1152 R1183 L1184 | S1097-V1178 WeakPolarHBondContact CA-O 3.4Å; R1098-V1178 PolarHBondContact N-O 2.94Å; R1098-V1178 PolarHBondContact O-N 3.47Å; V1100-V1178 HydrophobicContact CG2-CG2 4.14Å; I1103-V1178 HydrophobicContact CD1-CB 4.38Å; L1119-V1178 HydrophobicContact CD1-CG2 4.06Å; W1122-V1178 HydrophobicContact CZ3-CB 4.46Å; W1122-V1178 HydrophobicContact CZ3-CG1 4.03Å; L1123-V1178 HydrophobicContact CD2-CG1 3.98Å; F1152-V1178 HydrophobicContact CD2-CG1 4.35Å; F1152-V1178 HydrophobicContact CE2-CG2 4.09Å; V1178-R1183 VanDerWaalsContact CA-O 3.31Å; V1178-R1183 WeakPolarHBondContact CA-O 3.28Å; V1178-L1184 HydrophobicContact CG2-CB 4.3Å; V1178-L1184 HydrophobicContact CG2-CG 4.47Å |
| 1179 | D | 93.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 16.7 Ų | 16.7 | 9% | 0.086 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 168.2 | 175.1 | 80 | 10.7 | 0 | 0 | 0 | 112.8 | D1096 T1181 G1182 R1183 F1185 | D1096-D1179 CarbonylContact O-C 3.59Å; D1179-T1181 VanDerWaalsContact CG-OG1 3.24Å; D1179-T1181 PolarHBondContact O-N 3.17Å; D1179-T1181 VanDerWaalsContact O-N 3.13Å; D1179-T1181 VanDerWaalsContact OD1-CA 3.24Å; D1179-T1181 WeakPolarHBondContact OD1-CA 3.34Å; D1179-T1181 WeakPolarHBondContact OD1-CB 3.44Å; D1179-T1181 PolarHBondContact OD1-N 3.4Å; D1179-T1181 PolarHBondContact OD1-OG1 3.5Å; D1179-T1181 PolarHBondContact OD2-OG1 2.88Å; D1179-G1182 PolarHBondContact O-N 3.35Å; D1179-G1182 PolarHBondContact OD1-N 3.2Å; D1179-R1183 PolarHBondContact N-O 2.89Å; D1179-R1183 PolarHBondContact OD1-N 3.49Å; D1179-F1185 HydrophobicContact CB-CE1 4.41Å |
| 1180 | S | 88.8 | Confident | 91.4 | Very high | 35 Ų | 35 | 17.5 Ų | 17.5 | 25% | 0.245 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.8 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | D1096 M1148 | D1096-S1180 PolarHBondContact O-N 2.61Å; M1148-S1180 WeakPolarHBondContact CE-O 3.08Å |
| 1181 | T | 89.1 | Confident | 91.7 | Very high | 22 Ų | 22 | 18.4 Ų | 18.4 | 14% | 0.135 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -9.4 | 174.6 | 78.8 | 0 | 0 | 0 | 0 | 113.1 | D1179 R1183 | D1179-T1181 VanDerWaalsContact CG-OG1 3.24Å; D1179-T1181 PolarHBondContact O-N 3.17Å; D1179-T1181 VanDerWaalsContact O-N 3.13Å; D1179-T1181 VanDerWaalsContact OD1-CA 3.24Å; D1179-T1181 WeakPolarHBondContact OD1-CA 3.34Å; D1179-T1181 WeakPolarHBondContact OD1-CB 3.44Å; D1179-T1181 PolarHBondContact OD1-N 3.4Å; D1179-T1181 PolarHBondContact OD1-OG1 3.5Å; D1179-T1181 PolarHBondContact OD2-OG1 2.88Å; T1181-R1183 PolarHBondContact OG1-NH1 3.24Å; T1181-R1183 VanDerWaalsContact OG1-NH1 3.11Å |
| 1182 | G | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 95.8 | 3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1152 D1179 L1184 | F1152-G1182 WeakPolarHBondContact CA-O 3.41Å; F1152-G1182 VanDerWaalsContact CB-O 3.26Å; F1152-G1182 WeakPolarHBondContact CB-O 3.48Å; F1152-G1182 PolarHBondContact N-O 3.38Å; D1179-G1182 PolarHBondContact O-N 3.35Å; D1179-G1182 PolarHBondContact OD1-N 3.2Å; G1182-L1184 PolarHBondContact O-N 3.18Å |
| 1183 | R | 95.6 | Very high | 92 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | trans | -70.5 | 118 | 174.9 | -70.3 | -177 | 172.6 | 79.2 | 0.7 | 109.5 | E283 H284 C1075 T1151 V1178 D1179 T1181 | E283-R1183 PolarHBondContact O-NH2 3.36Å; H284-R1183 PolarHBondContact CD2-NH1 3.42Å; H284-R1183 PolarHBondContact CD2-NH2 3.5Å; H284-R1183 VanDerWaalsContact CG-NH2 3.35Å; H284-R1183 PolarHBondContact NE2-NH2 2.74Å; C1075-R1183 HydrophobicContact CB-CG 4.43Å; T1151-R1183 HydrophobicContact CG2-CB 4.23Å; T1151-R1183 HydrophobicContact CG2-CG 3.34Å; V1178-R1183 VanDerWaalsContact CA-O 3.31Å; V1178-R1183 WeakPolarHBondContact CA-O 3.28Å; D1179-R1183 PolarHBondContact N-O 2.89Å; D1179-R1183 PolarHBondContact OD1-N 3.49Å; T1181-R1183 PolarHBondContact OG1-NH1 3.24Å; T1181-R1183 VanDerWaalsContact OG1-NH1 3.11Å | ||
| 1184 | L | 96.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.9 | 161.7 | 179.5 | 149.3 | 0 | 0 | 0 | 109.6 | F1152 S1155 Y1159 I1176 M1177 V1178 G1182 F1215 | F1152-L1184 HydrophobicContact CD2-CB 4.09Å; F1152-L1184 HydrophobicContact CE2-CB 3.93Å; F1152-L1184 HydrophobicContact CE2-CD1 3.66Å; F1152-L1184 HydrophobicContact CE2-CG 4.43Å; F1152-L1184 HydrophobicContact CZ-CD1 3.66Å; S1155-L1184 WeakPolarHBondContact CB-O 3.28Å; S1155-L1184 WeakPolarHBondContact OG-CA 3.41Å; S1155-L1184 WeakPolarHBondContact OG-CB 3.41Å; S1155-L1184 PolarHBondContact OG-N 2.92Å; S1155-L1184 PolarHBondContact OG-O 2.94Å; Y1159-L1184 HydrophobicContact CD2-CD2 4.05Å; Y1159-L1184 VanDerWaalsContact CD2-O 3.28Å; Y1159-L1184 WeakPolarHBondContact CD2-O 3.26Å; Y1159-L1184 WeakPolarHBondContact CE2-O 3.17Å; Y1159-L1184 HydrophobicContact CG-CD2 4.39Å; I1176-L1184 HydrophobicContact CG2-CD1 3.92Å; I1176-L1184 HydrophobicContact CG2-CD2 4.09Å; I1176-L1184 HydrophobicContact CG2-CG 3.84Å; M1177-L1184 CarbonylContact O-C 3.45Å; M1177-L1184 WeakPolarHBondContact O-CA 2.95Å; V1178-L1184 HydrophobicContact CG2-CB 4.3Å; V1178-L1184 HydrophobicContact CG2-CG 4.47Å; G1182-L1184 PolarHBondContact O-N 3.18Å; L1184-F1215 HydrophobicContact CD1-CD1 4.17Å; L1184-F1215 HydrophobicContact CD1-CE1 3.79Å; L1184-F1215 HydrophobicContact CD1-CE2 4.16Å; L1184-F1215 HydrophobicContact CD1-CZ 3.77Å |
| 1185 | F | 97.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 154.5 | 173.9 | 65.3 | -81.5 | 0 | 0 | 0 | 112.7 | T1077 Y1079 V1094 Y1159 M1177 D1179 I1187 | T1077-F1185 HydrophobicContact CG2-CD2 4.47Å; T1077-F1185 HydrophobicContact CG2-CG 4.27Å; Y1079-F1185 HydrophobicContact CD1-CD2 4.39Å; Y1079-F1185 HydrophobicContact CE1-CD2 4.48Å; V1094-F1185 HydrophobicContact CB-CE1 4.41Å; V1094-F1185 HydrophobicContact CB-CE2 4.05Å; V1094-F1185 HydrophobicContact CB-CZ 3.63Å; V1094-F1185 HydrophobicContact CG1-CE1 3.99Å; V1094-F1185 HydrophobicContact CG1-CE2 4.43Å; V1094-F1185 HydrophobicContact CG1-CZ 3.72Å; V1094-F1185 HydrophobicContact CG2-CE2 3.76Å; V1094-F1185 HydrophobicContact CG2-CZ 3.86Å; Y1159-F1185 HydrophobicContact CE2-CB 3.69Å; Y1159-F1185 WeakPolarHBondContact OH-CB 3.35Å; M1177-F1185 HydrophobicContact CB-CD1 4.17Å; M1177-F1185 HydrophobicContact CB-CD2 4.19Å; M1177-F1185 HydrophobicContact CB-CE1 3.63Å; M1177-F1185 HydrophobicContact CB-CE2 3.66Å; M1177-F1185 HydrophobicContact CB-CG 4.42Å; M1177-F1185 HydrophobicContact CB-CZ 3.34Å; M1177-F1185 HydrophobicContact CE-CZ 4.42Å; M1177-F1185 HydrophobicContact CG-CE2 4.16Å; M1177-F1185 HydrophobicContact CG-CZ 4.13Å; M1177-F1185 PolarHBondContact N-O 3.3Å; M1177-F1185 PolarHBondContact O-N 2.86Å; M1177-F1185 HydrophobicContact SD-CE2 3.83Å; M1177-F1185 HydrophobicContact SD-CZ 3.84Å; D1179-F1185 HydrophobicContact CB-CE1 4.41Å; F1185-I1187 HydrophobicContact CD2-CG2 3.96Å; F1185-I1187 HydrophobicContact CE2-CG2 3.76Å |
| 1186 | H | 95.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 150.3 | -180 | -70.3 | -155.9 | 0 | 0 | 0 | 110.1 | Y1159 T1163 R1171 F1189 | Y1159-H1186 HydrophobicContact CD1-CB 3.99Å; Y1159-H1186 AromaticContact CD1-CD2 3.91Å; Y1159-H1186 AromaticContact CD1-CG 3.83Å; Y1159-H1186 HydrophobicContact CE1-CB 4.05Å; Y1159-H1186 AromaticContact CG-CD2 3.89Å; T1163-H1186 WeakPolarHBondContact CG2-ND1 3.42Å; R1171-H1186 VanDerWaalsContact CD-ND1 3.33Å; R1171-H1186 WeakPolarHBondContact CD-ND1 3.46Å; H1186-F1189 HydrophobicContact CB-CE1 3.86Å; H1186-F1189 HydrophobicContact CB-CZ 4.19Å; H1186-F1189 VanDerWaalsContact O-CZ 3.3Å; H1186-F1189 WeakPolarHBondContact O-CZ 3.41Å |
| 1187 | I | 95.1 | Very high | 88.6 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | trans | -129.5 | 170.3 | 173.8 | 61 | 166.3 | 0 | 0 | 0 | 110.7 | Y1079 R1171 N1175 M1177 F1185 | Y1079-I1187 HydrophobicContact CE1-CG2 3.75Å; Y1079-I1187 WeakPolarHBondContact OH-CA 3.49Å; R1171-I1187 PolarHBondContact NH1-O 3.16Å; N1175-I1187 HydrophobicContact CB-CG1 3.91Å; N1175-I1187 WeakPolarHBondContact O-CG1 3.3Å; N1175-I1187 PolarHBondContact O-N 3.34Å; M1177-I1187 HydrophobicContact CG-CD1 4.16Å; M1177-I1187 HydrophobicContact CG-CG1 4.42Å; M1177-I1187 HydrophobicContact CG-CG2 4.4Å; M1177-I1187 HydrophobicContact SD-CD1 3.78Å; M1177-I1187 HydrophobicContact SD-CG1 4.43Å; M1177-I1187 HydrophobicContact SD-CG2 3.96Å; F1185-I1187 HydrophobicContact CD2-CG2 3.96Å; F1185-I1187 HydrophobicContact CE2-CG2 3.76Å | ||
| 1188 | D | 90.5 | Very high | 86.6 | Confident | 72 Ų | 72 | 35.8 Ų | 35.8 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | trans | 59.5 | 79.8 | 173 | -159.8 | 32.2 | 0 | 0 | 0 | 112.7 | K1045 R1171 N1175 G1190 | K1045-D1188 IonicContact NZ-OD1 3.83Å; K1045-D1188 PolarHBondContact NZ-OD1 3.38Å; R1171-D1188 PolarHBondContact NH1-O 3.46Å; R1171-D1188 PolarHBondContact NH2-O 2.9Å; N1175-D1188 HydrophobicContact CB-CB 4.34Å; D1188-G1190 VanDerWaalsContact C-N 3.31Å; D1188-G1190 PolarHBondContact O-N 3.22Å | ||
| 1189 | F | 90.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | trans | -94 | 32.9 | -171.7 | -56.8 | -70.7 | 0 | 0 | 0 | 113.7 | Q1052 D1053 T1056 L1057 L1060 Y1079 I1168 H1186 H1191 | Q1052-F1189 PolarHBondContact NE2-O 3.15Å; D1053-F1189 PolarHBondContact OD1-N 3.35Å; T1056-F1189 HydrophobicContact CG2-CB 3.84Å; T1056-F1189 HydrophobicContact CG2-CD1 3.57Å; T1056-F1189 HydrophobicContact CG2-CD2 3.94Å; T1056-F1189 HydrophobicContact CG2-CE1 4.05Å; T1056-F1189 HydrophobicContact CG2-CE2 4.37Å; T1056-F1189 HydrophobicContact CG2-CG 3.5Å; T1056-F1189 HydrophobicContact CG2-CZ 4.42Å; L1057-F1189 HydrophobicContact CD2-CE2 3.8Å; L1057-F1189 HydrophobicContact CD2-CZ 4.48Å; L1057-F1189 HydrophobicContact CG-CD2 4.31Å; L1057-F1189 HydrophobicContact CG-CE2 3.86Å; L1060-F1189 HydrophobicContact CD1-CE1 4.18Å; L1060-F1189 HydrophobicContact CD1-CE2 4.37Å; L1060-F1189 HydrophobicContact CD1-CZ 3.75Å; Y1079-F1189 HydrophobicContact CE1-CE2 4.33Å; Y1079-F1189 VanDerWaalsContact OH-CE2 3.24Å; Y1079-F1189 WeakPolarHBondContact OH-CE2 3.45Å; I1168-F1189 HydrophobicContact CD1-CD1 3.96Å; I1168-F1189 HydrophobicContact CD1-CE1 4.15Å; I1168-F1189 HydrophobicContact CG2-CD1 3.96Å; H1186-F1189 HydrophobicContact CB-CE1 3.86Å; H1186-F1189 HydrophobicContact CB-CZ 4.19Å; H1186-F1189 VanDerWaalsContact O-CZ 3.3Å; H1186-F1189 WeakPolarHBondContact O-CZ 3.41Å; F1189-H1191 PolarHBondContact O-N 3.18Å | ||
| 1190 | G | 83.4 | Confident | 82 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 32% | 0.32 | 24% | 0.236 | S | C | . | . | trans | -66.5 | -2.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q1052 D1188 | Q1052-G1190 PolarHBondContact NE2-O 3.06Å; D1188-G1190 VanDerWaalsContact C-N 3.31Å; D1188-G1190 PolarHBondContact O-N 3.22Å | ||
| 1191 | H | 87.6 | Confident | 80.1 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | trans | -138.3 | 107 | 176.2 | -64.6 | -51.9 | 0 | 0 | 0 | 111.6 | I1168 R1169 D1170 F1189 K1197 E1287 | I1168-H1191 WeakPolarHBondContact CA-O 3.33Å; R1169-H1191 HydrophobicContact CB-CB 4Å; R1169-H1191 PolarHBondContact N-O 2.93Å; D1170-H1191 IonicContact OD2-CD2 2.74Å; F1189-H1191 PolarHBondContact O-N 3.18Å; H1191-K1197 PolarHBondContact NE2-NZ 3.39Å; H1191-E1287 WeakPolarHBondContact CA-OE1 3.36Å; H1191-E1287 WeakPolarHBondContact CA-OE2 3.19Å; H1191-E1287 IonicContact CE1-OE1 3.86Å; H1191-E1287 IonicContact CG-OE1 2.93Å; H1191-E1287 IonicContact ND1-OE1 3.84Å; H1191-E1287 PolarHBondContact ND1-OE1 3.09Å | ||
| 1192 | I | 90.7 | Very high | 78.1 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | trans | -126.1 | 171 | -179 | 66.9 | 172.1 | 0 | 0 | 0 | 111.6 | Q1052 G1167 I1168 D1194 N1195 E1287 | Q1052-I1192 HydrophobicContact CG-CD1 3.98Å; Q1052-I1192 HydrophobicContact CG-CG1 4.32Å; G1167-I1192 CarbonylContact O-C 3.54Å; I1168-I1192 HydrophobicContact CG1-CG2 4.18Å; I1192-D1194 VanDerWaalsContact C-N 3.27Å; I1192-D1194 PolarHBondContact O-N 3.23Å; I1192-N1195 WeakPolarHBondContact O-CB 3.24Å; I1192-N1195 PolarHBondContact O-N 2.94Å; I1192-N1195 PolarHBondContact O-ND2 3.47Å; I1192-E1287 HydrophobicContact CG1-CB 4.24Å; I1192-E1287 PolarHBondContact N-OE2 3.08Å | ||
| 1193 | L | 88.6 | Confident | 76.3 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 34.1 | 175.1 | -55.3 | 176.5 | 0 | 0 | 0 | 114.1 | L1166 G1167 N1195 L1288 D1293 L1294 V1297 | L1166-L1193 WeakPolarHBondContact O-CA 3.37Å; L1166-L1193 PolarHBondContact O-N 3.5Å; G1167-L1193 PolarHBondContact O-N 2.87Å; L1193-N1195 PolarHBondContact O-N 3.39Å; L1193-L1288 HydrophobicContact CD1-CB 4.06Å; L1193-L1288 HydrophobicContact CD1-CD1 3.79Å; L1193-L1288 HydrophobicContact CD1-CG 4.36Å; L1193-D1293 HydrophobicContact CD1-CB 4.22Å; L1193-L1294 HydrophobicContact CD1-CD2 4.27Å; L1193-V1297 HydrophobicContact CD2-CG2 3.35Å |
| 1194 | D | 82.1 | Confident | 74.4 | Confident | 43 Ų | 43 | 63 Ų | 63 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 23.1 | -174.5 | -161.8 | 25.4 | 0 | 0 | 0 | 114.7 | G1167 R1169 I1192 R1196 H1296 | G1167-D1194 PolarHBondContact O-N 3.09Å; G1167-D1194 VanDerWaalsContact O-N 3.16Å; R1169-D1194 IonicContact CZ-OD1 3.16Å; R1169-D1194 IonicContact NE-OD1 3.36Å; R1169-D1194 PolarHBondContact NE-OD1 3.38Å; R1169-D1194 IonicContact NH2-OD1 3.77Å; R1169-D1194 PolarHBondContact NH2-OD1 3.2Å; R1169-D1194 IonicContact NH2-OD2 3.52Å; I1192-D1194 VanDerWaalsContact C-N 3.27Å; I1192-D1194 PolarHBondContact O-N 3.23Å; D1194-R1196 WeakPolarHBondContact O-CG 3.3Å; D1194-R1196 PolarHBondContact O-N 3.1Å; D1194-R1196 WeakPolarHBondContact OD1-CG 3.43Å; D1194-R1196 IonicContact OD1-CZ 3.97Å; D1194-R1196 IonicContact OD1-NE 2.65Å; D1194-R1196 PolarHBondContact OD1-NE 3.15Å; D1194-R1196 IonicContact OD1-NH2 2.82Å; D1194-R1196 PolarHBondContact OD1-NH2 3.34Å; D1194-R1196 IonicContact OD2-CZ 2.79Å; D1194-R1196 IonicContact OD2-NE 3.99Å; D1194-R1196 IonicContact OD2-NH2 3.67Å; D1194-R1196 PolarHBondContact OD2-NH2 2.85Å; D1194-H1296 HydrophobicContact CB-CB 4.27Å; D1194-H1296 WeakPolarHBondContact CB-ND1 3.23Å |
| 1195 | N | 77.6 | Confident | 72.5 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | trans | -68.6 | 105.6 | 166.8 | -82.3 | -58.1 | 0 | 0 | 0 | 110.1 | I1192 L1193 E1287 | I1192-N1195 WeakPolarHBondContact O-CB 3.24Å; I1192-N1195 PolarHBondContact O-N 2.94Å; I1192-N1195 PolarHBondContact O-ND2 3.47Å; L1193-N1195 PolarHBondContact O-N 3.39Å; N1195-E1287 HydrophobicContact CB-CB 4.48Å; N1195-E1287 HydrophobicContact CB-CG 3.99Å; N1195-E1287 VanDerWaalsContact ND2-CB 3.31Å; N1195-E1287 WeakPolarHBondContact ND2-CB 3.39Å; N1195-E1287 PolarHBondContact ND2-O 3.38Å | ||
| 1196 | R | 70.3 | Confident | 70.6 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 130.2 | -176.1 | -60.6 | -176.2 | -164.9 | -177.4 | 11.2 | 111.4 | D1194 K1198 T1203 | D1194-R1196 WeakPolarHBondContact O-CG 3.3Å; D1194-R1196 PolarHBondContact O-N 3.1Å; D1194-R1196 WeakPolarHBondContact OD1-CG 3.43Å; D1194-R1196 IonicContact OD1-CZ 3.97Å; D1194-R1196 IonicContact OD1-NE 2.65Å; D1194-R1196 PolarHBondContact OD1-NE 3.15Å; D1194-R1196 IonicContact OD1-NH2 2.82Å; D1194-R1196 PolarHBondContact OD1-NH2 3.34Å; D1194-R1196 IonicContact OD2-CZ 2.79Å; D1194-R1196 IonicContact OD2-NE 3.99Å; D1194-R1196 IonicContact OD2-NH2 3.67Å; D1194-R1196 PolarHBondContact OD2-NH2 2.85Å; R1196-K1198 PolarHBondContact O-N 3.16Å; R1196-T1203 HydrophobicContact CB-CG2 3.93Å; R1196-T1203 HydrophobicContact CG-CG2 4.37Å |
| 1197 | K | 60.3 | Low | 68.9 | Low | 99 Ų | 99 | 75.4 Ų | 75.4 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 116.1 | 165.2 | -150.3 | 173.9 | -161.2 | 147 | 0 | 109.8 | D1170 H1191 | D1170-K1197 IonicContact OD2-NZ 3.57Å; D1170-K1197 PolarHBondContact OD2-NZ 2.85Å; H1191-K1197 PolarHBondContact NE2-NZ 3.39Å |
| 1198 | K | 54.6 | Low | 67.2 | Low | 162 Ų | 162 | 74.1 Ų | 74.1 | 70% | 0.704 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.2 | 173.5 | -66.4 | 179.9 | -177.5 | 174.5 | 0 | 109.2 | R1196 | R1196-K1198 PolarHBondContact O-N 3.16Å |
| 1199 | K | 47.5 | Very low | 66.3 | Low | 104 Ų | 104 | 71 Ų | 71 | 45% | 0.452 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.8 | 170.1 | -162.8 | 177.3 | -178.6 | 179.3 | 0 | 108 | G1201 F1202 | K1199-G1201 PolarHBondContact O-N 2.87Å; K1199-F1202 PolarHBondContact N-O 3.18Å; K1199-F1202 VanDerWaalsContact N-O 3.11Å; K1199-F1202 PolarHBondContact O-N 2.96Å; K1199-F1202 VanDerWaalsContact O-N 3.15Å |
| 1200 | F | 47.6 | Very low | 65.4 | Low | 186 Ų | 186 | 71.5 Ų | 71.5 | 82% | 0.816 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.3 | -173.5 | -55 | -72.4 | 0 | 0 | 0 | 114.6 | F1202 | F1200-F1202 WeakPolarHBondContact O-CD2 3.37Å; F1200-F1202 PolarHBondContact O-N 3.37Å |
| 1201 | G | 48.4 | Very low | 65.3 | Low | 65 Ų | 65 | 70 Ų | 70 | 67% | 0.67 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -10.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1199 | K1199-G1201 PolarHBondContact O-N 2.87Š|
| 1202 | F | 47.7 | Very low | 65 | Low | 163 Ų | 163 | 68 Ų | 68 | 72% | 0.715 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137 | 175.3 | -61.6 | -82 | 0 | 0 | 0 | 111 | K1199 F1200 R1204 | K1199-F1202 PolarHBondContact N-O 3.18Å; K1199-F1202 VanDerWaalsContact N-O 3.11Å; K1199-F1202 PolarHBondContact O-N 2.96Å; K1199-F1202 VanDerWaalsContact O-N 3.15Å; F1200-F1202 WeakPolarHBondContact O-CD2 3.37Å; F1200-F1202 PolarHBondContact O-N 3.37Å; F1202-R1204 PolarHBondContact O-N 3.37Å |
| 1203 | T | 55 | Low | 64.5 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 32% | 0.319 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.1 | 172.2 | 43.9 | 0 | 0 | 0 | 0 | 109.5 | R1196 E1205 | R1196-T1203 HydrophobicContact CB-CG2 3.93Å; R1196-T1203 HydrophobicContact CG-CG2 4.37Å; T1203-E1205 VanDerWaalsContact C-N 3.33Å; T1203-E1205 PolarHBondContact O-N 2.85Å |
| 1204 | R | 54.9 | Low | 64.5 | Low | 81 Ų | 81 | 70 Ų | 70 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -65.3 | -35.8 | -174.4 | -133 | -178.4 | 177.5 | -167 | -3.9 | 112.7 | D1170 F1202 H1336 | D1170-R1204 IonicContact OD1-NH1 2.84Å; F1202-R1204 PolarHBondContact O-N 3.37Å; R1204-H1336 PolarHBondContact NH1-NE2 2.95Å |
| 1205 | E | 58 | Low | 64.9 | Low | 38 Ų | 38 | 68 Ų | 68 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | trans | -110.9 | 129.4 | -178.2 | -69.1 | -179.7 | 158.2 | 0 | 0 | 111.4 | R1169 D1170 R1171 T1203 | R1169-E1205 VanDerWaalsContact CA-OE2 3.27Å; R1169-E1205 WeakPolarHBondContact CA-OE2 3.32Å; R1169-E1205 WeakPolarHBondContact CB-OE2 3.2Å; R1169-E1205 WeakPolarHBondContact CD-OE2 3.49Å; D1170-E1205 VanDerWaalsContact C-OE1 3.3Å; D1170-E1205 WeakPolarHBondContact CA-OE1 3.46Å; D1170-E1205 PolarHBondContact N-OE1 3.33Å; D1170-E1205 PolarHBondContact N-OE2 3.35Å; R1171-E1205 PolarHBondContact N-OE1 2.85Å; T1203-E1205 VanDerWaalsContact C-N 3.33Å; T1203-E1205 PolarHBondContact O-N 2.85Å | ||
| 1206 | R | 56 | Low | 65.3 | Low | 211 Ų | 211 | 66 Ų | 66 | 80% | 0.796 | 31% | 0.305 | S | S | * | . | trans | -108.8 | -26.9 | 179.8 | -54.6 | -175.1 | -159.8 | -173.6 | 5.9 | 113 | ||||
| 1207 | V | 61.3 | Low | 66.2 | Low | 21 Ų | 21 | 61.2 Ų | 61.2 | 13% | 0.127 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -85.7 | 144.7 | -177.1 | -76.6 | 0 | 0 | 0 | 0 | 111.5 | R1169 F1209 | R1169-V1207 PolarHBondContact NH1-O 3.45Å; V1207-F1209 VanDerWaalsContact C-N 3.3Å; V1207-F1209 PolarHBondContact O-N 2.9Å |
| 1208 | P | 59 | Low | 67.8 | Low | 15 Ų | 15 | 56.5 Ų | 56.5 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -66.5 | -29.2 | -172.9 | 22.3 | -30.2 | 0 | 0 | 0 | 113.5 | F1164 R1169 K1318 A1322 | F1164-P1208 HydrophobicContact CD2-CB 4.01Å; F1164-P1208 HydrophobicContact CE2-CB 4.12Å; R1169-P1208 PolarHBondContact NH1-O 2.92Å; P1208-K1318 HydrophobicContact CB-CD 4.41Å; P1208-K1318 HydrophobicContact CG-CB 4.41Å; P1208-K1318 HydrophobicContact CG-CD 4.32Å; P1208-K1318 WeakPolarHBondContact CG-O 3.38Å; P1208-A1322 HydrophobicContact CG-CB 4.19Å |
| 1209 | F | 72.1 | Confident | 69.5 | Low | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -154.8 | 172.4 | 171.5 | 64.3 | -85.4 | 0 | 0 | 0 | 110.1 | C1160 F1164 V1207 L1211 F1319 A1322 | C1160-F1209 HydrophobicContact CB-CD2 4Å; C1160-F1209 HydrophobicContact CB-CE2 4.08Å; F1164-F1209 HydrophobicContact CB-CB 4.18Å; F1164-F1209 HydrophobicContact CB-CD1 4.09Å; F1164-F1209 HydrophobicContact CB-CG 4.38Å; F1164-F1209 HydrophobicContact CD2-CD1 4.21Å; F1164-F1209 HydrophobicContact CG-CD1 4.39Å; V1207-F1209 VanDerWaalsContact C-N 3.3Å; V1207-F1209 PolarHBondContact O-N 2.9Å; F1209-L1211 HydrophobicContact CE2-CB 4.05Å; F1209-F1319 HydrophobicContact CE1-CB 4.37Å; F1209-F1319 HydrophobicContact CE1-CD2 4.25Å; F1209-F1319 HydrophobicContact CE2-CD2 4.15Å; F1209-F1319 HydrophobicContact CE2-CE2 4.29Å; F1209-F1319 HydrophobicContact CZ-CB 4.17Å; F1209-F1319 AromaticContact CZ-CD2 3.41Å; F1209-F1319 HydrophobicContact CZ-CD2 3.41Å; F1209-F1319 VanDerWaalsContact CZ-CD2 3.41Å; F1209-F1319 AromaticContact CZ-CE2 3.98Å; F1209-F1319 HydrophobicContact CZ-CE2 3.98Å; F1209-F1319 AromaticContact CZ-CG 3.93Å; F1209-F1319 HydrophobicContact CZ-CG 3.93Å; F1209-A1322 HydrophobicContact CD1-CB 3.93Å; F1209-A1322 HydrophobicContact CD2-CB 4.28Å; F1209-A1322 HydrophobicContact CE1-CB 3.5Å; F1209-A1322 VanDerWaalsContact CE1-CB 3.5Å; F1209-A1322 HydrophobicContact CE2-CB 3.89Å; F1209-A1322 HydrophobicContact CG-CB 4.29Å; F1209-A1322 HydrophobicContact CZ-CB 3.46Å; F1209-A1322 VanDerWaalsContact CZ-CB 3.46Å |
| 1210 | V | 71.7 | Confident | 71.5 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | trans | -101.8 | 114.5 | -173.3 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | R1171 I1176 T1212 T1329 W1333 | R1171-V1210 HydrophobicContact CB-CB 4.1Å; R1171-V1210 HydrophobicContact CB-CG2 3.57Å; R1171-V1210 HydrophobicContact CG-CG2 4.42Å; I1176-V1210 HydrophobicContact CD1-CG1 4.46Å; V1210-T1212 HydrophobicContact CG1-CG2 3.81Å; V1210-T1329 HydrophobicContact CG1-CG2 4.02Å; V1210-T1329 HydrophobicContact CG2-CG2 4.26Å; V1210-W1333 HydrophobicContact CG1-CH2 4.39Å; V1210-W1333 HydrophobicContact CG1-CZ2 3.47Å; V1210-W1333 VanDerWaalsContact CG1-CZ2 3.47Å | ||
| 1211 | L | 79.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -132.3 | 112 | 169.7 | -175.1 | 68.1 | 0 | 0 | 0 | 108.8 | F1209 F1215 I1216 F1252 F1255 F1319 Y1323 A1326 | F1209-L1211 HydrophobicContact CE2-CB 4.05Å; L1211-F1215 HydrophobicContact CD1-CB 4.41Å; L1211-I1216 HydrophobicContact CD2-CG1 4.5Å; L1211-I1216 HydrophobicContact CG-CD1 4.42Å; L1211-I1216 HydrophobicContact CG-CG1 4.22Å; L1211-F1252 HydrophobicContact CD2-CE2 4.11Å; L1211-F1252 HydrophobicContact CD2-CZ 4.05Å; L1211-F1255 HydrophobicContact CD1-CE1 3.92Å; L1211-F1255 HydrophobicContact CD1-CZ 4.02Å; L1211-F1255 HydrophobicContact CD2-CE1 4.19Å; L1211-F1319 HydrophobicContact CD2-CE1 4.47Å; L1211-F1319 HydrophobicContact CD2-CZ 4.01Å; L1211-Y1323 HydrophobicContact CD2-CD2 4.19Å; L1211-A1326 WeakPolarHBondContact O-CB 3.31Å | ||
| 1212 | T | 81.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -106.5 | 161.8 | -172 | 65.6 | 0 | 0 | 0 | 0 | 113 | V1210 D1214 F1215 I1216 T1329 W1333 | V1210-T1212 HydrophobicContact CG1-CG2 3.81Å; T1212-D1214 PolarHBondContact O-N 3.02Å; T1212-D1214 VanDerWaalsContact O-N 3.14Å; T1212-F1215 PolarHBondContact O-N 3.17Å; T1212-F1215 VanDerWaalsContact O-N 3.08Å; T1212-I1216 WeakPolarHBondContact O-CG1 3.31Å; T1212-I1216 PolarHBondContact O-N 3.32Å; T1212-T1329 HydrophobicContact CG2-CG2 4.05Å; T1212-W1333 HydrophobicContact CG2-CD2 3.79Å; T1212-W1333 HydrophobicContact CG2-CE3 3.67Å; T1212-W1333 HydrophobicContact CG2-CH2 3.37Å; T1212-W1333 HydrophobicContact CG2-CZ2 3.43Å; T1212-W1333 VanDerWaalsContact CG2-CZ2 3.43Å; T1212-W1333 HydrophobicContact CG2-CZ3 3.47Å; T1212-W1333 VanDerWaalsContact CG2-CZ3 3.47Å; T1212-W1333 WeakPolarHBondContact OG1-CZ3 3.45Å | ||
| 1213 | K | 81.2 | Confident | 76.8 | Confident | 55 Ų | 55 | 33 Ų | 33 | 24% | 0.239 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.3 | -29.4 | 177.1 | -168 | 164 | -174.6 | 168.1 | 0 | 112.1 | T1217 D1225 K1330 | K1213-T1217 WeakPolarHBondContact O-CB 3.43Å; K1213-T1217 PolarHBondContact O-N 2.92Å; K1213-T1217 PolarHBondContact O-OG1 2.92Å; K1213-D1225 IonicContact NZ-OD1 2.7Å; K1213-D1225 PolarHBondContact NZ-OD1 3.5Å; K1213-K1330 HydrophobicContact CB-CD 4.48Å |
| 1214 | D | 87.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | 177.1 | -68.4 | 41.8 | 0 | 0 | 0 | 111.4 | Q1104 S1116 T1212 T1217 V1218 K1330 | Q1104-D1214 PolarHBondContact NE2-OD2 2.84Å; S1116-D1214 WeakPolarHBondContact CA-OD1 3.36Å; S1116-D1214 VanDerWaalsContact CB-OD1 3.29Å; S1116-D1214 WeakPolarHBondContact CB-OD1 3.29Å; T1212-D1214 PolarHBondContact O-N 3.02Å; T1212-D1214 VanDerWaalsContact O-N 3.14Å; D1214-T1217 WeakPolarHBondContact O-CB 3.34Å; D1214-T1217 PolarHBondContact O-N 3.02Å; D1214-V1218 PolarHBondContact O-N 2.95Å; D1214-K1330 IonicContact OD1-NZ 3.76Å; D1214-K1330 PolarHBondContact OD1-NZ 2.98Å; D1214-K1330 VanDerWaalsContact OD1-NZ 3.13Å |
| 1215 | F | 91 | Very high | 77.7 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -43.1 | 176.4 | -57.4 | -18 | 0 | 0 | 0 | 111.5 | V1100 L1119 F1152 I1176 L1184 L1211 T1212 T1217 V1218 I1219 W1333 | V1100-F1215 HydrophobicContact CG1-CE1 4.42Å; V1100-F1215 HydrophobicContact CG2-CE1 4.08Å; V1100-F1215 HydrophobicContact CG2-CZ 4.41Å; L1119-F1215 HydrophobicContact CD2-CD1 3.8Å; L1119-F1215 HydrophobicContact CD2-CE1 3.93Å; F1152-F1215 HydrophobicContact CE1-CB 4.33Å; F1152-F1215 HydrophobicContact CZ-CB 4.31Å; F1152-F1215 AromaticContact CZ-CD1 3.8Å; F1152-F1215 HydrophobicContact CZ-CD1 3.8Å; F1152-F1215 HydrophobicContact CZ-CE1 4.45Å; F1152-F1215 HydrophobicContact CZ-CG 4.25Å; I1176-F1215 HydrophobicContact CD1-CE2 4.15Å; I1176-F1215 HydrophobicContact CD1-CZ 3.95Å; I1176-F1215 HydrophobicContact CG2-CZ 3.97Å; L1184-F1215 HydrophobicContact CD1-CD1 4.17Å; L1184-F1215 HydrophobicContact CD1-CE1 3.79Å; L1184-F1215 HydrophobicContact CD1-CE2 4.16Å; L1184-F1215 HydrophobicContact CD1-CZ 3.77Å; L1211-F1215 HydrophobicContact CD1-CB 4.41Å; T1212-F1215 PolarHBondContact O-N 3.17Å; T1212-F1215 VanDerWaalsContact O-N 3.08Å; F1215-T1217 PolarHBondContact O-N 2.84Å; F1215-V1218 PolarHBondContact O-N 2.88Å; F1215-V1218 VanDerWaalsContact O-N 3.09Å; F1215-I1219 WeakPolarHBondContact O-CG1 3.33Å; F1215-I1219 PolarHBondContact O-N 3.47Å; F1215-W1333 HydrophobicContact CE1-CH2 4.16Å; F1215-W1333 AromaticContact CE2-CH2 3.91Å; F1215-W1333 HydrophobicContact CE2-CH2 3.91Å; F1215-W1333 HydrophobicContact CE2-CZ2 4.49Å; F1215-W1333 AromaticContact CZ-CH2 3.53Å; F1215-W1333 HydrophobicContact CZ-CH2 3.53Å; F1215-W1333 HydrophobicContact CZ-CZ2 4.39Å; F1215-W1333 HydrophobicContact CZ-CZ3 4.39Å |
| 1216 | I | 87 | Confident | 77.3 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.5 | -41.6 | 174.7 | -65.2 | 160.5 | 0 | 0 | 0 | 110.1 | L1211 T1212 V1218 I1219 A1220 P1224 F1252 Y1323 A1326 | L1211-I1216 HydrophobicContact CD2-CG1 4.5Å; L1211-I1216 HydrophobicContact CG-CD1 4.42Å; L1211-I1216 HydrophobicContact CG-CG1 4.22Å; T1212-I1216 WeakPolarHBondContact O-CG1 3.31Å; T1212-I1216 PolarHBondContact O-N 3.32Å; I1216-V1218 VanDerWaalsContact C-N 3.31Å; I1216-V1218 PolarHBondContact O-N 2.91Å; I1216-I1219 PolarHBondContact O-N 2.95Å; I1216-A1220 WeakPolarHBondContact O-CB 3.28Å; I1216-A1220 PolarHBondContact O-N 2.92Å; I1216-P1224 HydrophobicContact CG2-CB 4.36Å; I1216-F1252 HydrophobicContact CG1-CE2 3.99Å; I1216-F1252 HydrophobicContact CG2-CD2 4.33Å; I1216-Y1323 HydrophobicContact CD1-CD2 3.79Å; I1216-Y1323 HydrophobicContact CD1-CE2 3.53Å; I1216-Y1323 HydrophobicContact CG1-CE2 4.26Å; I1216-A1326 HydrophobicContact CD1-CB 4.27Å |
| 1217 | T | 89.4 | Confident | 76.7 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | K1213 D1214 F1215 R1221 G1222 P1224 | K1213-T1217 WeakPolarHBondContact O-CB 3.43Å; K1213-T1217 PolarHBondContact O-N 2.92Å; K1213-T1217 PolarHBondContact O-OG1 2.92Å; D1214-T1217 WeakPolarHBondContact O-CB 3.34Å; D1214-T1217 PolarHBondContact O-N 3.02Å; F1215-T1217 PolarHBondContact O-N 2.84Å; T1217-R1221 PolarHBondContact O-N 2.71Å; T1217-G1222 WeakPolarHBondContact O-CA 3.48Å; T1217-G1222 PolarHBondContact O-N 2.87Å; T1217-P1224 HydrophobicContact CG2-CG 4.35Å |
| 1218 | V | 92.6 | Very high | 75.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.4 | -50.6 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | L1119 L1123 I1149 F1152 D1214 F1215 I1216 A1220 R1221 | L1119-V1218 HydrophobicContact CB-CG2 4.31Å; L1119-V1218 HydrophobicContact CD2-CG2 4.04Å; L1119-V1218 HydrophobicContact CG-CG2 3.92Å; L1123-V1218 HydrophobicContact CD1-CG1 3.56Å; L1123-V1218 HydrophobicContact CD1-CG2 4.12Å; I1149-V1218 HydrophobicContact CD1-CG1 3.71Å; F1152-V1218 HydrophobicContact CB-CG1 4.2Å; F1152-V1218 HydrophobicContact CD1-CB 3.86Å; F1152-V1218 HydrophobicContact CD1-CG1 3.33Å; F1152-V1218 HydrophobicContact CD2-CG1 4.25Å; F1152-V1218 HydrophobicContact CE1-CB 3.66Å; F1152-V1218 HydrophobicContact CE1-CG1 3.68Å; F1152-V1218 HydrophobicContact CE1-CG2 4.22Å; F1152-V1218 HydrophobicContact CG-CG1 3.65Å; F1152-V1218 HydrophobicContact CZ-CB 4.17Å; F1152-V1218 HydrophobicContact CZ-CG1 4.27Å; F1152-V1218 HydrophobicContact CZ-CG2 4.21Å; D1214-V1218 PolarHBondContact O-N 2.95Å; F1215-V1218 PolarHBondContact O-N 2.88Å; F1215-V1218 VanDerWaalsContact O-N 3.09Å; I1216-V1218 VanDerWaalsContact C-N 3.31Å; I1216-V1218 PolarHBondContact O-N 2.91Å; V1218-A1220 PolarHBondContact O-N 3.39Å; V1218-R1221 PolarHBondContact O-N 2.84Å |
| 1219 | I | 91 | Very high | 75.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -40.6 | 179.4 | -66.4 | 161.5 | 0 | 0 | 0 | 110.6 | F1152 T1153 F1215 I1216 R1221 Y1251 F1252 F1255 | F1152-I1219 HydrophobicContact CD1-CG1 4.49Å; F1152-I1219 HydrophobicContact CE1-CG1 4.43Å; T1153-I1219 HydrophobicContact CG2-CG1 4.39Å; T1153-I1219 HydrophobicContact CG2-CG2 4.36Å; F1215-I1219 WeakPolarHBondContact O-CG1 3.33Å; F1215-I1219 PolarHBondContact O-N 3.47Å; I1216-I1219 PolarHBondContact O-N 2.95Å; I1219-R1221 PolarHBondContact O-N 2.88Å; I1219-Y1251 WeakPolarHBondContact O-CB 3.32Å; I1219-F1252 HydrophobicContact CG2-CD2 4.45Å; I1219-F1255 HydrophobicContact CD1-CD1 4.09Å; I1219-F1255 HydrophobicContact CD1-CD2 3.76Å; I1219-F1255 HydrophobicContact CD1-CE1 4.02Å; I1219-F1255 HydrophobicContact CD1-CE2 3.66Å; I1219-F1255 HydrophobicContact CD1-CG 3.95Å; I1219-F1255 HydrophobicContact CD1-CZ 3.81Å; I1219-F1255 HydrophobicContact CG1-CD2 4.35Å; I1219-F1255 HydrophobicContact CG2-CB 3.79Å; I1219-F1255 HydrophobicContact CG2-CD2 4.48Å; I1219-F1255 HydrophobicContact CG2-CG 4.12Å |
| 1220 | A | 89.2 | Confident | 73.5 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 6.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1216 V1218 G1222 N1223 N1249 | I1216-A1220 WeakPolarHBondContact O-CB 3.28Å; I1216-A1220 PolarHBondContact O-N 2.92Å; V1218-A1220 PolarHBondContact O-N 3.39Å; A1220-G1222 PolarHBondContact O-N 2.88Å; A1220-N1223 WeakPolarHBondContact CB-O 3.3Å; A1220-N1223 PolarHBondContact O-N 2.81Å; A1220-N1223 VanDerWaalsContact O-N 3.13Å; A1220-N1249 WeakPolarHBondContact CB-ND2 3.49Å |
| 1221 | R | 88.5 | Confident | 71.6 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 41.2 | -177.3 | -64.6 | 173.3 | 173.8 | 68.3 | -5.9 | 112.9 | Y1120 Y1145 E1146 I1149 T1217 V1218 I1219 Y1251 | Y1120-R1221 PolarHBondContact OH-O 3.46Å; Y1120-R1221 VanDerWaalsContact OH-O 3.1Å; Y1145-R1221 WeakPolarHBondContact OH-CB 3.34Å; E1146-R1221 IonicContact OE1-NE 3.8Å; E1146-R1221 PolarHBondContact OE1-NE 3.49Å; E1146-R1221 VanDerWaalsContact OE1-NE 3.16Å; E1146-R1221 IonicContact OE2-CZ 3.06Å; E1146-R1221 IonicContact OE2-NE 3.38Å; E1146-R1221 PolarHBondContact OE2-NE 3.36Å; E1146-R1221 VanDerWaalsContact OE2-NE 3.17Å; E1146-R1221 IonicContact OE2-NH2 3.6Å; E1146-R1221 PolarHBondContact OE2-NH2 2.8Å; I1149-R1221 HydrophobicContact CG2-CG 4.23Å; T1217-R1221 PolarHBondContact O-N 2.71Å; V1218-R1221 PolarHBondContact O-N 2.84Å; I1219-R1221 PolarHBondContact O-N 2.88Å; R1221-Y1251 HydrophobicContact CG-CE2 4.46Å; R1221-Y1251 VanDerWaalsContact CZ-CE1 3.41Å |
| 1222 | G | 85 | Confident | 69.3 | Low | 31 Ų | 31 | 48 Ų | 48 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 1.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | T1217 A1220 P1224 | T1217-G1222 WeakPolarHBondContact O-CA 3.48Å; T1217-G1222 PolarHBondContact O-N 2.87Å; A1220-G1222 PolarHBondContact O-N 2.88Å; G1222-P1224 VanDerWaalsContact C-CD 3.48Å; G1222-P1224 VanDerWaalsContact O-CD 3.25Å; G1222-P1224 WeakPolarHBondContact O-CD 3.35Å |
| 1223 | N | 80.9 | Confident | 66.8 | Low | 94 Ų | 94 | 56.2 Ų | 56.2 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | trans | -117.1 | 72.4 | -179.5 | -166 | -2.1 | 0 | 0 | 0 | 113.1 | A1220 D1225 N1249 | A1220-N1223 WeakPolarHBondContact CB-O 3.3Å; A1220-N1223 PolarHBondContact O-N 2.81Å; A1220-N1223 VanDerWaalsContact O-N 3.13Å; N1223-D1225 VanDerWaalsContact C-N 3.32Å; N1223-D1225 PolarHBondContact O-N 2.88Å; N1223-N1249 PolarHBondContact O-ND2 3.23Å | ||
| 1224 | P | 66.9 | Low | 64.3 | Low | 22 Ų | 22 | 58.9 Ų | 58.9 | 14% | 0.143 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -70.2 | -25.3 | -173.2 | 28.8 | -34.7 | 0 | 0 | 0 | 113.7 | I1216 T1217 G1222 A1226 | I1216-P1224 HydrophobicContact CG2-CB 4.36Å; T1217-P1224 HydrophobicContact CG2-CG 4.35Å; G1222-P1224 VanDerWaalsContact C-CD 3.48Å; G1222-P1224 VanDerWaalsContact O-CD 3.25Å; G1222-P1224 WeakPolarHBondContact O-CD 3.35Å; P1224-A1226 VanDerWaalsContact C-N 3.32Å; P1224-A1226 PolarHBondContact O-N 2.82Å |
| 1225 | D | 61.9 | Low | 61.6 | Low | 110 Ų | 110 | 65 Ų | 65 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -83.9 | -6.7 | -172.8 | -59.3 | -34.6 | 0 | 0 | 0 | 113.1 | K1213 N1223 G1227 | K1213-D1225 IonicContact NZ-OD1 2.7Å; K1213-D1225 PolarHBondContact NZ-OD1 3.5Å; N1223-D1225 VanDerWaalsContact C-N 3.32Å; N1223-D1225 PolarHBondContact O-N 2.88Å; D1225-G1227 PolarHBondContact O-N 2.91Å; D1225-G1227 VanDerWaalsContact O-N 3.13Å |
| 1226 | A | 50.5 | Low | 58.7 | Low | 44 Ų | 44 | 70.2 Ų | 70.2 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -67.6 | -3.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1224 N1249 | P1224-A1226 VanDerWaalsContact C-N 3.32Å; P1224-A1226 PolarHBondContact O-N 2.82Å; A1226-N1249 HydrophobicContact CB-CB 4.1Å; A1226-N1249 PolarHBondContact O-N 2.78Å |
| 1227 | G | 43.5 | Very low | 56.1 | Low | 16 Ų | 16 | 74.9 Ų | 74.9 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -114 | -3.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1225 I1229 Y1323 | D1225-G1227 PolarHBondContact O-N 2.91Å; D1225-G1227 VanDerWaalsContact O-N 3.13Å; G1227-I1229 PolarHBondContact O-N 2.93Å; G1227-Y1323 PolarHBondContact O-OH 3.31Å |
| 1228 | A | 44.4 | Very low | 53.3 | Low | 63 Ų | 63 | 80.6 Ų | 80.6 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | trans | -71.3 | 105.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T1230 | A1228-T1230 VanDerWaalsContact C-N 3.25Å; A1228-T1230 PolarHBondContact O-N 2.97Å | ||
| 1229 | I | 43.8 | Very low | 50.3 | Low | 154 Ų | 154 | 87 Ų | 87 | 79% | 0.79 | 54% | 0.538 | S | S | * | . | trans | -60.2 | 97.1 | 160.4 | -62.3 | 173 | 0 | 0 | 0 | 105.6 | G1227 T1231 | G1227-I1229 PolarHBondContact O-N 2.93Å; I1229-T1231 VanDerWaalsContact C-N 3.33Å; I1229-T1231 HydrophobicContact CG2-CG2 4.26Å; I1229-T1231 PolarHBondContact O-N 3.09Å | ||
| 1230 | T | 35.7 | Very low | 47.2 | Very low | 112 Ų | 112 | 95.3 Ų | 95.3 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | trans | -69.9 | 95 | 173.3 | 43.1 | 0 | 0 | 0 | 0 | 108.1 | A1228 T1232 | A1228-T1230 VanDerWaalsContact C-N 3.25Å; A1228-T1230 PolarHBondContact O-N 2.97Å; T1230-T1232 PolarHBondContact O-N 3.42Å | ||
| 1231 | T | 32.7 | Very low | 44.2 | Very low | 127 Ų | 127 | 102 Ų | 102 | 78% | 0.779 | 61% | 0.611 | S | S | * | * | trans | -71.6 | 62.8 | 163.7 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | I1229 | I1229-T1231 VanDerWaalsContact C-N 3.33Å; I1229-T1231 HydrophobicContact CG2-CG2 4.26Å; I1229-T1231 PolarHBondContact O-N 3.09Å | ||
| 1232 | T | 30.9 | Very low | 41.3 | Very low | 103 Ų | 103 | 105.6 Ų | 105.6 | 63% | 0.632 | 64% | 0.64 | S | S | * | * | trans | -145.5 | 100.7 | 163.8 | 53 | 0 | 0 | 0 | 0 | 108.9 | T1230 T1234 | T1230-T1232 PolarHBondContact O-N 3.42Å; T1232-T1234 PolarHBondContact O-N 3.43Å | ||
| 1233 | N | 30.9 | Very low | 38.9 | Very low | 172 Ų | 172 | 112.8 Ų | 112.8 | 92% | 0.92 | 67% | 0.669 | S | S | * | * | trans | -63.7 | 99.5 | 163.6 | -75.4 | -28 | 0 | 0 | 0 | 109.1 | ||||
| 1234 | T | 27.9 | Very low | 36.4 | Very low | 112 Ų | 112 | 111.4 Ų | 111.4 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | trans | -137.5 | 114.1 | 154.1 | 38 | 0 | 0 | 0 | 0 | 109 | T1232 S1236 | T1232-T1234 PolarHBondContact O-N 3.43Å; T1234-S1236 PolarHBondContact O-N 3.12Å | ||
| 1235 | P | 30.8 | Very low | 34.5 | Very low | 129 Ų | 129 | 113.6 Ų | 113.6 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | -79.4 | 114.7 | 172.5 | 30 | -27.5 | 0 | 0 | 0 | 108.1 | ||||
| 1236 | S | 30.3 | Very low | 33.3 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -145.6 | 93.5 | 169.2 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | T1234 | T1234-S1236 PolarHBondContact O-N 3.12Š| ||
| 1237 | S | 30.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | 38.3 | 111.3 | 135.2 | -169.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1238 | V | 30.6 | Very low | 33 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | 45.9 | 102.8 | 129.6 | -168.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1239 | T | 29.5 | Very low | 34 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | -165.5 | 125 | 125.2 | 41.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1240 | H | 27.3 | Very low | 35.9 | Very low | 175 Ų | 175 | 120.3 Ų | 120.3 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | 13.8 | 135 | 156.8 | -82.3 | -85.2 | 0 | 0 | 0 | 123.1 | ||||
| 1241 | N | 26.4 | Very low | 38.4 | Very low | 144 Ų | 144 | 118.8 Ų | 118.8 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | trans | 75.8 | 91 | 157.8 | -66.4 | -5.1 | 0 | 0 | 0 | 117.9 | ||||
| 1242 | T | 27.2 | Very low | 40.9 | Very low | 132 Ų | 132 | 113.8 Ų | 113.8 | 81% | 0.81 | 67% | 0.668 | S | S | * | * | -179.4 | 127 | 111 | -60.4 | 0 | 0 | 0 | 0 | 107.6 | G1244 | T1242-G1244 VanDerWaalsContact C-N 3.29Å; T1242-G1244 PolarHBondContact O-N 2.81Å | |||
| 1243 | I | 34.3 | Very low | 43.5 | Very low | 183 Ų | 183 | 114 Ų | 114 | 94% | 0.938 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -66.5 | 91.9 | 169.1 | -61.9 | 170.5 | 0 | 0 | 0 | 106.6 | ||
| 1244 | G | 28.8 | Very low | 46.3 | Very low | 65 Ų | 65 | 110.6 Ų | 110.6 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | trans | -157.9 | 0.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | T1242 | T1242-G1244 VanDerWaalsContact C-N 3.29Å; T1242-G1244 PolarHBondContact O-N 2.81Å | ||
| 1245 | G | 26.6 | Very low | 49.4 | Very low | 67 Ų | 67 | 105.2 Ų | 105.2 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | trans | -105.6 | 107.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1246 | I | 35.9 | Very low | 52.2 | Low | 154 Ų | 154 | 99.8 Ų | 99.8 | 79% | 0.79 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 177.6 | -21.5 | 151.6 | -90 | 152.8 | 0 | 0 | 0 | 110.3 | ||
| 1247 | Y | 35.9 | Very low | 55.2 | Low | 197 Ų | 197 | 97.9 Ų | 97.9 | 77% | 0.773 | 55% | 0.553 | S | S | * | * | trans | -99.5 | 113.7 | 174.5 | -58.5 | -76.3 | 0 | 0 | 0 | 109.9 | ||||
| 1248 | G | 51.9 | Low | 58.3 | Low | 56 Ų | 56 | 94 Ų | 94 | 58% | 0.577 | 52% | 0.523 | S | S | * | . | trans | -49.8 | 147.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1250 | G1248-M1250 PolarHBondContact O-N 3.18Š| ||
| 1249 | N | 67 | Low | 61.3 | Low | 15 Ų | 15 | 88.1 Ų | 88.1 | 8% | 0.08 | 49% | 0.488 | C | S | . | . | trans | -45 | 101.9 | -173.2 | -171.8 | -30.3 | 0 | 0 | 0 | 112.5 | A1220 N1223 A1226 Y1251 F1252 Q1253 | A1220-N1249 WeakPolarHBondContact CB-ND2 3.49Å; N1223-N1249 PolarHBondContact O-ND2 3.23Å; A1226-N1249 HydrophobicContact CB-CB 4.1Å; A1226-N1249 PolarHBondContact O-N 2.78Å; N1249-Y1251 PolarHBondContact O-N 3.44Å; N1249-Y1251 VanDerWaalsContact O-N 3.16Å; N1249-Y1251 WeakPolarHBondContact OD1-CB 3.48Å; N1249-Y1251 PolarHBondContact OD1-N 2.92Å; N1249-F1252 HydrophobicContact CB-CB 4.06Å; N1249-F1252 WeakPolarHBondContact O-CB 3.39Å; N1249-F1252 PolarHBondContact O-N 3.39Å; N1249-F1252 PolarHBondContact OD1-N 3.42Å; N1249-Q1253 PolarHBondContact O-N 2.73Å; N1249-Q1253 VanDerWaalsContact O-N 3.07Å | ||
| 1250 | M | 83.5 | Confident | 64.4 | Low | 106 Ų | 106 | 81.9 Ų | 81.9 | 52% | 0.522 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.3 | -37.2 | -172.8 | -173.9 | -178.6 | 77 | 0 | 0 | 111.5 | G1248 F1252 Q1253 E1254 | G1248-M1250 PolarHBondContact O-N 3.18Å; M1250-F1252 VanDerWaalsContact C-N 3.35Å; M1250-F1252 PolarHBondContact O-N 2.92Å; M1250-Q1253 PolarHBondContact O-N 3.36Å; M1250-E1254 WeakPolarHBondContact O-CG 3.49Å; M1250-E1254 PolarHBondContact O-N 3.4Å |
| 1251 | Y | 87.9 | Confident | 67.8 | Low | 81 Ų | 81 | 79.5 Ų | 79.5 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.9 | -32.7 | 178.5 | -55.7 | -59.1 | 0 | 0 | 0 | 113.1 | I1219 R1221 N1249 F1255 | I1219-Y1251 WeakPolarHBondContact O-CB 3.32Å; R1221-Y1251 HydrophobicContact CG-CE2 4.46Å; R1221-Y1251 VanDerWaalsContact CZ-CE1 3.41Å; N1249-Y1251 PolarHBondContact O-N 3.44Å; N1249-Y1251 VanDerWaalsContact O-N 3.16Å; N1249-Y1251 WeakPolarHBondContact OD1-CB 3.48Å; N1249-Y1251 PolarHBondContact OD1-N 2.92Å; Y1251-F1255 WeakPolarHBondContact O-CB 3.29Å; Y1251-F1255 PolarHBondContact O-N 3.14Å |
| 1252 | F | 84 | Confident | 71.1 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 10% | 0.096 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74 | -34.8 | 174.6 | -169.3 | -102.2 | 0 | 0 | 0 | 111.7 | L1211 I1216 I1219 N1249 M1250 F1255 T1256 F1319 Y1323 | L1211-F1252 HydrophobicContact CD2-CE2 4.11Å; L1211-F1252 HydrophobicContact CD2-CZ 4.05Å; I1216-F1252 HydrophobicContact CG1-CE2 3.99Å; I1216-F1252 HydrophobicContact CG2-CD2 4.33Å; I1219-F1252 HydrophobicContact CG2-CD2 4.45Å; N1249-F1252 HydrophobicContact CB-CB 4.06Å; N1249-F1252 WeakPolarHBondContact O-CB 3.39Å; N1249-F1252 PolarHBondContact O-N 3.39Å; N1249-F1252 PolarHBondContact OD1-N 3.42Å; M1250-F1252 VanDerWaalsContact C-N 3.35Å; M1250-F1252 PolarHBondContact O-N 2.92Å; F1252-F1255 HydrophobicContact CD2-CD1 4.27Å; F1252-F1255 AromaticContact CE2-CD1 3.94Å; F1252-F1255 HydrophobicContact CE2-CD1 3.94Å; F1252-F1255 HydrophobicContact CE2-CE1 4.36Å; F1252-F1255 WeakPolarHBondContact O-CB 3.39Å; F1252-F1255 PolarHBondContact O-N 3.12Å; F1252-T1256 PolarHBondContact O-N 2.73Å; F1252-T1256 PolarHBondContact O-OG1 3.44Å; F1252-F1319 HydrophobicContact CE1-CE1 4.42Å; F1252-F1319 HydrophobicContact CZ-CE1 4.04Å; F1252-F1319 HydrophobicContact CZ-CZ 4.27Å; F1252-Y1323 HydrophobicContact CD1-CE2 4.38Å; F1252-Y1323 AromaticContact CE1-CD2 3.76Å; F1252-Y1323 HydrophobicContact CE1-CD2 3.76Å; F1252-Y1323 AromaticContact CE1-CE2 3.58Å; F1252-Y1323 HydrophobicContact CE1-CE2 3.58Å; F1252-Y1323 HydrophobicContact CE1-CG 4.38Å; F1252-Y1323 HydrophobicContact CE2-CD2 4.1Å; F1252-Y1323 AromaticContact CE2-CE2 3.96Å; F1252-Y1323 HydrophobicContact CE2-CE2 3.96Å; F1252-Y1323 AromaticContact CZ-CD2 3.27Å; F1252-Y1323 HydrophobicContact CZ-CD2 3.27Å; F1252-Y1323 AromaticContact CZ-CE2 3.34Å; F1252-Y1323 HydrophobicContact CZ-CE2 3.34Å; F1252-Y1323 HydrophobicContact CZ-CG 4.15Å |
| 1253 | Q | 85.3 | Confident | 74.5 | Confident | 106 Ų | 106 | 66.4 Ų | 66.4 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 171.3 | -172.4 | 61.9 | 42.6 | 0 | 0 | 110.9 | N1249 M1250 F1255 T1256 D1257 | N1249-Q1253 PolarHBondContact O-N 2.73Å; N1249-Q1253 VanDerWaalsContact O-N 3.07Å; M1250-Q1253 PolarHBondContact O-N 3.36Å; Q1253-F1255 VanDerWaalsContact C-N 3.28Å; Q1253-F1255 PolarHBondContact O-N 3.25Å; Q1253-T1256 WeakPolarHBondContact O-CB 3.43Å; Q1253-T1256 PolarHBondContact O-N 2.83Å; Q1253-T1256 VanDerWaalsContact O-N 3.08Å; Q1253-D1257 PolarHBondContact NE2-OD1 2.64Å; Q1253-D1257 PolarHBondContact O-N 2.68Å |
| 1254 | E | 91.2 | Very high | 77.5 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.7 | -41.1 | 174.3 | -75.6 | 174.6 | -176.2 | 0 | 0 | 112.2 | M1250 D1257 L1258 | M1250-E1254 WeakPolarHBondContact O-CG 3.49Å; M1250-E1254 PolarHBondContact O-N 3.4Å; E1254-D1257 PolarHBondContact O-N 3.24Å; E1254-L1258 VanDerWaalsContact O-CB 3.28Å; E1254-L1258 WeakPolarHBondContact O-CB 3.48Å; E1254-L1258 PolarHBondContact O-N 2.81Å |
| 1255 | F | 92 | Very high | 80.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 174.7 | 173.1 | -102.5 | 0 | 0 | 0 | 112.7 | T1153 C1156 A1157 L1211 I1219 Y1251 F1252 Q1253 L1258 C1259 F1319 | T1153-F1255 HydrophobicContact CG2-CB 4.36Å; T1153-F1255 HydrophobicContact CG2-CD2 3.76Å; C1156-F1255 HydrophobicContact CB-CE2 4.23Å; A1157-F1255 HydrophobicContact CB-CD2 4.04Å; A1157-F1255 HydrophobicContact CB-CE2 3.63Å; A1157-F1255 HydrophobicContact CB-CZ 4.44Å; L1211-F1255 HydrophobicContact CD1-CE1 3.92Å; L1211-F1255 HydrophobicContact CD1-CZ 4.02Å; L1211-F1255 HydrophobicContact CD2-CE1 4.19Å; I1219-F1255 HydrophobicContact CD1-CD1 4.09Å; I1219-F1255 HydrophobicContact CD1-CD2 3.76Å; I1219-F1255 HydrophobicContact CD1-CE1 4.02Å; I1219-F1255 HydrophobicContact CD1-CE2 3.66Å; I1219-F1255 HydrophobicContact CD1-CG 3.95Å; I1219-F1255 HydrophobicContact CD1-CZ 3.81Å; I1219-F1255 HydrophobicContact CG1-CD2 4.35Å; I1219-F1255 HydrophobicContact CG2-CB 3.79Å; I1219-F1255 HydrophobicContact CG2-CD2 4.48Å; I1219-F1255 HydrophobicContact CG2-CG 4.12Å; Y1251-F1255 WeakPolarHBondContact O-CB 3.29Å; Y1251-F1255 PolarHBondContact O-N 3.14Å; F1252-F1255 HydrophobicContact CD2-CD1 4.27Å; F1252-F1255 AromaticContact CE2-CD1 3.94Å; F1252-F1255 HydrophobicContact CE2-CD1 3.94Å; F1252-F1255 HydrophobicContact CE2-CE1 4.36Å; F1252-F1255 WeakPolarHBondContact O-CB 3.39Å; F1252-F1255 PolarHBondContact O-N 3.12Å; Q1253-F1255 VanDerWaalsContact C-N 3.28Å; Q1253-F1255 PolarHBondContact O-N 3.25Å; F1255-L1258 WeakPolarHBondContact O-CB 3.37Å; F1255-L1258 PolarHBondContact O-N 3.34Å; F1255-C1259 PolarHBondContact O-N 3.29Å; F1255-C1259 PolarHBondContact O-SG 2.8Å; F1255-F1319 AromaticContact CD1-CZ 3.94Å; F1255-F1319 HydrophobicContact CD1-CZ 3.94Å; F1255-F1319 AromaticContact CE1-CE2 3.98Å; F1255-F1319 HydrophobicContact CE1-CE2 3.98Å; F1255-F1319 AromaticContact CE1-CZ 3.66Å; F1255-F1319 HydrophobicContact CE1-CZ 3.66Å |
| 1256 | T | 90.9 | Very high | 84.1 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | F1252 Q1253 L1258 C1259 G1260 F1319 | F1252-T1256 PolarHBondContact O-N 2.73Å; F1252-T1256 PolarHBondContact O-OG1 3.44Å; Q1253-T1256 WeakPolarHBondContact O-CB 3.43Å; Q1253-T1256 PolarHBondContact O-N 2.83Å; Q1253-T1256 VanDerWaalsContact O-N 3.08Å; T1256-L1258 VanDerWaalsContact C-N 3.3Å; T1256-L1258 PolarHBondContact O-N 2.7Å; T1256-C1259 WeakPolarHBondContact O-CB 3.39Å; T1256-C1259 PolarHBondContact O-N 3.33Å; T1256-G1260 PolarHBondContact O-N 3.35Å; T1256-F1319 HydrophobicContact CG2-CD1 4.1Å; T1256-F1319 HydrophobicContact CG2-CE1 3.9Å; T1256-F1319 HydrophobicContact CG2-CZ 4.4Å |
| 1257 | D | 91.8 | Very high | 86.9 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 177 | -65.7 | -9 | 0 | 0 | 0 | 111.6 | Q1253 E1254 G1260 K1261 | Q1253-D1257 PolarHBondContact NE2-OD1 2.64Å; Q1253-D1257 PolarHBondContact O-N 2.68Å; E1254-D1257 PolarHBondContact O-N 3.24Å; D1257-G1260 PolarHBondContact O-N 2.99Å; D1257-K1261 WeakPolarHBondContact O-CG 3.33Å; D1257-K1261 PolarHBondContact O-N 3.4Å |
| 1258 | L | 95.5 | Very high | 89.7 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.1 | 175.9 | 65.2 | 0 | 0 | 0 | 111.4 | M1072 M1074 M1154 A1157 E1254 F1255 T1256 G1260 K1261 A1262 | M1072-L1258 HydrophobicContact CE-CD1 4.45Å; M1072-L1258 HydrophobicContact SD-CD1 3.87Å; M1074-L1258 HydrophobicContact CE-CD1 4.38Å; M1074-L1258 HydrophobicContact CE-CD2 4.46Å; M1074-L1258 HydrophobicContact CE-CG 4.23Å; M1074-L1258 HydrophobicContact SD-CD1 4.02Å; M1074-L1258 HydrophobicContact SD-CG 4.48Å; M1154-L1258 HydrophobicContact CE-CD1 4Å; M1154-L1258 HydrophobicContact CE-CD2 4.29Å; M1154-L1258 HydrophobicContact SD-CD1 4.14Å; M1154-L1258 HydrophobicContact SD-CD2 3.52Å; M1154-L1258 VanDerWaalsContact SD-CD2 3.52Å; M1154-L1258 HydrophobicContact SD-CG 4.49Å; A1157-L1258 HydrophobicContact CB-CD2 3.61Å; A1157-L1258 HydrophobicContact CB-CG 3.94Å; E1254-L1258 VanDerWaalsContact O-CB 3.28Å; E1254-L1258 WeakPolarHBondContact O-CB 3.48Å; E1254-L1258 PolarHBondContact O-N 2.81Å; F1255-L1258 WeakPolarHBondContact O-CB 3.37Å; F1255-L1258 PolarHBondContact O-N 3.34Å; T1256-L1258 VanDerWaalsContact C-N 3.3Å; T1256-L1258 PolarHBondContact O-N 2.7Å; L1258-G1260 VanDerWaalsContact C-N 3.34Å; L1258-G1260 PolarHBondContact O-N 3.23Å; L1258-K1261 PolarHBondContact O-N 2.6Å; L1258-A1262 WeakPolarHBondContact O-CB 3.27Å; L1258-A1262 PolarHBondContact O-N 3.05Å |
| 1259 | C | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | A1157 V1161 F1255 T1256 K1261 A1262 Y1263 F1315 F1319 | A1157-C1259 VanDerWaalsContact CB-SG 3.6Å; V1161-C1259 HydrophobicContact CG2-CB 4.05Å; V1161-C1259 WeakPolarHBondContact CG2-O 3.46Å; F1255-C1259 PolarHBondContact O-N 3.29Å; F1255-C1259 PolarHBondContact O-SG 2.8Å; T1256-C1259 WeakPolarHBondContact O-CB 3.39Å; T1256-C1259 PolarHBondContact O-N 3.33Å; C1259-K1261 PolarHBondContact O-N 3.45Å; C1259-A1262 PolarHBondContact O-N 3.48Å; C1259-Y1263 WeakPolarHBondContact O-CB 3.17Å; C1259-Y1263 PolarHBondContact O-N 2.97Å; C1259-F1315 HydrophobicContact CB-CE1 3.98Å; C1259-F1315 HydrophobicContact CB-CZ 3.97Å; C1259-F1319 HydrophobicContact CB-CD2 4.41Å; C1259-F1319 HydrophobicContact CB-CE2 4.07Å |
| 1260 | G | 95 | Very high | 93 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1256 D1257 L1258 Y1263 L1264 | T1256-G1260 PolarHBondContact O-N 3.35Å; D1257-G1260 PolarHBondContact O-N 2.99Å; L1258-G1260 VanDerWaalsContact C-N 3.34Å; L1258-G1260 PolarHBondContact O-N 3.23Å; G1260-Y1263 PolarHBondContact O-N 2.82Å; G1260-L1264 WeakPolarHBondContact O-CG 3.5Å; G1260-L1264 PolarHBondContact O-N 2.83Å |
| 1261 | K | 96.9 | Very high | 93.3 | Very high | 126 Ų | 126 | 41.9 Ų | 41.9 | 55% | 0.548 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64 | -46.5 | 176 | -68.8 | 171.7 | -175.5 | 172.7 | 0 | 112 | M1072 D1257 L1258 C1259 Y1263 L1264 L1265 | M1072-K1261 HydrophobicContact CE-CB 3.83Å; D1257-K1261 WeakPolarHBondContact O-CG 3.33Å; D1257-K1261 PolarHBondContact O-N 3.4Å; L1258-K1261 PolarHBondContact O-N 2.6Å; C1259-K1261 PolarHBondContact O-N 3.45Å; K1261-Y1263 VanDerWaalsContact C-N 3.3Å; K1261-Y1263 PolarHBondContact O-N 2.75Å; K1261-L1264 PolarHBondContact O-N 3.19Å; K1261-L1265 WeakPolarHBondContact O-CG 3.49Å; K1261-L1265 PolarHBondContact O-N 3.1Å |
| 1262 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1067 M1072 M1074 V1161 L1258 C1259 L1265 L1266 | W1067-A1262 HydrophobicContact CZ2-CB 4.1Å; W1067-A1262 PolarHBondContact NE1-O 3.4Å; M1072-A1262 HydrophobicContact SD-CB 4.19Å; M1074-A1262 HydrophobicContact CE-CB 3.79Å; M1074-A1262 HydrophobicContact SD-CB 4.32Å; V1161-A1262 HydrophobicContact CG2-CB 4.2Å; L1258-A1262 WeakPolarHBondContact O-CB 3.27Å; L1258-A1262 PolarHBondContact O-N 3.05Å; C1259-A1262 PolarHBondContact O-N 3.48Å; A1262-L1265 PolarHBondContact O-N 2.85Å; A1262-L1266 PolarHBondContact O-N 2.58Å |
| 1263 | Y | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 173.9 | 170.7 | -101.8 | 0 | 0 | 0 | 112.1 | F1164 I1165 C1259 G1260 K1261 L1265 L1266 R1267 T1300 L1301 F1315 | F1164-Y1263 HydrophobicContact CE1-CD2 4.49Å; F1164-Y1263 HydrophobicContact CE1-CE2 4.12Å; I1165-Y1263 HydrophobicContact CD1-CD2 4.24Å; I1165-Y1263 HydrophobicContact CG1-CD2 4.46Å; C1259-Y1263 WeakPolarHBondContact O-CB 3.17Å; C1259-Y1263 PolarHBondContact O-N 2.97Å; G1260-Y1263 PolarHBondContact O-N 2.82Å; K1261-Y1263 VanDerWaalsContact C-N 3.3Å; K1261-Y1263 PolarHBondContact O-N 2.75Å; Y1263-L1265 VanDerWaalsContact C-N 3.31Å; Y1263-L1265 PolarHBondContact O-N 3.05Å; Y1263-L1266 PolarHBondContact O-N 2.9Å; Y1263-R1267 WeakPolarHBondContact O-CB 3.09Å; Y1263-R1267 PolarHBondContact O-N 3.42Å; Y1263-T1300 VanDerWaalsContact CE2-O 3.24Å; Y1263-T1300 WeakPolarHBondContact CE2-O 3.37Å; Y1263-T1300 PolarHBondContact OH-O 3.35Å; Y1263-L1301 PolarHBondContact OH-O 2.94Å; Y1263-F1315 HydrophobicContact CD1-CB 3.71Å; Y1263-F1315 HydrophobicContact CD1-CD1 4.29Å; Y1263-F1315 HydrophobicContact CD1-CD2 4.31Å; Y1263-F1315 AromaticContact CD1-CG 3.84Å; Y1263-F1315 HydrophobicContact CD1-CG 3.84Å; Y1263-F1315 HydrophobicContact CD2-CB 4.38Å; Y1263-F1315 AromaticContact CD2-CD2 3.66Å; Y1263-F1315 HydrophobicContact CD2-CD2 3.66Å; Y1263-F1315 HydrophobicContact CD2-CE2 4.19Å; Y1263-F1315 HydrophobicContact CD2-CG 4.05Å; Y1263-F1315 HydrophobicContact CE1-CB 3.67Å; Y1263-F1315 HydrophobicContact CE1-CG 4.26Å; Y1263-F1315 HydrophobicContact CE2-CB 4.35Å; Y1263-F1315 HydrophobicContact CE2-CD2 4.1Å; Y1263-F1315 HydrophobicContact CE2-CG 4.45Å; Y1263-F1315 HydrophobicContact CG-CB 4.07Å; Y1263-F1315 HydrophobicContact CG-CD1 4.19Å; Y1263-F1315 AromaticContact CG-CD2 3.77Å; Y1263-F1315 HydrophobicContact CG-CD2 3.77Å; Y1263-F1315 HydrophobicContact CG-CE2 4.29Å; Y1263-F1315 AromaticContact CG-CG 3.72Å; Y1263-F1315 HydrophobicContact CG-CG 3.72Å |
| 1264 | L | 97.2 | Very high | 94.4 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 12% | 0.115 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | -179.7 | -72 | -179 | 0 | 0 | 0 | 112.7 | G1260 K1261 R1267 K1268 E1308 L1312 | G1260-L1264 WeakPolarHBondContact O-CG 3.5Å; G1260-L1264 PolarHBondContact O-N 2.83Å; K1261-L1264 PolarHBondContact O-N 3.19Å; L1264-R1267 PolarHBondContact O-N 2.77Å; L1264-K1268 WeakPolarHBondContact O-CG 3.4Å; L1264-K1268 PolarHBondContact O-N 3.01Å; L1264-K1268 VanDerWaalsContact O-N 3.11Å; L1264-E1308 HydrophobicContact CD1-CG 4.05Å; L1264-E1308 HydrophobicContact CD2-CG 3.47Å; L1264-E1308 VanDerWaalsContact CD2-CG 3.47Å; L1264-E1308 HydrophobicContact CG-CG 4.31Å; L1264-L1312 HydrophobicContact CD1-CB 4.49Å; L1264-L1312 HydrophobicContact CD1-CD1 4.24Å; L1264-L1312 HydrophobicContact CD1-CD2 4.17Å; L1264-L1312 HydrophobicContact CD2-CB 4.25Å; L1264-L1312 HydrophobicContact CG-CD1 4.19Å |
| 1265 | L | 97 | Very high | 94.5 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 174.6 | -68.7 | 179.2 | 0 | 0 | 0 | 111.2 | E1070 M1072 K1261 A1262 Y1263 R1267 K1268 H1269 | E1070-L1265 HydrophobicContact CB-CD1 3.76Å; E1070-L1265 HydrophobicContact CB-CD2 3.97Å; E1070-L1265 HydrophobicContact CB-CG 4.45Å; E1070-L1265 HydrophobicContact CG-CD1 4.37Å; E1070-L1265 HydrophobicContact CG-CD2 3.85Å; M1072-L1265 HydrophobicContact CE-CD1 3.94Å; M1072-L1265 HydrophobicContact SD-CD1 4.35Å; K1261-L1265 WeakPolarHBondContact O-CG 3.49Å; K1261-L1265 PolarHBondContact O-N 3.1Å; A1262-L1265 PolarHBondContact O-N 2.85Å; Y1263-L1265 VanDerWaalsContact C-N 3.31Å; Y1263-L1265 PolarHBondContact O-N 3.05Å; L1265-R1267 VanDerWaalsContact C-N 3.3Å; L1265-R1267 PolarHBondContact O-N 2.96Å; L1265-K1268 PolarHBondContact O-N 2.84Å; L1265-H1269 PolarHBondContact O-CD2 2.87Å |
| 1266 | L | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.3 | -36 | 176.3 | -65.5 | -172.8 | 0 | 0 | 0 | 112.7 | M1063 I1066 W1067 V1161 I1165 A1262 Y1263 K1268 H1269 S1270 I1273 | M1063-L1266 HydrophobicContact CB-CD1 4.24Å; M1063-L1266 HydrophobicContact CB-CD2 3.88Å; M1063-L1266 HydrophobicContact CE-CD1 4.1Å; M1063-L1266 HydrophobicContact CG-CD1 3.79Å; M1063-L1266 HydrophobicContact CG-CD2 3.77Å; M1063-L1266 HydrophobicContact CG-CG 4.45Å; M1063-L1266 HydrophobicContact SD-CD1 3.72Å; I1066-L1266 HydrophobicContact CB-CD2 4.33Å; I1066-L1266 HydrophobicContact CD1-CD2 4.28Å; I1066-L1266 HydrophobicContact CG2-CD2 4.17Å; W1067-L1266 HydrophobicContact CD2-CD2 4.5Å; W1067-L1266 HydrophobicContact CH2-CD1 4.13Å; W1067-L1266 HydrophobicContact CZ2-CD1 3.36Å; W1067-L1266 HydrophobicContact CZ2-CD2 4.12Å; W1067-L1266 HydrophobicContact CZ2-CG 3.71Å; V1161-L1266 HydrophobicContact CG1-CD1 4.08Å; I1165-L1266 HydrophobicContact CD1-CB 3.98Å; I1165-L1266 HydrophobicContact CD1-CD1 3.5Å; I1165-L1266 HydrophobicContact CD1-CG 4.38Å; A1262-L1266 PolarHBondContact O-N 2.58Å; Y1263-L1266 PolarHBondContact O-N 2.9Å; L1266-K1268 VanDerWaalsContact C-N 3.31Å; L1266-K1268 PolarHBondContact O-N 2.86Å; L1266-H1269 CarbonylContact O-C 3.59Å; L1266-H1269 WeakPolarHBondContact O-CA 3.32Å; L1266-H1269 PolarHBondContact O-N 2.83Å; L1266-S1270 PolarHBondContact O-N 2.72Å; L1266-I1273 HydrophobicContact CB-CD1 4.34Å |
| 1267 | R | 96 | Very high | 94.7 | Very high | 34 Ų | 34 | 27.8 Ų | 27.8 | 13% | 0.128 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.7 | -39.8 | 177.1 | -174.8 | 175.8 | -177.6 | -78.3 | -12.5 | 112.6 | Y1263 L1264 L1265 H1269 S1270 L1301 A1302 I1305 | Y1263-R1267 WeakPolarHBondContact O-CB 3.09Å; Y1263-R1267 PolarHBondContact O-N 3.42Å; L1264-R1267 PolarHBondContact O-N 2.77Å; L1265-R1267 VanDerWaalsContact C-N 3.3Å; L1265-R1267 PolarHBondContact O-N 2.96Å; R1267-H1269 PolarHBondContact O-N 3.04Å; R1267-S1270 WeakPolarHBondContact O-CB 3.36Å; R1267-S1270 PolarHBondContact O-N 2.88Å; R1267-S1270 VanDerWaalsContact O-N 3.08Å; R1267-S1270 PolarHBondContact O-OG 3.34Å; R1267-L1301 WeakPolarHBondContact CD-O 3.25Å; R1267-L1301 WeakPolarHBondContact CG-O 3.33Å; R1267-L1301 PolarHBondContact NE-O 3.06Å; R1267-A1302 PolarHBondContact NE-O 3.23Å; R1267-A1302 PolarHBondContact NH2-O 3.14Å; R1267-I1305 PolarHBondContact NH2-O 3.22Å |
| 1268 | K | 94.1 | Very high | 94.6 | Very high | 130 Ų | 130 | 24.4 Ų | 24.4 | 57% | 0.565 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -61 | -25.4 | 174.3 | -71.2 | 176 | -177.3 | -178.3 | 0 | 113 | L1264 L1265 L1266 E1308 | L1264-K1268 WeakPolarHBondContact O-CG 3.4Å; L1264-K1268 PolarHBondContact O-N 3.01Å; L1264-K1268 VanDerWaalsContact O-N 3.11Å; L1265-K1268 PolarHBondContact O-N 2.84Å; L1266-K1268 VanDerWaalsContact C-N 3.31Å; L1266-K1268 PolarHBondContact O-N 2.86Å; K1268-E1308 WeakPolarHBondContact CE-OE2 3.49Å; K1268-E1308 IonicContact NZ-OE2 3.55Å |
| 1269 | H | 93.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 23.3 Ų | 23.3 | 26% | 0.255 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 18.4 | 177.2 | -66.5 | -97.5 | 0 | 0 | 0 | 113.2 | I1066 L1265 L1266 R1267 N1271 L1272 I1273 | I1066-H1269 HydrophobicContact CD1-CB 3.8Å; L1265-H1269 PolarHBondContact O-CD2 2.87Å; L1266-H1269 CarbonylContact O-C 3.59Å; L1266-H1269 WeakPolarHBondContact O-CA 3.32Å; L1266-H1269 PolarHBondContact O-N 2.83Å; R1267-H1269 PolarHBondContact O-N 3.04Å; H1269-N1271 VanDerWaalsContact C-N 3.27Å; H1269-N1271 PolarHBondContact O-N 3.07Å; H1269-L1272 PolarHBondContact O-N 2.74Å; H1269-L1272 VanDerWaalsContact O-N 3.1Å; H1269-I1273 PolarHBondContact O-N 3.49Å |
| 1270 | S | 93.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 11% | 0.105 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.1 | -40.8 | -179.3 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | L1266 R1267 L1272 I1273 L1274 | L1266-S1270 PolarHBondContact O-N 2.72Å; R1267-S1270 WeakPolarHBondContact O-CB 3.36Å; R1267-S1270 PolarHBondContact O-N 2.88Å; R1267-S1270 VanDerWaalsContact O-N 3.08Å; R1267-S1270 PolarHBondContact O-OG 3.34Å; S1270-L1272 VanDerWaalsContact C-N 3.32Å; S1270-L1272 PolarHBondContact O-N 2.75Å; S1270-I1273 PolarHBondContact O-N 2.86Å; S1270-L1274 WeakPolarHBondContact O-CB 3.34Å; S1270-L1274 VanDerWaalsContact O-CG 3.31Å; S1270-L1274 WeakPolarHBondContact O-CG 3.18Å; S1270-L1274 PolarHBondContact O-N 2.98Å |
| 1271 | N | 91.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 24 Ų | 24 | 28% | 0.283 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -57.4 | -43 | 177.9 | -70.7 | 2.4 | 0 | 0 | 0 | 112.6 | P761 H1269 T1275 | P761-N1271 WeakPolarHBondContact CD-OD1 3.47Å; P761-N1271 HydrophobicContact CG-CB 4.02Å; H1269-N1271 VanDerWaalsContact C-N 3.27Å; H1269-N1271 PolarHBondContact O-N 3.07Å; N1271-T1275 VanDerWaalsContact O-CB 3.23Å; N1271-T1275 WeakPolarHBondContact O-CB 3.23Å; N1271-T1275 PolarHBondContact O-N 3Å; N1271-T1275 PolarHBondContact O-OG1 2.86Å |
| 1272 | L | 92.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 13% | 0.131 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.8 | -47.2 | 178.6 | 178.5 | 61.1 | 0 | 0 | 0 | 110.8 | L823 Y876 L1062 H1269 S1270 L1274 T1275 L1276 | L823-L1272 HydrophobicContact CD1-CD1 4.01Å; Y876-L1272 HydrophobicContact CE1-CD1 4.32Å; L1062-L1272 HydrophobicContact CD1-CD2 4.1Å; L1062-L1272 HydrophobicContact CD2-CD2 4.4Å; L1062-L1272 HydrophobicContact CD2-CG 4.47Å; H1269-L1272 PolarHBondContact O-N 2.74Å; H1269-L1272 VanDerWaalsContact O-N 3.1Å; S1270-L1272 VanDerWaalsContact C-N 3.32Å; S1270-L1272 PolarHBondContact O-N 2.75Å; L1272-L1274 PolarHBondContact O-N 2.89Å; L1272-T1275 PolarHBondContact O-N 2.91Å; L1272-L1276 HydrophobicContact CD1-CD1 3.95Å; L1272-L1276 HydrophobicContact CD1-CG 4.03Å; L1272-L1276 HydrophobicContact CG-CD1 3.99Å; L1272-L1276 HydrophobicContact CG-CG 4.45Å; L1272-L1276 VanDerWaalsContact O-CG 3.31Å; L1272-L1276 WeakPolarHBondContact O-CG 3.12Å; L1272-L1276 PolarHBondContact O-N 3.1Å |
| 1273 | I | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 179.6 | -66.3 | 166 | 0 | 0 | 0 | 110.6 | M1063 L1266 H1269 S1270 L1276 L1277 V1297 | M1063-I1273 HydrophobicContact CE-CD1 4.42Å; L1266-I1273 HydrophobicContact CB-CD1 4.34Å; H1269-I1273 PolarHBondContact O-N 3.49Å; S1270-I1273 PolarHBondContact O-N 2.86Å; I1273-L1276 PolarHBondContact O-N 3.41Å; I1273-L1277 HydrophobicContact CG2-CD1 4.06Å; I1273-L1277 WeakPolarHBondContact O-CB 3.22Å; I1273-L1277 WeakPolarHBondContact O-CG 3.35Å; I1273-L1277 PolarHBondContact O-N 3.15Å; I1273-V1297 HydrophobicContact CG2-CG1 4.19Å |
| 1274 | L | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 178.5 | -68.6 | 173.5 | 0 | 0 | 0 | 111.8 | D760 L762 S1270 L1272 L1277 A1278 V1297 R1298 V1303 | D760-L1274 HydrophobicContact CB-CD1 3.96Å; L762-L1274 HydrophobicContact CD1-CB 4.4Å; L762-L1274 HydrophobicContact CD1-CD2 4.05Å; S1270-L1274 WeakPolarHBondContact O-CB 3.34Å; S1270-L1274 VanDerWaalsContact O-CG 3.31Å; S1270-L1274 WeakPolarHBondContact O-CG 3.18Å; S1270-L1274 PolarHBondContact O-N 2.98Å; L1272-L1274 PolarHBondContact O-N 2.89Å; L1274-L1277 PolarHBondContact O-N 2.99Å; L1274-A1278 VanDerWaalsContact O-CB 3.26Å; L1274-A1278 WeakPolarHBondContact O-CB 3.45Å; L1274-A1278 PolarHBondContact O-N 2.9Å; L1274-V1297 HydrophobicContact CD2-CB 4.08Å; L1274-V1297 HydrophobicContact CD2-CG1 3.8Å; L1274-R1298 HydrophobicContact CD1-CG 3.96Å; L1274-R1298 HydrophobicContact CD2-CG 3.68Å; L1274-R1298 HydrophobicContact CG-CG 4.5Å; L1274-V1303 HydrophobicContact CD1-CG1 4.28Å |
| 1275 | T | 92.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | L823 R824 N1271 L1272 L1277 A1278 M1279 | L823-T1275 HydrophobicContact CB-CG2 4.06Å; R824-T1275 HydrophobicContact CG-CG2 3.67Å; R824-T1275 WeakPolarHBondContact CG-OG1 3.3Å; N1271-T1275 VanDerWaalsContact O-CB 3.23Å; N1271-T1275 WeakPolarHBondContact O-CB 3.23Å; N1271-T1275 PolarHBondContact O-N 3Å; N1271-T1275 PolarHBondContact O-OG1 2.86Å; L1272-T1275 PolarHBondContact O-N 2.91Å; T1275-L1277 VanDerWaalsContact C-N 3.35Å; T1275-L1277 PolarHBondContact O-N 3.19Å; T1275-A1278 PolarHBondContact O-N 2.98Å; T1275-M1279 HydrophobicContact CG2-CG 4.47Å; T1275-M1279 HydrophobicContact CG2-SD 4.21Å; T1275-M1279 VanDerWaalsContact O-CG 3.29Å; T1275-M1279 WeakPolarHBondContact O-CG 3.38Å; T1275-M1279 PolarHBondContact O-N 2.95Å |
| 1276 | L | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | -178.8 | -68.7 | 172.6 | 0 | 0 | 0 | 112.4 | L823 Y876 Q879 L1062 L1272 I1273 M1280 | L823-L1276 HydrophobicContact CD1-CD2 4.12Å; Y876-L1276 HydrophobicContact CD1-CD1 4.13Å; Y876-L1276 HydrophobicContact CD1-CD2 3.75Å; Y876-L1276 HydrophobicContact CE1-CD1 4.26Å; Y876-L1276 HydrophobicContact CE1-CD2 4.49Å; Y876-L1276 HydrophobicContact CG-CD2 4.43Å; Q879-L1276 HydrophobicContact CB-CD2 4.26Å; Q879-L1276 HydrophobicContact CG-CB 4.13Å; Q879-L1276 HydrophobicContact CG-CD2 3.74Å; Q879-L1276 VanDerWaalsContact CG-O 3.23Å; Q879-L1276 WeakPolarHBondContact CG-O 3.22Å; L1062-L1276 HydrophobicContact CD2-CD1 3.32Å; L1272-L1276 HydrophobicContact CD1-CD1 3.95Å; L1272-L1276 HydrophobicContact CD1-CG 4.03Å; L1272-L1276 HydrophobicContact CG-CD1 3.99Å; L1272-L1276 HydrophobicContact CG-CG 4.45Å; L1272-L1276 VanDerWaalsContact O-CG 3.31Å; L1272-L1276 WeakPolarHBondContact O-CG 3.12Å; L1272-L1276 PolarHBondContact O-N 3.1Å; I1273-L1276 PolarHBondContact O-N 3.41Å; L1276-M1280 WeakPolarHBondContact O-CG 3.34Å |
| 1277 | L | 93 | Very high | 89.4 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 172.7 | -78.2 | 167.6 | 0 | 0 | 0 | 111.7 | L1055 L1059 I1273 L1274 T1275 M1279 M1280 L1288 L1294 V1297 | L1055-L1277 HydrophobicContact CD2-CD2 4.42Å; L1059-L1277 HydrophobicContact CD1-CD2 3.6Å; L1059-L1277 HydrophobicContact CD1-CG 4.12Å; I1273-L1277 HydrophobicContact CG2-CD1 4.06Å; I1273-L1277 WeakPolarHBondContact O-CB 3.22Å; I1273-L1277 WeakPolarHBondContact O-CG 3.35Å; I1273-L1277 PolarHBondContact O-N 3.15Å; L1274-L1277 PolarHBondContact O-N 2.99Å; T1275-L1277 VanDerWaalsContact C-N 3.35Å; T1275-L1277 PolarHBondContact O-N 3.19Å; L1277-M1279 VanDerWaalsContact C-N 3.32Å; L1277-M1279 PolarHBondContact O-N 3.26Å; L1277-M1280 WeakPolarHBondContact O-CB 3.49Å; L1277-M1280 PolarHBondContact O-N 3.19Å; L1277-L1288 HydrophobicContact CD2-CD2 4.36Å; L1277-L1294 HydrophobicContact CB-CD1 4.47Å; L1277-L1294 HydrophobicContact CB-CD2 3.67Å; L1277-L1294 HydrophobicContact CD1-CD2 4.36Å; L1277-L1294 HydrophobicContact CG-CD2 4.43Å; L1277-V1297 HydrophobicContact CD1-CB 4.3Å; L1277-V1297 HydrophobicContact CD1-CG1 4.05Å; L1277-V1297 HydrophobicContact CD1-CG2 3.91Å |
| 1278 | A | 89.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L762 F829 L1274 T1275 M1280 L1281 L1294 | L762-A1278 HydrophobicContact CD2-CB 4.13Å; F829-A1278 HydrophobicContact CB-CB 4.07Å; F829-A1278 HydrophobicContact CD1-CB 3.58Å; F829-A1278 HydrophobicContact CD2-CB 4.4Å; F829-A1278 HydrophobicContact CE1-CB 4.04Å; F829-A1278 HydrophobicContact CG-CB 3.78Å; L1274-A1278 VanDerWaalsContact O-CB 3.26Å; L1274-A1278 WeakPolarHBondContact O-CB 3.45Å; L1274-A1278 PolarHBondContact O-N 2.9Å; T1275-A1278 PolarHBondContact O-N 2.98Å; A1278-M1280 PolarHBondContact O-N 2.96Å; A1278-L1281 WeakPolarHBondContact O-CB 3.32Å; A1278-L1281 WeakPolarHBondContact O-CG 3.45Å; A1278-L1281 PolarHBondContact O-N 3.38Å; A1278-L1281 VanDerWaalsContact O-N 3.17Å; A1278-L1294 HydrophobicContact CB-CD1 3.9Å |
| 1279 | M | 90.9 | Very high | 88 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.7 | 173.9 | -70.9 | -179.9 | 77.7 | 0 | 0 | 113.6 | L823 L826 Q879 L880 Q882 A883 T1275 L1277 P1282 | L823-M1279 HydrophobicContact CB-SD 4Å; L823-M1279 HydrophobicContact CD2-CE 4.23Å; L823-M1279 HydrophobicContact CD2-SD 4.17Å; L826-M1279 HydrophobicContact CB-CE 4.38Å; Q879-M1279 HydrophobicContact CB-CB 3.8Å; Q879-M1279 HydrophobicContact CB-CE 3.93Å; Q879-M1279 HydrophobicContact CB-SD 3.99Å; Q879-M1279 HydrophobicContact CG-CB 3.85Å; L880-M1279 HydrophobicContact CD2-CE 4.34Å; Q882-M1279 VanDerWaalsContact CB-O 3.28Å; Q882-M1279 WeakPolarHBondContact CB-O 3.31Å; A883-M1279 HydrophobicContact CB-CE 4.08Å; T1275-M1279 HydrophobicContact CG2-CG 4.47Å; T1275-M1279 HydrophobicContact CG2-SD 4.21Å; T1275-M1279 VanDerWaalsContact O-CG 3.29Å; T1275-M1279 WeakPolarHBondContact O-CG 3.38Å; T1275-M1279 PolarHBondContact O-N 2.95Å; L1277-M1279 VanDerWaalsContact C-N 3.32Å; L1277-M1279 PolarHBondContact O-N 3.26Å; M1279-P1282 WeakPolarHBondContact O-CD 3.27Å |
| 1280 | M | 90.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -6.3 | 176.9 | -68.9 | -62.3 | -61.4 | 0 | 0 | 113.7 | L878 Q879 Q882 L1055 L1276 L1277 A1278 P1282 S1283 L1285 L1288 | L878-M1280 HydrophobicContact CD1-CE 4.46Å; L878-M1280 HydrophobicContact CD2-CE 3.85Å; L878-M1280 HydrophobicContact CD2-SD 4.13Å; L878-M1280 HydrophobicContact CG-CE 3.87Å; L878-M1280 HydrophobicContact CG-SD 3.83Å; Q879-M1280 HydrophobicContact CG-CG 4.07Å; Q879-M1280 HydrophobicContact CG-SD 4.12Å; Q882-M1280 HydrophobicContact CG-CE 3.97Å; Q882-M1280 HydrophobicContact CG-SD 3.47Å; Q882-M1280 WeakPolarHBondContact CG-SD 3.24Å; L1055-M1280 HydrophobicContact CD1-CE 4.48Å; L1055-M1280 HydrophobicContact CD1-CG 3.74Å; L1055-M1280 HydrophobicContact CD1-SD 4.44Å; L1055-M1280 HydrophobicContact CD2-CB 4.21Å; L1055-M1280 HydrophobicContact CD2-CE 4.4Å; L1055-M1280 HydrophobicContact CD2-CG 4.08Å; L1276-M1280 WeakPolarHBondContact O-CG 3.34Å; L1277-M1280 WeakPolarHBondContact O-CB 3.49Å; L1277-M1280 PolarHBondContact O-N 3.19Å; A1278-M1280 PolarHBondContact O-N 2.96Å; M1280-P1282 VanDerWaalsContact C-CD 3.42Å; M1280-P1282 VanDerWaalsContact C-N 3.31Å; M1280-S1283 WeakPolarHBondContact O-CB 3.4Å; M1280-S1283 PolarHBondContact O-N 2.78Å; M1280-S1283 PolarHBondContact O-OG 3.34Å; M1280-L1285 HydrophobicContact CE-CD1 4.33Å; M1280-L1288 HydrophobicContact CB-CD2 3.58Å |
| 1281 | L | 84.3 | Confident | 86.5 | Confident | 17 Ų | 17 | 16.9 Ų | 16.9 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -53.7 | -39 | 177.3 | -69.3 | 169.9 | 0 | 0 | 0 | 113.8 | F829 A1278 S1283 L1288 S1290 V1291 L1294 | F829-L1281 HydrophobicContact CB-CD1 3.74Å; A1278-L1281 WeakPolarHBondContact O-CB 3.32Å; A1278-L1281 WeakPolarHBondContact O-CG 3.45Å; A1278-L1281 PolarHBondContact O-N 3.38Å; A1278-L1281 VanDerWaalsContact O-N 3.17Å; L1281-S1283 PolarHBondContact O-N 2.98Å; L1281-S1283 VanDerWaalsContact O-N 3.12Å; L1281-L1288 HydrophobicContact CD2-CD1 3.53Å; L1281-L1288 HydrophobicContact CD2-CG 4.09Å; L1281-L1288 HydrophobicContact CG-CD1 4.36Å; L1281-S1290 WeakPolarHBondContact CD2-O 3.41Å; L1281-V1291 HydrophobicContact CD1-CG2 3.74Å; L1281-L1294 HydrophobicContact CD1-CD1 4.5Å |
| 1282 | P | 81.3 | Confident | 85.9 | Confident | 30 Ų | 30 | 17.4 Ų | 17.4 | 20% | 0.195 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -69.4 | -3.9 | 176.3 | -20.8 | 35.1 | 0 | 0 | 0 | 115.2 | A828 K885 M1279 M1280 G1284 | A828-P1282 HydrophobicContact CB-CG 4.43Å; K885-P1282 HydrophobicContact CD-CB 4.04Å; K885-P1282 PolarHBondContact NZ-O 2.67Å; M1279-P1282 WeakPolarHBondContact O-CD 3.27Å; M1280-P1282 VanDerWaalsContact C-CD 3.42Å; M1280-P1282 VanDerWaalsContact C-N 3.31Å; P1282-G1284 VanDerWaalsContact C-N 3.26Å; P1282-G1284 PolarHBondContact O-N 2.77Å |
| 1283 | S | 84.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -68.7 | -23.5 | -179 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | Q882 R1051 M1280 L1281 L1285 | Q882-S1283 VanDerWaalsContact OE1-CA 3.25Å; R1051-S1283 PolarHBondContact NH1-O 3.31Å; M1280-S1283 WeakPolarHBondContact O-CB 3.4Å; M1280-S1283 PolarHBondContact O-N 2.78Å; M1280-S1283 PolarHBondContact O-OG 3.34Å; L1281-S1283 PolarHBondContact O-N 2.98Å; L1281-S1283 VanDerWaalsContact O-N 3.12Å; S1283-L1285 VanDerWaalsContact C-N 3.26Å; S1283-L1285 VanDerWaalsContact OG-CG 3.25Å; S1283-L1285 WeakPolarHBondContact OG-CG 3.16Å; S1283-L1285 PolarHBondContact OG-N 2.8Å |
| 1284 | G | 78.6 | Confident | 85 | Confident | 28 Ų | 28 | 17.9 Ų | 17.9 | 29% | 0.289 | 12% | 0.116 | S | C | . | . | trans | 69.2 | 24.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1282 | P1282-G1284 VanDerWaalsContact C-N 3.26Å; P1282-G1284 PolarHBondContact O-N 2.77Å | ||
| 1285 | L | 85.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 133.1 | 171.8 | -78.7 | 174.9 | 0 | 0 | 0 | 110.1 | R1051 Q1052 L1055 M1280 S1283 E1287 L1288 T1289 | R1051-L1285 HydrophobicContact CB-CD2 3.8Å; Q1052-L1285 HydrophobicContact CB-CD2 3.98Å; L1055-L1285 HydrophobicContact CD2-CD1 3.85Å; M1280-L1285 HydrophobicContact CE-CD1 4.33Å; S1283-L1285 VanDerWaalsContact C-N 3.26Å; S1283-L1285 VanDerWaalsContact OG-CG 3.25Å; S1283-L1285 WeakPolarHBondContact OG-CG 3.16Å; S1283-L1285 PolarHBondContact OG-N 2.8Å; L1285-E1287 PolarHBondContact O-N 2.92Å; L1285-E1287 VanDerWaalsContact O-N 3.11Å; L1285-L1288 HydrophobicContact CB-CB 4.15Å; L1285-L1288 CarbonylContact O-C 3.42Å; L1285-L1288 PolarHBondContact O-N 3.45Å; L1285-L1288 VanDerWaalsContact O-N 3.1Å; L1285-T1289 WeakPolarHBondContact O-CG2 3.46Å |
| 1286 | P | 79.7 | Confident | 84.6 | Confident | 93 Ų | 93 | 22.7 Ų | 22.7 | 60% | 0.604 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.2 | -174.3 | -25 | 33.2 | 0 | 0 | 0 | 114.6 | T1289 | P1286-T1289 WeakPolarHBondContact O-CG2 3.49Š|
| 1287 | E | 84.7 | Confident | 84.6 | Confident | 21 Ų | 21 | 22.7 Ų | 22.7 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -0 | -176.3 | -66.9 | -168.4 | 164.8 | 0 | 0 | 113.4 | Q1052 H1191 I1192 N1195 L1285 | Q1052-E1287 PolarHBondContact NE2-OE2 3.22Å; H1191-E1287 WeakPolarHBondContact CA-OE1 3.36Å; H1191-E1287 WeakPolarHBondContact CA-OE2 3.19Å; H1191-E1287 IonicContact CE1-OE1 3.86Å; H1191-E1287 IonicContact CG-OE1 2.93Å; H1191-E1287 IonicContact ND1-OE1 3.84Å; H1191-E1287 PolarHBondContact ND1-OE1 3.09Å; I1192-E1287 HydrophobicContact CG1-CB 4.24Å; I1192-E1287 PolarHBondContact N-OE2 3.08Å; N1195-E1287 HydrophobicContact CB-CB 4.48Å; N1195-E1287 HydrophobicContact CB-CG 3.99Å; N1195-E1287 VanDerWaalsContact ND2-CB 3.31Å; N1195-E1287 WeakPolarHBondContact ND2-CB 3.39Å; N1195-E1287 PolarHBondContact ND2-O 3.38Å; L1285-E1287 PolarHBondContact O-N 2.92Å; L1285-E1287 VanDerWaalsContact O-N 3.11Å |
| 1288 | L | 84.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -137.8 | 79.9 | 176.9 | 178 | 55.8 | 0 | 0 | 0 | 109 | L1055 L1193 L1277 M1280 L1281 L1285 D1293 L1294 | L1055-L1288 HydrophobicContact CD2-CD2 3.88Å; L1193-L1288 HydrophobicContact CD1-CB 4.06Å; L1193-L1288 HydrophobicContact CD1-CD1 3.79Å; L1193-L1288 HydrophobicContact CD1-CG 4.36Å; L1277-L1288 HydrophobicContact CD2-CD2 4.36Å; M1280-L1288 HydrophobicContact CB-CD2 3.58Å; L1281-L1288 HydrophobicContact CD2-CD1 3.53Å; L1281-L1288 HydrophobicContact CD2-CG 4.09Å; L1281-L1288 HydrophobicContact CG-CD1 4.36Å; L1285-L1288 HydrophobicContact CB-CB 4.15Å; L1285-L1288 CarbonylContact O-C 3.42Å; L1285-L1288 PolarHBondContact O-N 3.45Å; L1285-L1288 VanDerWaalsContact O-N 3.1Å; L1288-D1293 HydrophobicContact CD1-CB 4.4Å; L1288-L1294 HydrophobicContact CD1-CD2 3.41Å; L1288-L1294 VanDerWaalsContact CD1-CD2 3.41Å; L1288-L1294 HydrophobicContact CD1-CG 4.15Å |
| 1289 | T | 76.2 | Confident | 84.7 | Confident | 48 Ų | 48 | 30.3 Ų | 30.3 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -111.7 | -32.9 | -174.1 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | R833 L1285 P1286 D1293 | R833-T1289 VanDerWaalsContact CZ-C 3.47Å; R833-T1289 PolarHBondContact NH1-O 3.2Å; R833-T1289 VanDerWaalsContact NH2-C 3.28Å; R833-T1289 PolarHBondContact NH2-O 2.86Å; R833-T1289 VanDerWaalsContact NH2-O 3.14Å; R833-T1289 PolarHBondContact NH2-OG1 3.18Å; L1285-T1289 WeakPolarHBondContact O-CG2 3.46Å; P1286-T1289 WeakPolarHBondContact O-CG2 3.49Å; T1289-D1293 WeakPolarHBondContact CA-OD2 3.33Å; T1289-D1293 PolarHBondContact N-OD2 3.4Å; T1289-D1293 PolarHBondContact OG1-OD2 2.99Å |
| 1290 | S | 76.6 | Confident | 84.8 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 8% | 0.077 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -136 | 162.7 | -173.1 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | L1281 C1292 D1293 | L1281-S1290 WeakPolarHBondContact CD2-O 3.41Å; S1290-C1292 PolarHBondContact O-N 2.92Å; S1290-C1292 WeakPolarHBondContact OG-CB 3.03Å; S1290-C1292 PolarHBondContact OG-N 2.81Å; S1290-D1293 PolarHBondContact N-OD2 2.94Å; S1290-D1293 WeakPolarHBondContact O-CB 3.21Å; S1290-D1293 PolarHBondContact O-N 3.06Å; S1290-D1293 PolarHBondContact OG-OD2 2.7Å |
| 1291 | V | 78.3 | Confident | 85.1 | Confident | 17 Ų | 17 | 30.2 Ų | 30.2 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -59.9 | -29.1 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | L762 L831 L1281 D1293 L1294 | L762-V1291 HydrophobicContact CB-CG1 4.47Å; L762-V1291 HydrophobicContact CD1-CG1 4.4Å; L762-V1291 HydrophobicContact CD2-CG1 4.11Å; L831-V1291 HydrophobicContact CD2-CG1 3.98Å; L831-V1291 HydrophobicContact CD2-CG2 3.89Å; L1281-V1291 HydrophobicContact CD1-CG2 3.74Å; V1291-D1293 PolarHBondContact O-N 3.2Å; V1291-L1294 VanDerWaalsContact O-CB 3.29Å; V1291-L1294 WeakPolarHBondContact O-CB 2.92Å; V1291-L1294 PolarHBondContact O-N 3.47Å |
| 1292 | C | 78.8 | Confident | 85.5 | Confident | 65 Ų | 65 | 29.8 Ų | 29.8 | 44% | 0.439 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -60.2 | -30.2 | 175.2 | -59 | 0 | 0 | 0 | 0 | 112.5 | S1290 L1294 E1295 | S1290-C1292 PolarHBondContact O-N 2.92Å; S1290-C1292 WeakPolarHBondContact OG-CB 3.03Å; S1290-C1292 PolarHBondContact OG-N 2.81Å; C1292-L1294 PolarHBondContact O-N 3.19Å; C1292-E1295 VanDerWaalsContact O-CB 3.26Å; C1292-E1295 WeakPolarHBondContact O-CB 3.38Å; C1292-E1295 PolarHBondContact O-N 2.75Å |
| 1293 | D | 81.7 | Confident | 86 | Confident | 35 Ų | 35 | 29.3 Ų | 29.3 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -67.8 | -23 | 176.8 | -56 | -39.9 | 0 | 0 | 0 | 111.1 | L1193 L1288 T1289 S1290 V1291 E1295 | L1193-D1293 HydrophobicContact CD1-CB 4.22Å; L1288-D1293 HydrophobicContact CD1-CB 4.4Å; T1289-D1293 WeakPolarHBondContact CA-OD2 3.33Å; T1289-D1293 PolarHBondContact N-OD2 3.4Å; T1289-D1293 PolarHBondContact OG1-OD2 2.99Å; S1290-D1293 PolarHBondContact N-OD2 2.94Å; S1290-D1293 WeakPolarHBondContact O-CB 3.21Å; S1290-D1293 PolarHBondContact O-N 3.06Å; S1290-D1293 PolarHBondContact OG-OD2 2.7Å; V1291-D1293 PolarHBondContact O-N 3.2Å; D1293-E1295 VanDerWaalsContact C-N 3.35Å |
| 1294 | L | 88.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -82.3 | -13.1 | 178 | -54.3 | -176.5 | 0 | 0 | 0 | 113.4 | L762 L1193 L1277 A1278 L1281 L1288 V1291 C1292 H1296 V1297 R1298 | L762-L1294 HydrophobicContact CD1-CB 3.68Å; L762-L1294 HydrophobicContact CD1-CD1 3.72Å; L762-L1294 HydrophobicContact CD1-CG 4.35Å; L762-L1294 HydrophobicContact CD2-CD1 4.31Å; L1193-L1294 HydrophobicContact CD1-CD2 4.27Å; L1277-L1294 HydrophobicContact CB-CD1 4.47Å; L1277-L1294 HydrophobicContact CB-CD2 3.67Å; L1277-L1294 HydrophobicContact CD1-CD2 4.36Å; L1277-L1294 HydrophobicContact CG-CD2 4.43Å; A1278-L1294 HydrophobicContact CB-CD1 3.9Å; L1281-L1294 HydrophobicContact CD1-CD1 4.5Å; L1288-L1294 HydrophobicContact CD1-CD2 3.41Å; L1288-L1294 VanDerWaalsContact CD1-CD2 3.41Å; L1288-L1294 HydrophobicContact CD1-CG 4.15Å; V1291-L1294 VanDerWaalsContact O-CB 3.29Å; V1291-L1294 WeakPolarHBondContact O-CB 2.92Å; V1291-L1294 PolarHBondContact O-N 3.47Å; C1292-L1294 PolarHBondContact O-N 3.19Å; L1294-H1296 PolarHBondContact O-N 3.25Å; L1294-V1297 PolarHBondContact O-N 2.88Å; L1294-R1298 PolarHBondContact O-N 2.92Å; L1294-R1298 VanDerWaalsContact O-N 3.08Å |
| 1295 | E | 87 | Confident | 86.7 | Confident | 73 Ų | 73 | 37 Ų | 37 | 34% | 0.341 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.2 | -31.7 | -177.4 | -169.4 | 52.8 | -136.1 | 0 | 0 | 111.9 | C1292 D1293 V1297 R1298 K1299 | C1292-E1295 VanDerWaalsContact O-CB 3.26Å; C1292-E1295 WeakPolarHBondContact O-CB 3.38Å; C1292-E1295 PolarHBondContact O-N 2.75Å; D1293-E1295 VanDerWaalsContact C-N 3.35Å; E1295-V1297 VanDerWaalsContact C-N 3.33Å; E1295-V1297 PolarHBondContact O-N 3.22Å; E1295-R1298 PolarHBondContact O-N 2.95Å; E1295-R1298 WeakPolarHBondContact OE2-CD 3Å; E1295-R1298 IonicContact OE2-CZ 3.85Å; E1295-R1298 IonicContact OE2-NE 3.43Å; E1295-R1298 IonicContact OE2-NH1 2.89Å; E1295-R1298 PolarHBondContact OE2-NH1 3.18Å; E1295-K1299 VanDerWaalsContact O-CB 3.22Å; E1295-K1299 WeakPolarHBondContact O-CB 3.02Å; E1295-K1299 PolarHBondContact O-N 2.83Å |
| 1296 | H | 89.4 | Confident | 86.7 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -45 | 172.7 | 176.6 | 71.7 | 0 | 0 | 0 | 112 | F1164 I1165 G1167 D1194 L1294 K1299 T1300 | F1164-H1296 PolarHBondContact O-NE2 3.27Å; I1165-H1296 PolarHBondContact O-CD2 3.21Å; I1165-H1296 PolarHBondContact O-NE2 3.36Å; G1167-H1296 WeakPolarHBondContact CA-NE2 3.41Å; G1167-H1296 PolarHBondContact N-NE2 2.88Å; D1194-H1296 HydrophobicContact CB-CB 4.27Å; D1194-H1296 WeakPolarHBondContact CB-ND1 3.23Å; L1294-H1296 PolarHBondContact O-N 3.25Å; H1296-K1299 PolarHBondContact O-N 2.91Å; H1296-T1300 WeakPolarHBondContact CE1-CG2 3.17Å; H1296-T1300 WeakPolarHBondContact NE2-CG2 3.46Å; H1296-T1300 WeakPolarHBondContact O-CB 3.31Å; H1296-T1300 WeakPolarHBondContact O-CG2 3.08Å; H1296-T1300 PolarHBondContact O-N 2.84Å; H1296-T1300 PolarHBondContact O-OG1 3.47Å |
| 1297 | V | 92.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.8 | -42.3 | -179.2 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | I1165 L1193 I1273 L1274 L1277 L1294 E1295 K1299 T1300 L1301 | I1165-V1297 HydrophobicContact CG2-CG1 4.08Å; L1193-V1297 HydrophobicContact CD2-CG2 3.35Å; I1273-V1297 HydrophobicContact CG2-CG1 4.19Å; L1274-V1297 HydrophobicContact CD2-CB 4.08Å; L1274-V1297 HydrophobicContact CD2-CG1 3.8Å; L1277-V1297 HydrophobicContact CD1-CB 4.3Å; L1277-V1297 HydrophobicContact CD1-CG1 4.05Å; L1277-V1297 HydrophobicContact CD1-CG2 3.91Å; L1294-V1297 PolarHBondContact O-N 2.88Å; E1295-V1297 VanDerWaalsContact C-N 3.33Å; E1295-V1297 PolarHBondContact O-N 3.22Å; V1297-K1299 VanDerWaalsContact C-N 3.35Å; V1297-K1299 PolarHBondContact O-N 3.26Å; V1297-T1300 WeakPolarHBondContact CA-OG1 3.44Å; V1297-T1300 PolarHBondContact O-N 3.4Å; V1297-T1300 PolarHBondContact O-OG1 2.97Å; V1297-T1300 VanDerWaalsContact O-OG1 3.09Å; V1297-L1301 HydrophobicContact CG1-CD1 3.73Å; V1297-L1301 HydrophobicContact CG1-CG 4.37Å; V1297-L1301 WeakPolarHBondContact O-CB 3.33Å; V1297-L1301 WeakPolarHBondContact O-CG 3.32Å; V1297-L1301 PolarHBondContact O-N 2.79Å |
| 1298 | R | 93.1 | Very high | 87.6 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.6 | -48.8 | 174.3 | -64.6 | 177.8 | 79.3 | -151.3 | 1 | 111.4 | D760 L762 L1274 L1294 E1295 A1302 V1303 | D760-R1298 IonicContact OD1-CZ 3.13Å; D760-R1298 IonicContact OD1-NE 2.65Å; D760-R1298 IonicContact OD1-NH2 3.94Å; D760-R1298 PolarHBondContact OD1-NH2 2.95Å; D760-R1298 IonicContact OD2-CZ 3.34Å; D760-R1298 IonicContact OD2-NE 3.19Å; D760-R1298 PolarHBondContact OD2-NE 3.27Å; D760-R1298 IonicContact OD2-NH2 2.68Å; D760-R1298 PolarHBondContact OD2-NH2 3.46Å; L762-R1298 HydrophobicContact CD1-CG 3.94Å; L1274-R1298 HydrophobicContact CD1-CG 3.96Å; L1274-R1298 HydrophobicContact CD2-CG 3.68Å; L1274-R1298 HydrophobicContact CG-CG 4.5Å; L1294-R1298 PolarHBondContact O-N 2.92Å; L1294-R1298 VanDerWaalsContact O-N 3.08Å; E1295-R1298 PolarHBondContact O-N 2.95Å; E1295-R1298 WeakPolarHBondContact OE2-CD 3Å; E1295-R1298 IonicContact OE2-CZ 3.85Å; E1295-R1298 IonicContact OE2-NE 3.43Å; E1295-R1298 IonicContact OE2-NH1 2.89Å; E1295-R1298 PolarHBondContact OE2-NH1 3.18Å; R1298-A1302 PolarHBondContact O-N 2.89Å; R1298-A1302 VanDerWaalsContact O-N 3.09Å; R1298-V1303 HydrophobicContact CB-CG2 4.01Å; R1298-V1303 PolarHBondContact O-N 3.26Å |
| 1299 | K | 92.6 | Very high | 88 | Confident | 134 Ų | 134 | 51 Ų | 51 | 58% | 0.583 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 179.4 | -180 | 175.8 | -179.6 | 175.5 | 0 | 113.2 | E1295 H1296 V1297 A1302 | E1295-K1299 VanDerWaalsContact O-CB 3.22Å; E1295-K1299 WeakPolarHBondContact O-CB 3.02Å; E1295-K1299 PolarHBondContact O-N 2.83Å; H1296-K1299 PolarHBondContact O-N 2.91Å; V1297-K1299 VanDerWaalsContact C-N 3.35Å; V1297-K1299 PolarHBondContact O-N 3.26Å; K1299-A1302 PolarHBondContact O-N 3.29Å; K1299-A1302 VanDerWaalsContact O-N 3.13Å |
| 1300 | T | 92.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.1 | -35.3 | -179.3 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | F1164 I1165 Y1263 H1296 V1297 A1302 | F1164-T1300 HydrophobicContact CD2-CG2 4.34Å; F1164-T1300 HydrophobicContact CE1-CG2 4.19Å; F1164-T1300 HydrophobicContact CE2-CG2 3.84Å; F1164-T1300 HydrophobicContact CZ-CG2 3.76Å; I1165-T1300 PolarHBondContact O-OG1 2.88Å; Y1263-T1300 VanDerWaalsContact CE2-O 3.24Å; Y1263-T1300 WeakPolarHBondContact CE2-O 3.37Å; Y1263-T1300 PolarHBondContact OH-O 3.35Å; H1296-T1300 WeakPolarHBondContact CE1-CG2 3.17Å; H1296-T1300 WeakPolarHBondContact NE2-CG2 3.46Å; H1296-T1300 WeakPolarHBondContact O-CB 3.31Å; H1296-T1300 WeakPolarHBondContact O-CG2 3.08Å; H1296-T1300 PolarHBondContact O-N 2.84Å; H1296-T1300 PolarHBondContact O-OG1 3.47Å; V1297-T1300 WeakPolarHBondContact CA-OG1 3.44Å; V1297-T1300 PolarHBondContact O-N 3.4Å; V1297-T1300 PolarHBondContact O-OG1 2.97Å; V1297-T1300 VanDerWaalsContact O-OG1 3.09Å; T1300-A1302 PolarHBondContact O-N 2.68Å |
| 1301 | L | 95 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -8.1 | 170 | -67.9 | 172.1 | 0 | 0 | 0 | 113.2 | I1165 Y1263 R1267 V1297 V1303 | I1165-L1301 HydrophobicContact CD1-CD2 3.76Å; I1165-L1301 HydrophobicContact CG1-CD2 3.96Å; I1165-L1301 HydrophobicContact CG2-CD1 4.33Å; I1165-L1301 HydrophobicContact CG2-CD2 3.9Å; I1165-L1301 HydrophobicContact CG2-CG 3.99Å; Y1263-L1301 PolarHBondContact OH-O 2.94Å; R1267-L1301 WeakPolarHBondContact CD-O 3.25Å; R1267-L1301 WeakPolarHBondContact CG-O 3.33Å; R1267-L1301 PolarHBondContact NE-O 3.06Å; V1297-L1301 HydrophobicContact CG1-CD1 3.73Å; V1297-L1301 HydrophobicContact CG1-CG 4.37Å; V1297-L1301 WeakPolarHBondContact O-CB 3.33Å; V1297-L1301 WeakPolarHBondContact O-CG 3.32Å; V1297-L1301 PolarHBondContact O-N 2.79Å; L1301-V1303 VanDerWaalsContact C-N 3.26Å; L1301-V1303 HydrophobicContact CB-CG1 3.86Å; L1301-V1303 PolarHBondContact O-N 3.08Å |
| 1302 | A | 93.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1267 R1298 K1299 T1300 E1304 I1305 A1311 Y1314 | R1267-A1302 PolarHBondContact NE-O 3.23Å; R1267-A1302 PolarHBondContact NH2-O 3.14Å; R1298-A1302 PolarHBondContact O-N 2.89Å; R1298-A1302 VanDerWaalsContact O-N 3.09Å; K1299-A1302 PolarHBondContact O-N 3.29Å; K1299-A1302 VanDerWaalsContact O-N 3.13Å; T1300-A1302 PolarHBondContact O-N 2.68Å; A1302-E1304 PolarHBondContact O-N 2.81Å; A1302-I1305 HydrophobicContact CB-CB 4.42Å; A1302-I1305 HydrophobicContact CB-CD1 3.98Å; A1302-I1305 HydrophobicContact CB-CG1 4.22Å; A1302-I1305 PolarHBondContact O-N 2.76Å; A1302-I1305 VanDerWaalsContact O-N 3.13Å; A1302-A1311 HydrophobicContact CB-CB 4.12Å; A1302-Y1314 HydrophobicContact CB-CD1 4.01Å; A1302-Y1314 HydrophobicContact CB-CE1 4.39Å |
| 1303 | V | 91.9 | Very high | 91 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 13% | 0.127 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.7 | -175.5 | -62 | 0 | 0 | 0 | 0 | 113 | D760 L1274 R1298 L1301 I1305 | D760-V1303 HydrophobicContact CB-CB 4.09Å; D760-V1303 HydrophobicContact CB-CG1 4.42Å; D760-V1303 HydrophobicContact CB-CG2 4.01Å; L1274-V1303 HydrophobicContact CD1-CG1 4.28Å; R1298-V1303 HydrophobicContact CB-CG2 4.01Å; R1298-V1303 PolarHBondContact O-N 3.26Å; L1301-V1303 VanDerWaalsContact C-N 3.26Å; L1301-V1303 HydrophobicContact CB-CG1 3.86Å; L1301-V1303 PolarHBondContact O-N 3.08Å; V1303-I1305 VanDerWaalsContact C-N 3.32Å |
| 1304 | E | 87.7 | Confident | 91.5 | Very high | 139 Ų | 139 | 55 Ų | 55 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.4 | 176.3 | -59.5 | -174.6 | 158.7 | 0 | 0 | 113.7 | A1302 | A1302-E1304 PolarHBondContact O-N 2.81Š|
| 1305 | I | 89.9 | Confident | 91.6 | Very high | 51 Ų | 51 | 55.1 Ų | 55.1 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | trans | -92.8 | 101.3 | -179.4 | -56.5 | -176.1 | 0 | 0 | 0 | 108.9 | R1267 A1302 V1303 N1307 E1310 A1311 | R1267-I1305 PolarHBondContact NH2-O 3.22Å; A1302-I1305 HydrophobicContact CB-CB 4.42Å; A1302-I1305 HydrophobicContact CB-CD1 3.98Å; A1302-I1305 HydrophobicContact CB-CG1 4.22Å; A1302-I1305 PolarHBondContact O-N 2.76Å; A1302-I1305 VanDerWaalsContact O-N 3.13Å; V1303-I1305 VanDerWaalsContact C-N 3.32Å; I1305-N1307 VanDerWaalsContact C-N 3.26Å; I1305-N1307 PolarHBondContact O-N 3.2Å; I1305-E1310 HydrophobicContact CG2-CB 3.53Å; I1305-A1311 HydrophobicContact CG2-CB 4.42Å | ||
| 1306 | D | 85.5 | Confident | 91.7 | Very high | 124 Ų | 124 | 54.2 Ų | 54.2 | 66% | 0.663 | 27% | 0.268 | S | S | * | . | trans | -61.9 | -34.3 | -177 | -62.6 | -32.2 | 0 | 0 | 0 | 113 | E1308 | D1306-E1308 PolarHBondContact O-N 2.83Š| ||
| 1307 | N | 90.6 | Very high | 91.7 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | trans | -78.3 | 117 | -177.4 | -173.9 | -20.5 | 0 | 0 | 0 | 112.3 | I1305 H1309 E1310 A1311 | I1305-N1307 VanDerWaalsContact C-N 3.26Å; I1305-N1307 PolarHBondContact O-N 3.2Å; N1307-H1309 VanDerWaalsContact C-N 3.26Å; N1307-H1309 PolarHBondContact O-N 2.99Å; N1307-H1309 WeakPolarHBondContact OD1-CB 3.48Å; N1307-H1309 PolarHBondContact OD1-N 3.49Å; N1307-E1310 HydrophobicContact CB-CB 4.17Å; N1307-E1310 HydrophobicContact CB-CG 4.11Å; N1307-E1310 PolarHBondContact O-N 3.29Å; N1307-E1310 VanDerWaalsContact O-N 3.16Å; N1307-A1311 PolarHBondContact O-N 3.38Å; N1307-A1311 VanDerWaalsContact O-N 3.07Å | ||
| 1308 | E | 92.6 | Very high | 91.4 | Very high | 75 Ų | 75 | 60.9 Ų | 60.9 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.4 | -36.8 | 178.2 | -165.5 | 177.7 | 98.8 | 0 | 0 | 113 | L1264 K1268 D1306 A1311 L1312 | L1264-E1308 HydrophobicContact CD1-CG 4.05Å; L1264-E1308 HydrophobicContact CD2-CG 3.47Å; L1264-E1308 VanDerWaalsContact CD2-CG 3.47Å; L1264-E1308 HydrophobicContact CG-CG 4.31Å; K1268-E1308 WeakPolarHBondContact CE-OE2 3.49Å; K1268-E1308 IonicContact NZ-OE2 3.55Å; D1306-E1308 PolarHBondContact O-N 2.83Å; E1308-A1311 PolarHBondContact O-N 3Å; E1308-L1312 WeakPolarHBondContact O-CB 3.35Å; E1308-L1312 PolarHBondContact O-N 2.81Å |
| 1309 | H | 92.8 | Very high | 91.1 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 66% | 0.662 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.1 | -37.4 | 179.4 | -68.8 | -68.7 | 0 | 0 | 0 | 112.7 | N1307 L1312 A1313 | N1307-H1309 VanDerWaalsContact C-N 3.26Å; N1307-H1309 PolarHBondContact O-N 2.99Å; N1307-H1309 WeakPolarHBondContact OD1-CB 3.48Å; N1307-H1309 PolarHBondContact OD1-N 3.49Å; H1309-L1312 PolarHBondContact O-N 3.01Å; H1309-A1313 WeakPolarHBondContact O-CB 3.41Å; H1309-A1313 PolarHBondContact O-N 2.68Å |
| 1310 | E | 94.5 | Very high | 90.6 | Very high | 115 Ų | 115 | 57.3 Ų | 57.3 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.2 | -40.1 | 176.9 | -72 | 176.6 | -162.7 | 0 | 0 | 111 | I1305 N1307 L1312 A1313 Y1314 | I1305-E1310 HydrophobicContact CG2-CB 3.53Å; N1307-E1310 HydrophobicContact CB-CB 4.17Å; N1307-E1310 HydrophobicContact CB-CG 4.11Å; N1307-E1310 PolarHBondContact O-N 3.29Å; N1307-E1310 VanDerWaalsContact O-N 3.16Å; E1310-L1312 VanDerWaalsContact C-N 3.33Å; E1310-L1312 PolarHBondContact O-N 3.16Å; E1310-A1313 PolarHBondContact O-N 3.28Å; E1310-Y1314 PolarHBondContact O-N 3.45Å |
| 1311 | A | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1302 I1305 N1307 E1308 Y1314 F1315 | A1302-A1311 HydrophobicContact CB-CB 4.12Å; I1305-A1311 HydrophobicContact CG2-CB 4.42Å; N1307-A1311 PolarHBondContact O-N 3.38Å; N1307-A1311 VanDerWaalsContact O-N 3.07Å; E1308-A1311 PolarHBondContact O-N 3Å; A1311-Y1314 WeakPolarHBondContact O-CB 3.22Å; A1311-Y1314 PolarHBondContact O-N 2.8Å; A1311-F1315 PolarHBondContact O-N 3.46Å |
| 1312 | L | 93.7 | Very high | 89 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 173.9 | -176.7 | 63.6 | 0 | 0 | 0 | 112 | L1264 E1308 H1309 E1310 Y1314 F1315 H1316 | L1264-L1312 HydrophobicContact CD1-CB 4.49Å; L1264-L1312 HydrophobicContact CD1-CD1 4.24Å; L1264-L1312 HydrophobicContact CD1-CD2 4.17Å; L1264-L1312 HydrophobicContact CD2-CB 4.25Å; L1264-L1312 HydrophobicContact CG-CD1 4.19Å; E1308-L1312 WeakPolarHBondContact O-CB 3.35Å; E1308-L1312 PolarHBondContact O-N 2.81Å; H1309-L1312 PolarHBondContact O-N 3.01Å; E1310-L1312 VanDerWaalsContact C-N 3.33Å; E1310-L1312 PolarHBondContact O-N 3.16Å; L1312-Y1314 VanDerWaalsContact C-N 3.33Å; L1312-Y1314 PolarHBondContact O-N 3.2Å; L1312-F1315 HydrophobicContact CD1-CD1 4.33Å; L1312-F1315 PolarHBondContact O-N 3.06Å; L1312-H1316 WeakPolarHBondContact O-CB 3.48Å; L1312-H1316 PolarHBondContact O-N 2.97Å |
| 1313 | A | 92.1 | Very high | 88.1 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1309 E1310 H1316 H1317 | H1309-A1313 WeakPolarHBondContact O-CB 3.41Å; H1309-A1313 PolarHBondContact O-N 2.68Å; E1310-A1313 PolarHBondContact O-N 3.28Å; A1313-H1316 PolarHBondContact O-N 2.87Å; A1313-H1317 WeakPolarHBondContact O-CB 3.34Å; A1313-H1317 PolarHBondContact O-N 2.76Å |
| 1314 | Y | 91.6 | Very high | 87.2 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 171.3 | 166.9 | -102.2 | 0 | 0 | 0 | 111.7 | F1164 A1302 E1310 A1311 L1312 H1317 K1318 | F1164-Y1314 HydrophobicContact CZ-CE1 4.27Å; A1302-Y1314 HydrophobicContact CB-CD1 4.01Å; A1302-Y1314 HydrophobicContact CB-CE1 4.39Å; E1310-Y1314 PolarHBondContact O-N 3.45Å; A1311-Y1314 WeakPolarHBondContact O-CB 3.22Å; A1311-Y1314 PolarHBondContact O-N 2.8Å; L1312-Y1314 VanDerWaalsContact C-N 3.33Å; L1312-Y1314 PolarHBondContact O-N 3.2Å; Y1314-H1317 WeakPolarHBondContact O-CB 3.18Å; Y1314-H1317 PolarHBondContact O-N 2.97Å; Y1314-K1318 HydrophobicContact CE2-CG 4.1Å; Y1314-K1318 PolarHBondContact O-N 2.91Å |
| 1315 | F | 92.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 175.7 | 173.6 | -103.3 | 0 | 0 | 0 | 111.8 | V1161 F1164 C1259 Y1263 A1311 L1312 H1317 K1318 F1319 | V1161-F1315 HydrophobicContact CG2-CE2 4.46Å; V1161-F1315 HydrophobicContact CG2-CZ 4.03Å; F1164-F1315 AromaticContact CD1-CD2 3.96Å; F1164-F1315 HydrophobicContact CD1-CD2 3.96Å; F1164-F1315 AromaticContact CD1-CE2 3.94Å; F1164-F1315 HydrophobicContact CD1-CE2 3.94Å; F1164-F1315 AromaticContact CE1-CD2 3.76Å; F1164-F1315 HydrophobicContact CE1-CD2 3.76Å; F1164-F1315 HydrophobicContact CE1-CE2 4.23Å; C1259-F1315 HydrophobicContact CB-CE1 3.98Å; C1259-F1315 HydrophobicContact CB-CZ 3.97Å; Y1263-F1315 HydrophobicContact CD1-CB 3.71Å; Y1263-F1315 HydrophobicContact CD1-CD1 4.29Å; Y1263-F1315 HydrophobicContact CD1-CD2 4.31Å; Y1263-F1315 AromaticContact CD1-CG 3.84Å; Y1263-F1315 HydrophobicContact CD1-CG 3.84Å; Y1263-F1315 HydrophobicContact CD2-CB 4.38Å; Y1263-F1315 AromaticContact CD2-CD2 3.66Å; Y1263-F1315 HydrophobicContact CD2-CD2 3.66Å; Y1263-F1315 HydrophobicContact CD2-CE2 4.19Å; Y1263-F1315 HydrophobicContact CD2-CG 4.05Å; Y1263-F1315 HydrophobicContact CE1-CB 3.67Å; Y1263-F1315 HydrophobicContact CE1-CG 4.26Å; Y1263-F1315 HydrophobicContact CE2-CB 4.35Å; Y1263-F1315 HydrophobicContact CE2-CD2 4.1Å; Y1263-F1315 HydrophobicContact CE2-CG 4.45Å; Y1263-F1315 HydrophobicContact CG-CB 4.07Å; Y1263-F1315 HydrophobicContact CG-CD1 4.19Å; Y1263-F1315 AromaticContact CG-CD2 3.77Å; Y1263-F1315 HydrophobicContact CG-CD2 3.77Å; Y1263-F1315 HydrophobicContact CG-CE2 4.29Å; Y1263-F1315 AromaticContact CG-CG 3.72Å; Y1263-F1315 HydrophobicContact CG-CG 3.72Å; A1311-F1315 PolarHBondContact O-N 3.46Å; L1312-F1315 HydrophobicContact CD1-CD1 4.33Å; L1312-F1315 PolarHBondContact O-N 3.06Å; F1315-H1317 VanDerWaalsContact C-N 3.29Å; F1315-H1317 PolarHBondContact O-N 2.88Å; F1315-K1318 CarbonylContact O-C 3.58Å; F1315-K1318 PolarHBondContact O-N 3.49Å; F1315-K1318 VanDerWaalsContact O-N 3.12Å; F1315-F1319 HydrophobicContact CE1-CD2 4.39Å; F1315-F1319 HydrophobicContact CZ-CD2 4.13Å; F1315-F1319 WeakPolarHBondContact O-CB 3.43Å; F1315-F1319 PolarHBondContact O-N 3.11Å |
| 1316 | H | 88.9 | Confident | 84.9 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 25% | 0.25 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.9 | -37 | 177.1 | -75.2 | 176.6 | 0 | 0 | 0 | 112.6 | L1312 A1313 F1319 N1320 | L1312-H1316 WeakPolarHBondContact O-CB 3.48Å; L1312-H1316 PolarHBondContact O-N 2.97Å; A1313-H1316 PolarHBondContact O-N 2.87Å; H1316-F1319 PolarHBondContact O-N 2.7Å; H1316-N1320 WeakPolarHBondContact O-CB 3.42Å; H1316-N1320 VanDerWaalsContact O-CG 3.24Å; H1316-N1320 PolarHBondContact O-N 2.97Å; H1316-N1320 PolarHBondContact O-ND2 3.01Å |
| 1317 | H | 88.4 | Confident | 83.5 | Confident | 120 Ų | 120 | 61.2 Ų | 61.2 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 173.6 | 179.6 | 72.7 | 0 | 0 | 0 | 111.3 | A1313 Y1314 F1315 F1319 N1320 E1321 | A1313-H1317 WeakPolarHBondContact O-CB 3.34Å; A1313-H1317 PolarHBondContact O-N 2.76Å; Y1314-H1317 WeakPolarHBondContact O-CB 3.18Å; Y1314-H1317 PolarHBondContact O-N 2.97Å; F1315-H1317 VanDerWaalsContact C-N 3.29Å; F1315-H1317 PolarHBondContact O-N 2.88Å; H1317-F1319 VanDerWaalsContact C-N 3.32Å; H1317-F1319 PolarHBondContact O-N 3.39Å; H1317-N1320 PolarHBondContact O-N 3.38Å; H1317-E1321 PolarHBondContact O-N 2.81Å |
| 1318 | K | 87.1 | Confident | 82 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 22% | 0.222 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 175.8 | -70.5 | -72.8 | 154.4 | -155.4 | 0 | 112.7 | F1164 P1208 Y1314 F1315 E1321 A1322 | F1164-K1318 HydrophobicContact CE2-CB 4.05Å; F1164-K1318 HydrophobicContact CE2-CG 4.21Å; F1164-K1318 HydrophobicContact CZ-CB 4.2Å; F1164-K1318 HydrophobicContact CZ-CG 4.24Å; P1208-K1318 HydrophobicContact CB-CD 4.41Å; P1208-K1318 HydrophobicContact CG-CB 4.41Å; P1208-K1318 HydrophobicContact CG-CD 4.32Å; P1208-K1318 WeakPolarHBondContact CG-O 3.38Å; Y1314-K1318 HydrophobicContact CE2-CG 4.1Å; Y1314-K1318 PolarHBondContact O-N 2.91Å; F1315-K1318 CarbonylContact O-C 3.58Å; F1315-K1318 PolarHBondContact O-N 3.49Å; F1315-K1318 VanDerWaalsContact O-N 3.12Å; K1318-E1321 IonicContact NZ-OE2 3.99Å; K1318-E1321 PolarHBondContact NZ-OE2 2.87Å; K1318-E1321 PolarHBondContact O-N 3.46Å; K1318-A1322 PolarHBondContact O-N 2.91Å; K1318-A1322 VanDerWaalsContact O-N 3.12Å |
| 1319 | F | 85.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 174.9 | -173.9 | -82.6 | 0 | 0 | 0 | 112 | F1209 L1211 F1252 F1255 T1256 C1259 F1315 H1316 H1317 E1321 A1322 Y1323 | F1209-F1319 HydrophobicContact CE1-CB 4.37Å; F1209-F1319 HydrophobicContact CE1-CD2 4.25Å; F1209-F1319 HydrophobicContact CE2-CD2 4.15Å; F1209-F1319 HydrophobicContact CE2-CE2 4.29Å; F1209-F1319 HydrophobicContact CZ-CB 4.17Å; F1209-F1319 AromaticContact CZ-CD2 3.41Å; F1209-F1319 HydrophobicContact CZ-CD2 3.41Å; F1209-F1319 VanDerWaalsContact CZ-CD2 3.41Å; F1209-F1319 AromaticContact CZ-CE2 3.98Å; F1209-F1319 HydrophobicContact CZ-CE2 3.98Å; F1209-F1319 AromaticContact CZ-CG 3.93Å; F1209-F1319 HydrophobicContact CZ-CG 3.93Å; L1211-F1319 HydrophobicContact CD2-CE1 4.47Å; L1211-F1319 HydrophobicContact CD2-CZ 4.01Å; F1252-F1319 HydrophobicContact CE1-CE1 4.42Å; F1252-F1319 HydrophobicContact CZ-CE1 4.04Å; F1252-F1319 HydrophobicContact CZ-CZ 4.27Å; F1255-F1319 AromaticContact CD1-CZ 3.94Å; F1255-F1319 HydrophobicContact CD1-CZ 3.94Å; F1255-F1319 AromaticContact CE1-CE2 3.98Å; F1255-F1319 HydrophobicContact CE1-CE2 3.98Å; F1255-F1319 AromaticContact CE1-CZ 3.66Å; F1255-F1319 HydrophobicContact CE1-CZ 3.66Å; T1256-F1319 HydrophobicContact CG2-CD1 4.1Å; T1256-F1319 HydrophobicContact CG2-CE1 3.9Å; T1256-F1319 HydrophobicContact CG2-CZ 4.4Å; C1259-F1319 HydrophobicContact CB-CD2 4.41Å; C1259-F1319 HydrophobicContact CB-CE2 4.07Å; F1315-F1319 HydrophobicContact CE1-CD2 4.39Å; F1315-F1319 HydrophobicContact CZ-CD2 4.13Å; F1315-F1319 WeakPolarHBondContact O-CB 3.43Å; F1315-F1319 PolarHBondContact O-N 3.11Å; H1316-F1319 PolarHBondContact O-N 2.7Å; H1317-F1319 VanDerWaalsContact C-N 3.32Å; H1317-F1319 PolarHBondContact O-N 3.39Å; F1319-E1321 VanDerWaalsContact C-N 3.32Å; F1319-E1321 PolarHBondContact O-N 3.27Å; F1319-A1322 PolarHBondContact O-N 2.99Å; F1319-Y1323 PolarHBondContact O-N 2.98Å |
| 1320 | N | 82.8 | Confident | 79.1 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 177.2 | -71.7 | -27.7 | 0 | 0 | 0 | 112 | H1316 H1317 Y1323 S1324 | H1316-N1320 WeakPolarHBondContact O-CB 3.42Å; H1316-N1320 VanDerWaalsContact O-CG 3.24Å; H1316-N1320 PolarHBondContact O-N 2.97Å; H1316-N1320 PolarHBondContact O-ND2 3.01Å; H1317-N1320 PolarHBondContact O-N 3.38Å; N1320-Y1323 PolarHBondContact O-N 3.48Å; N1320-S1324 WeakPolarHBondContact O-CB 3.14Å; N1320-S1324 PolarHBondContact O-N 3.31Å; N1320-S1324 PolarHBondContact O-OG 3.02Å |
| 1321 | E | 79.6 | Confident | 77.4 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 171.7 | -172.3 | -177.7 | 176.2 | 0 | 0 | 111.2 | H1317 K1318 F1319 S1324 G1325 | H1317-E1321 PolarHBondContact O-N 2.81Å; K1318-E1321 IonicContact NZ-OE2 3.99Å; K1318-E1321 PolarHBondContact NZ-OE2 2.87Å; K1318-E1321 PolarHBondContact O-N 3.46Å; F1319-E1321 VanDerWaalsContact C-N 3.32Å; F1319-E1321 PolarHBondContact O-N 3.27Å; E1321-S1324 PolarHBondContact O-N 2.68Å; E1321-G1325 PolarHBondContact O-N 3.01Å |
| 1322 | A | 75.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1208 F1209 K1318 F1319 G1325 A1326 | P1208-A1322 HydrophobicContact CG-CB 4.19Å; F1209-A1322 HydrophobicContact CD1-CB 3.93Å; F1209-A1322 HydrophobicContact CD2-CB 4.28Å; F1209-A1322 HydrophobicContact CE1-CB 3.5Å; F1209-A1322 VanDerWaalsContact CE1-CB 3.5Å; F1209-A1322 HydrophobicContact CE2-CB 3.89Å; F1209-A1322 HydrophobicContact CG-CB 4.29Å; F1209-A1322 HydrophobicContact CZ-CB 3.46Å; F1209-A1322 VanDerWaalsContact CZ-CB 3.46Å; K1318-A1322 PolarHBondContact O-N 2.91Å; K1318-A1322 VanDerWaalsContact O-N 3.12Å; F1319-A1322 PolarHBondContact O-N 2.99Å; A1322-G1325 CarbonylContact O-C 3.34Å; A1322-G1325 WeakPolarHBondContact O-CA 3.44Å; A1322-G1325 PolarHBondContact O-N 2.8Å; A1322-A1326 PolarHBondContact O-N 3.22Å; A1322-A1326 VanDerWaalsContact O-N 3.08Å |
| 1323 | Y | 74.6 | Confident | 74.7 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.7 | 178.9 | -102.3 | 0 | 0 | 0 | 112.2 | L1211 I1216 G1227 F1252 F1319 N1320 G1325 A1326 | L1211-Y1323 HydrophobicContact CD2-CD2 4.19Å; I1216-Y1323 HydrophobicContact CD1-CD2 3.79Å; I1216-Y1323 HydrophobicContact CD1-CE2 3.53Å; I1216-Y1323 HydrophobicContact CG1-CE2 4.26Å; G1227-Y1323 PolarHBondContact O-OH 3.31Å; F1252-Y1323 HydrophobicContact CD1-CE2 4.38Å; F1252-Y1323 AromaticContact CE1-CD2 3.76Å; F1252-Y1323 HydrophobicContact CE1-CD2 3.76Å; F1252-Y1323 AromaticContact CE1-CE2 3.58Å; F1252-Y1323 HydrophobicContact CE1-CE2 3.58Å; F1252-Y1323 HydrophobicContact CE1-CG 4.38Å; F1252-Y1323 HydrophobicContact CE2-CD2 4.1Å; F1252-Y1323 AromaticContact CE2-CE2 3.96Å; F1252-Y1323 HydrophobicContact CE2-CE2 3.96Å; F1252-Y1323 AromaticContact CZ-CD2 3.27Å; F1252-Y1323 HydrophobicContact CZ-CD2 3.27Å; F1252-Y1323 AromaticContact CZ-CE2 3.34Å; F1252-Y1323 HydrophobicContact CZ-CE2 3.34Å; F1252-Y1323 HydrophobicContact CZ-CG 4.15Å; F1319-Y1323 PolarHBondContact O-N 2.98Å; N1320-Y1323 PolarHBondContact O-N 3.48Å; Y1323-G1325 PolarHBondContact O-N 2.85Å; Y1323-A1326 WeakPolarHBondContact O-CB 3.26Å; Y1323-A1326 PolarHBondContact O-N 3.05Å |
| 1324 | S | 72.6 | Confident | 73.1 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61 | -36.2 | 175.2 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | N1320 E1321 A1326 | N1320-S1324 WeakPolarHBondContact O-CB 3.14Å; N1320-S1324 PolarHBondContact O-N 3.31Å; N1320-S1324 PolarHBondContact O-OG 3.02Å; E1321-S1324 PolarHBondContact O-N 2.68Å; S1324-A1326 VanDerWaalsContact C-N 3.31Å; S1324-A1326 PolarHBondContact O-N 3.09Å |
| 1325 | G | 68.3 | Low | 71.6 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1321 A1322 Y1323 W1327 T1328 T1329 | E1321-G1325 PolarHBondContact O-N 3.01Å; A1322-G1325 CarbonylContact O-C 3.34Å; A1322-G1325 WeakPolarHBondContact O-CA 3.44Å; A1322-G1325 PolarHBondContact O-N 2.8Å; Y1323-G1325 PolarHBondContact O-N 2.85Å; G1325-W1327 PolarHBondContact O-N 3.45Å; G1325-T1328 WeakPolarHBondContact CA-OG1 3.48Å; G1325-T1328 WeakPolarHBondContact O-CA 3.43Å; G1325-T1328 PolarHBondContact O-N 2.9Å; G1325-T1328 PolarHBondContact O-OG1 3.25Å; G1325-T1329 PolarHBondContact O-N 3.4Å; G1325-T1329 PolarHBondContact O-OG1 2.83Å; G1325-T1329 VanDerWaalsContact O-OG1 3.14Å |
| 1326 | A | 61.2 | Low | 69.9 | Low | 7 Ų | 7 | 56 Ų | 56 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.9 | -33 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1211 I1216 A1322 Y1323 S1324 K1330 | L1211-A1326 WeakPolarHBondContact O-CB 3.31Å; I1216-A1326 HydrophobicContact CD1-CB 4.27Å; A1322-A1326 PolarHBondContact O-N 3.22Å; A1322-A1326 VanDerWaalsContact O-N 3.08Å; Y1323-A1326 WeakPolarHBondContact O-CB 3.26Å; Y1323-A1326 PolarHBondContact O-N 3.05Å; S1324-A1326 VanDerWaalsContact C-N 3.31Å; S1324-A1326 PolarHBondContact O-N 3.09Å; A1326-K1330 PolarHBondContact O-N 2.98Å; A1326-K1330 VanDerWaalsContact O-N 3.11Å |
| 1327 | W | 55.9 | Low | 68.6 | Low | 180 Ų | 180 | 56.7 Ų | 56.7 | 68% | 0.682 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70 | -42.5 | 175.6 | -130.7 | 87.5 | 0 | 0 | 0 | 111.9 | G1325 K1330 I1331 | G1325-W1327 PolarHBondContact O-N 3.45Å; W1327-K1330 PolarHBondContact O-N 3.39Å; W1327-I1331 HydrophobicContact CE3-CD1 3.75Å; W1327-I1331 HydrophobicContact CE3-CG1 4.27Å; W1327-I1331 HydrophobicContact CZ3-CD1 3.87Å; W1327-I1331 HydrophobicContact CZ3-CG1 4.39Å; W1327-I1331 PolarHBondContact O-N 2.88Å |
| 1328 | T | 59.8 | Low | 67.1 | Low | 77 Ų | 77 | 56.7 Ų | 56.7 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 174.8 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | G1325 K1330 I1331 D1332 | G1325-T1328 WeakPolarHBondContact CA-OG1 3.48Å; G1325-T1328 WeakPolarHBondContact O-CA 3.43Å; G1325-T1328 PolarHBondContact O-N 2.9Å; G1325-T1328 PolarHBondContact O-OG1 3.25Å; T1328-K1330 VanDerWaalsContact C-N 3.27Å; T1328-K1330 PolarHBondContact O-N 2.83Å; T1328-I1331 WeakPolarHBondContact O-CB 3.34Å; T1328-I1331 PolarHBondContact O-N 2.89Å; T1328-I1331 VanDerWaalsContact O-N 3.07Å; T1328-D1332 PolarHBondContact O-N 3.47Å |
| 1329 | T | 62.1 | Low | 65.5 | Low | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -36.4 | 175.6 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | V1210 T1212 G1325 D1332 W1333 | V1210-T1329 HydrophobicContact CG1-CG2 4.02Å; V1210-T1329 HydrophobicContact CG2-CG2 4.26Å; T1212-T1329 HydrophobicContact CG2-CG2 4.05Å; G1325-T1329 PolarHBondContact O-N 3.4Å; G1325-T1329 PolarHBondContact O-OG1 2.83Å; G1325-T1329 VanDerWaalsContact O-OG1 3.14Å; T1329-D1332 PolarHBondContact O-N 3.4Å; T1329-W1333 WeakPolarHBondContact O-CB 3.37Å; T1329-W1333 VanDerWaalsContact O-CG 3.25Å; T1329-W1333 PolarHBondContact O-N 3.08Å |
| 1330 | K | 61.8 | Low | 63.8 | Low | 37 Ų | 37 | 65 Ų | 65 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 174.7 | -172.2 | 168.9 | -179 | 159.8 | 0 | 112.6 | I1114 S1116 K1213 D1214 A1326 W1327 T1328 W1333 F1334 | I1114-K1330 PolarHBondContact O-NZ 3.21Å; S1116-K1330 PolarHBondContact OG-NZ 3.44Å; K1213-K1330 HydrophobicContact CB-CD 4.48Å; D1214-K1330 IonicContact OD1-NZ 3.76Å; D1214-K1330 PolarHBondContact OD1-NZ 2.98Å; D1214-K1330 VanDerWaalsContact OD1-NZ 3.13Å; A1326-K1330 PolarHBondContact O-N 2.98Å; A1326-K1330 VanDerWaalsContact O-N 3.11Å; W1327-K1330 PolarHBondContact O-N 3.39Å; T1328-K1330 VanDerWaalsContact C-N 3.27Å; T1328-K1330 PolarHBondContact O-N 2.83Å; K1330-W1333 WeakPolarHBondContact O-CB 3.41Å; K1330-W1333 PolarHBondContact O-N 3.46Å; K1330-F1334 PolarHBondContact O-N 3.02Å |
| 1331 | I | 59.1 | Low | 62.8 | Low | 87 Ų | 87 | 64 Ų | 64 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 173.3 | -64.4 | 168.2 | 0 | 0 | 0 | 110.2 | W1327 T1328 W1333 F1334 S1335 | W1327-I1331 HydrophobicContact CE3-CD1 3.75Å; W1327-I1331 HydrophobicContact CE3-CG1 4.27Å; W1327-I1331 HydrophobicContact CZ3-CD1 3.87Å; W1327-I1331 HydrophobicContact CZ3-CG1 4.39Å; W1327-I1331 PolarHBondContact O-N 2.88Å; T1328-I1331 WeakPolarHBondContact O-CB 3.34Å; T1328-I1331 PolarHBondContact O-N 2.89Å; T1328-I1331 VanDerWaalsContact O-N 3.07Å; I1331-W1333 VanDerWaalsContact C-N 3.31Å; I1331-W1333 PolarHBondContact O-N 3.3Å; I1331-F1334 WeakPolarHBondContact O-CB 3.35Å; I1331-F1334 PolarHBondContact O-N 2.79Å; I1331-S1335 PolarHBondContact O-N 3.15Å |
| 1332 | D | 61.9 | Low | 61.9 | Low | 78 Ų | 78 | 63.3 Ų | 63.3 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 175.7 | -69.8 | -26.9 | 0 | 0 | 0 | 111.3 | T1328 T1329 S1335 H1336 | T1328-D1332 PolarHBondContact O-N 3.47Å; T1329-D1332 PolarHBondContact O-N 3.4Å; D1332-S1335 WeakPolarHBondContact O-CB 3.08Å; D1332-S1335 PolarHBondContact O-N 2.87Å; D1332-H1336 PolarHBondContact O-N 3.5Å |
| 1333 | W | 66.9 | Low | 61.2 | Low | 14 Ų | 14 | 66.8 Ų | 66.8 | 5% | 0.053 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 172.7 | -76.2 | 13.3 | 0 | 0 | 0 | 112.3 | V1100 R1171 P1173 I1176 V1210 T1212 F1215 T1329 K1330 I1331 H1336 W1337 | V1100-W1333 HydrophobicContact CG1-CZ3 4.34Å; R1171-W1333 PolarHBondContact O-NE1 2.97Å; P1173-W1333 HydrophobicContact CB-CE3 4.48Å; P1173-W1333 HydrophobicContact CG-CB 3.97Å; P1173-W1333 HydrophobicContact CG-CD2 3.39Å; P1173-W1333 HydrophobicContact CG-CE3 3.32Å; P1173-W1333 HydrophobicContact CG-CG 3.75Å; P1173-W1333 HydrophobicContact CG-CH2 4.17Å; P1173-W1333 HydrophobicContact CG-CZ2 4.28Å; P1173-W1333 HydrophobicContact CG-CZ3 3.74Å; I1176-W1333 HydrophobicContact CD1-CH2 4.13Å; I1176-W1333 HydrophobicContact CD1-CZ2 3.8Å; V1210-W1333 HydrophobicContact CG1-CH2 4.39Å; V1210-W1333 HydrophobicContact CG1-CZ2 3.47Å; V1210-W1333 VanDerWaalsContact CG1-CZ2 3.47Å; T1212-W1333 HydrophobicContact CG2-CD2 3.79Å; T1212-W1333 HydrophobicContact CG2-CE3 3.67Å; T1212-W1333 HydrophobicContact CG2-CH2 3.37Å; T1212-W1333 HydrophobicContact CG2-CZ2 3.43Å; T1212-W1333 VanDerWaalsContact CG2-CZ2 3.43Å; T1212-W1333 HydrophobicContact CG2-CZ3 3.47Å; T1212-W1333 VanDerWaalsContact CG2-CZ3 3.47Å; T1212-W1333 WeakPolarHBondContact OG1-CZ3 3.45Å; F1215-W1333 HydrophobicContact CE1-CH2 4.16Å; F1215-W1333 AromaticContact CE2-CH2 3.91Å; F1215-W1333 HydrophobicContact CE2-CH2 3.91Å; F1215-W1333 HydrophobicContact CE2-CZ2 4.49Å; F1215-W1333 AromaticContact CZ-CH2 3.53Å; F1215-W1333 HydrophobicContact CZ-CH2 3.53Å; F1215-W1333 HydrophobicContact CZ-CZ2 4.39Å; F1215-W1333 HydrophobicContact CZ-CZ3 4.39Å; T1329-W1333 WeakPolarHBondContact O-CB 3.37Å; T1329-W1333 VanDerWaalsContact O-CG 3.25Å; T1329-W1333 PolarHBondContact O-N 3.08Å; K1330-W1333 WeakPolarHBondContact O-CB 3.41Å; K1330-W1333 PolarHBondContact O-N 3.46Å; I1331-W1333 VanDerWaalsContact C-N 3.31Å; I1331-W1333 PolarHBondContact O-N 3.3Å; W1333-H1336 WeakPolarHBondContact O-CB 3.48Å; W1333-H1336 PolarHBondContact O-N 3.1Å; W1333-W1337 WeakPolarHBondContact O-CB 2.91Å; W1333-W1337 PolarHBondContact O-N 2.97Å |
| 1334 | F | 58.8 | Low | 60.4 | Low | 59 Ų | 59 | 67.2 Ų | 67.2 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 174.4 | -179.9 | -110.3 | 0 | 0 | 0 | 112 | I1114 K1330 I1331 H1336 W1337 M1338 | I1114-F1334 HydrophobicContact CD1-CD2 3.53Å; I1114-F1334 HydrophobicContact CD1-CE2 4.23Å; I1114-F1334 HydrophobicContact CD1-CG 4.49Å; I1114-F1334 HydrophobicContact CG1-CD2 4.22Å; K1330-F1334 PolarHBondContact O-N 3.02Å; I1331-F1334 WeakPolarHBondContact O-CB 3.35Å; I1331-F1334 PolarHBondContact O-N 2.79Å; F1334-H1336 VanDerWaalsContact C-N 3.32Å; F1334-W1337 AromaticContact CD2-CE3 3.94Å; F1334-W1337 HydrophobicContact CD2-CE3 3.94Å; F1334-W1337 HydrophobicContact CD2-CZ3 4.46Å; F1334-W1337 AromaticContact CE2-CE3 3.79Å; F1334-W1337 HydrophobicContact CE2-CE3 3.79Å; F1334-W1337 AromaticContact CE2-CZ3 3.86Å; F1334-W1337 HydrophobicContact CE2-CZ3 3.86Å; F1334-W1337 PolarHBondContact O-N 3.24Å; F1334-M1338 HydrophobicContact CD1-CE 3.86Å; F1334-M1338 HydrophobicContact CE1-CE 3.35Å; F1334-M1338 HydrophobicContact CE1-CG 4.44Å; F1334-M1338 HydrophobicContact CE1-SD 4Å; F1334-M1338 HydrophobicContact CZ-CE 3.99Å; F1334-M1338 HydrophobicContact CZ-CG 4.3Å; F1334-M1338 HydrophobicContact CZ-SD 4.01Å; F1334-M1338 PolarHBondContact O-N 3.29Å |
| 1335 | S | 60.9 | Low | 59.6 | Low | 54 Ų | 54 | 65.4 Ų | 65.4 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 173.6 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | I1331 D1332 M1338 N1339 | I1331-S1335 PolarHBondContact O-N 3.15Å; D1332-S1335 WeakPolarHBondContact O-CB 3.08Å; D1332-S1335 PolarHBondContact O-N 2.87Å; S1335-M1338 PolarHBondContact O-N 3.44Å; S1335-N1339 PolarHBondContact O-N 2.7Å; S1335-N1339 PolarHBondContact O-ND2 3.21Å |
| 1336 | H | 57.1 | Low | 59 | Low | 27 Ų | 27 | 69.2 Ų | 69.2 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.8 | -153 | -76.8 | 0 | 0 | 0 | 110.8 | H1172 D1174 R1204 D1332 W1333 F1334 M1338 N1339 T1340 | H1172-H1336 AromaticContact CD2-NE2 3.94Å; H1172-H1336 AromaticContact CE1-CE1 3.65Å; H1172-H1336 AromaticContact CG-CE1 3.94Å; H1172-H1336 AromaticContact CG-ND1 3.98Å; H1172-H1336 AromaticContact ND1-CE1 3.67Å; H1172-H1336 AromaticContact ND1-ND1 3.72Å; H1172-H1336 AromaticContact NE2-CE1 3.86Å; D1174-H1336 IonicContact OD2-ND1 3.51Å; R1204-H1336 PolarHBondContact NH1-NE2 2.95Å; D1332-H1336 PolarHBondContact O-N 3.5Å; W1333-H1336 WeakPolarHBondContact O-CB 3.48Å; W1333-H1336 PolarHBondContact O-N 3.1Å; F1334-H1336 VanDerWaalsContact C-N 3.32Å; H1336-M1338 VanDerWaalsContact C-N 3.32Å; H1336-M1338 PolarHBondContact O-N 3.38Å; H1336-N1339 PolarHBondContact O-N 2.85Å; H1336-T1340 PolarHBondContact O-N 3.4Å; H1336-T1340 VanDerWaalsContact O-N 3.13Å; H1336-T1340 PolarHBondContact O-OG1 2.97Å |
| 1337 | W | 60.4 | Low | 58.9 | Low | 68 Ų | 68 | 73.6 Ų | 73.6 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.2 | -40 | 177 | -178 | 57.8 | 0 | 0 | 0 | 113.3 | M1101 L1108 W1333 F1334 N1339 T1340 | M1101-W1337 HydrophobicContact CE-CB 3.64Å; M1101-W1337 HydrophobicContact CE-CG 3.97Å; M1101-W1337 HydrophobicContact SD-CB 4.03Å; M1101-W1337 HydrophobicContact SD-CG 3.77Å; L1108-W1337 HydrophobicContact CD1-CH2 3.9Å; L1108-W1337 HydrophobicContact CD1-CZ2 3.8Å; L1108-W1337 HydrophobicContact CD2-CH2 3.45Å; L1108-W1337 VanDerWaalsContact CD2-CH2 3.45Å; L1108-W1337 HydrophobicContact CD2-CZ2 3.96Å; L1108-W1337 HydrophobicContact CD2-CZ3 4.44Å; L1108-W1337 HydrophobicContact CG-CH2 4.32Å; W1333-W1337 WeakPolarHBondContact O-CB 2.91Å; W1333-W1337 PolarHBondContact O-N 2.97Å; F1334-W1337 AromaticContact CD2-CE3 3.94Å; F1334-W1337 HydrophobicContact CD2-CE3 3.94Å; F1334-W1337 HydrophobicContact CD2-CZ3 4.46Å; F1334-W1337 AromaticContact CE2-CE3 3.79Å; F1334-W1337 HydrophobicContact CE2-CE3 3.79Å; F1334-W1337 AromaticContact CE2-CZ3 3.86Å; F1334-W1337 HydrophobicContact CE2-CZ3 3.86Å; F1334-W1337 PolarHBondContact O-N 3.24Å; W1337-N1339 PolarHBondContact O-N 3.13Å; W1337-T1340 WeakPolarHBondContact CA-OG1 3.39Å; W1337-T1340 PolarHBondContact O-OG1 2.95Å; W1337-T1340 VanDerWaalsContact O-OG1 3.07Å; W1337-T1340 VanDerWaalsContact O-OXT 3.1Å |
| 1338 | M | 58.2 | Low | 59.1 | Low | 120 Ų | 120 | 65.5 Ų | 65.5 | 59% | 0.591 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.6 | -16.5 | 176.5 | -76.3 | -156 | -72.9 | 0 | 0 | 114.1 | F1334 S1335 H1336 | F1334-M1338 HydrophobicContact CD1-CE 3.86Å; F1334-M1338 HydrophobicContact CE1-CE 3.35Å; F1334-M1338 HydrophobicContact CE1-CG 4.44Å; F1334-M1338 HydrophobicContact CE1-SD 4Å; F1334-M1338 HydrophobicContact CZ-CE 3.99Å; F1334-M1338 HydrophobicContact CZ-CG 4.3Å; F1334-M1338 HydrophobicContact CZ-SD 4.01Å; F1334-M1338 PolarHBondContact O-N 3.29Å; S1335-M1338 PolarHBondContact O-N 3.44Å; H1336-M1338 VanDerWaalsContact C-N 3.32Å; H1336-M1338 PolarHBondContact O-N 3.38Å |
| 1339 | N | 53.4 | Low | 59.1 | Low | 104 Ų | 104 | 64.5 Ų | 64.5 | 56% | 0.556 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -101 | -13.2 | -178.3 | -73.7 | -55.5 | 0 | 0 | 0 | 113.8 | S1335 H1336 W1337 | S1335-N1339 PolarHBondContact O-N 2.7Å; S1335-N1339 PolarHBondContact O-ND2 3.21Å; H1336-N1339 PolarHBondContact O-N 2.85Å; W1337-N1339 PolarHBondContact O-N 3.13Å |
| 1340 | T | 48.4 | Very low | 58.8 | Low | 121 Ų | 121 | 69.9 Ų | 69.9 | 74% | 0.742 | 36% | 0.362 | S | S | * | . | trans | -97.2 | 0 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | H1336 W1337 | H1336-T1340 PolarHBondContact O-N 3.4Å; H1336-T1340 VanDerWaalsContact O-N 3.13Å; H1336-T1340 PolarHBondContact O-OG1 2.97Å; W1337-T1340 WeakPolarHBondContact CA-OG1 3.39Å; W1337-T1340 PolarHBondContact O-OG1 2.95Å; W1337-T1340 VanDerWaalsContact O-OG1 3.07Å; W1337-T1340 VanDerWaalsContact O-OXT 3.1Å |
Retrieved 1,340 of 1,340 residues in 2589.4 ms
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