| 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 | 47.9 | Very low | 87.9 | Confident | 217 Ų | 217 | 77.5 Ų | 77.5 | 100% | 1.069 | 40% | 0.4 | S | S | * | . | 0 | 155.7 | 0 | -77.1 | -177 | -97.2 | 0 | 0 | 107.9 | |||||
| 2 | G | 73.4 | Confident | 88.5 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | trans | 120.2 | 179.2 | -159.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | H4 | G2-H4 PolarHBondContact O-N 3.27Š| ||
| 3 | L | 90.4 | Very high | 89 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -50.3 | 135.1 | -172.7 | -57 | 177.4 | 0 | 0 | 0 | 113.4 | Q7 K8 L36 L80 I83 Y87 | L3-Q7 HydrophobicContact CB-CB 4.46Å; L3-K8 HydrophobicContact CB-CD 4.48Å; L3-K8 HydrophobicContact CB-CG 3.98Å; L3-K8 WeakPolarHBondContact O-CE 3.34Å; L3-L36 HydrophobicContact CD1-CD1 3.9Å; L3-L36 HydrophobicContact CD2-CB 4.08Å; L3-L36 HydrophobicContact CD2-CD1 3.83Å; L3-L36 HydrophobicContact CD2-CD2 4.12Å; L3-L36 HydrophobicContact CD2-CG 4.23Å; L3-L80 HydrophobicContact CD1-CD1 4.44Å; L3-I83 HydrophobicContact CD1-CG2 4.43Å; L3-Y87 HydrophobicContact CD2-CD1 4.06Å; L3-Y87 HydrophobicContact CD2-CD2 3.57Å; L3-Y87 HydrophobicContact CD2-CE1 4.01Å; L3-Y87 HydrophobicContact CD2-CE2 3.46Å; L3-Y87 VanDerWaalsContact CD2-CE2 3.46Å; L3-Y87 HydrophobicContact CD2-CG 3.85Å; L3-Y87 HydrophobicContact CG-CD1 4.26Å; L3-Y87 HydrophobicContact CG-CD2 4.41Å; L3-Y87 HydrophobicContact CG-CE1 4.48Å; L3-Y87 HydrophobicContact CG-CG 4.21Å |
| 4 | H | 90.4 | Very high | 89.2 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | trans | -67.2 | 154.6 | -178.6 | -72.3 | -96.9 | 0 | 0 | 0 | 112.2 | G2 S6 Q7 K8 | G2-H4 PolarHBondContact O-N 3.27Å; H4-S6 PolarHBondContact O-N 3.38Å; H4-S6 VanDerWaalsContact O-N 3.11Å; H4-Q7 PolarHBondContact CD2-OE1 3.11Å; H4-Q7 PolarHBondContact O-N 3.07Å; H4-Q7 VanDerWaalsContact O-N 3.14Å; H4-K8 WeakPolarHBondContact O-CG 3.42Å; H4-K8 PolarHBondContact O-N 3.09Å | ||
| 5 | S | 91.9 | Very high | 89.4 | Confident | 98 Ų | 98 | 69.3 Ų | 69.3 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.5 | 176.6 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | K9 | S5-K9 WeakPolarHBondContact O-CD 3.39Å; S5-K9 WeakPolarHBondContact O-CE 3.41Å; S5-K9 WeakPolarHBondContact O-CG 3.34Å |
| 6 | S | 93.1 | Very high | 89.7 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -56.3 | 165.4 | 44.5 | 0 | 0 | 0 | 0 | 111.3 | H4 K8 K9 | H4-S6 PolarHBondContact O-N 3.38Å; H4-S6 VanDerWaalsContact O-N 3.11Å; S6-K8 VanDerWaalsContact C-N 3.29Å; S6-K8 PolarHBondContact O-N 3.45Å; S6-K9 WeakPolarHBondContact O-CB 3.29Å; S6-K9 PolarHBondContact O-N 3.39Å; S6-K9 VanDerWaalsContact O-N 3.14Å |
| 7 | Q | 95.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -52.3 | -45.5 | 176.1 | -76.1 | 161.3 | -30.6 | 0 | 0 | 112.1 | L3 H4 K9 F10 F11 E26 D33 L36 | L3-Q7 HydrophobicContact CB-CB 4.46Å; H4-Q7 PolarHBondContact CD2-OE1 3.11Å; H4-Q7 PolarHBondContact O-N 3.07Å; H4-Q7 VanDerWaalsContact O-N 3.14Å; Q7-K9 PolarHBondContact O-N 3.02Å; Q7-K9 VanDerWaalsContact O-N 3.09Å; Q7-F10 PolarHBondContact O-N 3.26Å; Q7-F11 WeakPolarHBondContact O-CD2 3.45Å; Q7-E26 WeakPolarHBondContact CG-OE1 3.19Å; Q7-E26 PolarHBondContact NE2-OE2 2.92Å; Q7-D33 PolarHBondContact NE2-OD2 2.99Å; Q7-L36 HydrophobicContact CB-CD2 4.03Å; Q7-L36 HydrophobicContact CG-CD2 3.65Å |
| 8 | K | 95.8 | Very high | 90.4 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -62.7 | -17.1 | -177.4 | -69.8 | -172.4 | 169.9 | -179 | 0 | 114.7 | L3 H4 S6 L80 | L3-K8 HydrophobicContact CB-CD 4.48Å; L3-K8 HydrophobicContact CB-CG 3.98Å; L3-K8 WeakPolarHBondContact O-CE 3.34Å; H4-K8 WeakPolarHBondContact O-CG 3.42Å; H4-K8 PolarHBondContact O-N 3.09Å; S6-K8 VanDerWaalsContact C-N 3.29Å; S6-K8 PolarHBondContact O-N 3.45Å; K8-L80 HydrophobicContact CB-CD1 4.38Å; K8-L80 HydrophobicContact CB-CD2 4.11Å; K8-L80 HydrophobicContact CD-CD2 4.37Å; K8-L80 HydrophobicContact CG-CD1 4.01Å; K8-L80 HydrophobicContact CG-CD2 4.21Å |
| 9 | K | 96.1 | Very high | 90.8 | Very high | 174 Ų | 174 | 60.3 Ų | 60.3 | 76% | 0.757 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -78.2 | -20 | -178.7 | -73.2 | 171.4 | -180 | -173.7 | 0 | 114.6 | S5 S6 Q7 F11 | S5-K9 WeakPolarHBondContact O-CD 3.39Å; S5-K9 WeakPolarHBondContact O-CE 3.41Å; S5-K9 WeakPolarHBondContact O-CG 3.34Å; S6-K9 WeakPolarHBondContact O-CB 3.29Å; S6-K9 PolarHBondContact O-N 3.39Å; S6-K9 VanDerWaalsContact O-N 3.14Å; Q7-K9 PolarHBondContact O-N 3.02Å; Q7-K9 VanDerWaalsContact O-N 3.09Å; K9-F11 VanDerWaalsContact C-N 3.27Å |
| 10 | F | 96.5 | Very high | 91.2 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -75.5 | -20.2 | 177.8 | -67.9 | -85.2 | 0 | 0 | 0 | 112.3 | Q7 P12 L13 Q21 L22 S25 | Q7-F10 PolarHBondContact O-N 3.26Å; F10-P12 CarbonylContact O-C 3.19Å; F10-L13 HydrophobicContact CB-CD2 3.75Å; F10-L13 WeakPolarHBondContact O-CD2 3.47Å; F10-Q21 HydrophobicContact CD1-CB 4.3Å; F10-Q21 HydrophobicContact CE1-CB 4.28Å; F10-L22 HydrophobicContact CB-CB 4.47Å; F10-L22 HydrophobicContact CB-CD1 4.23Å; F10-L22 HydrophobicContact CD2-CD1 3.92Å; F10-L22 HydrophobicContact CG-CB 4.45Å; F10-L22 HydrophobicContact CG-CD1 4.11Å; F10-S25 WeakPolarHBondContact CE2-OG 3.46Å; F10-S25 WeakPolarHBondContact CZ-OG 3.5Å |
| 11 | F | 96 | Very high | 91.6 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 143.5 | -173.5 | -67.3 | -96.9 | 0 | 0 | 0 | 112.4 | Q7 K9 L13 L22 L36 V40 V78 L80 I83 | Q7-F11 WeakPolarHBondContact O-CD2 3.45Å; K9-F11 VanDerWaalsContact C-N 3.27Å; F11-L13 HydrophobicContact CD1-CD1 4.44Å; F11-L13 HydrophobicContact CD1-CD2 4.42Å; F11-L13 HydrophobicContact CD1-CG 3.95Å; F11-L13 HydrophobicContact CE1-CD1 3.8Å; F11-L13 HydrophobicContact CE1-CD2 4.36Å; F11-L13 HydrophobicContact CE1-CG 3.81Å; F11-L13 HydrophobicContact CG-CD2 4.48Å; F11-L13 HydrophobicContact CG-CG 4.48Å; F11-L13 HydrophobicContact CZ-CD1 4.03Å; F11-L13 HydrophobicContact CZ-CD2 4.4Å; F11-L13 HydrophobicContact CZ-CG 4.25Å; F11-L22 HydrophobicContact CE2-CD2 4.12Å; F11-L22 HydrophobicContact CZ-CD2 3.87Å; F11-L36 HydrophobicContact CE2-CD1 4.37Å; F11-L36 HydrophobicContact CZ-CD1 3.96Å; F11-V40 HydrophobicContact CE1-CG2 4.33Å; F11-V40 HydrophobicContact CZ-CG2 4.09Å; F11-V78 HydrophobicContact CD1-CG1 4.49Å; F11-V78 WeakPolarHBondContact CD1-O 3.16Å; F11-V78 HydrophobicContact CE1-CG1 3.99Å; F11-L80 HydrophobicContact CB-CB 3.62Å; F11-L80 HydrophobicContact CB-CD1 3.97Å; F11-L80 HydrophobicContact CB-CG 4.23Å; F11-L80 HydrophobicContact CD1-CB 4.44Å; F11-L80 HydrophobicContact CD1-CD1 4.31Å; F11-L80 HydrophobicContact CD2-CD1 3.85Å; F11-L80 HydrophobicContact CE2-CD1 4.49Å; F11-L80 HydrophobicContact CG-CB 4.14Å; F11-L80 HydrophobicContact CG-CD1 3.76Å; F11-I83 HydrophobicContact CE1-CB 4.16Å; F11-I83 HydrophobicContact CE1-CG1 4Å; F11-I83 HydrophobicContact CE1-CG2 4.33Å; F11-I83 HydrophobicContact CZ-CG2 4.32Å |
| 12 | P | 95.2 | Very high | 94 | Very high | 42 Ų | 42 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | S | Bend | cis | -74.5 | 136.4 | 1.2 | 29.4 | -34.6 | 0 | 0 | 0 | 113.1 | F10 T77 V78 | F10-P12 CarbonylContact O-C 3.19Å; P12-T77 HydrophobicContact CB-CG2 3.8Å; P12-V78 VanDerWaalsContact CA-O 3.26Å; P12-V78 WeakPolarHBondContact CA-O 3.45Å |
| 13 | L | 95 | Very high | 95.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 130.6 | 174.9 | -43.5 | 171.6 | 0 | 0 | 0 | 108.6 | F10 F11 V19 L22 V40 V78 | F10-L13 HydrophobicContact CB-CD2 3.75Å; F10-L13 WeakPolarHBondContact O-CD2 3.47Å; F11-L13 HydrophobicContact CD1-CD1 4.44Å; F11-L13 HydrophobicContact CD1-CD2 4.42Å; F11-L13 HydrophobicContact CD1-CG 3.95Å; F11-L13 HydrophobicContact CE1-CD1 3.8Å; F11-L13 HydrophobicContact CE1-CD2 4.36Å; F11-L13 HydrophobicContact CE1-CG 3.81Å; F11-L13 HydrophobicContact CG-CD2 4.48Å; F11-L13 HydrophobicContact CG-CG 4.48Å; F11-L13 HydrophobicContact CZ-CD1 4.03Å; F11-L13 HydrophobicContact CZ-CD2 4.4Å; F11-L13 HydrophobicContact CZ-CG 4.25Å; L13-V19 HydrophobicContact CB-CG2 4.46Å; L13-V19 HydrophobicContact CD1-CG2 4.28Å; L13-L22 HydrophobicContact CD1-CD2 3.79Å; L13-L22 HydrophobicContact CD2-CB 4.17Å; L13-L22 HydrophobicContact CD2-CD2 4.15Å; L13-V40 HydrophobicContact CD1-CB 4.49Å; L13-V40 HydrophobicContact CD1-CG1 3.55Å; L13-V40 HydrophobicContact CD1-CG2 4.05Å; L13-V78 HydrophobicContact CB-CB 3.83Å; L13-V78 HydrophobicContact CB-CG2 3.96Å; L13-V78 HydrophobicContact CD1-CB 3.93Å; L13-V78 HydrophobicContact CD1-CG1 4.16Å; L13-V78 HydrophobicContact CD1-CG2 4.11Å; L13-V78 HydrophobicContact CG-CB 3.99Å; L13-V78 HydrophobicContact CG-CG2 4.43Å; L13-V78 PolarHBondContact N-O 3.47Å; L13-V78 PolarHBondContact O-N 3.03Å |
| 14 | R | 91.6 | Very high | 95.6 | Very high | 128 Ų | 128 | 51.4 Ų | 51.4 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | trans | -128.2 | 127.7 | -175.9 | -64.4 | 165.3 | 174.8 | -104.6 | -10.6 | 109.3 | G18 E64 T77 | R14-G18 PolarHBondContact O-N 3.11Å; R14-E64 WeakPolarHBondContact CD-OE2 3.41Å; R14-E64 WeakPolarHBondContact CG-OE2 3.42Å; R14-E64 IonicContact CZ-OE1 3.8Å; R14-E64 IonicContact CZ-OE2 3.5Å; R14-E64 IonicContact NE-OE2 3.06Å; R14-E64 IonicContact NH1-OE1 2.74Å; R14-E64 PolarHBondContact NH1-OE1 2.87Å; R14-E64 IonicContact NH1-OE2 3.7Å; R14-E64 PolarHBondContact NH1-OE2 2.81Å; R14-E64 IonicContact NH2-OE1 3.81Å; R14-E64 PolarHBondContact NH2-OE1 3.48Å; R14-T77 HydrophobicContact CG-CG2 4.43Å | ||
| 15 | G | 92 | Very high | 95.9 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | 61.3 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D17 G18 F75 | G15-D17 PolarHBondContact O-N 3.13Å; G15-G18 PolarHBondContact O-N 2.84Å; G15-F75 VanDerWaalsContact N-CD1 3.34Å; G15-F75 WeakPolarHBondContact O-CE1 3.32Å; G15-F75 WeakPolarHBondContact O-CZ 3.16Å |
| 16 | I | 95.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 178.7 | -67 | 166.8 | 0 | 0 | 0 | 110.9 | G18 V19 V20 F75 E252 Q255 L256 K259 | I16-G18 VanDerWaalsContact C-N 3.28Å; I16-G18 PolarHBondContact O-N 3.49Å; I16-V19 WeakPolarHBondContact O-CB 3.28Å; I16-V19 PolarHBondContact O-N 2.93Å; I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 PolarHBondContact O-N 3.18Å; I16-V20 VanDerWaalsContact O-N 3.07Å; I16-F75 HydrophobicContact CG1-CD2 4.25Å; I16-F75 HydrophobicContact CG1-CE2 3.97Å; I16-E252 WeakPolarHBondContact CD1-O 3.41Å; I16-Q255 HydrophobicContact CD1-CB 3.92Å; I16-L256 HydrophobicContact CG1-CB 4.4Å; I16-L256 HydrophobicContact CG2-CB 4.19Å; I16-L256 HydrophobicContact CG2-CD1 3.86Å; I16-K259 HydrophobicContact CG2-CD 4.03Å |
| 17 | D | 95.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.4 | -26.7 | -173.7 | -61.8 | -17.7 | 0 | 0 | 0 | 113.1 | G15 V19 V20 Q21 K259 | G15-D17 PolarHBondContact O-N 3.13Å; D17-V19 VanDerWaalsContact C-N 3.31Å; D17-V19 PolarHBondContact O-N 3.16Å; D17-V20 PolarHBondContact O-N 3.41Å; D17-Q21 WeakPolarHBondContact O-CB 3.25Å; D17-Q21 VanDerWaalsContact O-CG 3.26Å; D17-Q21 WeakPolarHBondContact O-CG 3.43Å; D17-Q21 PolarHBondContact O-N 3.41Å; D17-K259 IonicContact OD1-NZ 2.7Å; D17-K259 PolarHBondContact OD1-NZ 2.88Å; D17-K259 IonicContact OD2-NZ 2.71Å |
| 18 | G | 96.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R14 G15 I16 L22 | R14-G18 PolarHBondContact O-N 3.11Å; G15-G18 PolarHBondContact O-N 2.84Å; I16-G18 VanDerWaalsContact C-N 3.28Å; I16-G18 PolarHBondContact O-N 3.49Å; G18-L22 PolarHBondContact O-N 2.86Å |
| 19 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.2 | -45.6 | 172.7 | -177 | 0 | 0 | 0 | 0 | 110.3 | L13 I16 D17 Q21 L22 F23 V40 L41 V44 F75 L256 | L13-V19 HydrophobicContact CB-CG2 4.46Å; L13-V19 HydrophobicContact CD1-CG2 4.28Å; I16-V19 WeakPolarHBondContact O-CB 3.28Å; I16-V19 PolarHBondContact O-N 2.93Å; D17-V19 VanDerWaalsContact C-N 3.31Å; D17-V19 PolarHBondContact O-N 3.16Å; V19-Q21 VanDerWaalsContact C-N 3.29Å; V19-Q21 PolarHBondContact O-N 3.32Å; V19-L22 WeakPolarHBondContact O-CB 3.49Å; V19-L22 PolarHBondContact O-N 3.45Å; V19-F23 HydrophobicContact CG1-CD2 3.78Å; V19-F23 HydrophobicContact CG1-CE2 3.75Å; V19-F23 WeakPolarHBondContact O-CD2 3.04Å; V19-F23 PolarHBondContact O-N 3.03Å; V19-V40 HydrophobicContact CG1-CG1 4.03Å; V19-V40 HydrophobicContact CG2-CG1 4.35Å; V19-L41 HydrophobicContact CG1-CD2 4.49Å; V19-V44 HydrophobicContact CG2-CG2 4.44Å; V19-F75 HydrophobicContact CG2-CE1 4.32Å; V19-F75 HydrophobicContact CG2-CZ 3.83Å; V19-L256 HydrophobicContact CB-CD1 3.94Å; V19-L256 HydrophobicContact CG1-CD1 3.94Å |
| 20 | V | 98.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 45.2 Ų | 45.2 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -40.7 | 178.2 | -180 | 0 | 0 | 0 | 0 | 111.8 | I16 D17 L22 F23 D24 L256 K259 L260 L263 | I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 PolarHBondContact O-N 3.18Å; I16-V20 VanDerWaalsContact O-N 3.07Å; D17-V20 PolarHBondContact O-N 3.41Å; V20-L22 PolarHBondContact O-N 3.18Å; V20-F23 PolarHBondContact O-N 2.95Å; V20-D24 PolarHBondContact O-N 3.3Å; V20-L256 HydrophobicContact CG2-CD1 4.48Å; V20-K259 HydrophobicContact CG2-CB 3.94Å; V20-L260 HydrophobicContact CB-CD2 4.34Å; V20-L260 HydrophobicContact CG2-CD2 3.99Å; V20-L260 HydrophobicContact CG2-CG 4.32Å; V20-L263 HydrophobicContact CG1-CD2 4.18Å |
| 21 | Q | 98.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 55% | 0.547 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 175.6 | -74.2 | 172.5 | 34.7 | 0 | 0 | 113.5 | F10 D17 V19 S25 | F10-Q21 HydrophobicContact CD1-CB 4.3Å; F10-Q21 HydrophobicContact CE1-CB 4.28Å; D17-Q21 WeakPolarHBondContact O-CB 3.25Å; D17-Q21 VanDerWaalsContact O-CG 3.26Å; D17-Q21 WeakPolarHBondContact O-CG 3.43Å; D17-Q21 PolarHBondContact O-N 3.41Å; V19-Q21 VanDerWaalsContact C-N 3.29Å; V19-Q21 PolarHBondContact O-N 3.32Å; Q21-S25 WeakPolarHBondContact O-CB 3.24Å; Q21-S25 PolarHBondContact O-N 2.81Å; Q21-S25 VanDerWaalsContact O-N 3.13Å |
| 22 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 173.4 | 176.6 | 62.2 | 0 | 0 | 0 | 110.7 | F10 F11 L13 G18 V19 V20 S25 E26 L36 L37 V40 | F10-L22 HydrophobicContact CB-CB 4.47Å; F10-L22 HydrophobicContact CB-CD1 4.23Å; F10-L22 HydrophobicContact CD2-CD1 3.92Å; F10-L22 HydrophobicContact CG-CB 4.45Å; F10-L22 HydrophobicContact CG-CD1 4.11Å; F11-L22 HydrophobicContact CE2-CD2 4.12Å; F11-L22 HydrophobicContact CZ-CD2 3.87Å; L13-L22 HydrophobicContact CD1-CD2 3.79Å; L13-L22 HydrophobicContact CD2-CB 4.17Å; L13-L22 HydrophobicContact CD2-CD2 4.15Å; G18-L22 PolarHBondContact O-N 2.86Å; V19-L22 WeakPolarHBondContact O-CB 3.49Å; V19-L22 PolarHBondContact O-N 3.45Å; V20-L22 PolarHBondContact O-N 3.18Å; L22-S25 PolarHBondContact O-N 3.49Å; L22-E26 HydrophobicContact CD1-CG 4.26Å; L22-E26 WeakPolarHBondContact O-CG 3.48Å; L22-E26 PolarHBondContact O-N 2.9Å; L22-L36 HydrophobicContact CD1-CD2 4.2Å; L22-L36 HydrophobicContact CD2-CD2 4.47Å; L22-L37 HydrophobicContact CG-CD2 4.34Å; L22-V40 HydrophobicContact CD2-CG2 4.07Å |
| 23 | F | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 178.4 | -91.1 | -105.8 | 0 | 0 | 0 | 112.1 | V19 V20 S25 E26 L27 L37 L41 V233 V237 L260 L263 | V19-F23 HydrophobicContact CG1-CD2 3.78Å; V19-F23 HydrophobicContact CG1-CE2 3.75Å; V19-F23 WeakPolarHBondContact O-CD2 3.04Å; V19-F23 PolarHBondContact O-N 3.03Å; V20-F23 PolarHBondContact O-N 2.95Å; F23-S25 VanDerWaalsContact C-N 3.32Å; F23-S25 PolarHBondContact O-N 2.86Å; F23-E26 PolarHBondContact O-N 2.94Å; F23-L27 VanDerWaalsContact O-CB 3.3Å; F23-L27 WeakPolarHBondContact O-CB 3.47Å; F23-L27 WeakPolarHBondContact O-CG 3.39Å; F23-L27 PolarHBondContact O-N 3.01Å; F23-L37 HydrophobicContact CD1-CD1 4.43Å; F23-L37 HydrophobicContact CD1-CD2 4.1Å; F23-L37 HydrophobicContact CD2-CD2 3.64Å; F23-L37 HydrophobicContact CE1-CB 4.2Å; F23-L37 HydrophobicContact CE1-CD1 4.27Å; F23-L37 HydrophobicContact CE1-CD2 4.05Å; F23-L37 HydrophobicContact CE1-CG 4.41Å; F23-L37 HydrophobicContact CE2-CB 4.33Å; F23-L37 HydrophobicContact CE2-CD2 3.58Å; F23-L37 HydrophobicContact CG-CD2 3.89Å; F23-L37 HydrophobicContact CZ-CB 3.81Å; F23-L37 HydrophobicContact CZ-CD2 3.77Å; F23-L37 HydrophobicContact CZ-CG 4.26Å; F23-L41 HydrophobicContact CE1-CD1 4.3Å; F23-L41 HydrophobicContact CE2-CD2 3.96Å; F23-L41 HydrophobicContact CE2-CG 4.1Å; F23-L41 HydrophobicContact CZ-CD1 3.66Å; F23-L41 HydrophobicContact CZ-CD2 3.81Å; F23-L41 HydrophobicContact CZ-CG 3.62Å; F23-V233 HydrophobicContact CD1-CG1 3.73Å; F23-V233 HydrophobicContact CE1-CG1 3.75Å; F23-V237 HydrophobicContact CD1-CG2 4.32Å; F23-V237 HydrophobicContact CE1-CG2 3.79Å; F23-L260 HydrophobicContact CB-CD2 3.52Å; F23-L260 HydrophobicContact CD1-CD1 4.38Å; F23-L260 HydrophobicContact CD1-CD2 3.81Å; F23-L260 HydrophobicContact CD2-CD1 4.36Å; F23-L260 HydrophobicContact CD2-CD2 3.9Å; F23-L260 HydrophobicContact CE1-CD1 4.31Å; F23-L260 HydrophobicContact CE2-CD1 4.29Å; F23-L260 HydrophobicContact CG-CD1 4.41Å; F23-L260 HydrophobicContact CG-CD2 3.45Å; F23-L260 VanDerWaalsContact CG-CD2 3.45Å; F23-L260 HydrophobicContact CZ-CD1 4.29Å; F23-L263 HydrophobicContact CB-CD2 4.02Å |
| 24 | D | 98.5 | Very high | 96.9 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.1 | 177 | 36.4 | 0 | 0 | 0 | 111.7 | V20 E26 L27 R28 L263 | V20-D24 PolarHBondContact O-N 3.3Å; D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 3.09Å; D24-L27 PolarHBondContact O-N 3.47Å; D24-R28 WeakPolarHBondContact O-CD 3.27Å; D24-R28 VanDerWaalsContact O-CG 3.22Å; D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 3.14Å; D24-R28 IonicContact OD1-CZ 3.21Å; D24-R28 IonicContact OD1-NE 2.67Å; D24-R28 PolarHBondContact OD1-NE 3.29Å; D24-R28 IonicContact OD1-NH2 3.57Å; D24-R28 PolarHBondContact OD1-NH2 3.02Å; D24-R28 IonicContact OD2-CZ 2.66Å; D24-R28 VanDerWaalsContact OD2-CZ 3.23Å; D24-R28 IonicContact OD2-NE 3.84Å; D24-R28 PolarHBondContact OD2-NE 2.94Å; D24-R28 IonicContact OD2-NH2 3.66Å; D24-R28 PolarHBondContact OD2-NH2 2.82Å; D24-L263 HydrophobicContact CB-CD1 3.95Å; D24-L263 HydrophobicContact CB-CD2 3.87Å |
| 25 | S | 98.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 36 Ų | 36 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -24.8 | 177.4 | -172.4 | 0 | 0 | 0 | 0 | 114.5 | F10 Q21 L22 F23 | F10-S25 WeakPolarHBondContact CE2-OG 3.46Å; F10-S25 WeakPolarHBondContact CZ-OG 3.5Å; Q21-S25 WeakPolarHBondContact O-CB 3.24Å; Q21-S25 PolarHBondContact O-N 2.81Å; Q21-S25 VanDerWaalsContact O-N 3.13Å; L22-S25 PolarHBondContact O-N 3.49Å; F23-S25 VanDerWaalsContact C-N 3.32Å; F23-S25 PolarHBondContact O-N 2.86Å |
| 26 | E | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -82.4 | -44.2 | 172.1 | -66.2 | -55.4 | 109.8 | 0 | 0 | 111.2 | Q7 L22 F23 D24 R28 K29 P32 D33 L37 | Q7-E26 WeakPolarHBondContact CG-OE1 3.19Å; Q7-E26 PolarHBondContact NE2-OE2 2.92Å; L22-E26 HydrophobicContact CD1-CG 4.26Å; L22-E26 WeakPolarHBondContact O-CG 3.48Å; L22-E26 PolarHBondContact O-N 2.9Å; F23-E26 PolarHBondContact O-N 2.94Å; D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 3.09Å; E26-R28 PolarHBondContact O-N 3.01Å; E26-K29 VanDerWaalsContact O-CB 3.25Å; E26-K29 WeakPolarHBondContact O-CB 3.45Å; E26-K29 WeakPolarHBondContact O-CG 3.29Å; E26-K29 PolarHBondContact O-N 2.98Å; E26-K29 VanDerWaalsContact OE1-CE 3.25Å; E26-K29 WeakPolarHBondContact OE1-CE 3.44Å; E26-K29 IonicContact OE1-NZ 3.31Å; E26-K29 PolarHBondContact OE1-NZ 2.92Å; E26-K29 IonicContact OE2-NZ 2.68Å; E26-K29 PolarHBondContact OE2-NZ 3.39Å; E26-P32 HydrophobicContact CB-CB 3.93Å; E26-D33 WeakPolarHBondContact OE2-CB 3.44Å; E26-D33 PolarHBondContact OE2-N 3.36Å; E26-L37 HydrophobicContact CB-CD1 3.97Å; E26-L37 HydrophobicContact CB-CD2 4.23Å; E26-L37 HydrophobicContact CB-CG 4.43Å; E26-L37 HydrophobicContact CG-CD1 4.3Å; E26-L37 HydrophobicContact CG-CD2 3.87Å; E26-L37 HydrophobicContact CG-CG 4.22Å |
| 27 | L | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -14.8 | 178.7 | -76.4 | 167.6 | 0 | 0 | 0 | 114.1 | F23 D24 K29 N230 V233 L263 L264 R267 | F23-L27 VanDerWaalsContact O-CB 3.3Å; F23-L27 WeakPolarHBondContact O-CB 3.47Å; F23-L27 WeakPolarHBondContact O-CG 3.39Å; F23-L27 PolarHBondContact O-N 3.01Å; D24-L27 PolarHBondContact O-N 3.47Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-N230 HydrophobicContact CD2-CB 4.14Å; L27-V233 HydrophobicContact CD1-CG1 4.24Å; L27-V233 HydrophobicContact CD2-CB 3.9Å; L27-V233 HydrophobicContact CD2-CG1 3.87Å; L27-V233 HydrophobicContact CD2-CG2 4.08Å; L27-V233 HydrophobicContact CG-CG1 4.18Å; L27-L263 HydrophobicContact CD1-CD2 4.03Å; L27-L263 HydrophobicContact CD1-CG 4.3Å; L27-L264 HydrophobicContact CD1-CD2 3.68Å; L27-L264 HydrophobicContact CD1-CG 4.25Å; L27-L264 HydrophobicContact CD2-CD2 3.81Å; L27-L264 HydrophobicContact CG-CD2 4.43Å; L27-R267 VanDerWaalsContact C-NH1 3.33Å; L27-R267 VanDerWaalsContact O-CZ 3.31Å; L27-R267 PolarHBondContact O-NH1 2.83Å; L27-R267 PolarHBondContact O-NH2 2.89Å |
| 28 | R | 97 | Very high | 97.9 | Very high | 184 Ų | 184 | 31.1 Ų | 31.1 | 69% | 0.694 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3.3 | 168.7 | -72.7 | 168.1 | -170.1 | -128.8 | 10.3 | 113.8 | D24 E26 | D24-R28 WeakPolarHBondContact O-CD 3.27Å; D24-R28 VanDerWaalsContact O-CG 3.22Å; D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 3.14Å; D24-R28 IonicContact OD1-CZ 3.21Å; D24-R28 IonicContact OD1-NE 2.67Å; D24-R28 PolarHBondContact OD1-NE 3.29Å; D24-R28 IonicContact OD1-NH2 3.57Å; D24-R28 PolarHBondContact OD1-NH2 3.02Å; D24-R28 IonicContact OD2-CZ 2.66Å; D24-R28 VanDerWaalsContact OD2-CZ 3.23Å; D24-R28 IonicContact OD2-NE 3.84Å; D24-R28 PolarHBondContact OD2-NE 2.94Å; D24-R28 IonicContact OD2-NH2 3.66Å; D24-R28 PolarHBondContact OD2-NH2 2.82Å; E26-R28 PolarHBondContact O-N 3.01Å |
| 29 | K | 96.4 | Very high | 98 | Very high | 62 Ų | 62 | 30.4 Ų | 30.4 | 27% | 0.27 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -97.2 | 160.8 | 175.1 | -54 | 175.2 | -170.9 | 172.3 | 0 | 110.9 | E26 L27 E31 | E26-K29 VanDerWaalsContact O-CB 3.25Å; E26-K29 WeakPolarHBondContact O-CB 3.45Å; E26-K29 WeakPolarHBondContact O-CG 3.29Å; E26-K29 PolarHBondContact O-N 2.98Å; E26-K29 VanDerWaalsContact OE1-CE 3.25Å; E26-K29 WeakPolarHBondContact OE1-CE 3.44Å; E26-K29 IonicContact OE1-NZ 3.31Å; E26-K29 PolarHBondContact OE1-NZ 2.92Å; E26-K29 IonicContact OE2-NZ 2.68Å; E26-K29 PolarHBondContact OE2-NZ 3.39Å; L27-K29 VanDerWaalsContact C-N 3.27Å; K29-E31 PolarHBondContact O-N 3.47Å |
| 30 | S | 93.6 | Very high | 98 | Very high | 112 Ų | 112 | 30.4 Ų | 30.4 | 78% | 0.783 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -76 | -7.8 | 166.8 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 31 | E | 96.9 | Very high | 98 | Very high | 46 Ų | 46 | 29.7 Ų | 29.7 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -143.1 | 85.7 | 172.3 | -67.3 | -76.4 | -179.1 | 0 | 0 | 107.3 | K29 Q163 K168 R229 | K29-E31 PolarHBondContact O-N 3.47Å; E31-Q163 PolarHBondContact OE2-NE2 3.21Å; E31-K168 WeakPolarHBondContact OE1-CG 3.31Å; E31-K168 IonicContact OE1-NZ 3.95Å; E31-K168 PolarHBondContact OE1-NZ 3.37Å; E31-R229 WeakPolarHBondContact OE2-CD 3.37Å; E31-R229 IonicContact OE2-NE 2.96Å; E31-R229 PolarHBondContact OE2-NE 3.08Å |
| 32 | P | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -57.7 | 136.8 | 160.8 | 25 | -34.3 | 0 | 0 | 0 | 109.3 | E26 L34 L37 Q163 R229 V233 | E26-P32 HydrophobicContact CB-CB 3.93Å; P32-L34 PolarHBondContact O-N 3.01Å; P32-L34 VanDerWaalsContact O-N 3.11Å; P32-L37 HydrophobicContact CB-CD1 4.2Å; P32-Q163 PolarHBondContact O-NE2 2.54Å; P32-Q163 PolarHBondContact O-OE1 3.4Å; P32-R229 HydrophobicContact CG-CB 3.77Å; P32-V233 HydrophobicContact CB-CG2 3.87Å; P32-V233 HydrophobicContact CG-CG2 3.8Å | ||
| 33 | D | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 8% | 0.08 | 12% | 0.124 | C | C | . | . | trans | -79 | 97.9 | -177.4 | -171.7 | -32.5 | 0 | 0 | 0 | 110.9 | Q7 E26 A35 L36 L37 Y87 | Q7-D33 PolarHBondContact NE2-OD2 2.99Å; E26-D33 WeakPolarHBondContact OE2-CB 3.44Å; E26-D33 PolarHBondContact OE2-N 3.36Å; D33-A35 PolarHBondContact O-N 3.11Å; D33-A35 WeakPolarHBondContact OD1-CB 3.44Å; D33-A35 PolarHBondContact OD1-N 3.15Å; D33-A35 VanDerWaalsContact OD1-N 3.14Å; D33-L36 HydrophobicContact CB-CB 3.9Å; D33-L36 PolarHBondContact O-N 3.06Å; D33-L36 PolarHBondContact OD1-N 2.8Å; D33-L37 WeakPolarHBondContact O-CG 3.47Å; D33-L37 PolarHBondContact O-N 3.48Å; D33-Y87 WeakPolarHBondContact OD1-CE2 3.2Å; D33-Y87 WeakPolarHBondContact OD2-CE2 3.4Å; D33-Y87 PolarHBondContact OD2-OH 3Å | ||
| 34 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.9 | -32.1 | -176 | -58.2 | 174.2 | 0 | 0 | 0 | 112 | P32 S38 F156 V159 A160 Q163 E232 V233 M236 | P32-L34 PolarHBondContact O-N 3.01Å; P32-L34 VanDerWaalsContact O-N 3.11Å; L34-S38 VanDerWaalsContact O-CB 3.32Å; L34-S38 WeakPolarHBondContact O-CB 3.42Å; L34-S38 PolarHBondContact O-N 3Å; L34-S38 VanDerWaalsContact O-N 3.1Å; L34-F156 HydrophobicContact CB-CE2 4.45Å; L34-F156 HydrophobicContact CB-CZ 4.1Å; L34-F156 HydrophobicContact CD2-CE2 4.47Å; L34-V159 HydrophobicContact CD1-CG1 4.06Å; L34-A160 HydrophobicContact CB-CB 4.15Å; L34-Q163 VanDerWaalsContact N-OE1 3.08Å; L34-E232 HydrophobicContact CD1-CB 4.4Å; L34-E232 WeakPolarHBondContact CD1-OE2 3.29Å; L34-E232 HydrophobicContact CD2-CB 3.92Å; L34-V233 HydrophobicContact CD2-CG2 3.96Å; L34-M236 HydrophobicContact CB-CE 4.2Å; L34-M236 HydrophobicContact CD2-CE 3.58Å |
| 35 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.7 | -40.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | D33 L39 Y87 F90 L140 V164 | D33-A35 PolarHBondContact O-N 3.11Å; D33-A35 WeakPolarHBondContact OD1-CB 3.44Å; D33-A35 PolarHBondContact OD1-N 3.15Å; D33-A35 VanDerWaalsContact OD1-N 3.14Å; A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 WeakPolarHBondContact O-CD1 3.47Å; A35-L39 WeakPolarHBondContact O-CG 3.33Å; A35-L39 PolarHBondContact O-N 2.65Å; A35-Y87 HydrophobicContact CB-CD2 4.17Å; A35-Y87 HydrophobicContact CB-CE2 3.85Å; A35-F90 HydrophobicContact CB-CD1 3.93Å; A35-F90 HydrophobicContact CB-CE1 3.88Å; A35-L140 HydrophobicContact CB-CD1 4.21Å; A35-V164 HydrophobicContact CB-CG2 4.25Å |
| 36 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.3 | -52 | 172.4 | 174 | 60.4 | 0 | 0 | 0 | 111.5 | L3 Q7 F11 L22 D33 L39 V40 I83 Y87 | L3-L36 HydrophobicContact CD1-CD1 3.9Å; L3-L36 HydrophobicContact CD2-CB 4.08Å; L3-L36 HydrophobicContact CD2-CD1 3.83Å; L3-L36 HydrophobicContact CD2-CD2 4.12Å; L3-L36 HydrophobicContact CD2-CG 4.23Å; Q7-L36 HydrophobicContact CB-CD2 4.03Å; Q7-L36 HydrophobicContact CG-CD2 3.65Å; F11-L36 HydrophobicContact CE2-CD1 4.37Å; F11-L36 HydrophobicContact CZ-CD1 3.96Å; L22-L36 HydrophobicContact CD1-CD2 4.2Å; L22-L36 HydrophobicContact CD2-CD2 4.47Å; D33-L36 HydrophobicContact CB-CB 3.9Å; D33-L36 PolarHBondContact O-N 3.06Å; D33-L36 PolarHBondContact OD1-N 2.8Å; L36-L39 PolarHBondContact O-N 2.85Å; L36-V40 HydrophobicContact CD1-CG2 4.21Å; L36-V40 WeakPolarHBondContact O-CG2 3.5Å; L36-V40 PolarHBondContact O-N 2.95Å; L36-I83 HydrophobicContact CD1-CG2 3.71Å; L36-Y87 HydrophobicContact CB-CD2 4.41Å; L36-Y87 HydrophobicContact CB-CE2 4.23Å |
| 37 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | -172.3 | -66 | 172.9 | 0 | 0 | 0 | 111.9 | L22 F23 E26 P32 D33 L39 V40 L41 V233 M236 | L22-L37 HydrophobicContact CG-CD2 4.34Å; F23-L37 HydrophobicContact CD1-CD1 4.43Å; F23-L37 HydrophobicContact CD1-CD2 4.1Å; F23-L37 HydrophobicContact CD2-CD2 3.64Å; F23-L37 HydrophobicContact CE1-CB 4.2Å; F23-L37 HydrophobicContact CE1-CD1 4.27Å; F23-L37 HydrophobicContact CE1-CD2 4.05Å; F23-L37 HydrophobicContact CE1-CG 4.41Å; F23-L37 HydrophobicContact CE2-CB 4.33Å; F23-L37 HydrophobicContact CE2-CD2 3.58Å; F23-L37 HydrophobicContact CG-CD2 3.89Å; F23-L37 HydrophobicContact CZ-CB 3.81Å; F23-L37 HydrophobicContact CZ-CD2 3.77Å; F23-L37 HydrophobicContact CZ-CG 4.26Å; E26-L37 HydrophobicContact CB-CD1 3.97Å; E26-L37 HydrophobicContact CB-CD2 4.23Å; E26-L37 HydrophobicContact CB-CG 4.43Å; E26-L37 HydrophobicContact CG-CD1 4.3Å; E26-L37 HydrophobicContact CG-CD2 3.87Å; E26-L37 HydrophobicContact CG-CG 4.22Å; P32-L37 HydrophobicContact CB-CD1 4.2Å; D33-L37 WeakPolarHBondContact O-CG 3.47Å; D33-L37 PolarHBondContact O-N 3.48Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.8Å; L37-V40 PolarHBondContact O-N 3.09Å; L37-L41 PolarHBondContact O-N 3.32Å; L37-V233 HydrophobicContact CD1-CG1 4.26Å; L37-V233 HydrophobicContact CD1-CG2 3.76Å; L37-M236 HydrophobicContact CB-CE 4Å; L37-M236 HydrophobicContact CB-SD 3.53Å; L37-M236 VanDerWaalsContact CB-SD 3.53Å; L37-M236 HydrophobicContact CD1-CE 4.48Å |
| 38 | S | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -31.9 | 177.7 | -175.4 | 0 | 0 | 0 | 0 | 113.2 | L34 G42 L140 F156 M236 | L34-S38 VanDerWaalsContact O-CB 3.32Å; L34-S38 WeakPolarHBondContact O-CB 3.42Å; L34-S38 PolarHBondContact O-N 3Å; L34-S38 VanDerWaalsContact O-N 3.1Å; S38-G42 PolarHBondContact O-N 2.92Å; S38-L140 PolarHBondContact OG-N 3.21Å; S38-F156 WeakPolarHBondContact OG-CE1 3.33Å; S38-M236 PolarHBondContact N-SD 3.26Å |
| 39 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.5 | -34.1 | 172.6 | -76.4 | 173.9 | 0 | 0 | 0 | 112.6 | A35 L36 L37 F43 L86 Y87 L140 F141 | A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 WeakPolarHBondContact O-CD1 3.47Å; A35-L39 WeakPolarHBondContact O-CG 3.33Å; A35-L39 PolarHBondContact O-N 2.65Å; L36-L39 PolarHBondContact O-N 2.85Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.8Å; L39-F43 VanDerWaalsContact O-CB 3.27Å; L39-F43 WeakPolarHBondContact O-CB 3.37Å; L39-F43 PolarHBondContact O-N 3.08Å; L39-F43 VanDerWaalsContact O-N 3.16Å; L39-L86 HydrophobicContact CD1-CB 4.06Å; L39-L86 HydrophobicContact CD2-CB 4.02Å; L39-Y87 HydrophobicContact CD1-CD2 4.34Å; L39-L140 HydrophobicContact CD2-CB 4.14Å; L39-L140 HydrophobicContact CG-CB 4.29Å; L39-F141 HydrophobicContact CD2-CB 4.45Å |
| 40 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.5 | -49.8 | 175 | 169 | 0 | 0 | 0 | 0 | 110.9 | F11 L13 V19 L22 L36 L37 G42 F43 V44 I83 | F11-V40 HydrophobicContact CE1-CG2 4.33Å; F11-V40 HydrophobicContact CZ-CG2 4.09Å; L13-V40 HydrophobicContact CD1-CB 4.49Å; L13-V40 HydrophobicContact CD1-CG1 3.55Å; L13-V40 HydrophobicContact CD1-CG2 4.05Å; V19-V40 HydrophobicContact CG1-CG1 4.03Å; V19-V40 HydrophobicContact CG2-CG1 4.35Å; L22-V40 HydrophobicContact CD2-CG2 4.07Å; L36-V40 HydrophobicContact CD1-CG2 4.21Å; L36-V40 WeakPolarHBondContact O-CG2 3.5Å; L36-V40 PolarHBondContact O-N 2.95Å; L37-V40 PolarHBondContact O-N 3.09Å; V40-G42 PolarHBondContact O-N 3.19Å; V40-F43 PolarHBondContact O-N 3.06Å; V40-V44 WeakPolarHBondContact O-CG2 3.4Å; V40-V44 PolarHBondContact O-N 3.46Å; V40-I83 HydrophobicContact CG2-CD1 4.41Å; V40-I83 HydrophobicContact CG2-CG1 4.37Å; V40-I83 HydrophobicContact CG2-CG2 4.28Å |
| 41 | L | 98.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 13.8 Ų | 13.8 | 5% | 0.052 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.3 | -50 | 178 | -69.2 | -179.7 | 0 | 0 | 0 | 111.6 | V19 F23 L37 F43 V44 E45 M236 I240 L256 L260 | V19-L41 HydrophobicContact CG1-CD2 4.49Å; F23-L41 HydrophobicContact CE1-CD1 4.3Å; F23-L41 HydrophobicContact CE2-CD2 3.96Å; F23-L41 HydrophobicContact CE2-CG 4.1Å; F23-L41 HydrophobicContact CZ-CD1 3.66Å; F23-L41 HydrophobicContact CZ-CD2 3.81Å; F23-L41 HydrophobicContact CZ-CG 3.62Å; L37-L41 PolarHBondContact O-N 3.32Å; L41-F43 VanDerWaalsContact C-N 3.29Å; L41-F43 PolarHBondContact O-N 2.98Å; L41-V44 PolarHBondContact O-N 2.99Å; L41-V44 VanDerWaalsContact O-N 3.11Å; L41-E45 WeakPolarHBondContact O-CB 3.47Å; L41-E45 PolarHBondContact O-N 3.12Å; L41-M236 HydrophobicContact CD1-CB 4.43Å; L41-M236 HydrophobicContact CD1-CG 3.84Å; L41-M236 WeakPolarHBondContact CD1-O 3.46Å; L41-M236 HydrophobicContact CD1-SD 4.2Å; L41-I240 HydrophobicContact CD1-CD1 4.09Å; L41-I240 HydrophobicContact CD1-CG1 3.99Å; L41-I240 HydrophobicContact CD2-CD1 3.78Å; L41-I240 HydrophobicContact CD2-CG1 4.23Å; L41-L256 HydrophobicContact CD2-CD2 4.22Å; L41-L260 HydrophobicContact CD2-CD1 3.95Å |
| 42 | G | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.3 | -28.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S38 V40 H46 S139 F141 | S38-G42 PolarHBondContact O-N 2.92Å; V40-G42 PolarHBondContact O-N 3.19Å; G42-H46 VanDerWaalsContact O-CB 3.26Å; G42-H46 WeakPolarHBondContact O-CB 3.47Å; G42-H46 PolarHBondContact O-N 2.99Å; G42-S139 WeakPolarHBondContact CA-OG 3.26Å; G42-F141 VanDerWaalsContact C-CG 3.48Å; G42-F141 VanDerWaalsContact O-CD1 3.3Å; G42-F141 WeakPolarHBondContact O-CD1 3.48Å |
| 43 | F | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.2 | -44.7 | 170.5 | 173.3 | -84.3 | 0 | 0 | 0 | 111.5 | L39 V40 L41 H46 F47 P76 V78 M82 I83 F141 | L39-F43 VanDerWaalsContact O-CB 3.27Å; L39-F43 WeakPolarHBondContact O-CB 3.37Å; L39-F43 PolarHBondContact O-N 3.08Å; L39-F43 VanDerWaalsContact O-N 3.16Å; V40-F43 PolarHBondContact O-N 3.06Å; L41-F43 VanDerWaalsContact C-N 3.29Å; L41-F43 PolarHBondContact O-N 2.98Å; F43-H46 PolarHBondContact O-N 3.25Å; F43-F47 HydrophobicContact CD1-CD2 4.47Å; F43-F47 HydrophobicContact CD2-CD2 4.49Å; F43-F47 HydrophobicContact CD2-CE2 4.11Å; F43-F47 HydrophobicContact CE1-CD2 4.21Å; F43-F47 HydrophobicContact CE1-CE2 4.44Å; F43-F47 HydrophobicContact CE2-CD2 4.25Å; F43-F47 AromaticContact CE2-CE2 3.7Å; F43-F47 HydrophobicContact CE2-CE2 3.7Å; F43-F47 HydrophobicContact CZ-CD2 4.1Å; F43-F47 AromaticContact CZ-CE2 3.88Å; F43-F47 HydrophobicContact CZ-CE2 3.88Å; F43-F47 WeakPolarHBondContact O-CD2 3.39Å; F43-F47 PolarHBondContact O-N 2.99Å; F43-P76 HydrophobicContact CE1-CB 4.04Å; F43-V78 HydrophobicContact CD1-CB 4.31Å; F43-V78 HydrophobicContact CD1-CG1 3.94Å; F43-V78 HydrophobicContact CD1-CG2 3.84Å; F43-V78 HydrophobicContact CE1-CB 4.14Å; F43-V78 HydrophobicContact CE1-CG1 4.1Å; F43-V78 HydrophobicContact CE1-CG2 3.85Å; F43-V78 HydrophobicContact CG-CG1 4.48Å; F43-M82 HydrophobicContact CE2-CE 3.88Å; F43-M82 HydrophobicContact CE2-SD 4.03Å; F43-M82 HydrophobicContact CZ-SD 4.38Å; F43-I83 HydrophobicContact CB-CD1 4.07Å; F43-I83 HydrophobicContact CD2-CD1 4.36Å; F43-I83 HydrophobicContact CG-CD1 4.23Å; F43-F141 HydrophobicContact CB-CD2 3.89Å; F43-F141 HydrophobicContact CB-CE2 3.88Å; F43-F141 AromaticContact CD2-CE2 3.9Å; F43-F141 HydrophobicContact CD2-CE2 3.9Å; F43-F141 HydrophobicContact CD2-CZ 4.47Å; F43-F141 HydrophobicContact CG-CE2 4.37Å |
| 44 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.7 | -46.9 | -179.5 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V19 V40 L41 H46 F47 L48 F75 P76 V78 L253 L256 | V19-V44 HydrophobicContact CG2-CG2 4.44Å; V40-V44 WeakPolarHBondContact O-CG2 3.4Å; V40-V44 PolarHBondContact O-N 3.46Å; L41-V44 PolarHBondContact O-N 2.99Å; L41-V44 VanDerWaalsContact O-N 3.11Å; V44-H46 VanDerWaalsContact C-N 3.32Å; V44-H46 PolarHBondContact O-N 3.25Å; V44-F47 PolarHBondContact O-N 3.36Å; V44-L48 HydrophobicContact CG1-CD1 3.52Å; V44-L48 HydrophobicContact CG1-CG 4.41Å; V44-L48 WeakPolarHBondContact O-CB 3.5Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 2.94Å; V44-F75 HydrophobicContact CG1-CE2 3.9Å; V44-F75 HydrophobicContact CG1-CZ 3.76Å; V44-F75 HydrophobicContact CG2-CE1 4.28Å; V44-F75 HydrophobicContact CG2-CZ 3.91Å; V44-P76 HydrophobicContact CG1-CG 4.4Å; V44-P76 HydrophobicContact CG2-CG 4.46Å; V44-V78 HydrophobicContact CG2-CG2 3.75Å; V44-L253 HydrophobicContact CG1-CD2 4.18Å; V44-L256 HydrophobicContact CG1-CD2 3.87Å |
| 45 | E | 98 | Very high | 94.5 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -36.8 | 174.8 | -172.8 | 177.4 | 128.1 | 0 | 0 | 112.4 | L41 F47 L48 A49 V50 H136 Q138 I240 N241 L253 | L41-E45 WeakPolarHBondContact O-CB 3.47Å; L41-E45 PolarHBondContact O-N 3.12Å; E45-F47 VanDerWaalsContact C-N 3.28Å; E45-F47 PolarHBondContact O-N 2.99Å; E45-L48 PolarHBondContact O-N 3.41Å; E45-A49 HydrophobicContact CG-CB 4.28Å; E45-A49 WeakPolarHBondContact O-CA 3.37Å; E45-A49 WeakPolarHBondContact O-CB 3.39Å; E45-A49 PolarHBondContact O-N 3.11Å; E45-V50 PolarHBondContact O-N 2.82Å; E45-H136 WeakPolarHBondContact OE1-CA 3.08Å; E45-H136 WeakPolarHBondContact OE1-CB 3.28Å; E45-H136 IonicContact OE1-CE1 3.72Å; E45-H136 IonicContact OE1-CG 2.6Å; E45-H136 IonicContact OE1-ND1 2.68Å; E45-H136 PolarHBondContact OE1-ND1 3.35Å; E45-Q138 PolarHBondContact OE1-NE2 3.27Å; E45-Q138 PolarHBondContact OE2-NE2 3.45Å; E45-I240 WeakPolarHBondContact OE2-CA 3.3Å; E45-N241 PolarHBondContact OE2-N 3.13Å; E45-L253 HydrophobicContact CB-CD1 4.39Å; E45-L253 HydrophobicContact CB-CD2 4.31Å; E45-L253 HydrophobicContact CG-CD1 3.97Å |
| 46 | H | 96.1 | Very high | 93.6 | Very high | 52 Ų | 52 | 34.2 Ų | 34.2 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -59.7 | -38.5 | 176.8 | -176.2 | 74.5 | 0 | 0 | 0 | 113 | G42 F43 V44 V50 N51 F141 | G42-H46 VanDerWaalsContact O-CB 3.26Å; G42-H46 WeakPolarHBondContact O-CB 3.47Å; G42-H46 PolarHBondContact O-N 2.99Å; F43-H46 PolarHBondContact O-N 3.25Å; V44-H46 VanDerWaalsContact C-N 3.32Å; V44-H46 PolarHBondContact O-N 3.25Å; H46-V50 WeakPolarHBondContact O-CB 3.39Å; H46-V50 PolarHBondContact O-N 3.41Å; H46-N51 PolarHBondContact O-N 3.47Å; H46-F141 HydrophobicContact CB-CD1 4.14Å; H46-F141 HydrophobicContact CB-CE1 3.56Å; H46-F141 HydrophobicContact CB-CZ 4.18Å; H46-F141 AromaticContact CG-CE1 3.62Å; H46-F141 AromaticContact ND1-CE1 3.99Å |
| 47 | F | 94.6 | Very high | 92.6 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -93.6 | -15.5 | -177.8 | -73.2 | -63.5 | 0 | 0 | 0 | 114.2 | F43 V44 E45 R52 P55 V61 F63 P76 | F43-F47 HydrophobicContact CD1-CD2 4.47Å; F43-F47 HydrophobicContact CD2-CD2 4.49Å; F43-F47 HydrophobicContact CD2-CE2 4.11Å; F43-F47 HydrophobicContact CE1-CD2 4.21Å; F43-F47 HydrophobicContact CE1-CE2 4.44Å; F43-F47 HydrophobicContact CE2-CD2 4.25Å; F43-F47 AromaticContact CE2-CE2 3.7Å; F43-F47 HydrophobicContact CE2-CE2 3.7Å; F43-F47 HydrophobicContact CZ-CD2 4.1Å; F43-F47 AromaticContact CZ-CE2 3.88Å; F43-F47 HydrophobicContact CZ-CE2 3.88Å; F43-F47 WeakPolarHBondContact O-CD2 3.39Å; F43-F47 PolarHBondContact O-N 2.99Å; V44-F47 PolarHBondContact O-N 3.36Å; E45-F47 VanDerWaalsContact C-N 3.28Å; E45-F47 PolarHBondContact O-N 2.99Å; F47-R52 WeakPolarHBondContact O-CA 3.32Å; F47-P55 HydrophobicContact CE1-CG 4.37Å; F47-V61 HydrophobicContact CE1-CG1 4.47Å; F47-V61 HydrophobicContact CZ-CG1 4.24Å; F47-V61 HydrophobicContact CZ-CG2 4.28Å; F47-F63 HydrophobicContact CB-CE1 4.14Å; F47-F63 HydrophobicContact CB-CZ 3.83Å; F47-F63 HydrophobicContact CD1-CE2 4.43Å; F47-F63 AromaticContact CD1-CZ 3.8Å; F47-F63 HydrophobicContact CD1-CZ 3.8Å; F47-F63 AromaticContact CG-CZ 3.93Å; F47-F63 HydrophobicContact CG-CZ 3.93Å; F47-P76 HydrophobicContact CB-CB 3.67Å; F47-P76 HydrophobicContact CB-CG 3.87Å; F47-P76 HydrophobicContact CD2-CB 4.07Å; F47-P76 HydrophobicContact CG-CB 4.14Å |
| 48 | L | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -98.4 | -27.9 | 175.9 | -67.5 | 175 | 0 | 0 | 0 | 113.6 | V44 E45 R52 F75 P76 L244 E252 L253 | V44-L48 HydrophobicContact CG1-CD1 3.52Å; V44-L48 HydrophobicContact CG1-CG 4.41Å; V44-L48 WeakPolarHBondContact O-CB 3.5Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 2.94Å; E45-L48 PolarHBondContact O-N 3.41Å; L48-R52 WeakPolarHBondContact O-CD 3.31Å; L48-R52 WeakPolarHBondContact O-CG 3.39Å; L48-R52 PolarHBondContact O-NE 3.15Å; L48-F75 HydrophobicContact CD1-CD2 4.27Å; L48-F75 HydrophobicContact CD1-CE2 4.14Å; L48-P76 HydrophobicContact CG-CG 4.24Å; L48-L244 WeakPolarHBondContact O-CD2 3.39Å; L48-E252 HydrophobicContact CD1-CB 3.78Å; L48-E252 HydrophobicContact CD2-CB 4.04Å; L48-E252 HydrophobicContact CD2-CG 4.22Å; L48-E252 HydrophobicContact CG-CB 4.46Å; L48-L253 HydrophobicContact CB-CD1 3.88Å; L48-L253 HydrophobicContact CB-CD2 4.1Å; L48-L253 HydrophobicContact CB-CG 3.76Å; L48-L253 HydrophobicContact CD1-CD2 3.83Å; L48-L253 HydrophobicContact CD1-CG 4.05Å |
| 49 | A | 95.1 | Very high | 90 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -111.7 | -65.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E45 N51 L244 L253 | E45-A49 HydrophobicContact CG-CB 4.28Å; E45-A49 WeakPolarHBondContact O-CA 3.37Å; E45-A49 WeakPolarHBondContact O-CB 3.39Å; E45-A49 PolarHBondContact O-N 3.11Å; A49-N51 PolarHBondContact O-N 3.27Å; A49-L244 HydrophobicContact CB-CD2 4.11Å; A49-L253 HydrophobicContact CB-CD1 3.8Å |
| 50 | V | 94.6 | Very high | 88.6 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -63.3 | -39.1 | -165.2 | -174 | 0 | 0 | 0 | 0 | 113.9 | E45 H46 H136 | E45-V50 PolarHBondContact O-N 2.82Å; H46-V50 WeakPolarHBondContact O-CB 3.39Å; H46-V50 PolarHBondContact O-N 3.41Å; V50-H136 HydrophobicContact CG2-CB 3.29Å; V50-H136 VanDerWaalsContact CG2-CG 3.42Å |
| 51 | N | 91.3 | Very high | 87.7 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.1 | 87.8 | -179.8 | -178.7 | 23 | 0 | 0 | 0 | 111.5 | H46 A49 V53 | H46-N51 PolarHBondContact O-N 3.47Å; A49-N51 PolarHBondContact O-N 3.27Å; N51-V53 PolarHBondContact O-N 3.2Å; N51-V53 WeakPolarHBondContact OD1-CB 3.42Å; N51-V53 PolarHBondContact OD1-N 2.89Å |
| 52 | R | 88.8 | Confident | 87 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | trans | -73.1 | 2.6 | 177 | -55.6 | -177.9 | 85.1 | -174.6 | 6.6 | 114.4 | F47 L48 I54 E252 | F47-R52 WeakPolarHBondContact O-CA 3.32Å; L48-R52 WeakPolarHBondContact O-CD 3.31Å; L48-R52 WeakPolarHBondContact O-CG 3.39Å; L48-R52 PolarHBondContact O-NE 3.15Å; R52-I54 PolarHBondContact O-N 3.21Å; R52-E252 IonicContact CZ-OE2 2.78Å; R52-E252 IonicContact NH2-OE1 3.32Å; R52-E252 PolarHBondContact NH2-OE1 2.91Å; R52-E252 IonicContact NH2-OE2 2.78Å; R52-E252 PolarHBondContact NH2-OE2 3.25Å | ||
| 53 | V | 86.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 60.8 Ų | 60.8 | 62% | 0.624 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -79 | 108.7 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | N51 P55 | N51-V53 PolarHBondContact O-N 3.2Å; N51-V53 WeakPolarHBondContact OD1-CB 3.42Å; N51-V53 PolarHBondContact OD1-N 2.89Å; V53-P55 WeakPolarHBondContact O-CD 3.5Å |
| 54 | I | 82.9 | Confident | 85.6 | Confident | 87 Ų | 87 | 63.5 Ų | 63.5 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | trans | -56 | 117.6 | 177.5 | -59.9 | 177 | 0 | 0 | 0 | 109.9 | R52 I56 F63 | R52-I54 PolarHBondContact O-N 3.21Å; I54-I56 PolarHBondContact O-N 3.07Å; I54-F63 HydrophobicContact CB-CD2 4.35Å; I54-F63 HydrophobicContact CB-CE2 4.42Å; I54-F63 HydrophobicContact CD1-CB 4.29Å; I54-F63 HydrophobicContact CD1-CG 4.25Å; I54-F63 HydrophobicContact CG1-CD1 4.27Å; I54-F63 HydrophobicContact CG1-CD2 4.02Å; I54-F63 HydrophobicContact CG1-CE1 4.43Å; I54-F63 HydrophobicContact CG1-CE2 4.21Å; I54-F63 HydrophobicContact CG1-CG 4.05Å; I54-F63 HydrophobicContact CG1-CZ 4.39Å; I54-F63 HydrophobicContact CG2-CD2 3.82Å; I54-F63 HydrophobicContact CG2-CE2 4.2Å; I54-F63 HydrophobicContact CG2-CG 4.48Å | ||
| 55 | P | 79.6 | Confident | 84.8 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | trans | -83.3 | 89.5 | -170.4 | 32.9 | -34.6 | 0 | 0 | 0 | 111.6 | F47 V53 N57 V58 V61 | F47-P55 HydrophobicContact CE1-CG 4.37Å; V53-P55 WeakPolarHBondContact O-CD 3.5Å; P55-N57 PolarHBondContact O-N 2.83Å; P55-V58 HydrophobicContact CB-CB 4.01Å; P55-V58 HydrophobicContact CB-CG2 3.8Å; P55-V58 HydrophobicContact CG-CB 4.17Å; P55-V58 HydrophobicContact CG-CG2 4.41Å; P55-V58 PolarHBondContact O-N 3.12Å; P55-V58 VanDerWaalsContact O-N 3.15Å; P55-V61 HydrophobicContact CG-CB 4.06Å; P55-V61 HydrophobicContact CG-CG1 3.8Å; P55-V61 HydrophobicContact CG-CG2 4.48Å | ||
| 56 | I | 77.9 | Confident | 83.6 | Confident | 171 Ų | 171 | 70.1 Ų | 70.1 | 88% | 0.877 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14 | 179.6 | 62.8 | 171.8 | 0 | 0 | 0 | 115.3 | I54 | I54-I56 PolarHBondContact O-N 3.07Š|
| 57 | N | 78.7 | Confident | 82.4 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 71% | 0.706 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 9.2 | -174.9 | 67.7 | -29.3 | 0 | 0 | 0 | 114.2 | P55 P59 | P55-N57 PolarHBondContact O-N 2.83Å; N57-P59 WeakPolarHBondContact O-CD 3.34Å |
| 58 | V | 73.1 | Confident | 80.7 | Confident | 67 Ų | 67 | 78.1 Ų | 78.1 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | trans | -112.1 | 99.1 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | P55 G60 V61 | P55-V58 HydrophobicContact CB-CB 4.01Å; P55-V58 HydrophobicContact CB-CG2 3.8Å; P55-V58 HydrophobicContact CG-CB 4.17Å; P55-V58 HydrophobicContact CG-CG2 4.41Å; P55-V58 PolarHBondContact O-N 3.12Å; P55-V58 VanDerWaalsContact O-N 3.15Å; V58-G60 PolarHBondContact O-N 3.37Å; V58-V61 HydrophobicContact CB-CG2 4.42Å; V58-V61 HydrophobicContact CG1-CB 4.44Å; V58-V61 HydrophobicContact CG1-CG2 3.74Å; V58-V61 PolarHBondContact O-N 2.98Å | ||
| 59 | P | 70.1 | Confident | 79 | Confident | 130 Ų | 130 | 85.4 Ų | 85.4 | 84% | 0.844 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 132 | 178.5 | -22.9 | 33.9 | 0 | 0 | 0 | 111.9 | N57 | N57-P59 WeakPolarHBondContact O-CD 3.34Š|
| 60 | G | 69.5 | Low | 77.2 | Confident | 43 Ų | 43 | 86.4 Ų | 86.4 | 44% | 0.443 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -13.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V58 | V58-G60 PolarHBondContact O-N 3.37Š|
| 61 | V | 78.9 | Confident | 75.4 | Confident | 20 Ų | 20 | 89.5 Ų | 89.5 | 12% | 0.121 | 49% | 0.494 | C | S | . | . | trans | -82.1 | 131 | 163.5 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | F47 P55 V58 F63 M82 | F47-V61 HydrophobicContact CE1-CG1 4.47Å; F47-V61 HydrophobicContact CZ-CG1 4.24Å; F47-V61 HydrophobicContact CZ-CG2 4.28Å; P55-V61 HydrophobicContact CG-CB 4.06Å; P55-V61 HydrophobicContact CG-CG1 3.8Å; P55-V61 HydrophobicContact CG-CG2 4.48Å; V58-V61 HydrophobicContact CB-CG2 4.42Å; V58-V61 HydrophobicContact CG1-CB 4.44Å; V58-V61 HydrophobicContact CG1-CG2 3.74Å; V58-V61 PolarHBondContact O-N 2.98Å; V61-F63 HydrophobicContact CG1-CD2 4.18Å; V61-F63 HydrophobicContact CG1-CE2 3.64Å; V61-M82 HydrophobicContact CG2-CE 3.78Å; V61-M82 HydrophobicContact CG2-SD 4.03Å | ||
| 62 | R | 84.1 | Confident | 74 | Confident | 144 Ų | 144 | 92 Ų | 92 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.2 | 178.3 | -73.8 | 173.3 | 169.7 | 154.2 | -8.7 | 109.4 | T77 E79 | R62-T77 WeakPolarHBondContact O-CB 3.38Å; R62-T77 PolarHBondContact O-N 3.37Å; R62-T77 PolarHBondContact O-OG1 3.4Å; R62-E79 IonicContact CZ-OE1 3.24Å; R62-E79 IonicContact NH1-OE1 2.69Å; R62-E79 PolarHBondContact NH1-OE1 3.45Å |
| 63 | F | 85.9 | Confident | 73.2 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 17% | 0.171 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.1 | 171.7 | -74.7 | -104.8 | 0 | 0 | 0 | 107.9 | F47 I54 V61 C74 F75 P76 | F47-F63 HydrophobicContact CB-CE1 4.14Å; F47-F63 HydrophobicContact CB-CZ 3.83Å; F47-F63 HydrophobicContact CD1-CE2 4.43Å; F47-F63 AromaticContact CD1-CZ 3.8Å; F47-F63 HydrophobicContact CD1-CZ 3.8Å; F47-F63 AromaticContact CG-CZ 3.93Å; F47-F63 HydrophobicContact CG-CZ 3.93Å; I54-F63 HydrophobicContact CB-CD2 4.35Å; I54-F63 HydrophobicContact CB-CE2 4.42Å; I54-F63 HydrophobicContact CD1-CB 4.29Å; I54-F63 HydrophobicContact CD1-CG 4.25Å; I54-F63 HydrophobicContact CG1-CD1 4.27Å; I54-F63 HydrophobicContact CG1-CD2 4.02Å; I54-F63 HydrophobicContact CG1-CE1 4.43Å; I54-F63 HydrophobicContact CG1-CE2 4.21Å; I54-F63 HydrophobicContact CG1-CG 4.05Å; I54-F63 HydrophobicContact CG1-CZ 4.39Å; I54-F63 HydrophobicContact CG2-CD2 3.82Å; I54-F63 HydrophobicContact CG2-CE2 4.2Å; I54-F63 HydrophobicContact CG2-CG 4.48Å; V61-F63 HydrophobicContact CG1-CD2 4.18Å; V61-F63 HydrophobicContact CG1-CE2 3.64Å; F63-C74 HydrophobicContact CB-CB 4.22Å; F63-C74 HydrophobicContact CD1-CB 4.34Å; F63-F75 WeakPolarHBondContact CA-O 3.49Å; F63-P76 HydrophobicContact CD1-CB 4.41Å; F63-P76 HydrophobicContact CE1-CB 3.96Å; F63-P76 HydrophobicContact CZ-CB 4.18Å |
| 64 | E | 81.6 | Confident | 73.1 | Confident | 58 Ų | 58 | 84.5 Ų | 84.5 | 27% | 0.271 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.3 | 173.3 | -68.9 | -173.3 | 164.8 | 0 | 0 | 108.3 | R14 C74 F75 | R14-E64 WeakPolarHBondContact CD-OE2 3.41Å; R14-E64 WeakPolarHBondContact CG-OE2 3.42Å; R14-E64 IonicContact CZ-OE1 3.8Å; R14-E64 IonicContact CZ-OE2 3.5Å; R14-E64 IonicContact NE-OE2 3.06Å; R14-E64 IonicContact NH1-OE1 2.74Å; R14-E64 PolarHBondContact NH1-OE1 2.87Å; R14-E64 IonicContact NH1-OE2 3.7Å; R14-E64 PolarHBondContact NH1-OE2 2.81Å; R14-E64 IonicContact NH2-OE1 3.81Å; R14-E64 PolarHBondContact NH2-OE1 3.48Å; E64-C74 CarbonylContact O-C 3.53Å; E64-C74 WeakPolarHBondContact O-CA 3.33Å; E64-F75 PolarHBondContact N-O 2.74Å; E64-F75 VanDerWaalsContact N-O 3.09Å; E64-F75 PolarHBondContact O-N 2.95Å |
| 65 | P | 79.1 | Confident | 73.4 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 138 | 178.6 | 29 | -34.7 | 0 | 0 | 0 | 109.7 | ||
| 66 | L | 73.6 | Confident | 74.1 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 32% | 0.319 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -75.6 | -31.4 | 177.3 | -79.1 | 169.2 | 0 | 0 | 0 | 111.8 | S73 F75 E252 | L66-S73 PolarHBondContact N-O 3.03Å; L66-F75 HydrophobicContact CD1-CB 4.27Å; L66-F75 HydrophobicContact CD1-CD2 4.47Å; L66-F75 HydrophobicContact CD2-CB 3.87Å; L66-F75 HydrophobicContact CD2-CD2 4.37Å; L66-F75 HydrophobicContact CD2-CG 4.4Å; L66-F75 HydrophobicContact CG-CB 3.93Å; L66-E252 HydrophobicContact CD1-CB 4.4Å; L66-E252 HydrophobicContact CD1-CG 3.59Å |
| 67 | E | 70.8 | Confident | 74.8 | Confident | 119 Ų | 119 | 71.1 Ų | 71.1 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -124.4 | 140.1 | 171.6 | -53.8 | -177.3 | 129.3 | 0 | 0 | 109.8 | D69 C70 | E67-D69 PolarHBondContact O-N 3.2Å; E67-D69 VanDerWaalsContact O-N 3.09Å; E67-C70 HydrophobicContact CB-CB 3.84Å; E67-C70 HydrophobicContact CG-CB 4.48Å; E67-C70 PolarHBondContact O-N 3.12Å; E67-C70 WeakPolarHBondContact OE2-CB 3.32Å |
| 68 | P | 58.7 | Low | 75.5 | Confident | 121 Ų | 121 | 64.8 Ų | 64.8 | 79% | 0.786 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.8 | -173.6 | -28.5 | 35.9 | 0 | 0 | 0 | 115.6 | ||
| 69 | D | 58.7 | Low | 76.5 | Confident | 156 Ų | 156 | 63.6 Ų | 63.6 | 83% | 0.834 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 4.2 | -173.8 | -61 | -63 | 0 | 0 | 0 | 113.7 | E67 P71 | E67-D69 PolarHBondContact O-N 3.2Å; E67-D69 VanDerWaalsContact O-N 3.09Å; D69-P71 WeakPolarHBondContact O-CD 3.32Å |
| 70 | C | 56.7 | Low | 77.7 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | trans | -108.5 | 84.9 | -177 | -168 | 0 | 0 | 0 | 0 | 112 | E67 T72 S73 | E67-C70 HydrophobicContact CB-CB 3.84Å; E67-C70 HydrophobicContact CG-CB 4.48Å; E67-C70 PolarHBondContact O-N 3.12Å; E67-C70 WeakPolarHBondContact OE2-CB 3.32Å; C70-T72 PolarHBondContact O-N 3.34Å; C70-T72 PolarHBondContact SG-OG1 2.79Å; C70-S73 PolarHBondContact O-N 3.37Å | ||
| 71 | P | 58 | Low | 78.9 | Confident | 120 Ų | 120 | 60.4 Ų | 60.4 | 78% | 0.779 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.2 | -177.8 | 29.6 | -37.3 | 0 | 0 | 0 | 114.1 | D69 | D69-P71 WeakPolarHBondContact O-CD 3.32Š|
| 72 | T | 60.9 | Low | 79.5 | Confident | 119 Ų | 119 | 62.3 Ų | 62.3 | 73% | 0.73 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -16.9 | 179.2 | 40.8 | 0 | 0 | 0 | 0 | 114.4 | C70 | C70-T72 PolarHBondContact O-N 3.34Å; C70-T72 PolarHBondContact SG-OG1 2.79Å |
| 73 | S | 72.7 | Confident | 80 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | trans | -113.1 | 109.8 | 173.8 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | L66 C70 E252 | L66-S73 PolarHBondContact N-O 3.03Å; C70-S73 PolarHBondContact O-N 3.37Å; S73-E252 PolarHBondContact OG-OE1 3.07Å | ||
| 74 | C | 83.3 | Confident | 80.5 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 137.2 | -174.2 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | F63 E64 | F63-C74 HydrophobicContact CB-CB 4.22Å; F63-C74 HydrophobicContact CD1-CB 4.34Å; E64-C74 CarbonylContact O-C 3.53Å; E64-C74 WeakPolarHBondContact O-CA 3.33Å |
| 75 | F | 90.3 | Very high | 81.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.6 | -173.4 | -166.7 | -89.4 | 0 | 0 | 0 | 111.3 | G15 I16 V19 V44 L48 F63 E64 L66 T77 V78 | G15-F75 VanDerWaalsContact N-CD1 3.34Å; G15-F75 WeakPolarHBondContact O-CE1 3.32Å; G15-F75 WeakPolarHBondContact O-CZ 3.16Å; I16-F75 HydrophobicContact CG1-CD2 4.25Å; I16-F75 HydrophobicContact CG1-CE2 3.97Å; V19-F75 HydrophobicContact CG2-CE1 4.32Å; V19-F75 HydrophobicContact CG2-CZ 3.83Å; V44-F75 HydrophobicContact CG1-CE2 3.9Å; V44-F75 HydrophobicContact CG1-CZ 3.76Å; V44-F75 HydrophobicContact CG2-CE1 4.28Å; V44-F75 HydrophobicContact CG2-CZ 3.91Å; L48-F75 HydrophobicContact CD1-CD2 4.27Å; L48-F75 HydrophobicContact CD1-CE2 4.14Å; F63-F75 WeakPolarHBondContact CA-O 3.49Å; E64-F75 PolarHBondContact N-O 2.74Å; E64-F75 VanDerWaalsContact N-O 3.09Å; E64-F75 PolarHBondContact O-N 2.95Å; L66-F75 HydrophobicContact CD1-CB 4.27Å; L66-F75 HydrophobicContact CD1-CD2 4.47Å; L66-F75 HydrophobicContact CD2-CB 3.87Å; L66-F75 HydrophobicContact CD2-CD2 4.37Å; L66-F75 HydrophobicContact CD2-CG 4.4Å; L66-F75 HydrophobicContact CG-CB 3.93Å; F75-T77 PolarHBondContact O-N 2.98Å; F75-T77 VanDerWaalsContact O-N 3.14Å; F75-V78 HydrophobicContact CE1-CG2 4.46Å |
| 76 | P | 92.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 111.5 | 176.1 | 29.4 | -36 | 0 | 0 | 0 | 110.2 | F43 V44 F47 L48 F63 V78 | F43-P76 HydrophobicContact CE1-CB 4.04Å; V44-P76 HydrophobicContact CG1-CG 4.4Å; V44-P76 HydrophobicContact CG2-CG 4.46Å; F47-P76 HydrophobicContact CB-CB 3.67Å; F47-P76 HydrophobicContact CB-CG 3.87Å; F47-P76 HydrophobicContact CD2-CB 4.07Å; F47-P76 HydrophobicContact CG-CB 4.14Å; L48-P76 HydrophobicContact CG-CG 4.24Å; F63-P76 HydrophobicContact CD1-CB 4.41Å; F63-P76 HydrophobicContact CE1-CB 3.96Å; F63-P76 HydrophobicContact CZ-CB 4.18Å; P76-V78 PolarHBondContact O-N 3.42Å |
| 77 | T | 93.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 119 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | P12 R14 R62 F75 E79 | P12-T77 HydrophobicContact CB-CG2 3.8Å; R14-T77 HydrophobicContact CG-CG2 4.43Å; R62-T77 WeakPolarHBondContact O-CB 3.38Å; R62-T77 PolarHBondContact O-N 3.37Å; R62-T77 PolarHBondContact O-OG1 3.4Å; F75-T77 PolarHBondContact O-N 2.98Å; F75-T77 VanDerWaalsContact O-N 3.14Å; T77-E79 HydrophobicContact CG2-CG 4.37Å; T77-E79 PolarHBondContact O-N 3.23Å; T77-E79 VanDerWaalsContact O-N 3.15Å |
| 78 | V | 94.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 93.1 | -175.6 | -164.1 | 0 | 0 | 0 | 0 | 108.9 | F11 P12 L13 F43 V44 F75 P76 I83 | F11-V78 HydrophobicContact CD1-CG1 4.49Å; F11-V78 WeakPolarHBondContact CD1-O 3.16Å; F11-V78 HydrophobicContact CE1-CG1 3.99Å; P12-V78 VanDerWaalsContact CA-O 3.26Å; P12-V78 WeakPolarHBondContact CA-O 3.45Å; L13-V78 HydrophobicContact CB-CB 3.83Å; L13-V78 HydrophobicContact CB-CG2 3.96Å; L13-V78 HydrophobicContact CD1-CB 3.93Å; L13-V78 HydrophobicContact CD1-CG1 4.16Å; L13-V78 HydrophobicContact CD1-CG2 4.11Å; L13-V78 HydrophobicContact CG-CB 3.99Å; L13-V78 HydrophobicContact CG-CG2 4.43Å; L13-V78 PolarHBondContact N-O 3.47Å; L13-V78 PolarHBondContact O-N 3.03Å; F43-V78 HydrophobicContact CD1-CB 4.31Å; F43-V78 HydrophobicContact CD1-CG1 3.94Å; F43-V78 HydrophobicContact CD1-CG2 3.84Å; F43-V78 HydrophobicContact CE1-CB 4.14Å; F43-V78 HydrophobicContact CE1-CG1 4.1Å; F43-V78 HydrophobicContact CE1-CG2 3.85Å; F43-V78 HydrophobicContact CG-CG1 4.48Å; V44-V78 HydrophobicContact CG2-CG2 3.75Å; F75-V78 HydrophobicContact CE1-CG2 4.46Å; P76-V78 PolarHBondContact O-N 3.42Å; V78-I83 HydrophobicContact CG1-CD1 3.78Å; V78-I83 HydrophobicContact CG1-CG1 3.37Å |
| 79 | E | 94.3 | Very high | 86.4 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | trans | -77.2 | 136.2 | -177.4 | -73.9 | -77.4 | -165.8 | 0 | 0 | 112.6 | R62 T77 G81 M82 I83 | R62-E79 IonicContact CZ-OE1 3.24Å; R62-E79 IonicContact NH1-OE1 2.69Å; R62-E79 PolarHBondContact NH1-OE1 3.45Å; T77-E79 HydrophobicContact CG2-CG 4.37Å; T77-E79 PolarHBondContact O-N 3.23Å; T77-E79 VanDerWaalsContact O-N 3.15Å; E79-G81 VanDerWaalsContact C-N 3.27Å; E79-G81 PolarHBondContact O-N 2.76Å; E79-G81 VanDerWaalsContact O-N 3.15Å; E79-M82 PolarHBondContact O-N 2.75Å; E79-M82 VanDerWaalsContact O-N 3.13Å; E79-I83 PolarHBondContact O-N 2.73Å | ||
| 80 | L | 94.9 | Very high | 88.3 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.6 | -38.3 | -172 | -178.9 | 56 | 0 | 0 | 0 | 113.4 | L3 K8 F11 M82 S84 | L3-L80 HydrophobicContact CD1-CD1 4.44Å; K8-L80 HydrophobicContact CB-CD1 4.38Å; K8-L80 HydrophobicContact CB-CD2 4.11Å; K8-L80 HydrophobicContact CD-CD2 4.37Å; K8-L80 HydrophobicContact CG-CD1 4.01Å; K8-L80 HydrophobicContact CG-CD2 4.21Å; F11-L80 HydrophobicContact CB-CB 3.62Å; F11-L80 HydrophobicContact CB-CD1 3.97Å; F11-L80 HydrophobicContact CB-CG 4.23Å; F11-L80 HydrophobicContact CD1-CB 4.44Å; F11-L80 HydrophobicContact CD1-CD1 4.31Å; F11-L80 HydrophobicContact CD2-CD1 3.85Å; F11-L80 HydrophobicContact CE2-CD1 4.49Å; F11-L80 HydrophobicContact CG-CB 4.14Å; F11-L80 HydrophobicContact CG-CD1 3.76Å; L80-M82 VanDerWaalsContact C-N 3.33Å; L80-M82 PolarHBondContact O-N 3.35Å; L80-S84 WeakPolarHBondContact CD1-OG 3.33Å; L80-S84 WeakPolarHBondContact O-CB 3.32Å; L80-S84 PolarHBondContact O-N 3.19Å; L80-S84 PolarHBondContact O-OG 3.28Å |
| 81 | G | 93.4 | Very high | 90.2 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 58% | 0.577 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.7 | -37.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E79 A85 | E79-G81 VanDerWaalsContact C-N 3.27Å; E79-G81 PolarHBondContact O-N 2.76Å; E79-G81 VanDerWaalsContact O-N 3.15Å; G81-A85 WeakPolarHBondContact O-CB 3.23Å; G81-A85 PolarHBondContact O-N 3.08Å; G81-A85 VanDerWaalsContact O-N 3.09Å |
| 82 | M | 91.9 | Very high | 92.1 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 30% | 0.3 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.6 | -51.4 | -179.2 | -61.6 | -173.5 | 74.2 | 0 | 0 | 111 | F43 V61 E79 L80 S84 A85 L86 | F43-M82 HydrophobicContact CE2-CE 3.88Å; F43-M82 HydrophobicContact CE2-SD 4.03Å; F43-M82 HydrophobicContact CZ-SD 4.38Å; V61-M82 HydrophobicContact CG2-CE 3.78Å; V61-M82 HydrophobicContact CG2-SD 4.03Å; E79-M82 PolarHBondContact O-N 2.75Å; E79-M82 VanDerWaalsContact O-N 3.13Å; L80-M82 VanDerWaalsContact C-N 3.33Å; L80-M82 PolarHBondContact O-N 3.35Å; M82-S84 PolarHBondContact O-N 2.89Å; M82-A85 PolarHBondContact O-N 3.18Å; M82-L86 WeakPolarHBondContact O-CG 3.34Å; M82-L86 PolarHBondContact O-N 2.87Å |
| 83 | I | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 178.9 | -61.2 | -57.1 | 0 | 0 | 0 | 111.4 | L3 F11 L36 V40 F43 V78 E79 A85 L86 Y87 | L3-I83 HydrophobicContact CD1-CG2 4.43Å; F11-I83 HydrophobicContact CE1-CB 4.16Å; F11-I83 HydrophobicContact CE1-CG1 4Å; F11-I83 HydrophobicContact CE1-CG2 4.33Å; F11-I83 HydrophobicContact CZ-CG2 4.32Å; L36-I83 HydrophobicContact CD1-CG2 3.71Å; V40-I83 HydrophobicContact CG2-CD1 4.41Å; V40-I83 HydrophobicContact CG2-CG1 4.37Å; V40-I83 HydrophobicContact CG2-CG2 4.28Å; F43-I83 HydrophobicContact CB-CD1 4.07Å; F43-I83 HydrophobicContact CD2-CD1 4.36Å; F43-I83 HydrophobicContact CG-CD1 4.23Å; V78-I83 HydrophobicContact CG1-CD1 3.78Å; V78-I83 HydrophobicContact CG1-CG1 3.37Å; E79-I83 PolarHBondContact O-N 2.73Å; I83-A85 PolarHBondContact O-N 2.66Å; I83-L86 HydrophobicContact CD1-CD1 4.37Å; I83-L86 PolarHBondContact O-N 2.66Å; I83-Y87 VanDerWaalsContact O-CB 3.23Å; I83-Y87 WeakPolarHBondContact O-CB 3.44Å; I83-Y87 PolarHBondContact O-N 2.91Å |
| 84 | S | 96.2 | Very high | 95 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | L80 M82 Y87 E88 | L80-S84 WeakPolarHBondContact CD1-OG 3.33Å; L80-S84 WeakPolarHBondContact O-CB 3.32Å; L80-S84 PolarHBondContact O-N 3.19Å; L80-S84 PolarHBondContact O-OG 3.28Å; M82-S84 PolarHBondContact O-N 2.89Å; S84-Y87 PolarHBondContact O-N 3.04Å; S84-E88 WeakPolarHBondContact O-CB 3.41Å; S84-E88 WeakPolarHBondContact O-CG 3.38Å; S84-E88 PolarHBondContact O-N 3.29Å |
| 85 | A | 95.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 49% | 0.488 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | G81 M82 I83 R89 | G81-A85 WeakPolarHBondContact O-CB 3.23Å; G81-A85 PolarHBondContact O-N 3.08Å; G81-A85 VanDerWaalsContact O-N 3.09Å; M82-A85 PolarHBondContact O-N 3.18Å; I83-A85 PolarHBondContact O-N 2.66Å; A85-R89 WeakPolarHBondContact O-CB 3.34Å; A85-R89 PolarHBondContact O-N 2.99Å |
| 86 | L | 97.1 | Very high | 96 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.2 | -68 | 168.4 | 0 | 0 | 0 | 111.7 | L39 M82 I83 R89 F90 F141 I144 T145 | L39-L86 HydrophobicContact CD1-CB 4.06Å; L39-L86 HydrophobicContact CD2-CB 4.02Å; M82-L86 WeakPolarHBondContact O-CG 3.34Å; M82-L86 PolarHBondContact O-N 2.87Å; I83-L86 HydrophobicContact CD1-CD1 4.37Å; I83-L86 PolarHBondContact O-N 2.66Å; L86-R89 PolarHBondContact O-N 3.22Å; L86-F90 PolarHBondContact O-N 3.4Å; L86-F141 HydrophobicContact CD1-CD2 3.86Å; L86-F141 HydrophobicContact CD1-CE2 3.79Å; L86-I144 HydrophobicContact CD2-CB 4.47Å; L86-I144 HydrophobicContact CD2-CG2 3.58Å; L86-T145 HydrophobicContact CD2-CG2 4.14Å |
| 87 | Y | 98.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 7% | 0.071 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 177.2 | -174.9 | -81.7 | 0 | 0 | 0 | 112.1 | L3 D33 A35 L36 L39 I83 S84 R89 F90 T91 | L3-Y87 HydrophobicContact CD2-CD1 4.06Å; L3-Y87 HydrophobicContact CD2-CD2 3.57Å; L3-Y87 HydrophobicContact CD2-CE1 4.01Å; L3-Y87 HydrophobicContact CD2-CE2 3.46Å; L3-Y87 VanDerWaalsContact CD2-CE2 3.46Å; L3-Y87 HydrophobicContact CD2-CG 3.85Å; L3-Y87 HydrophobicContact CG-CD1 4.26Å; L3-Y87 HydrophobicContact CG-CD2 4.41Å; L3-Y87 HydrophobicContact CG-CE1 4.48Å; L3-Y87 HydrophobicContact CG-CG 4.21Å; D33-Y87 WeakPolarHBondContact OD1-CE2 3.2Å; D33-Y87 WeakPolarHBondContact OD2-CE2 3.4Å; D33-Y87 PolarHBondContact OD2-OH 3Å; A35-Y87 HydrophobicContact CB-CD2 4.17Å; A35-Y87 HydrophobicContact CB-CE2 3.85Å; L36-Y87 HydrophobicContact CB-CD2 4.41Å; L36-Y87 HydrophobicContact CB-CE2 4.23Å; L39-Y87 HydrophobicContact CD1-CD2 4.34Å; I83-Y87 VanDerWaalsContact O-CB 3.23Å; I83-Y87 WeakPolarHBondContact O-CB 3.44Å; I83-Y87 PolarHBondContact O-N 2.91Å; S84-Y87 PolarHBondContact O-N 3.04Å; Y87-R89 VanDerWaalsContact C-N 3.31Å; Y87-R89 PolarHBondContact O-N 2.9Å; Y87-F90 PolarHBondContact O-N 3.07Å; Y87-T91 HydrophobicContact CD1-CG2 3.92Å; Y87-T91 HydrophobicContact CE1-CG2 3.61Å; Y87-T91 WeakPolarHBondContact O-CB 3.49Å; Y87-T91 WeakPolarHBondContact O-CG2 3.34Å; Y87-T91 PolarHBondContact O-N 2.66Å; Y87-T91 PolarHBondContact O-OG1 3.49Å |
| 88 | E | 97.6 | Very high | 96.4 | Very high | 95 Ų | 95 | 42.7 Ų | 42.7 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 175.5 | -74.9 | 175.7 | -171.4 | 0 | 0 | 111.1 | S84 T91 A92 | S84-E88 WeakPolarHBondContact O-CB 3.41Å; S84-E88 WeakPolarHBondContact O-CG 3.38Å; S84-E88 PolarHBondContact O-N 3.29Å; E88-T91 PolarHBondContact O-OG1 3.07Å; E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 2.73Å |
| 89 | R | 97.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 46.2 Ų | 46.2 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 173.6 | -177.3 | 170.5 | 165.3 | -140.9 | -17 | 112.8 | A85 L86 Y87 Q93 I144 | A85-R89 WeakPolarHBondContact O-CB 3.34Å; A85-R89 PolarHBondContact O-N 2.99Å; L86-R89 PolarHBondContact O-N 3.22Å; Y87-R89 VanDerWaalsContact C-N 3.31Å; Y87-R89 PolarHBondContact O-N 2.9Å; R89-Q93 VanDerWaalsContact O-CB 3.3Å; R89-Q93 WeakPolarHBondContact O-CB 3.31Å; R89-Q93 PolarHBondContact O-N 2.94Å; R89-I144 HydrophobicContact CG-CG2 4.28Å; R89-I144 PolarHBondContact NH1-O 2.97Å; R89-I144 PolarHBondContact NH2-O 2.91Å |
| 90 | F | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 175.5 | 178.1 | -116.6 | 0 | 0 | 0 | 111.4 | A35 L86 Y87 A92 Q93 I94 I122 L140 L143 I144 A160 A161 V164 | A35-F90 HydrophobicContact CB-CD1 3.93Å; A35-F90 HydrophobicContact CB-CE1 3.88Å; L86-F90 PolarHBondContact O-N 3.4Å; Y87-F90 PolarHBondContact O-N 3.07Å; F90-A92 VanDerWaalsContact C-N 3.33Å; F90-A92 PolarHBondContact O-N 3.32Å; F90-Q93 WeakPolarHBondContact O-CB 3.39Å; F90-Q93 PolarHBondContact O-N 2.88Å; F90-I94 HydrophobicContact CD2-CG1 4.16Å; F90-I94 HydrophobicContact CE1-CG1 4.45Å; F90-I94 HydrophobicContact CE2-CD1 4Å; F90-I94 HydrophobicContact CE2-CG1 3.84Å; F90-I94 HydrophobicContact CZ-CD1 4.44Å; F90-I94 HydrophobicContact CZ-CG1 4.01Å; F90-I94 WeakPolarHBondContact O-CG1 3.5Å; F90-I94 PolarHBondContact O-N 2.9Å; F90-I122 HydrophobicContact CE2-CD1 4.25Å; F90-L140 HydrophobicContact CD1-CD1 4.49Å; F90-L140 HydrophobicContact CD2-CD2 4.42Å; F90-L140 HydrophobicContact CE1-CD1 4.05Å; F90-L140 HydrophobicContact CE2-CD2 3.81Å; F90-L140 HydrophobicContact CZ-CD1 4.11Å; F90-L140 HydrophobicContact CZ-CD2 3.92Å; F90-L143 HydrophobicContact CD2-CD2 4.3Å; F90-L143 HydrophobicContact CE2-CD2 4.01Å; F90-I144 HydrophobicContact CB-CD1 3.82Å; F90-I144 HydrophobicContact CB-CG1 4.1Å; F90-I144 HydrophobicContact CD2-CD1 4.09Å; F90-I144 HydrophobicContact CG-CD1 4.45Å; F90-A160 HydrophobicContact CE1-CB 4.39Å; F90-A160 HydrophobicContact CZ-CB 4.33Å; F90-A161 HydrophobicContact CZ-CB 4.05Å; F90-V164 HydrophobicContact CD1-CG2 4.32Å; F90-V164 HydrophobicContact CE1-CG2 3.94Å |
| 91 | T | 97.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -30.3 | -176 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | Y87 E88 R95 V164 | Y87-T91 HydrophobicContact CD1-CG2 3.92Å; Y87-T91 HydrophobicContact CE1-CG2 3.61Å; Y87-T91 WeakPolarHBondContact O-CB 3.49Å; Y87-T91 WeakPolarHBondContact O-CG2 3.34Å; Y87-T91 PolarHBondContact O-N 2.66Å; Y87-T91 PolarHBondContact O-OG1 3.49Å; E88-T91 PolarHBondContact O-OG1 3.07Å; T91-R95 VanDerWaalsContact O-CB 3.29Å; T91-R95 WeakPolarHBondContact O-CB 3.41Å; T91-R95 VanDerWaalsContact O-CG 3.25Å; T91-R95 WeakPolarHBondContact O-CG 3.2Å; T91-R95 PolarHBondContact O-N 3.11Å; T91-R95 VanDerWaalsContact O-N 3.12Å; T91-V164 HydrophobicContact CG2-CB 4.42Å; T91-V164 HydrophobicContact CG2-CG1 3.71Å; T91-V164 HydrophobicContact CG2-CG2 3.75Å |
| 92 | A | 97.5 | Very high | 96.2 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E88 F90 G96 | E88-A92 WeakPolarHBondContact O-CB 3.25Å; E88-A92 PolarHBondContact O-N 2.73Å; F90-A92 VanDerWaalsContact C-N 3.33Å; F90-A92 PolarHBondContact O-N 3.32Å; A92-G96 PolarHBondContact O-N 3.44Å |
| 93 | Q | 97.1 | Very high | 96.1 | Very high | 59 Ų | 59 | 53 Ų | 53 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 177.1 | 178.8 | 174.8 | -11.7 | 0 | 0 | 111.7 | R89 F90 A97 S125 | R89-Q93 VanDerWaalsContact O-CB 3.3Å; R89-Q93 WeakPolarHBondContact O-CB 3.31Å; R89-Q93 PolarHBondContact O-N 2.94Å; F90-Q93 WeakPolarHBondContact O-CB 3.39Å; F90-Q93 PolarHBondContact O-N 2.88Å; Q93-A97 VanDerWaalsContact O-CB 3.27Å; Q93-A97 WeakPolarHBondContact O-CB 3.39Å; Q93-A97 PolarHBondContact O-N 3.13Å; Q93-S125 VanDerWaalsContact NE2-CB 3.31Å; Q93-S125 PolarHBondContact NE2-OG 3.06Å |
| 94 | I | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.7 | -50.3 | 178 | -59.3 | -52.2 | 0 | 0 | 0 | 111.5 | F90 G96 A97 V98 V121 I122 A161 V164 L165 | F90-I94 HydrophobicContact CD2-CG1 4.16Å; F90-I94 HydrophobicContact CE1-CG1 4.45Å; F90-I94 HydrophobicContact CE2-CD1 4Å; F90-I94 HydrophobicContact CE2-CG1 3.84Å; F90-I94 HydrophobicContact CZ-CD1 4.44Å; F90-I94 HydrophobicContact CZ-CG1 4.01Å; F90-I94 WeakPolarHBondContact O-CG1 3.5Å; F90-I94 PolarHBondContact O-N 2.9Å; I94-G96 VanDerWaalsContact C-N 3.34Å; I94-G96 PolarHBondContact O-N 3.25Å; I94-A97 PolarHBondContact O-N 3.5Å; I94-V98 PolarHBondContact O-N 3.29Å; I94-V98 VanDerWaalsContact O-N 3.12Å; I94-V121 HydrophobicContact CD1-CG1 3.89Å; I94-I122 HydrophobicContact CD1-CD1 3.79Å; I94-A161 HydrophobicContact CD1-CB 3.69Å; I94-A161 HydrophobicContact CG1-CB 3.8Å; I94-A161 HydrophobicContact CG2-CB 3.93Å; I94-V164 HydrophobicContact CB-CG1 4.36Å; I94-V164 HydrophobicContact CG2-CG1 4.37Å; I94-L165 HydrophobicContact CG2-CD1 3.76Å; I94-L165 HydrophobicContact CG2-CD2 4.12Å; I94-L165 HydrophobicContact CG2-CG 3.75Å |
| 95 | R | 96.5 | Very high | 94.1 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 39% | 0.389 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.4 | -26.9 | -176.6 | -68.2 | 173.9 | -179.1 | 142.5 | 2 | 113.6 | T91 V164 L165 | T91-R95 VanDerWaalsContact O-CB 3.29Å; T91-R95 WeakPolarHBondContact O-CB 3.41Å; T91-R95 VanDerWaalsContact O-CG 3.25Å; T91-R95 WeakPolarHBondContact O-CG 3.2Å; T91-R95 PolarHBondContact O-N 3.11Å; T91-R95 VanDerWaalsContact O-N 3.12Å; R95-V164 HydrophobicContact CG-CG1 4.33Å; R95-V164 PolarHBondContact NE-O 2.99Å; R95-V164 PolarHBondContact NH2-O 2.84Å; R95-L165 HydrophobicContact CG-CD2 4.13Å |
| 96 | G | 96.9 | Very high | 92.9 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 75% | 0.753 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -77.2 | -23 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A92 I94 | A92-G96 PolarHBondContact O-N 3.44Å; I94-G96 VanDerWaalsContact C-N 3.34Å; I94-G96 PolarHBondContact O-N 3.25Å |
| 97 | A | 97.5 | Very high | 91.5 | Very high | 40 Ų | 40 | 73.8 Ų | 73.8 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -100.2 | -14.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q93 I94 K117 V121 | Q93-A97 VanDerWaalsContact O-CB 3.27Å; Q93-A97 WeakPolarHBondContact O-CB 3.39Å; Q93-A97 PolarHBondContact O-N 3.13Å; I94-A97 PolarHBondContact O-N 3.5Å; A97-K117 WeakPolarHBondContact O-CE 3.45Å; A97-K117 PolarHBondContact O-NZ 2.79Å; A97-V121 HydrophobicContact CB-CB 4.44Å; A97-V121 HydrophobicContact CB-CG1 3.79Å; A97-V121 HydrophobicContact CB-CG2 3.68Å |
| 98 | V | 97.3 | Very high | 90 | Very high | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.024 | 42% | 0.416 | C | S | . | . | trans | -125.9 | 95.8 | -177.7 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | I94 L100 L114 K117 V118 V121 L165 | I94-V98 PolarHBondContact O-N 3.29Å; I94-V98 VanDerWaalsContact O-N 3.12Å; V98-L100 HydrophobicContact CG1-CD2 4.23Å; V98-L100 PolarHBondContact O-N 2.97Å; V98-L114 HydrophobicContact CG1-CD1 3.8Å; V98-K117 HydrophobicContact CG1-CG 4.28Å; V98-K117 HydrophobicContact CG2-CG 4.26Å; V98-V118 HydrophobicContact CG2-CG2 4.32Å; V98-V121 HydrophobicContact CG2-CB 4.49Å; V98-V121 HydrophobicContact CG2-CG2 3.85Å; V98-L165 HydrophobicContact CB-CD1 3.98Å; V98-L165 HydrophobicContact CB-CD2 4.35Å; V98-L165 HydrophobicContact CG1-CD1 3.83Å; V98-L165 HydrophobicContact CG2-CD1 4.24Å | ||
| 99 | D | 95.1 | Very high | 89.5 | Confident | 74 Ų | 74 | 72.2 Ų | 72.2 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | trans | -78.1 | 101.7 | 172.5 | 175.3 | 6.3 | 0 | 0 | 0 | 110.7 | S101 Q102 Y103 | D99-S101 VanDerWaalsContact CG-OG 3.23Å; D99-S101 PolarHBondContact O-N 3.5Å; D99-S101 VanDerWaalsContact O-N 3.15Å; D99-S101 VanDerWaalsContact OD1-CB 3.26Å; D99-S101 WeakPolarHBondContact OD1-CB 3.28Å; D99-S101 PolarHBondContact OD1-N 3.33Å; D99-S101 PolarHBondContact OD1-OG 2.89Å; D99-S101 PolarHBondContact OD2-OG 3.46Å; D99-S101 VanDerWaalsContact OD2-OG 3.14Å; D99-Q102 HydrophobicContact CB-CG 4.3Å; D99-Q102 PolarHBondContact O-N 3.08Å; D99-Q102 WeakPolarHBondContact OD2-CG 3.29Å; D99-Q102 PolarHBondContact OD2-NE2 3.31Å; D99-Y103 WeakPolarHBondContact O-CD2 3.35Å | ||
| 100 | L | 94.1 | Very high | 89.3 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -63.6 | -14.9 | 179.6 | -64.6 | 176.9 | 0 | 0 | 0 | 114.1 | V98 Q102 Y103 L114 L165 L167 | V98-L100 HydrophobicContact CG1-CD2 4.23Å; V98-L100 PolarHBondContact O-N 2.97Å; L100-Q102 VanDerWaalsContact C-N 3.25Å; L100-Q102 PolarHBondContact O-N 3.15Å; L100-Y103 PolarHBondContact O-N 2.9Å; L100-L114 HydrophobicContact CD2-CD1 3.94Å; L100-L114 HydrophobicContact CD2-CD2 4.3Å; L100-L165 HydrophobicContact CD1-CB 4.36Å; L100-L165 HydrophobicContact CD1-CD2 4.15Å; L100-L165 HydrophobicContact CD2-CB 4.42Å; L100-L165 HydrophobicContact CD2-CD2 4.33Å; L100-L165 HydrophobicContact CG-CD2 4.23Å; L100-L167 HydrophobicContact CD2-CD2 4.38Å |
| 101 | S | 92.2 | Very high | 89 | Confident | 102 Ų | 102 | 68.2 Ų | 68.2 | 71% | 0.713 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -70.9 | -23.1 | 176.9 | 75.6 | 0 | 0 | 0 | 0 | 113 | D99 Y103 | D99-S101 VanDerWaalsContact CG-OG 3.23Å; D99-S101 PolarHBondContact O-N 3.5Å; D99-S101 VanDerWaalsContact O-N 3.15Å; D99-S101 VanDerWaalsContact OD1-CB 3.26Å; D99-S101 WeakPolarHBondContact OD1-CB 3.28Å; D99-S101 PolarHBondContact OD1-N 3.33Å; D99-S101 PolarHBondContact OD1-OG 2.89Å; D99-S101 PolarHBondContact OD2-OG 3.46Å; D99-S101 VanDerWaalsContact OD2-OG 3.14Å; S101-Y103 VanDerWaalsContact C-N 3.31Å |
| 102 | Q | 92.5 | Very high | 88.9 | Confident | 136 Ų | 136 | 70.7 Ų | 70.7 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -78.4 | -16.3 | 178 | -60.8 | 175.7 | 29.6 | 0 | 0 | 112.6 | D99 L100 | D99-Q102 HydrophobicContact CB-CG 4.3Å; D99-Q102 PolarHBondContact O-N 3.08Å; D99-Q102 WeakPolarHBondContact OD2-CG 3.29Å; D99-Q102 PolarHBondContact OD2-NE2 3.31Å; L100-Q102 VanDerWaalsContact C-N 3.25Å; L100-Q102 PolarHBondContact O-N 3.15Å |
| 103 | Y | 89.1 | Confident | 88.8 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -114 | 100.2 | -174.6 | -60.6 | -85.8 | 0 | 0 | 0 | 110.7 | D99 L100 S101 R105 E113 L114 K117 | D99-Y103 WeakPolarHBondContact O-CD2 3.35Å; L100-Y103 PolarHBondContact O-N 2.9Å; S101-Y103 VanDerWaalsContact C-N 3.31Å; Y103-R105 PolarHBondContact O-N 3.46Å; Y103-E113 HydrophobicContact CD1-CB 4.43Å; Y103-E113 HydrophobicContact CE1-CB 4.13Å; Y103-L114 HydrophobicContact CD1-CB 3.67Å; Y103-L114 HydrophobicContact CD1-CD1 4.24Å; Y103-L114 HydrophobicContact CD1-CG 4.48Å; Y103-L114 HydrophobicContact CD2-CD1 3.82Å; Y103-L114 HydrophobicContact CE1-CB 4.31Å; Y103-L114 HydrophobicContact CE2-CD1 4.32Å; Y103-L114 HydrophobicContact CG-CB 3.93Å; Y103-L114 HydrophobicContact CG-CD1 3.79Å; Y103-L114 HydrophobicContact CG-CG 4.28Å; Y103-K117 HydrophobicContact CE1-CB 4.35Å; Y103-K117 HydrophobicContact CE2-CG 4.24Å; Y103-K117 WeakPolarHBondContact OH-CB 3.32Å; Y103-K117 VanDerWaalsContact OH-CG 3.29Å; Y103-K117 WeakPolarHBondContact OH-CG 3.39Å |
| 104 | R | 74.7 | Confident | 88.8 | Confident | 223 Ų | 223 | 70.7 Ų | 70.7 | 84% | 0.842 | 39% | 0.39 | S | S | * | . | trans | -65.5 | 99.3 | 177.5 | 179.1 | -176.3 | -78.5 | 177.6 | -4.3 | 110.4 | T106 | R104-T106 PolarHBondContact O-N 2.92Š| ||
| 105 | R | 74.3 | Confident | 88.7 | Confident | 122 Ų | 122 | 70.7 Ų | 70.7 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | trans | -59.4 | 126.3 | 165.2 | -60.4 | -176.7 | 74.8 | 159 | 7.4 | 109.3 | Y103 G166 | Y103-R105 PolarHBondContact O-N 3.46Å; R105-G166 PolarHBondContact NH1-O 3.31Å; R105-G166 PolarHBondContact NH2-O 3.34Å | ||
| 106 | T | 71.3 | Confident | 88.7 | Confident | 74 Ų | 74 | 68 Ų | 68 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -98 | 172 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | R104 S108 G109 | R104-T106 PolarHBondContact O-N 2.92Å; T106-S108 PolarHBondContact O-N 3.34Å; T106-S108 VanDerWaalsContact O-N 3.16Å; T106-S108 PolarHBondContact OG1-OG 3Å; T106-G109 PolarHBondContact N-O 2.91Å; T106-G109 PolarHBondContact O-N 3.38Å |
| 107 | A | 68.3 | Low | 88.8 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 98% | 0.983 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -8.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 108 | S | 67.2 | Low | 88.8 | Confident | 66 Ų | 66 | 66 Ų | 66 | 46% | 0.462 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.7 | 176.2 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | T106 G184 K185 | T106-S108 PolarHBondContact O-N 3.34Å; T106-S108 VanDerWaalsContact O-N 3.16Å; T106-S108 PolarHBondContact OG1-OG 3Å; S108-G184 CarbonylContact O-C 3.54Å; S108-G184 VanDerWaalsContact O-C 3.32Å; S108-G184 VanDerWaalsContact O-CA 3.29Å; S108-G184 WeakPolarHBondContact O-CA 3.24Å; S108-K185 PolarHBondContact O-N 2.82Å; S108-K185 VanDerWaalsContact O-N 3.12Å |
| 109 | G | 86 | Confident | 88.9 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | 125 | -148.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T106 | T106-G109 PolarHBondContact N-O 2.91Å; T106-G109 PolarHBondContact O-N 3.38Å |
| 110 | S | 93.4 | Very high | 89 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | trans | -82.6 | 151.4 | 173.1 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | D169 F183 | S110-D169 VanDerWaalsContact CB-OD2 3.26Å; S110-D169 WeakPolarHBondContact CB-OD2 3.49Å; S110-D169 PolarHBondContact N-OD2 3.12Å; S110-D169 PolarHBondContact OG-OD1 3Å; S110-D169 PolarHBondContact OG-OD2 2.72Å; S110-F183 WeakPolarHBondContact O-CD2 3.38Å | ||
| 111 | S | 93.4 | Very high | 89.2 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | trans | -94.6 | 157.3 | -179.3 | 88.5 | 0 | 0 | 0 | 0 | 112.6 | E113 L114 V115 | S111-E113 WeakPolarHBondContact CB-OE2 3.28Å; S111-E113 PolarHBondContact O-N 3.11Å; S111-E113 PolarHBondContact OG-OE2 2.85Å; S111-L114 WeakPolarHBondContact O-CB 3.39Å; S111-L114 PolarHBondContact O-N 3.29Å; S111-L114 VanDerWaalsContact O-N 3.1Å; S111-L114 PolarHBondContact OG-N 3.5Å; S111-V115 PolarHBondContact O-N 2.98Å | ||
| 112 | R | 94.9 | Very high | 89.5 | Confident | 60 Ų | 60 | 57 Ų | 57 | 23% | 0.226 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -35.3 | 179.3 | -176.6 | 172.6 | -72.6 | -82.8 | -4.8 | 112.2 | V115 K116 F183 E189 T190 G205 Q206 | R112-V115 PolarHBondContact O-N 2.77Å; R112-K116 VanDerWaalsContact O-CB 3.28Å; R112-K116 WeakPolarHBondContact O-CB 3.08Å; R112-K116 PolarHBondContact O-N 2.9Å; R112-F183 HydrophobicContact CB-CE2 4.24Å; R112-F183 HydrophobicContact CB-CZ 3.86Å; R112-F183 HydrophobicContact CG-CZ 4.25Å; R112-E189 IonicContact CZ-OE2 2.8Å; R112-E189 IonicContact NE-OE2 3.49Å; R112-E189 IonicContact NH2-OE2 3.04Å; R112-E189 PolarHBondContact NH2-OE2 2.67Å; R112-T190 PolarHBondContact NH1-O 2.99Å; R112-T190 PolarHBondContact NH2-O 3.27Å; R112-G205 PolarHBondContact NH1-O 3.39Å; R112-Q206 PolarHBondContact NH1-O 2.86Å |
| 113 | E | 95.2 | Very high | 89.7 | Confident | 121 Ų | 121 | 54 Ų | 54 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -69.3 | -36.2 | 178.5 | -51.1 | 69.5 | -146.7 | 0 | 0 | 111.5 | Y103 S111 K117 | Y103-E113 HydrophobicContact CD1-CB 4.43Å; Y103-E113 HydrophobicContact CE1-CB 4.13Å; S111-E113 WeakPolarHBondContact CB-OE2 3.28Å; S111-E113 PolarHBondContact O-N 3.11Å; S111-E113 PolarHBondContact OG-OE2 2.85Å; E113-K117 WeakPolarHBondContact O-CB 3.42Å; E113-K117 PolarHBondContact O-N 3.12Å |
| 114 | L | 96.4 | Very high | 90 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.2 | -46 | 174.7 | 176.8 | 55.8 | 0 | 0 | 0 | 110.9 | V98 L100 Y103 S111 K117 V118 L167 | V98-L114 HydrophobicContact CG1-CD1 3.8Å; L100-L114 HydrophobicContact CD2-CD1 3.94Å; L100-L114 HydrophobicContact CD2-CD2 4.3Å; Y103-L114 HydrophobicContact CD1-CB 3.67Å; Y103-L114 HydrophobicContact CD1-CD1 4.24Å; Y103-L114 HydrophobicContact CD1-CG 4.48Å; Y103-L114 HydrophobicContact CD2-CD1 3.82Å; Y103-L114 HydrophobicContact CE1-CB 4.31Å; Y103-L114 HydrophobicContact CE2-CD1 4.32Å; Y103-L114 HydrophobicContact CG-CB 3.93Å; Y103-L114 HydrophobicContact CG-CD1 3.79Å; Y103-L114 HydrophobicContact CG-CG 4.28Å; S111-L114 WeakPolarHBondContact O-CB 3.39Å; S111-L114 PolarHBondContact O-N 3.29Å; S111-L114 VanDerWaalsContact O-N 3.1Å; S111-L114 PolarHBondContact OG-N 3.5Å; L114-K117 WeakPolarHBondContact O-CB 3.49Å; L114-K117 PolarHBondContact O-N 3.1Å; L114-V118 WeakPolarHBondContact O-CG2 3.1Å; L114-V118 PolarHBondContact O-N 3.43Å; L114-L167 HydrophobicContact CD1-CD1 4.24Å; L114-L167 HydrophobicContact CD2-CD1 3.66Å; L114-L167 HydrophobicContact CD2-CD2 3.82Å; L114-L167 HydrophobicContact CD2-CG 4.41Å; L114-L167 HydrophobicContact CG-CD1 3.8Å |
| 115 | V | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 176.4 | 174 | 0 | 0 | 0 | 0 | 111 | S111 R112 K117 V118 S119 V170 V181 F183 A191 V193 | S111-V115 PolarHBondContact O-N 2.98Å; R112-V115 PolarHBondContact O-N 2.77Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 2.73Å; V115-V118 PolarHBondContact O-N 3.33Å; V115-V118 VanDerWaalsContact O-N 3.16Å; V115-S119 PolarHBondContact O-N 3.11Å; V115-V170 HydrophobicContact CG2-CG2 3.96Å; V115-V181 HydrophobicContact CG1-CG2 3.53Å; V115-F183 HydrophobicContact CG1-CD1 4.4Å; V115-F183 HydrophobicContact CG1-CE1 4.47Å; V115-F183 HydrophobicContact CG2-CB 4.33Å; V115-F183 HydrophobicContact CG2-CD1 4.07Å; V115-F183 HydrophobicContact CG2-CD2 4.09Å; V115-F183 HydrophobicContact CG2-CE1 4.42Å; V115-F183 HydrophobicContact CG2-CE2 4.42Å; V115-F183 HydrophobicContact CG2-CG 3.9Å; V115-A191 HydrophobicContact CG1-CB 4.09Å; V115-V193 HydrophobicContact CG1-CG1 4.39Å |
| 116 | K | 96.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 44 Ų | 44 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 175.5 | -176.9 | 55.5 | 165.7 | 72.4 | 0 | 112.1 | R112 V118 S119 D120 R204 | R112-K116 VanDerWaalsContact O-CB 3.28Å; R112-K116 WeakPolarHBondContact O-CB 3.08Å; R112-K116 PolarHBondContact O-N 2.9Å; K116-V118 VanDerWaalsContact C-N 3.34Å; K116-V118 PolarHBondContact O-N 2.7Å; K116-S119 WeakPolarHBondContact O-CB 3.06Å; K116-S119 PolarHBondContact O-N 3.39Å; K116-D120 IonicContact NZ-OD1 2.66Å; K116-D120 PolarHBondContact NZ-OD1 2.71Å; K116-D120 IonicContact NZ-OD2 3.47Å; K116-D120 PolarHBondContact NZ-OD2 2.87Å; K116-D120 PolarHBondContact O-N 2.85Å; K116-R204 HydrophobicContact CD-CB 4.35Å; K116-R204 VanDerWaalsContact CE-C 3.47Å; K116-R204 WeakPolarHBondContact CE-O 3.47Å |
| 117 | K | 97.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 30% | 0.3 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 173 | 171 | 63.7 | -179.8 | 171.7 | 0 | 112.2 | A97 V98 Y103 E113 L114 V115 D120 V121 | A97-K117 WeakPolarHBondContact O-CE 3.45Å; A97-K117 PolarHBondContact O-NZ 2.79Å; V98-K117 HydrophobicContact CG1-CG 4.28Å; V98-K117 HydrophobicContact CG2-CG 4.26Å; Y103-K117 HydrophobicContact CE1-CB 4.35Å; Y103-K117 HydrophobicContact CE2-CG 4.24Å; Y103-K117 WeakPolarHBondContact OH-CB 3.32Å; Y103-K117 VanDerWaalsContact OH-CG 3.29Å; Y103-K117 WeakPolarHBondContact OH-CG 3.39Å; E113-K117 WeakPolarHBondContact O-CB 3.42Å; E113-K117 PolarHBondContact O-N 3.12Å; L114-K117 WeakPolarHBondContact O-CB 3.49Å; L114-K117 PolarHBondContact O-N 3.1Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 2.73Å; K117-D120 PolarHBondContact O-N 3.34Å; K117-V121 HydrophobicContact CD-CG2 4.4Å; K117-V121 WeakPolarHBondContact O-CG2 3.47Å; K117-V121 PolarHBondContact O-N 3.37Å |
| 118 | V | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | V98 L114 V115 K116 D120 V121 I122 V158 A161 L165 | V98-V118 HydrophobicContact CG2-CG2 4.32Å; L114-V118 WeakPolarHBondContact O-CG2 3.1Å; L114-V118 PolarHBondContact O-N 3.43Å; V115-V118 PolarHBondContact O-N 3.33Å; V115-V118 VanDerWaalsContact O-N 3.16Å; K116-V118 VanDerWaalsContact C-N 3.34Å; K116-V118 PolarHBondContact O-N 2.7Å; V118-D120 VanDerWaalsContact C-N 3.33Å; V118-D120 PolarHBondContact O-N 3.48Å; V118-V121 PolarHBondContact O-N 3.32Å; V118-V121 VanDerWaalsContact O-N 3.12Å; V118-I122 PolarHBondContact O-N 3.42Å; V118-V158 HydrophobicContact CB-CG1 4.42Å; V118-V158 HydrophobicContact CG1-CG1 4.04Å; V118-A161 HydrophobicContact CG1-CB 3.52Å; V118-L165 HydrophobicContact CG2-CD1 3.76Å |
| 119 | S | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.4 | -45.2 | 171.2 | 171.8 | 0 | 0 | 0 | 0 | 112.3 | V115 K116 V121 I122 W123 V193 R204 | V115-S119 PolarHBondContact O-N 3.11Å; K116-S119 WeakPolarHBondContact O-CB 3.06Å; K116-S119 PolarHBondContact O-N 3.39Å; S119-V121 VanDerWaalsContact C-N 3.32Å; S119-V121 PolarHBondContact O-N 3.42Å; S119-I122 PolarHBondContact O-N 3.23Å; S119-W123 VanDerWaalsContact O-CB 3.23Å; S119-W123 WeakPolarHBondContact O-CB 3.38Å; S119-W123 PolarHBondContact O-N 3.21Å; S119-V193 PolarHBondContact OG-O 3.48Å; S119-R204 PolarHBondContact OG-NH1 2.91Å |
| 120 | D | 97.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.4 | -27.6 | 177.8 | -71.5 | -32.8 | 0 | 0 | 0 | 113.1 | K116 K117 V118 N124 R204 | K116-D120 IonicContact NZ-OD1 2.66Å; K116-D120 PolarHBondContact NZ-OD1 2.71Å; K116-D120 IonicContact NZ-OD2 3.47Å; K116-D120 PolarHBondContact NZ-OD2 2.87Å; K116-D120 PolarHBondContact O-N 2.85Å; K117-D120 PolarHBondContact O-N 3.34Å; V118-D120 VanDerWaalsContact C-N 3.33Å; V118-D120 PolarHBondContact O-N 3.48Å; D120-N124 VanDerWaalsContact O-CB 3.28Å; D120-N124 WeakPolarHBondContact O-CB 3.38Å; D120-N124 PolarHBondContact O-N 3.24Å; D120-N124 PolarHBondContact O-ND2 2.86Å; D120-R204 IonicContact OD1-CZ 2.73Å; D120-R204 IonicContact OD1-NH1 2.67Å; D120-R204 PolarHBondContact OD1-NH1 2.84Å; D120-R204 IonicContact OD1-NH2 2.63Å; D120-R204 PolarHBondContact OD1-NH2 3.1Å |
| 121 | V | 98.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.5 | -43.6 | 172.1 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | I94 A97 V98 K117 V118 S119 S125 | I94-V121 HydrophobicContact CD1-CG1 3.89Å; A97-V121 HydrophobicContact CB-CB 4.44Å; A97-V121 HydrophobicContact CB-CG1 3.79Å; A97-V121 HydrophobicContact CB-CG2 3.68Å; V98-V121 HydrophobicContact CG2-CB 4.49Å; V98-V121 HydrophobicContact CG2-CG2 3.85Å; K117-V121 HydrophobicContact CD-CG2 4.4Å; K117-V121 WeakPolarHBondContact O-CG2 3.47Å; K117-V121 PolarHBondContact O-N 3.37Å; V118-V121 PolarHBondContact O-N 3.32Å; V118-V121 VanDerWaalsContact O-N 3.12Å; S119-V121 VanDerWaalsContact C-N 3.32Å; S119-V121 PolarHBondContact O-N 3.42Å; V121-S125 WeakPolarHBondContact O-CB 3.41Å; V121-S125 PolarHBondContact O-N 3.41Å; V121-S125 PolarHBondContact O-OG 2.96Å |
| 122 | I | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -52.5 | 174.3 | -63 | -59.7 | 0 | 0 | 0 | 110.2 | F90 I94 V118 S119 N124 S125 L143 L149 V154 A157 V158 A161 | F90-I122 HydrophobicContact CE2-CD1 4.25Å; I94-I122 HydrophobicContact CD1-CD1 3.79Å; V118-I122 PolarHBondContact O-N 3.42Å; S119-I122 PolarHBondContact O-N 3.23Å; I122-N124 PolarHBondContact O-N 3.3Å; I122-S125 WeakPolarHBondContact O-CA 3.49Å; I122-S125 VanDerWaalsContact O-CB 3.3Å; I122-S125 WeakPolarHBondContact O-CB 3.39Å; I122-S125 PolarHBondContact O-N 3.2Å; I122-L143 HydrophobicContact CD1-CD2 4.08Å; I122-L149 HydrophobicContact CG2-CD1 4.02Å; I122-V154 HydrophobicContact CG2-CG1 4.17Å; I122-A157 HydrophobicContact CD1-CB 4.18Å; I122-A157 HydrophobicContact CG1-CB 4.45Å; I122-A157 HydrophobicContact CG2-CB 4.08Å; I122-V158 HydrophobicContact CB-CG2 4.04Å; I122-V158 HydrophobicContact CG1-CG2 3.76Å; I122-V158 HydrophobicContact CG2-CG2 4.48Å; I122-A161 HydrophobicContact CD1-CB 4.22Å |
| 123 | W | 96.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.7 | -49.9 | -177.3 | -174.3 | -82.5 | 0 | 0 | 0 | 113.1 | S119 S125 L126 W195 R204 | S119-W123 VanDerWaalsContact O-CB 3.23Å; S119-W123 WeakPolarHBondContact O-CB 3.38Å; S119-W123 PolarHBondContact O-N 3.21Å; W123-S125 PolarHBondContact O-N 3.27Å; W123-L126 WeakPolarHBondContact O-CB 3.49Å; W123-L126 PolarHBondContact O-N 3.17Å; W123-L126 VanDerWaalsContact O-N 3.1Å; W123-W195 HydrophobicContact CH2-CB 4.47Å; W123-W195 AromaticContact CH2-CE3 3.94Å; W123-W195 HydrophobicContact CH2-CE3 3.94Å; W123-W195 AromaticContact CZ3-CE3 3.63Å; W123-W195 HydrophobicContact CZ3-CE3 3.63Å; W123-W195 HydrophobicContact CZ3-CZ3 4.29Å; W123-R204 VanDerWaalsContact CE3-CD 3.45Å |
| 124 | N | 96.4 | Very high | 93.6 | Very high | 128 Ų | 128 | 66.5 Ų | 66.5 | 68% | 0.684 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.8 | 179.6 | -69.2 | -64.2 | 0 | 0 | 0 | 113.5 | D120 I122 | D120-N124 VanDerWaalsContact O-CB 3.28Å; D120-N124 WeakPolarHBondContact O-CB 3.38Å; D120-N124 PolarHBondContact O-N 3.24Å; D120-N124 PolarHBondContact O-ND2 2.86Å; I122-N124 PolarHBondContact O-N 3.3Å |
| 125 | S | 96.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.3 | 171 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | Q93 V121 I122 W123 T147 | Q93-S125 VanDerWaalsContact NE2-CB 3.31Å; Q93-S125 PolarHBondContact NE2-OG 3.06Å; V121-S125 WeakPolarHBondContact O-CB 3.41Å; V121-S125 PolarHBondContact O-N 3.41Å; V121-S125 PolarHBondContact O-OG 2.96Å; I122-S125 WeakPolarHBondContact O-CA 3.49Å; I122-S125 VanDerWaalsContact O-CB 3.3Å; I122-S125 WeakPolarHBondContact O-CB 3.39Å; I122-S125 PolarHBondContact O-N 3.2Å; W123-S125 PolarHBondContact O-N 3.27Å; S125-T147 WeakPolarHBondContact O-CB 3.41Å |
| 126 | L | 95.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -82 | 151.7 | -179.6 | -57.8 | 173.9 | 0 | 0 | 0 | 112.4 | W123 Y130 L143 T147 L149 V154 W195 | W123-L126 WeakPolarHBondContact O-CB 3.49Å; W123-L126 PolarHBondContact O-N 3.17Å; W123-L126 VanDerWaalsContact O-N 3.1Å; L126-Y130 HydrophobicContact CB-CE1 4.42Å; L126-L143 HydrophobicContact CD2-CD1 3.8Å; L126-T147 CarbonylContact C-O 3.32Å; L126-T147 WeakPolarHBondContact CA-O 3.37Å; L126-L149 HydrophobicContact CD2-CB 3.97Å; L126-L149 HydrophobicContact CD2-CD1 4.17Å; L126-L149 HydrophobicContact CD2-CG 4.03Å; L126-V154 HydrophobicContact CD1-CG2 3.8Å; L126-W195 HydrophobicContact CD1-CZ3 4.44Å |
| 127 | S | 93.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | trans | -58.5 | 133.5 | 170.2 | -83 | 0 | 0 | 0 | 0 | 111.1 | S129 Y130 T147 | S127-S129 PolarHBondContact O-N 2.67Å; S127-S129 VanDerWaalsContact O-N 3.1Å; S127-Y130 VanDerWaalsContact O-CD1 3.27Å; S127-Y130 WeakPolarHBondContact O-CD1 3.46Å; S127-Y130 WeakPolarHBondContact O-CE1 3.39Å; S127-T147 WeakPolarHBondContact CB-O 3.23Å; S127-T147 PolarHBondContact N-O 3.05Å; S127-T147 PolarHBondContact OG-O 3.47Å; S127-T147 PolarHBondContact OG-OG1 3.47Å | ||
| 128 | R | 84 | Confident | 93.5 | Very high | 261 Ų | 261 | 65.6 Ų | 65.6 | 99% | 0.985 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -62.8 | -19.9 | -176.6 | -67.1 | -175.5 | 179.8 | -178.5 | -0.1 | 115.1 | ||
| 129 | S | 84.1 | Confident | 93.5 | Very high | 111 Ų | 111 | 66.1 Ų | 66.1 | 78% | 0.776 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -154.6 | 128.4 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 110 | S127 | S127-S129 PolarHBondContact O-N 2.67Å; S127-S129 VanDerWaalsContact O-N 3.1Å |
| 130 | Y | 89.3 | Confident | 93.5 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | trans | -163.6 | 164 | 171.9 | 56.7 | -80.8 | 0 | 0 | 0 | 108.1 | L126 S127 K132 I137 K148 L149 | L126-Y130 HydrophobicContact CB-CE1 4.42Å; S127-Y130 VanDerWaalsContact O-CD1 3.27Å; S127-Y130 WeakPolarHBondContact O-CD1 3.46Å; S127-Y130 WeakPolarHBondContact O-CE1 3.39Å; Y130-K132 PolarHBondContact O-N 3.13Å; Y130-I137 HydrophobicContact CD2-CD1 4.11Å; Y130-I137 HydrophobicContact CE2-CD1 3.87Å; Y130-K148 HydrophobicContact CD1-CG 4.05Å; Y130-K148 HydrophobicContact CD2-CB 4.11Å; Y130-K148 HydrophobicContact CD2-CG 3.81Å; Y130-K148 HydrophobicContact CE1-CG 4.4Å; Y130-K148 HydrophobicContact CE2-CB 4.06Å; Y130-K148 HydrophobicContact CE2-CG 4.17Å; Y130-K148 HydrophobicContact CG-CD 4.43Å; Y130-K148 HydrophobicContact CG-CG 3.76Å; Y130-L149 VanDerWaalsContact CE2-O 3.25Å; Y130-L149 WeakPolarHBondContact CE2-O 3.46Å; Y130-L149 PolarHBondContact OH-O 3.34Å | ||
| 131 | F | 86.1 | Confident | 93.6 | Very high | 175 Ų | 175 | 64.9 Ų | 64.9 | 77% | 0.768 | 32% | 0.315 | S | S | * | . | trans | -71.6 | 113.2 | 169.9 | -68.9 | -87.5 | 0 | 0 | 0 | 108.8 | R134 | F131-R134 HydrophobicContact CB-CB 4.24Å; F131-R134 VanDerWaalsContact O-CB 3.29Å; F131-R134 WeakPolarHBondContact O-CB 3.33Å | ||
| 132 | K | 85.9 | Confident | 93.6 | Very high | 70 Ų | 70 | 65 Ų | 65 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -42.5 | 177.3 | -71.3 | 172.7 | 157.2 | -165.1 | 0 | 111.3 | Y130 R134 W195 | Y130-K132 PolarHBondContact O-N 3.13Å; K132-R134 PolarHBondContact O-N 2.86Å; K132-W195 HydrophobicContact CB-CZ2 3.97Å; K132-W195 HydrophobicContact CD-CD2 4.26Å; K132-W195 HydrophobicContact CD-CH2 4.48Å; K132-W195 HydrophobicContact CD-CZ2 3.69Å; K132-W195 HydrophobicContact CG-CH2 4.24Å; K132-W195 HydrophobicContact CG-CZ2 3.64Å |
| 133 | D | 86.2 | Confident | 93.6 | Very high | 117 Ų | 117 | 65.1 Ų | 65.1 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 29.7 | -177.6 | -41.4 | 8.2 | 0 | 0 | 0 | 112.2 | K198 | D133-K198 WeakPolarHBondContact OD2-CE 3.17Å; D133-K198 IonicContact OD2-NZ 3.37Å; D133-K198 PolarHBondContact OD2-NZ 2.96Å |
| 134 | R | 91.3 | Very high | 93.6 | Very high | 147 Ų | 147 | 61.6 Ų | 61.6 | 56% | 0.555 | 30% | 0.303 | S | S | * | . | trans | -101.7 | 132.8 | -176.2 | -179.4 | -169.3 | 165.7 | 127.2 | 4.6 | 110 | F131 K132 I137 | F131-R134 HydrophobicContact CB-CB 4.24Å; F131-R134 VanDerWaalsContact O-CB 3.29Å; F131-R134 WeakPolarHBondContact O-CB 3.33Å; K132-R134 PolarHBondContact O-N 2.86Å; R134-I137 HydrophobicContact CB-CD1 4.46Å; R134-I137 WeakPolarHBondContact O-CG1 3.37Å | ||
| 135 | A | 94 | Very high | 93.6 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -59.1 | 157.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I137 | A135-I137 PolarHBondContact O-N 3.14Š|
| 136 | H | 97.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 58.9 Ų | 58.9 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 62.2 | 33.7 | 175.4 | -34.2 | -69 | 0 | 0 | 0 | 115.5 | E45 V50 N241 S243 | E45-H136 WeakPolarHBondContact OE1-CA 3.08Å; E45-H136 WeakPolarHBondContact OE1-CB 3.28Å; E45-H136 IonicContact OE1-CE1 3.72Å; E45-H136 IonicContact OE1-CG 2.6Å; E45-H136 IonicContact OE1-ND1 2.68Å; E45-H136 PolarHBondContact OE1-ND1 3.35Å; V50-H136 HydrophobicContact CG2-CB 3.29Å; V50-H136 VanDerWaalsContact CG2-CG 3.42Å; H136-N241 PolarHBondContact CE1-O 2.85Å; H136-N241 PolarHBondContact CE1-OD1 2.76Å; H136-S243 PolarHBondContact CE1-O 3.17Å; H136-S243 PolarHBondContact NE2-O 3.45Å; H136-S243 VanDerWaalsContact NE2-O 3.08Å |
| 137 | I | 97.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | trans | -118.2 | 2.2 | 171 | 72.2 | 178.1 | 0 | 0 | 0 | 114.4 | Y130 R134 A135 S139 S142 K148 L149 D150 | Y130-I137 HydrophobicContact CD2-CD1 4.11Å; Y130-I137 HydrophobicContact CE2-CD1 3.87Å; R134-I137 HydrophobicContact CB-CD1 4.46Å; R134-I137 WeakPolarHBondContact O-CG1 3.37Å; A135-I137 PolarHBondContact O-N 3.14Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 3.49Å; I137-S142 WeakPolarHBondContact CA-OG 3.44Å; I137-K148 HydrophobicContact CB-CB 4.15Å; I137-K148 HydrophobicContact CD1-CB 4.34Å; I137-K148 HydrophobicContact CG2-CB 4.04Å; I137-L149 VanDerWaalsContact O-CA 3.29Å; I137-L149 WeakPolarHBondContact O-CA 3.45Å; I137-L149 VanDerWaalsContact O-CD2 3.26Å; I137-L149 WeakPolarHBondContact O-CD2 3.2Å; I137-D150 HydrophobicContact CD1-CB 4.29Å; I137-D150 HydrophobicContact CG1-CB 3.97Å | ||
| 138 | Q | 97.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -60.5 | -28.7 | 177.1 | 75.4 | -69.3 | 67.2 | 0 | 0 | 114.9 | E45 D150 G153 A239 | E45-Q138 PolarHBondContact OE1-NE2 3.27Å; E45-Q138 PolarHBondContact OE2-NE2 3.45Å; Q138-D150 WeakPolarHBondContact CA-OD2 3.29Å; Q138-D150 VanDerWaalsContact CB-OD2 3.25Å; Q138-D150 WeakPolarHBondContact CB-OD2 3.33Å; Q138-D150 PolarHBondContact N-OD2 2.99Å; Q138-D150 VanDerWaalsContact N-OD2 3.09Å; Q138-G153 WeakPolarHBondContact O-CA 3.25Å; Q138-A239 HydrophobicContact CB-CB 4.44Å; Q138-A239 HydrophobicContact CG-CB 4.02Å; Q138-A239 WeakPolarHBondContact CG-O 3.04Å; Q138-A239 PolarHBondContact NE2-O 3Å |
| 139 | S | 98.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -91.1 | 154.5 | -166.5 | 64.4 | 0 | 0 | 0 | 0 | 114.9 | G42 I137 F141 S142 L143 L149 | G42-S139 WeakPolarHBondContact CA-OG 3.26Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 3.49Å; S139-F141 PolarHBondContact O-N 2.97Å; S139-F141 VanDerWaalsContact O-N 3.14Å; S139-S142 WeakPolarHBondContact O-CB 3.19Å; S139-S142 PolarHBondContact O-N 2.98Å; S139-L143 PolarHBondContact O-N 2.99Å; S139-L149 WeakPolarHBondContact O-CD2 3.35Å |
| 140 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -21.8 | 171.2 | -71.1 | 177.9 | 0 | 0 | 0 | 113.1 | A35 S38 L39 F90 S142 L143 I144 F156 A157 A160 | A35-L140 HydrophobicContact CB-CD1 4.21Å; S38-L140 PolarHBondContact OG-N 3.21Å; L39-L140 HydrophobicContact CD2-CB 4.14Å; L39-L140 HydrophobicContact CG-CB 4.29Å; F90-L140 HydrophobicContact CD1-CD1 4.49Å; F90-L140 HydrophobicContact CD2-CD2 4.42Å; F90-L140 HydrophobicContact CE1-CD1 4.05Å; F90-L140 HydrophobicContact CE2-CD2 3.81Å; F90-L140 HydrophobicContact CZ-CD1 4.11Å; F90-L140 HydrophobicContact CZ-CD2 3.92Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-L143 HydrophobicContact CD2-CD2 3.83Å; L140-L143 PolarHBondContact O-N 2.8Å; L140-I144 WeakPolarHBondContact O-CG1 3.26Å; L140-I144 PolarHBondContact O-N 3.22Å; L140-F156 HydrophobicContact CD1-CE1 4.27Å; L140-F156 HydrophobicContact CG-CE1 4.21Å; L140-A157 HydrophobicContact CD2-CB 3.61Å; L140-A160 HydrophobicContact CD1-CB 3.89Å |
| 141 | F | 98.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 44 Ų | 44 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 170.3 | -174.8 | -93.1 | 0 | 0 | 0 | 110.9 | L39 G42 F43 H46 L86 S139 I144 T145 | L39-F141 HydrophobicContact CD2-CB 4.45Å; G42-F141 VanDerWaalsContact C-CG 3.48Å; G42-F141 VanDerWaalsContact O-CD1 3.3Å; G42-F141 WeakPolarHBondContact O-CD1 3.48Å; F43-F141 HydrophobicContact CB-CD2 3.89Å; F43-F141 HydrophobicContact CB-CE2 3.88Å; F43-F141 AromaticContact CD2-CE2 3.9Å; F43-F141 HydrophobicContact CD2-CE2 3.9Å; F43-F141 HydrophobicContact CD2-CZ 4.47Å; F43-F141 HydrophobicContact CG-CE2 4.37Å; H46-F141 HydrophobicContact CB-CD1 4.14Å; H46-F141 HydrophobicContact CB-CE1 3.56Å; H46-F141 HydrophobicContact CB-CZ 4.18Å; H46-F141 AromaticContact CG-CE1 3.62Å; H46-F141 AromaticContact ND1-CE1 3.99Å; L86-F141 HydrophobicContact CD1-CD2 3.86Å; L86-F141 HydrophobicContact CD1-CE2 3.79Å; S139-F141 PolarHBondContact O-N 2.97Å; S139-F141 VanDerWaalsContact O-N 3.14Å; F141-I144 PolarHBondContact O-N 3.12Å; F141-T145 HydrophobicContact CD1-CG2 4.21Å; F141-T145 HydrophobicContact CD2-CG2 4.2Å; F141-T145 HydrophobicContact CE1-CG2 3.89Å; F141-T145 HydrophobicContact CE2-CG2 3.87Å; F141-T145 HydrophobicContact CG-CG2 4.36Å; F141-T145 HydrophobicContact CZ-CG2 3.72Å; F141-T145 WeakPolarHBondContact O-CB 3.48Å; F141-T145 WeakPolarHBondContact O-CG2 3.35Å; F141-T145 PolarHBondContact O-N 3.28Å; F141-T145 PolarHBondContact O-OG1 3.08Å |
| 142 | S | 98.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -38.9 | 176.1 | -160.9 | 0 | 0 | 0 | 0 | 112.4 | I137 S139 L140 I144 G146 T147 K148 | I137-S142 WeakPolarHBondContact CA-OG 3.44Å; S139-S142 WeakPolarHBondContact O-CB 3.19Å; S139-S142 PolarHBondContact O-N 2.98Å; L140-S142 VanDerWaalsContact C-N 3.33Å; S142-I144 PolarHBondContact O-N 3.31Å; S142-G146 CarbonylContact O-C 3.6Å; S142-G146 VanDerWaalsContact O-CA 3.31Å; S142-G146 WeakPolarHBondContact O-CA 3.45Å; S142-G146 PolarHBondContact O-N 2.97Å; S142-T147 PolarHBondContact O-N 3.44Å; S142-K148 CarbonylContact C-O 3.51Å; S142-K148 PolarHBondContact OG-O 2.82Å |
| 143 | L | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 172.4 | 178.7 | 64.1 | 0 | 0 | 0 | 111.7 | F90 I122 L126 S139 L140 T147 K148 L149 A157 | F90-L143 HydrophobicContact CD2-CD2 4.3Å; F90-L143 HydrophobicContact CE2-CD2 4.01Å; I122-L143 HydrophobicContact CD1-CD2 4.08Å; L126-L143 HydrophobicContact CD2-CD1 3.8Å; S139-L143 PolarHBondContact O-N 2.99Å; L140-L143 HydrophobicContact CD2-CD2 3.83Å; L140-L143 PolarHBondContact O-N 2.8Å; L143-T147 VanDerWaalsContact O-CA 3.26Å; L143-T147 WeakPolarHBondContact O-CA 3.25Å; L143-T147 PolarHBondContact O-N 3.33Å; L143-K148 PolarHBondContact N-O 2.92Å; L143-L149 HydrophobicContact CB-CD1 4.19Å; L143-L149 HydrophobicContact CB-CD2 3.99Å; L143-L149 HydrophobicContact CB-CG 4.06Å; L143-L149 HydrophobicContact CD1-CD1 3.97Å; L143-L149 HydrophobicContact CD1-CG 4.22Å; L143-L149 HydrophobicContact CD2-CD1 4.23Å; L143-L149 HydrophobicContact CG-CD1 4.34Å; L143-A157 HydrophobicContact CD2-CB 4.34Å |
| 144 | I | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -79 | -38.7 | -174.8 | -64.9 | -61 | 0 | 0 | 0 | 112.5 | L86 R89 F90 L140 F141 S142 | L86-I144 HydrophobicContact CD2-CB 4.47Å; L86-I144 HydrophobicContact CD2-CG2 3.58Å; R89-I144 HydrophobicContact CG-CG2 4.28Å; R89-I144 PolarHBondContact NH1-O 2.97Å; R89-I144 PolarHBondContact NH2-O 2.91Å; F90-I144 HydrophobicContact CB-CD1 3.82Å; F90-I144 HydrophobicContact CB-CG1 4.1Å; F90-I144 HydrophobicContact CD2-CD1 4.09Å; F90-I144 HydrophobicContact CG-CD1 4.45Å; L140-I144 WeakPolarHBondContact O-CG1 3.26Å; L140-I144 PolarHBondContact O-N 3.22Å; F141-I144 PolarHBondContact O-N 3.12Å; S142-I144 PolarHBondContact O-N 3.31Å |
| 145 | T | 96.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 21.7 Ų | 21.7 | 47% | 0.466 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -86.1 | -38.3 | -177.8 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | L86 F141 | L86-T145 HydrophobicContact CD2-CG2 4.14Å; F141-T145 HydrophobicContact CD1-CG2 4.21Å; F141-T145 HydrophobicContact CD2-CG2 4.2Å; F141-T145 HydrophobicContact CE1-CG2 3.89Å; F141-T145 HydrophobicContact CE2-CG2 3.87Å; F141-T145 HydrophobicContact CG-CG2 4.36Å; F141-T145 HydrophobicContact CZ-CG2 3.72Å; F141-T145 WeakPolarHBondContact O-CB 3.48Å; F141-T145 WeakPolarHBondContact O-CG2 3.35Å; F141-T145 PolarHBondContact O-N 3.28Å; F141-T145 PolarHBondContact O-OG1 3.08Å |
| 146 | G | 95.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 25% | 0.247 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -121.4 | -1.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S142 K148 | S142-G146 CarbonylContact O-C 3.6Å; S142-G146 VanDerWaalsContact O-CA 3.31Å; S142-G146 WeakPolarHBondContact O-CA 3.45Å; S142-G146 PolarHBondContact O-N 2.97Å; G146-K148 VanDerWaalsContact C-N 3.27Å; G146-K148 WeakPolarHBondContact O-CD 3.34Å; G146-K148 WeakPolarHBondContact O-CE 3.34Å; G146-K148 WeakPolarHBondContact O-CG 3.4Å; G146-K148 PolarHBondContact O-N 2.84Å |
| 147 | T | 97.2 | Very high | 97.6 | Very high | 49 Ų | 49 | 18.2 Ų | 18.2 | 30% | 0.301 | 11% | 0.11 | S | C | . | . | trans | 49 | 41.4 | -176.1 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | S125 L126 S127 S142 L143 | S125-T147 WeakPolarHBondContact O-CB 3.41Å; L126-T147 CarbonylContact C-O 3.32Å; L126-T147 WeakPolarHBondContact CA-O 3.37Å; S127-T147 WeakPolarHBondContact CB-O 3.23Å; S127-T147 PolarHBondContact N-O 3.05Å; S127-T147 PolarHBondContact OG-O 3.47Å; S127-T147 PolarHBondContact OG-OG1 3.47Å; S142-T147 PolarHBondContact O-N 3.44Å; L143-T147 VanDerWaalsContact O-CA 3.26Å; L143-T147 WeakPolarHBondContact O-CA 3.25Å; L143-T147 PolarHBondContact O-N 3.33Å | ||
| 148 | K | 97.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 18 Ų | 18 | 29% | 0.287 | 11% | 0.109 | S | C | . | . | trans | -129.8 | 144 | 179.1 | -68.2 | 153.3 | -167.5 | 159.5 | 0 | 109.2 | Y130 I137 S142 L143 G146 | Y130-K148 HydrophobicContact CD1-CG 4.05Å; Y130-K148 HydrophobicContact CD2-CB 4.11Å; Y130-K148 HydrophobicContact CD2-CG 3.81Å; Y130-K148 HydrophobicContact CE1-CG 4.4Å; Y130-K148 HydrophobicContact CE2-CB 4.06Å; Y130-K148 HydrophobicContact CE2-CG 4.17Å; Y130-K148 HydrophobicContact CG-CD 4.43Å; Y130-K148 HydrophobicContact CG-CG 3.76Å; I137-K148 HydrophobicContact CB-CB 4.15Å; I137-K148 HydrophobicContact CD1-CB 4.34Å; I137-K148 HydrophobicContact CG2-CB 4.04Å; S142-K148 CarbonylContact C-O 3.51Å; S142-K148 PolarHBondContact OG-O 2.82Å; L143-K148 PolarHBondContact N-O 2.92Å; G146-K148 VanDerWaalsContact C-N 3.27Å; G146-K148 WeakPolarHBondContact O-CD 3.34Å; G146-K148 WeakPolarHBondContact O-CE 3.34Å; G146-K148 WeakPolarHBondContact O-CG 3.4Å; G146-K148 PolarHBondContact O-N 2.84Å | ||
| 149 | L | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -141.7 | 152.9 | 168.3 | -72.4 | 176.6 | 0 | 0 | 0 | 108.3 | I122 L126 Y130 I137 S139 L143 V154 A157 W195 | I122-L149 HydrophobicContact CG2-CD1 4.02Å; L126-L149 HydrophobicContact CD2-CB 3.97Å; L126-L149 HydrophobicContact CD2-CD1 4.17Å; L126-L149 HydrophobicContact CD2-CG 4.03Å; Y130-L149 VanDerWaalsContact CE2-O 3.25Å; Y130-L149 WeakPolarHBondContact CE2-O 3.46Å; Y130-L149 PolarHBondContact OH-O 3.34Å; I137-L149 VanDerWaalsContact O-CA 3.29Å; I137-L149 WeakPolarHBondContact O-CA 3.45Å; I137-L149 VanDerWaalsContact O-CD2 3.26Å; I137-L149 WeakPolarHBondContact O-CD2 3.2Å; S139-L149 WeakPolarHBondContact O-CD2 3.35Å; L143-L149 HydrophobicContact CB-CD1 4.19Å; L143-L149 HydrophobicContact CB-CD2 3.99Å; L143-L149 HydrophobicContact CB-CG 4.06Å; L143-L149 HydrophobicContact CD1-CD1 3.97Å; L143-L149 HydrophobicContact CD1-CG 4.22Å; L143-L149 HydrophobicContact CD2-CD1 4.23Å; L143-L149 HydrophobicContact CG-CD1 4.34Å; L149-V154 HydrophobicContact CB-CG2 3.56Å; L149-V154 HydrophobicContact CD1-CB 4.49Å; L149-V154 HydrophobicContact CD1-CG2 3.94Å; L149-V154 HydrophobicContact CG-CG2 4.41Å; L149-A157 HydrophobicContact CD1-CB 3.57Å; L149-W195 WeakPolarHBondContact O-CH2 3.22Å | ||
| 150 | D | 96.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 16.5 Ų | 16.5 | 17% | 0.171 | 10% | 0.101 | C | C | . | . | trans | -84.9 | -175.3 | 164.3 | 49.7 | 39 | 0 | 0 | 0 | 109.5 | I137 Q138 G153 V154 | I137-D150 HydrophobicContact CD1-CB 4.29Å; I137-D150 HydrophobicContact CG1-CB 3.97Å; Q138-D150 WeakPolarHBondContact CA-OD2 3.29Å; Q138-D150 VanDerWaalsContact CB-OD2 3.25Å; Q138-D150 WeakPolarHBondContact CB-OD2 3.33Å; Q138-D150 PolarHBondContact N-OD2 2.99Å; Q138-D150 VanDerWaalsContact N-OD2 3.09Å; D150-G153 VanDerWaalsContact OD1-CA 3.29Å; D150-G153 WeakPolarHBondContact OD1-CA 3.45Å; D150-G153 PolarHBondContact OD1-N 3.19Å; D150-V154 WeakPolarHBondContact O-CG2 3.32Å; D150-V154 PolarHBondContact O-N 3.19Å; D150-V154 VanDerWaalsContact O-N 3.12Å | ||
| 151 | S | 94.5 | Very high | 97.7 | Very high | 25 Ų | 25 | 16.5 Ų | 16.5 | 18% | 0.175 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61 | -53.1 | -174.3 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | V154 A155 T194 W195 | S151-V154 PolarHBondContact O-N 3.12Å; S151-A155 PolarHBondContact O-N 2.81Å; S151-T194 WeakPolarHBondContact CA-OG1 3.49Å; S151-T194 VanDerWaalsContact O-CB 3.31Å; S151-T194 WeakPolarHBondContact O-CB 3.37Å; S151-T194 WeakPolarHBondContact O-CG2 3.33Å; S151-T194 PolarHBondContact O-OG1 3.17Å; S151-T194 WeakPolarHBondContact OG-CG2 3.4Å; S151-T194 PolarHBondContact OG-OG1 3.09Å; S151-W195 WeakPolarHBondContact CB-O 3.18Å; S151-W195 PolarHBondContact OG-O 3.29Å |
| 152 | S | 96.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 15.7 Ų | 15.7 | 27% | 0.273 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -74.7 | -31.6 | -176.4 | 60 | 0 | 0 | 0 | 0 | 112.2 | V154 A155 F156 | S152-V154 VanDerWaalsContact C-N 3.31Å; S152-V154 PolarHBondContact O-N 3.26Å; S152-A155 PolarHBondContact O-N 3.04Å; S152-A155 VanDerWaalsContact O-N 3.13Å; S152-F156 WeakPolarHBondContact O-CB 3.36Å; S152-F156 PolarHBondContact O-N 2.89Å |
| 153 | G | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.8 | -37.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q138 D150 A157 | Q138-G153 WeakPolarHBondContact O-CA 3.25Å; D150-G153 VanDerWaalsContact OD1-CA 3.29Å; D150-G153 WeakPolarHBondContact OD1-CA 3.45Å; D150-G153 PolarHBondContact OD1-N 3.19Å; G153-A157 WeakPolarHBondContact O-CB 3.25Å; G153-A157 PolarHBondContact O-N 3.4Å |
| 154 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 171.7 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | I122 L126 L149 D150 S151 S152 A157 V158 W195 | I122-V154 HydrophobicContact CG2-CG1 4.17Å; L126-V154 HydrophobicContact CD1-CG2 3.8Å; L149-V154 HydrophobicContact CB-CG2 3.56Å; L149-V154 HydrophobicContact CD1-CB 4.49Å; L149-V154 HydrophobicContact CD1-CG2 3.94Å; L149-V154 HydrophobicContact CG-CG2 4.41Å; D150-V154 WeakPolarHBondContact O-CG2 3.32Å; D150-V154 PolarHBondContact O-N 3.19Å; D150-V154 VanDerWaalsContact O-N 3.12Å; S151-V154 PolarHBondContact O-N 3.12Å; S152-V154 VanDerWaalsContact C-N 3.31Å; S152-V154 PolarHBondContact O-N 3.26Å; V154-A157 PolarHBondContact O-N 2.81Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3.04Å; V154-W195 HydrophobicContact CG2-CH2 4.25Å; V154-W195 HydrophobicContact CG2-CZ3 3.93Å |
| 155 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S151 S152 A157 V158 V159 L172 A179 V193 T194 | S151-A155 PolarHBondContact O-N 2.81Å; S152-A155 PolarHBondContact O-N 3.04Å; S152-A155 VanDerWaalsContact O-N 3.13Å; A155-A157 PolarHBondContact O-N 2.66Å; A155-V158 WeakPolarHBondContact O-CB 3.35Å; A155-V158 PolarHBondContact O-N 3.5Å; A155-V159 PolarHBondContact O-N 3.37Å; A155-V159 VanDerWaalsContact O-N 3.16Å; A155-L172 HydrophobicContact CB-CD1 3.89Å; A155-A179 HydrophobicContact CB-CB 3.69Å; A155-A179 WeakPolarHBondContact CB-O 3.32Å; A155-V193 HydrophobicContact CB-CG2 3.85Å; A155-T194 HydrophobicContact CB-CG2 4.49Å |
| 156 | F | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 173.7 | 174.9 | -93.6 | 0 | 0 | 0 | 112.7 | L34 S38 L140 S152 V158 V159 A160 F235 M236 | L34-F156 HydrophobicContact CB-CE2 4.45Å; L34-F156 HydrophobicContact CB-CZ 4.1Å; L34-F156 HydrophobicContact CD2-CE2 4.47Å; S38-F156 WeakPolarHBondContact OG-CE1 3.33Å; L140-F156 HydrophobicContact CD1-CE1 4.27Å; L140-F156 HydrophobicContact CG-CE1 4.21Å; S152-F156 WeakPolarHBondContact O-CB 3.36Å; S152-F156 PolarHBondContact O-N 2.89Å; F156-V158 VanDerWaalsContact C-N 3.27Å; F156-V158 PolarHBondContact O-N 2.8Å; F156-V159 PolarHBondContact O-N 3.22Å; F156-V159 VanDerWaalsContact O-N 3.09Å; F156-A160 HydrophobicContact CE1-CB 4.46Å; F156-A160 PolarHBondContact O-N 2.83Å; F156-F235 HydrophobicContact CB-CD1 4.25Å; F156-F235 HydrophobicContact CB-CE1 3.63Å; F156-F235 HydrophobicContact CB-CZ 4.46Å; F156-F235 AromaticContact CD2-CD1 3.7Å; F156-F235 HydrophobicContact CD2-CD1 3.7Å; F156-F235 AromaticContact CD2-CE1 3.92Å; F156-F235 HydrophobicContact CD2-CE1 3.92Å; F156-F235 HydrophobicContact CE2-CD1 4.46Å; F156-F235 HydrophobicContact CG-CD1 4.18Å; F156-F235 AromaticContact CG-CE1 3.9Å; F156-F235 HydrophobicContact CG-CE1 3.9Å; F156-M236 HydrophobicContact CE2-CB 4.17Å; F156-M236 HydrophobicContact CE2-CE 3.69Å; F156-M236 HydrophobicContact CZ-CB 4.23Å; F156-M236 HydrophobicContact CZ-CE 3.51Å; F156-M236 HydrophobicContact CZ-SD 4.15Å |
| 157 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.6 | -31.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I122 L140 L143 L149 G153 V154 A155 A161 | I122-A157 HydrophobicContact CD1-CB 4.18Å; I122-A157 HydrophobicContact CG1-CB 4.45Å; I122-A157 HydrophobicContact CG2-CB 4.08Å; L140-A157 HydrophobicContact CD2-CB 3.61Å; L143-A157 HydrophobicContact CD2-CB 4.34Å; L149-A157 HydrophobicContact CD1-CB 3.57Å; G153-A157 WeakPolarHBondContact O-CB 3.25Å; G153-A157 PolarHBondContact O-N 3.4Å; V154-A157 PolarHBondContact O-N 2.81Å; A155-A157 PolarHBondContact O-N 2.66Å; A157-A161 VanDerWaalsContact O-CB 3.24Å; A157-A161 WeakPolarHBondContact O-CB 3.48Å; A157-A161 PolarHBondContact O-N 3.44Å |
| 158 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 171.3 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V118 I122 V154 A155 F156 A161 C162 V181 V193 | V118-V158 HydrophobicContact CB-CG1 4.42Å; V118-V158 HydrophobicContact CG1-CG1 4.04Å; I122-V158 HydrophobicContact CB-CG2 4.04Å; I122-V158 HydrophobicContact CG1-CG2 3.76Å; I122-V158 HydrophobicContact CG2-CG2 4.48Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3.04Å; A155-V158 WeakPolarHBondContact O-CB 3.35Å; A155-V158 PolarHBondContact O-N 3.5Å; F156-V158 VanDerWaalsContact C-N 3.27Å; F156-V158 PolarHBondContact O-N 2.8Å; V158-A161 PolarHBondContact O-N 3.04Å; V158-C162 WeakPolarHBondContact O-CB 3.31Å; V158-C162 PolarHBondContact O-N 3.33Å; V158-C162 PolarHBondContact O-SG 2.98Å; V158-V181 HydrophobicContact CG1-CG1 4.37Å; V158-V193 HydrophobicContact CG1-CG1 4.19Å; V158-V193 HydrophobicContact CG2-CB 4.34Å |
| 159 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | L34 A155 F156 A161 C162 Q163 L172 V181 | L34-V159 HydrophobicContact CD1-CG1 4.06Å; A155-V159 PolarHBondContact O-N 3.37Å; A155-V159 VanDerWaalsContact O-N 3.16Å; F156-V159 PolarHBondContact O-N 3.22Å; F156-V159 VanDerWaalsContact O-N 3.09Å; V159-A161 PolarHBondContact O-N 3.01Å; V159-C162 WeakPolarHBondContact O-CB 3.44Å; V159-C162 PolarHBondContact O-N 3.09Å; V159-Q163 PolarHBondContact O-N 3.32Å; V159-L172 HydrophobicContact CG2-CB 4.07Å; V159-L172 HydrophobicContact CG2-CD1 4.12Å; V159-V181 HydrophobicContact CG2-CG1 3.53Å |
| 160 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L34 F90 L140 F156 Q163 V164 | L34-A160 HydrophobicContact CB-CB 4.15Å; F90-A160 HydrophobicContact CE1-CB 4.39Å; F90-A160 HydrophobicContact CZ-CB 4.33Å; L140-A160 HydrophobicContact CD1-CB 3.89Å; F156-A160 HydrophobicContact CE1-CB 4.46Å; F156-A160 PolarHBondContact O-N 2.83Å; A160-Q163 PolarHBondContact O-N 2.92Å; A160-V164 WeakPolarHBondContact O-CG2 3.35Å; A160-V164 PolarHBondContact O-N 3.14Å |
| 161 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F90 I94 V118 I122 A157 V158 V159 V164 L165 | F90-A161 HydrophobicContact CZ-CB 4.05Å; I94-A161 HydrophobicContact CD1-CB 3.69Å; I94-A161 HydrophobicContact CG1-CB 3.8Å; I94-A161 HydrophobicContact CG2-CB 3.93Å; V118-A161 HydrophobicContact CG1-CB 3.52Å; I122-A161 HydrophobicContact CD1-CB 4.22Å; A157-A161 VanDerWaalsContact O-CB 3.24Å; A157-A161 WeakPolarHBondContact O-CB 3.48Å; A157-A161 PolarHBondContact O-N 3.44Å; V158-A161 PolarHBondContact O-N 3.04Å; V159-A161 PolarHBondContact O-N 3.01Å; A161-V164 WeakPolarHBondContact O-CB 3.4Å; A161-V164 PolarHBondContact O-N 3.39Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 3.45Å; A161-L165 VanDerWaalsContact O-N 3.15Å |
| 162 | C | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63 | -42 | 171.9 | -76.6 | 0 | 0 | 0 | 0 | 112.2 | V158 V159 V164 L165 G166 L167 V170 | V158-C162 WeakPolarHBondContact O-CB 3.31Å; V158-C162 PolarHBondContact O-N 3.33Å; V158-C162 PolarHBondContact O-SG 2.98Å; V159-C162 WeakPolarHBondContact O-CB 3.44Å; V159-C162 PolarHBondContact O-N 3.09Å; C162-V164 PolarHBondContact O-N 3.2Å; C162-L165 CarbonylContact O-C 3.58Å; C162-L165 PolarHBondContact O-N 3.4Å; C162-L165 VanDerWaalsContact O-N 3.15Å; C162-G166 PolarHBondContact O-N 2.83Å; C162-L167 HydrophobicContact CB-CB 4.01Å; C162-L167 HydrophobicContact CB-CD1 4.31Å; C162-L167 WeakPolarHBondContact O-CB 3.4Å; C162-L167 PolarHBondContact O-N 3.15Å; C162-V170 HydrophobicContact CB-CB 3.82Å; C162-V170 HydrophobicContact CB-CG1 4.05Å; C162-V170 HydrophobicContact CB-CG2 4.14Å |
| 163 | Q | 98 | Very high | 97.8 | Very high | 29 Ų | 29 | 13.4 Ų | 13.4 | 14% | 0.136 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 174 | -162.6 | -170.1 | 41.6 | 0 | 0 | 111.4 | E31 P32 L34 V159 A160 L165 G166 | E31-Q163 PolarHBondContact OE2-NE2 3.21Å; P32-Q163 PolarHBondContact O-NE2 2.54Å; P32-Q163 PolarHBondContact O-OE1 3.4Å; L34-Q163 VanDerWaalsContact N-OE1 3.08Å; V159-Q163 PolarHBondContact O-N 3.32Å; A160-Q163 PolarHBondContact O-N 2.92Å; Q163-L165 PolarHBondContact O-N 3.1Å; Q163-G166 PolarHBondContact O-N 3.45Å |
| 164 | V | 97.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 13.8 Ų | 13.8 | 7% | 0.067 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.7 | -27.3 | 175.4 | 162.8 | 0 | 0 | 0 | 0 | 113.3 | A35 F90 T91 I94 R95 A160 A161 C162 | A35-V164 HydrophobicContact CB-CG2 4.25Å; F90-V164 HydrophobicContact CD1-CG2 4.32Å; F90-V164 HydrophobicContact CE1-CG2 3.94Å; T91-V164 HydrophobicContact CG2-CB 4.42Å; T91-V164 HydrophobicContact CG2-CG1 3.71Å; T91-V164 HydrophobicContact CG2-CG2 3.75Å; I94-V164 HydrophobicContact CB-CG1 4.36Å; I94-V164 HydrophobicContact CG2-CG1 4.37Å; R95-V164 HydrophobicContact CG-CG1 4.33Å; R95-V164 PolarHBondContact NE-O 2.99Å; R95-V164 PolarHBondContact NH2-O 2.84Å; A160-V164 WeakPolarHBondContact O-CG2 3.35Å; A160-V164 PolarHBondContact O-N 3.14Å; A161-V164 WeakPolarHBondContact O-CB 3.4Å; A161-V164 PolarHBondContact O-N 3.39Å; C162-V164 PolarHBondContact O-N 3.2Å |
| 165 | L | 96.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 14 Ų | 14 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.1 | 174.7 | -69.1 | 169.6 | 0 | 0 | 0 | 113.7 | I94 R95 V98 L100 V118 A161 C162 Q163 L167 | I94-L165 HydrophobicContact CG2-CD1 3.76Å; I94-L165 HydrophobicContact CG2-CD2 4.12Å; I94-L165 HydrophobicContact CG2-CG 3.75Å; R95-L165 HydrophobicContact CG-CD2 4.13Å; V98-L165 HydrophobicContact CB-CD1 3.98Å; V98-L165 HydrophobicContact CB-CD2 4.35Å; V98-L165 HydrophobicContact CG1-CD1 3.83Å; V98-L165 HydrophobicContact CG2-CD1 4.24Å; L100-L165 HydrophobicContact CD1-CB 4.36Å; L100-L165 HydrophobicContact CD1-CD2 4.15Å; L100-L165 HydrophobicContact CD2-CB 4.42Å; L100-L165 HydrophobicContact CD2-CD2 4.33Å; L100-L165 HydrophobicContact CG-CD2 4.23Å; V118-L165 HydrophobicContact CG2-CD1 3.76Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 3.45Å; A161-L165 VanDerWaalsContact O-N 3.15Å; C162-L165 CarbonylContact O-C 3.58Å; C162-L165 PolarHBondContact O-N 3.4Å; C162-L165 VanDerWaalsContact O-N 3.15Å; Q163-L165 PolarHBondContact O-N 3.1Å; L165-L167 HydrophobicContact CB-CD1 4.18Å; L165-L167 HydrophobicContact CB-CG 3.9Å; L165-L167 HydrophobicContact CD1-CD1 4.35Å |
| 166 | G | 95.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 14.8 Ų | 14.8 | 35% | 0.351 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 28.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R105 C162 Q163 K168 | R105-G166 PolarHBondContact NH1-O 3.31Å; R105-G166 PolarHBondContact NH2-O 3.34Å; C162-G166 PolarHBondContact O-N 2.83Å; Q163-G166 PolarHBondContact O-N 3.45Å; G166-K168 VanDerWaalsContact C-N 3.31Å; G166-K168 PolarHBondContact O-N 2.59Å |
| 167 | L | 95.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -91.5 | 66.7 | 176.5 | -50.9 | -176.5 | 0 | 0 | 0 | 109.5 | L100 L114 C162 L165 D169 V170 | L100-L167 HydrophobicContact CD2-CD2 4.38Å; L114-L167 HydrophobicContact CD1-CD1 4.24Å; L114-L167 HydrophobicContact CD2-CD1 3.66Å; L114-L167 HydrophobicContact CD2-CD2 3.82Å; L114-L167 HydrophobicContact CD2-CG 4.41Å; L114-L167 HydrophobicContact CG-CD1 3.8Å; C162-L167 HydrophobicContact CB-CB 4.01Å; C162-L167 HydrophobicContact CB-CD1 4.31Å; C162-L167 WeakPolarHBondContact O-CB 3.4Å; C162-L167 PolarHBondContact O-N 3.15Å; L165-L167 HydrophobicContact CB-CD1 4.18Å; L165-L167 HydrophobicContact CB-CG 3.9Å; L165-L167 HydrophobicContact CD1-CD1 4.35Å; L167-D169 PolarHBondContact O-N 2.98Å; L167-D169 VanDerWaalsContact O-N 3.09Å; L167-V170 HydrophobicContact CB-CG2 3.99Å; L167-V170 PolarHBondContact O-N 3.36Å; L167-V170 VanDerWaalsContact O-N 3.11Å | ||
| 168 | K | 94.8 | Very high | 97.7 | Very high | 120 Ų | 120 | 17.7 Ų | 17.7 | 52% | 0.522 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.9 | -172.4 | -67.2 | 179.7 | 149.7 | -79.6 | 0 | 114.6 | E31 G166 H171 R229 | E31-K168 WeakPolarHBondContact OE1-CG 3.31Å; E31-K168 IonicContact OE1-NZ 3.95Å; E31-K168 PolarHBondContact OE1-NZ 3.37Å; G166-K168 VanDerWaalsContact C-N 3.31Å; G166-K168 PolarHBondContact O-N 2.59Å; K168-H171 PolarHBondContact O-NE2 3.4Å; K168-R229 PolarHBondContact O-NH2 2.94Å |
| 169 | D | 95.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 17.8 Ų | 17.8 | 17% | 0.166 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.7 | -178.5 | 61.9 | -65.4 | 0 | 0 | 0 | 114 | S110 L167 F183 G184 | S110-D169 VanDerWaalsContact CB-OD2 3.26Å; S110-D169 WeakPolarHBondContact CB-OD2 3.49Å; S110-D169 PolarHBondContact N-OD2 3.12Å; S110-D169 PolarHBondContact OG-OD1 3Å; S110-D169 PolarHBondContact OG-OD2 2.72Å; L167-D169 PolarHBondContact O-N 2.98Å; L167-D169 VanDerWaalsContact O-N 3.09Å; D169-F183 WeakPolarHBondContact O-CA 3.36Å; D169-G184 PolarHBondContact OD2-N 2.92Å; D169-G184 VanDerWaalsContact OD2-N 3.17Å |
| 170 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -83.8 | 125.7 | 178.6 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | V115 C162 L167 V181 I182 F183 R229 | V115-V170 HydrophobicContact CG2-CG2 3.96Å; C162-V170 HydrophobicContact CB-CB 3.82Å; C162-V170 HydrophobicContact CB-CG1 4.05Å; C162-V170 HydrophobicContact CB-CG2 4.14Å; L167-V170 HydrophobicContact CB-CG2 3.99Å; L167-V170 PolarHBondContact O-N 3.36Å; L167-V170 VanDerWaalsContact O-N 3.11Å; V170-V181 HydrophobicContact CG1-CB 4.13Å; V170-V181 HydrophobicContact CG1-CG1 4.42Å; V170-V181 HydrophobicContact CG1-CG2 4.32Å; V170-I182 WeakPolarHBondContact CA-O 3.33Å; V170-F183 HydrophobicContact CB-CB 4.46Å; V170-F183 HydrophobicContact CG2-CB 3.99Å; V170-R229 PolarHBondContact O-NH1 2.95Å; V170-R229 PolarHBondContact O-NH2 3.26Å | ||
| 171 | H | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 17.8 Ų | 17.8 | 18% | 0.181 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.7 | -173.7 | -81.3 | -71.8 | 0 | 0 | 0 | 112.3 | K168 V181 I182 C227 R229 E232 | K168-H171 PolarHBondContact O-NE2 3.4Å; H171-V181 CarbonylContact O-C 3.41Å; H171-V181 VanDerWaalsContact O-CA 3.26Å; H171-V181 WeakPolarHBondContact O-CA 3.34Å; H171-V181 WeakPolarHBondContact O-CB 3.45Å; H171-I182 HydrophobicContact CB-CD1 4.19Å; H171-I182 HydrophobicContact CB-CG1 3.76Å; H171-I182 PolarHBondContact N-O 3.39Å; H171-I182 PolarHBondContact O-N 3.25Å; H171-C227 WeakPolarHBondContact CB-O 3.42Å; H171-C227 PolarHBondContact ND1-O 2.64Å; H171-R229 PolarHBondContact CE1-NH1 3.31Å; H171-R229 PolarHBondContact CE1-NH2 2.99Å; H171-R229 PolarHBondContact ND1-NH1 3.42Å; H171-E232 VanDerWaalsContact CA-OE1 3.23Å; H171-E232 WeakPolarHBondContact CA-OE1 3.35Å; H171-E232 WeakPolarHBondContact CB-OE1 3.45Å; H171-E232 IonicContact CE1-OE1 3.17Å; H171-E232 IonicContact CG-OE1 2.63Å; H171-E232 IonicContact ND1-OE1 2.73Å; H171-E232 PolarHBondContact ND1-OE1 2.98Å; H171-E232 IonicContact ND1-OE2 2.75Å |
| 172 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.7 | 177.4 | -166.1 | 63.5 | 0 | 0 | 0 | 110.9 | A155 V159 L174 C227 E232 F235 | A155-L172 HydrophobicContact CB-CD1 3.89Å; V159-L172 HydrophobicContact CG2-CB 4.07Å; V159-L172 HydrophobicContact CG2-CD1 4.12Å; L172-L174 HydrophobicContact CD1-CD2 4.49Å; L172-L174 HydrophobicContact CD2-CD1 4.18Å; L172-L174 HydrophobicContact CD2-CD2 3.93Å; L172-L174 HydrophobicContact CD2-CG 4.13Å; L172-L174 HydrophobicContact CG-CD2 3.98Å; L172-L174 HydrophobicContact CG-CG 4.1Å; L172-C227 HydrophobicContact CB-CB 4.17Å; L172-C227 WeakPolarHBondContact O-CB 3.47Å; L172-C227 PolarHBondContact O-N 2.9Å; L172-C227 PolarHBondContact O-SG 3.3Å; L172-C227 VanDerWaalsContact O-SG 3.37Å; L172-E232 HydrophobicContact CB-CG 3.7Å; L172-E232 HydrophobicContact CD2-CG 4.45Å; L172-E232 PolarHBondContact N-OE1 2.78Å; L172-F235 HydrophobicContact CD2-CB 4.1Å; L172-F235 HydrophobicContact CD2-CD1 3.74Å; L172-F235 HydrophobicContact CD2-CD2 4.05Å; L172-F235 HydrophobicContact CD2-CE1 4.24Å; L172-F235 HydrophobicContact CD2-CE2 4.49Å; L172-F235 HydrophobicContact CD2-CG 3.65Å |
| 173 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A179 W180 I182 Y224 M225 | A173-A179 WeakPolarHBondContact O-CA 3.27Å; A173-W180 HydrophobicContact CB-CD2 3.91Å; A173-W180 HydrophobicContact CB-CG 3.92Å; A173-W180 HydrophobicContact CB-CZ2 4.25Å; A173-W180 PolarHBondContact N-O 2.94Å; A173-W180 PolarHBondContact O-N 3.47Å; A173-I182 HydrophobicContact CB-CG2 4.07Å; A173-Y224 HydrophobicContact CB-CD2 4.16Å; A173-Y224 HydrophobicContact CB-CE2 4.16Å; A173-M225 WeakPolarHBondContact CA-O 3.37Å |
| 174 | L | 98.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 5% | 0.047 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.9 | -177.2 | -60.1 | 170.7 | 0 | 0 | 0 | 109.8 | L172 A179 Y224 M225 F235 | L172-L174 HydrophobicContact CD1-CD2 4.49Å; L172-L174 HydrophobicContact CD2-CD1 4.18Å; L172-L174 HydrophobicContact CD2-CD2 3.93Å; L172-L174 HydrophobicContact CD2-CG 4.13Å; L172-L174 HydrophobicContact CG-CD2 3.98Å; L172-L174 HydrophobicContact CG-CG 4.1Å; L174-A179 HydrophobicContact CD2-CB 3.69Å; L174-Y224 WeakPolarHBondContact O-CB 3.37Å; L174-M225 HydrophobicContact CB-CB 4.26Å; L174-M225 HydrophobicContact CD1-CE 4.23Å; L174-M225 PolarHBondContact N-O 2.9Å; L174-M225 PolarHBondContact O-N 2.73Å; L174-F235 HydrophobicContact CD1-CB 4.23Å; L174-F235 HydrophobicContact CD1-CD2 3.58Å; L174-F235 HydrophobicContact CD1-CE2 4.4Å; L174-F235 HydrophobicContact CD1-CG 4.21Å; L174-F235 HydrophobicContact CD2-CD2 3.87Å; L174-F235 HydrophobicContact CD2-CE2 3.87Å; L174-F235 HydrophobicContact CG-CD2 4.38Å |
| 175 | S | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | trans | -89.3 | -161.9 | 153.5 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | H178 L218 | S175-H178 PolarHBondContact N-O 3.42Å; S175-H178 PolarHBondContact OG-N 3.26Å; S175-H178 PolarHBondContact OG-O 2.93Å; S175-L218 WeakPolarHBondContact CB-O 3.45Å; S175-L218 PolarHBondContact OG-O 3.03Å | ||
| 176 | E | 98.4 | Very high | 96 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -81.4 | -14.2 | 177.5 | -74.5 | -173.1 | 131.3 | 0 | 0 | 113.5 | W217 L220 M275 H314 I315 Y316 P317 | E176-W217 HydrophobicContact CB-CH2 4.15Å; E176-W217 HydrophobicContact CB-CZ2 3.38Å; E176-W217 HydrophobicContact CG-CZ2 4.48Å; E176-W217 PolarHBondContact OE2-NE1 3.35Å; E176-L220 HydrophobicContact CG-CD1 4.13Å; E176-L220 HydrophobicContact CG-CD2 4.24Å; E176-M275 HydrophobicContact CB-SD 4.34Å; E176-M275 HydrophobicContact CG-CE 4.1Å; E176-M275 HydrophobicContact CG-SD 3.99Å; E176-H314 WeakPolarHBondContact OE1-CB 3.33Å; E176-I315 VanDerWaalsContact CD-N 3.29Å; E176-I315 PolarHBondContact OE1-N 2.86Å; E176-I315 PolarHBondContact OE2-N 3.17Å; E176-Y316 HydrophobicContact CB-CD2 3.7Å; E176-Y316 HydrophobicContact CB-CE2 3.92Å; E176-Y316 HydrophobicContact CG-CD2 3.95Å; E176-Y316 WeakPolarHBondContact OE1-CB 3.42Å; E176-Y316 PolarHBondContact OE1-N 2.9Å; E176-P317 WeakPolarHBondContact OE1-CD 3.44Å |
| 177 | D | 97.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 28 Ų | 28 | 30% | 0.299 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -143.5 | 2.5 | 179.1 | -175.6 | 49.8 | 0 | 0 | 0 | 114.5 | H196 W217 L218 | D177-H196 IonicContact OD2-CD2 3.62Å; D177-H196 IonicContact OD2-CE1 3.78Å; D177-H196 PolarHBondContact OD2-CE1 3.06Å; D177-H196 IonicContact OD2-NE2 2.66Å; D177-H196 PolarHBondContact OD2-NE2 3.43Å; D177-W217 HydrophobicContact CB-CH2 3.53Å; D177-W217 HydrophobicContact CB-CZ3 3.5Å; D177-L218 HydrophobicContact CB-CD1 4.29Å |
| 178 | H | 97.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | trans | -142.2 | 154.8 | -179.5 | -173.4 | 39.6 | 0 | 0 | 0 | 113.5 | S175 W180 E192 L218 Y219 | S175-H178 PolarHBondContact N-O 3.42Å; S175-H178 PolarHBondContact OG-N 3.26Å; S175-H178 PolarHBondContact OG-O 2.93Å; H178-W180 HydrophobicContact CB-CZ3 4.3Å; H178-W180 AromaticContact CD2-CE3 3.6Å; H178-W180 AromaticContact CD2-CZ3 3.93Å; H178-E192 IonicContact CD2-OE1 3.6Å; H178-E192 IonicContact CE1-OE1 3.62Å; H178-E192 IonicContact CE1-OE2 3.29Å; H178-E192 PolarHBondContact CE1-OE2 3.07Å; H178-E192 VanDerWaalsContact NE2-CD 3.27Å; H178-E192 IonicContact NE2-OE1 3.36Å; H178-E192 PolarHBondContact NE2-OE1 2.82Å; H178-E192 IonicContact NE2-OE2 2.8Å; H178-E192 PolarHBondContact NE2-OE2 3.19Å; H178-L218 HydrophobicContact CB-CD1 3.64Å; H178-L218 HydrophobicContact CB-CG 4.07Å; H178-Y219 AromaticContact CD2-CE1 3.78Å | ||
| 179 | A | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 127.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A155 A173 L174 T194 | A155-A179 HydrophobicContact CB-CB 3.69Å; A155-A179 WeakPolarHBondContact CB-O 3.32Å; A173-A179 WeakPolarHBondContact O-CA 3.27Å; L174-A179 HydrophobicContact CD2-CB 3.69Å; A179-T194 WeakPolarHBondContact O-CG2 3.45Å |
| 180 | W | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | -167 | 176.8 | 63.7 | 96.1 | 0 | 0 | 0 | 110 | A173 H178 V208 Y219 Y224 | A173-W180 HydrophobicContact CB-CD2 3.91Å; A173-W180 HydrophobicContact CB-CG 3.92Å; A173-W180 HydrophobicContact CB-CZ2 4.25Å; A173-W180 PolarHBondContact N-O 2.94Å; A173-W180 PolarHBondContact O-N 3.47Å; H178-W180 HydrophobicContact CB-CZ3 4.3Å; H178-W180 AromaticContact CD2-CE3 3.6Å; H178-W180 AromaticContact CD2-CZ3 3.93Å; W180-V208 HydrophobicContact CD2-CG1 3.85Å; W180-V208 HydrophobicContact CG-CG1 3.89Å; W180-V208 HydrophobicContact CZ2-CG1 4.27Å; W180-V208 HydrophobicContact CZ2-CG2 4.07Å; W180-Y219 HydrophobicContact CE3-CD1 4.43Å; W180-Y219 HydrophobicContact CE3-CE1 4.45Å; W180-Y219 AromaticContact CH2-CD1 3.76Å; W180-Y219 HydrophobicContact CH2-CD1 3.76Å; W180-Y219 HydrophobicContact CZ2-CD1 4.21Å; W180-Y219 AromaticContact CZ3-CD1 3.89Å; W180-Y219 HydrophobicContact CZ3-CD1 3.89Å; W180-Y219 HydrophobicContact CZ3-CE1 4.28Å; W180-Y224 HydrophobicContact CH2-CD1 4.09Å; W180-Y224 HydrophobicContact CH2-CD2 4.22Å; W180-Y224 AromaticContact CH2-CG 3.81Å; W180-Y224 HydrophobicContact CH2-CG 3.81Å; W180-Y224 AromaticContact CZ2-CD1 3.58Å; W180-Y224 HydrophobicContact CZ2-CD1 3.58Å; W180-Y224 AromaticContact CZ2-CD2 3.51Å; W180-Y224 HydrophobicContact CZ2-CD2 3.51Å; W180-Y224 AromaticContact CZ2-CE1 3.88Å; W180-Y224 HydrophobicContact CZ2-CE1 3.88Å; W180-Y224 AromaticContact CZ2-CE2 3.8Å; W180-Y224 HydrophobicContact CZ2-CE2 3.8Å; W180-Y224 AromaticContact CZ2-CG 3.4Å; W180-Y224 HydrophobicContact CZ2-CG 3.4Å; W180-Y224 VanDerWaalsContact CZ2-CG 3.4Å; W180-Y224 AromaticContact CZ2-CZ 3.99Å |
| 181 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.6 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | V115 V158 V159 V170 H171 T190 A191 V193 | V115-V181 HydrophobicContact CG1-CG2 3.53Å; V158-V181 HydrophobicContact CG1-CG1 4.37Å; V159-V181 HydrophobicContact CG2-CG1 3.53Å; V170-V181 HydrophobicContact CG1-CB 4.13Å; V170-V181 HydrophobicContact CG1-CG1 4.42Å; V170-V181 HydrophobicContact CG1-CG2 4.32Å; H171-V181 CarbonylContact O-C 3.41Å; H171-V181 VanDerWaalsContact O-CA 3.26Å; H171-V181 WeakPolarHBondContact O-CA 3.34Å; H171-V181 WeakPolarHBondContact O-CB 3.45Å; V181-T190 CarbonylContact O-C 3.59Å; V181-T190 WeakPolarHBondContact O-CA 3.37Å; V181-A191 HydrophobicContact CG2-CB 4.13Å; V181-A191 PolarHBondContact N-O 3.41Å; V181-A191 VanDerWaalsContact N-O 3.1Å; V181-A191 PolarHBondContact O-N 2.95Å; V181-V193 HydrophobicContact CG1-CG1 4.37Å; V181-V193 HydrophobicContact CG1-CG2 4Å; V181-V193 HydrophobicContact CG2-CG1 3.71Å |
| 182 | I | 98.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 152.1 | 163.1 | 58.5 | -177.4 | 0 | 0 | 0 | 110.2 | V170 H171 A173 E189 T190 Y224 K226 | V170-I182 WeakPolarHBondContact CA-O 3.33Å; H171-I182 HydrophobicContact CB-CD1 4.19Å; H171-I182 HydrophobicContact CB-CG1 3.76Å; H171-I182 PolarHBondContact N-O 3.39Å; H171-I182 PolarHBondContact O-N 3.25Å; A173-I182 HydrophobicContact CB-CG2 4.07Å; I182-E189 CarbonylContact C-O 3.56Å; I182-E189 VanDerWaalsContact CA-O 3.23Å; I182-E189 WeakPolarHBondContact CA-O 3.25Å; I182-T190 HydrophobicContact CG2-CG2 4.18Å; I182-Y224 HydrophobicContact CG2-CE2 4.24Å; I182-K226 HydrophobicContact CD1-CB 3.54Å; I182-K226 HydrophobicContact CD1-CD 3.89Å; I182-K226 HydrophobicContact CD1-CG 3.75Å |
| 183 | F | 97 | Very high | 95.4 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | -174.2 | 178.1 | 62.4 | -80.8 | 0 | 0 | 0 | 111.9 | S110 R112 V115 D169 V170 G187 E188 E189 A191 | S110-F183 WeakPolarHBondContact O-CD2 3.38Å; R112-F183 HydrophobicContact CB-CE2 4.24Å; R112-F183 HydrophobicContact CB-CZ 3.86Å; R112-F183 HydrophobicContact CG-CZ 4.25Å; V115-F183 HydrophobicContact CG1-CD1 4.4Å; V115-F183 HydrophobicContact CG1-CE1 4.47Å; V115-F183 HydrophobicContact CG2-CB 4.33Å; V115-F183 HydrophobicContact CG2-CD1 4.07Å; V115-F183 HydrophobicContact CG2-CD2 4.09Å; V115-F183 HydrophobicContact CG2-CE1 4.42Å; V115-F183 HydrophobicContact CG2-CE2 4.42Å; V115-F183 HydrophobicContact CG2-CG 3.9Å; D169-F183 WeakPolarHBondContact O-CA 3.36Å; V170-F183 HydrophobicContact CB-CB 4.46Å; V170-F183 HydrophobicContact CG2-CB 3.99Å; F183-G187 WeakPolarHBondContact O-CA 3.18Å; F183-E188 PolarHBondContact O-N 3.09Å; F183-E189 HydrophobicContact CD1-CB 4.04Å; F183-E189 HydrophobicContact CD2-CB 3.84Å; F183-E189 HydrophobicContact CD2-CG 4.44Å; F183-E189 HydrophobicContact CE1-CB 3.78Å; F183-E189 HydrophobicContact CE2-CB 3.59Å; F183-E189 HydrophobicContact CE2-CG 3.99Å; F183-E189 HydrophobicContact CG-CB 4.06Å; F183-E189 HydrophobicContact CZ-CB 3.56Å; F183-E189 HydrophobicContact CZ-CG 4.22Å; F183-E189 PolarHBondContact N-O 3.2Å; F183-E189 PolarHBondContact O-N 2.81Å; F183-A191 HydrophobicContact CD1-CB 4.44Å; F183-A191 HydrophobicContact CE1-CB 3.66Å |
| 184 | G | 91.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 73.6 | -158.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S108 D169 N186 | S108-G184 CarbonylContact O-C 3.54Å; S108-G184 VanDerWaalsContact O-C 3.32Å; S108-G184 VanDerWaalsContact O-CA 3.29Å; S108-G184 WeakPolarHBondContact O-CA 3.24Å; D169-G184 PolarHBondContact OD2-N 2.92Å; D169-G184 VanDerWaalsContact OD2-N 3.17Å; G184-N186 PolarHBondContact O-N 2.88Å |
| 185 | K | 85.4 | Confident | 95 | Very high | 126 Ų | 126 | 30.4 Ų | 30.4 | 55% | 0.548 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -72 | 124.1 | -176.1 | -170.7 | -171.3 | 173.7 | -164.8 | 0 | 109.6 | S108 G187 E188 | S108-K185 PolarHBondContact O-N 2.82Å; S108-K185 VanDerWaalsContact O-N 3.12Å; K185-G187 PolarHBondContact O-N 3.03Å; K185-E188 WeakPolarHBondContact CB-OE1 3.25Å; K185-E188 WeakPolarHBondContact O-CB 3.38Å; K185-E188 WeakPolarHBondContact O-CG 3.44Å; K185-E188 PolarHBondContact O-N 3.44Å; K185-E188 VanDerWaalsContact O-N 3.09Å |
| 186 | N | 81.9 | Confident | 94.6 | Very high | 149 Ų | 149 | 32 Ų | 32 | 80% | 0.797 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | 55.7 | 18.5 | 178.3 | -53.5 | -7.4 | 0 | 0 | 0 | 115.2 | G184 | G184-N186 PolarHBondContact O-N 2.88Š|
| 187 | G | 87.5 | Confident | 93.8 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | 66.6 | 40.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F183 K185 K226 | F183-G187 WeakPolarHBondContact O-CA 3.18Å; K185-G187 PolarHBondContact O-N 3.03Å; G187-K226 PolarHBondContact O-NZ 2.87Å |
| 188 | E | 90.8 | Very high | 92.6 | Very high | 123 Ų | 123 | 38.3 Ų | 38.3 | 58% | 0.575 | 19% | 0.194 | S | C | * | . | trans | -77.2 | -32.3 | 176.1 | 70.7 | -164.7 | 170.5 | 0 | 0 | 113 | F183 K185 | F183-E188 PolarHBondContact O-N 3.09Å; K185-E188 WeakPolarHBondContact CB-OE1 3.25Å; K185-E188 WeakPolarHBondContact O-CB 3.38Å; K185-E188 WeakPolarHBondContact O-CG 3.44Å; K185-E188 PolarHBondContact O-N 3.44Å; K185-E188 VanDerWaalsContact O-N 3.09Å | ||
| 189 | E | 95.9 | Very high | 91 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 143.5 | 175.9 | -73.5 | -80.1 | -176.8 | 0 | 0 | 111.1 | R112 I182 F183 | R112-E189 IonicContact CZ-OE2 2.8Å; R112-E189 IonicContact NE-OE2 3.49Å; R112-E189 IonicContact NH2-OE2 3.04Å; R112-E189 PolarHBondContact NH2-OE2 2.67Å; I182-E189 CarbonylContact C-O 3.56Å; I182-E189 VanDerWaalsContact CA-O 3.23Å; I182-E189 WeakPolarHBondContact CA-O 3.25Å; F183-E189 HydrophobicContact CD1-CB 4.04Å; F183-E189 HydrophobicContact CD2-CB 3.84Å; F183-E189 HydrophobicContact CD2-CG 4.44Å; F183-E189 HydrophobicContact CE1-CB 3.78Å; F183-E189 HydrophobicContact CE2-CB 3.59Å; F183-E189 HydrophobicContact CE2-CG 3.99Å; F183-E189 HydrophobicContact CG-CB 4.06Å; F183-E189 HydrophobicContact CZ-CB 3.56Å; F183-E189 HydrophobicContact CZ-CG 4.22Å; F183-E189 PolarHBondContact N-O 3.2Å; F183-E189 PolarHBondContact O-N 2.81Å |
| 190 | T | 97.8 | Very high | 89 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.1 | 175.7 | 80.1 | 0 | 0 | 0 | 0 | 111.1 | R112 V181 I182 T207 V208 Y224 | R112-T190 PolarHBondContact NH1-O 2.99Å; R112-T190 PolarHBondContact NH2-O 3.27Å; V181-T190 CarbonylContact O-C 3.59Å; V181-T190 WeakPolarHBondContact O-CA 3.37Å; I182-T190 HydrophobicContact CG2-CG2 4.18Å; T190-T207 PolarHBondContact OG1-OG1 3.08Å; T190-V208 HydrophobicContact CG2-CG2 4.09Å; T190-V208 PolarHBondContact OG1-N 2.85Å; T190-V208 VanDerWaalsContact OG1-N 3.09Å; T190-Y224 WeakPolarHBondContact CG2-OH 3.19Å |
| 191 | A | 98.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 127.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V115 V181 F183 Q206 | V115-A191 HydrophobicContact CG1-CB 4.09Å; V181-A191 HydrophobicContact CG2-CB 4.13Å; V181-A191 PolarHBondContact N-O 3.41Å; V181-A191 VanDerWaalsContact N-O 3.1Å; V181-A191 PolarHBondContact O-N 2.95Å; F183-A191 HydrophobicContact CD1-CB 4.44Å; F183-A191 HydrophobicContact CE1-CB 3.66Å; A191-Q206 WeakPolarHBondContact CA-O 3.13Å |
| 192 | E | 98 | Very high | 87 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | trans | -59.2 | 135.5 | 161.7 | -79.4 | -64.1 | 169.7 | 0 | 0 | 110.8 | H178 R203 R204 G205 Q206 V208 Y219 | H178-E192 IonicContact CD2-OE1 3.6Å; H178-E192 IonicContact CE1-OE1 3.62Å; H178-E192 IonicContact CE1-OE2 3.29Å; H178-E192 PolarHBondContact CE1-OE2 3.07Å; H178-E192 VanDerWaalsContact NE2-CD 3.27Å; H178-E192 IonicContact NE2-OE1 3.36Å; H178-E192 PolarHBondContact NE2-OE1 2.82Å; H178-E192 IonicContact NE2-OE2 2.8Å; H178-E192 PolarHBondContact NE2-OE2 3.19Å; E192-R203 VanDerWaalsContact CB-O 3.29Å; E192-R203 WeakPolarHBondContact CB-O 3.34Å; E192-R203 HydrophobicContact CG-CB 4.25Å; E192-R204 CarbonylContact O-C 3.55Å; E192-R204 WeakPolarHBondContact O-CA 3.18Å; E192-G205 PolarHBondContact O-N 2.99Å; E192-Q206 PolarHBondContact N-O 3.4Å; E192-V208 HydrophobicContact CG-CG1 4.44Å; E192-Y219 PolarHBondContact OE1-OH 3.4Å | ||
| 193 | V | 97.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -136.6 | -6.5 | -176.5 | -67.2 | 0 | 0 | 0 | 0 | 114.8 | V115 S119 A155 V158 V181 R204 | V115-V193 HydrophobicContact CG1-CG1 4.39Å; S119-V193 PolarHBondContact OG-O 3.48Å; A155-V193 HydrophobicContact CB-CG2 3.85Å; V158-V193 HydrophobicContact CG1-CG1 4.19Å; V158-V193 HydrophobicContact CG2-CB 4.34Å; V181-V193 HydrophobicContact CG1-CG1 4.37Å; V181-V193 HydrophobicContact CG1-CG2 4Å; V181-V193 HydrophobicContact CG2-CG1 3.71Å; V193-R204 VanDerWaalsContact O-CD 3.28Å; V193-R204 WeakPolarHBondContact O-CD 3.49Å | ||
| 194 | T | 95.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -133.3 | -165.6 | -178.7 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | S151 A155 A179 R204 | S151-T194 WeakPolarHBondContact CA-OG1 3.49Å; S151-T194 VanDerWaalsContact O-CB 3.31Å; S151-T194 WeakPolarHBondContact O-CB 3.37Å; S151-T194 WeakPolarHBondContact O-CG2 3.33Å; S151-T194 PolarHBondContact O-OG1 3.17Å; S151-T194 WeakPolarHBondContact OG-CG2 3.4Å; S151-T194 PolarHBondContact OG-OG1 3.09Å; A155-T194 HydrophobicContact CB-CG2 4.49Å; A179-T194 WeakPolarHBondContact O-CG2 3.45Å; T194-R204 VanDerWaalsContact O-CG 3.24Å; T194-R204 WeakPolarHBondContact O-CG 3.48Å |
| 195 | W | 93 | Very high | 86.6 | Confident | 27 Ų | 27 | 63 Ų | 63 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | trans | -107 | 153.9 | 169.1 | 68.4 | 84.9 | 0 | 0 | 0 | 110.3 | W123 L126 K132 L149 S151 V154 | W123-W195 HydrophobicContact CH2-CB 4.47Å; W123-W195 AromaticContact CH2-CE3 3.94Å; W123-W195 HydrophobicContact CH2-CE3 3.94Å; W123-W195 AromaticContact CZ3-CE3 3.63Å; W123-W195 HydrophobicContact CZ3-CE3 3.63Å; W123-W195 HydrophobicContact CZ3-CZ3 4.29Å; L126-W195 HydrophobicContact CD1-CZ3 4.44Å; K132-W195 HydrophobicContact CB-CZ2 3.97Å; K132-W195 HydrophobicContact CD-CD2 4.26Å; K132-W195 HydrophobicContact CD-CH2 4.48Å; K132-W195 HydrophobicContact CD-CZ2 3.69Å; K132-W195 HydrophobicContact CG-CH2 4.24Å; K132-W195 HydrophobicContact CG-CZ2 3.64Å; L149-W195 WeakPolarHBondContact O-CH2 3.22Å; S151-W195 WeakPolarHBondContact CB-O 3.18Å; S151-W195 PolarHBondContact OG-O 3.29Å; V154-W195 HydrophobicContact CG2-CH2 4.25Å; V154-W195 HydrophobicContact CG2-CZ3 3.93Å | ||
| 196 | H | 89.8 | Confident | 87.2 | Confident | 40 Ų | 40 | 62.5 Ų | 62.5 | 19% | 0.185 | 33% | 0.328 | C | S | . | . | trans | -107.7 | 149 | 160.9 | -174.8 | -93 | 0 | 0 | 0 | 111.1 | D177 L218 E353 | D177-H196 IonicContact OD2-CD2 3.62Å; D177-H196 IonicContact OD2-CE1 3.78Å; D177-H196 PolarHBondContact OD2-CE1 3.06Å; D177-H196 IonicContact OD2-NE2 2.66Å; D177-H196 PolarHBondContact OD2-NE2 3.43Å; H196-L218 WeakPolarHBondContact NE2-CD1 3.39Å; H196-E353 PolarHBondContact CE1-O 3.38Å; H196-E353 VanDerWaalsContact CE1-O 3.24Å | ||
| 197 | G | 82.1 | Confident | 87.9 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 38% | 0.381 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | -144.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 198 | K | 72.1 | Confident | 88.3 | Confident | 165 Ų | 165 | 58.2 Ų | 58.2 | 72% | 0.717 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 16.6 | -176 | -74.5 | 154 | -178.9 | 156.2 | 0 | 113.2 | D133 | D133-K198 WeakPolarHBondContact OD2-CE 3.17Å; D133-K198 IonicContact OD2-NZ 3.37Å; D133-K198 PolarHBondContact OD2-NZ 2.96Å |
| 199 | G | 62.1 | Low | 88.5 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | trans | -72.8 | 159.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 200 | N | 57.4 | Low | 88.4 | Confident | 173 Ų | 173 | 55 Ų | 55 | 93% | 0.925 | 31% | 0.307 | S | S | * | . | trans | -102.5 | 6.1 | 175.5 | -72.6 | -41.8 | 0 | 0 | 0 | 113.1 | D202 | N200-D202 PolarHBondContact O-N 3.47Š| ||
| 201 | E | 73.3 | Confident | 88.2 | Confident | 135 Ų | 135 | 55 Ų | 55 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | trans | -84.2 | 111.1 | -179.1 | -64.5 | -173.3 | 167.6 | 0 | 0 | 111.2 | R203 | E201-R203 HydrophobicContact CB-CG 4.43Å; E201-R203 PolarHBondContact O-N 2.93Å; E201-R203 VanDerWaalsContact O-N 3.08Å; E201-R203 IonicContact OE2-CZ 2.94Å; E201-R203 IonicContact OE2-NE 3.93Å; E201-R203 PolarHBondContact OE2-NE 3.43Å; E201-R203 IonicContact OE2-NH2 3.98Å; E201-R203 PolarHBondContact OE2-NH2 3.49Å | ||
| 202 | D | 82.1 | Confident | 88.1 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | trans | -78.7 | 89.5 | 173 | -170.5 | -2.6 | 0 | 0 | 0 | 110.3 | N200 R204 | N200-D202 PolarHBondContact O-N 3.47Å; D202-R204 PolarHBondContact O-N 2.99Å; D202-R204 VanDerWaalsContact OD1-CB 3.25Å; D202-R204 WeakPolarHBondContact OD1-CB 3.48Å; D202-R204 WeakPolarHBondContact OD1-CD 3.48Å; D202-R204 WeakPolarHBondContact OD1-CG 3.24Å; D202-R204 IonicContact OD1-CZ 3.32Å; D202-R204 PolarHBondContact OD1-N 2.94Å; D202-R204 IonicContact OD1-NE 3.85Å; D202-R204 PolarHBondContact OD1-NE 3.22Å; D202-R204 IonicContact OD1-NH2 2.75Å; D202-R204 IonicContact OD2-CZ 2.62Å; D202-R204 IonicContact OD2-NE 2.8Å; D202-R204 PolarHBondContact OD2-NE 2.94Å; D202-R204 IonicContact OD2-NH2 2.72Å; D202-R204 PolarHBondContact OD2-NH2 3.02Å | ||
| 203 | R | 90.7 | Very high | 88 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | trans | -78.3 | -0.5 | 177.5 | -63 | -170.8 | -173.1 | 149 | 8.6 | 113.9 | E192 E201 G205 Q206 E353 | E192-R203 VanDerWaalsContact CB-O 3.29Å; E192-R203 WeakPolarHBondContact CB-O 3.34Å; E192-R203 HydrophobicContact CG-CB 4.25Å; E201-R203 HydrophobicContact CB-CG 4.43Å; E201-R203 PolarHBondContact O-N 2.93Å; E201-R203 VanDerWaalsContact O-N 3.08Å; E201-R203 IonicContact OE2-CZ 2.94Å; E201-R203 IonicContact OE2-NE 3.93Å; E201-R203 PolarHBondContact OE2-NE 3.43Å; E201-R203 IonicContact OE2-NH2 3.98Å; E201-R203 PolarHBondContact OE2-NH2 3.49Å; R203-G205 PolarHBondContact O-N 2.91Å; R203-Q206 WeakPolarHBondContact O-CB 3.11Å; R203-Q206 WeakPolarHBondContact O-CG 3.46Å; R203-Q206 PolarHBondContact O-N 2.89Å; R203-Q206 VanDerWaalsContact O-N 3.07Å; R203-E353 IonicContact CZ-OE1 2.7Å; R203-E353 VanDerWaalsContact CZ-OE1 3.24Å; R203-E353 IonicContact CZ-OE2 2.85Å; R203-E353 VanDerWaalsContact NH1-CD 3.29Å; R203-E353 IonicContact NH1-OE1 3.46Å; R203-E353 PolarHBondContact NH1-OE1 3.31Å; R203-E353 IonicContact NH1-OE2 3.97Å; R203-E353 PolarHBondContact NH1-OE2 3.39Å; R203-E353 IonicContact NH2-OE1 2.74Å; R203-E353 PolarHBondContact NH2-OE1 3Å; R203-E353 IonicContact NH2-OE2 3.58Å | ||
| 204 | R | 94.1 | Very high | 87.9 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 133 | -170.7 | -62.4 | 178.5 | -57.2 | 118.7 | 8.2 | 113 | K116 S119 D120 W123 E192 V193 T194 D202 | K116-R204 HydrophobicContact CD-CB 4.35Å; K116-R204 VanDerWaalsContact CE-C 3.47Å; K116-R204 WeakPolarHBondContact CE-O 3.47Å; S119-R204 PolarHBondContact OG-NH1 2.91Å; D120-R204 IonicContact OD1-CZ 2.73Å; D120-R204 IonicContact OD1-NH1 2.67Å; D120-R204 PolarHBondContact OD1-NH1 2.84Å; D120-R204 IonicContact OD1-NH2 2.63Å; D120-R204 PolarHBondContact OD1-NH2 3.1Å; W123-R204 VanDerWaalsContact CE3-CD 3.45Å; E192-R204 CarbonylContact O-C 3.55Å; E192-R204 WeakPolarHBondContact O-CA 3.18Å; V193-R204 VanDerWaalsContact O-CD 3.28Å; V193-R204 WeakPolarHBondContact O-CD 3.49Å; T194-R204 VanDerWaalsContact O-CG 3.24Å; T194-R204 WeakPolarHBondContact O-CG 3.48Å; D202-R204 PolarHBondContact O-N 2.99Å; D202-R204 VanDerWaalsContact OD1-CB 3.25Å; D202-R204 WeakPolarHBondContact OD1-CB 3.48Å; D202-R204 WeakPolarHBondContact OD1-CD 3.48Å; D202-R204 WeakPolarHBondContact OD1-CG 3.24Å; D202-R204 IonicContact OD1-CZ 3.32Å; D202-R204 PolarHBondContact OD1-N 2.94Å; D202-R204 IonicContact OD1-NE 3.85Å; D202-R204 PolarHBondContact OD1-NE 3.22Å; D202-R204 IonicContact OD1-NH2 2.75Å; D202-R204 IonicContact OD2-CZ 2.62Å; D202-R204 IonicContact OD2-NE 2.8Å; D202-R204 PolarHBondContact OD2-NE 2.94Å; D202-R204 IonicContact OD2-NH2 2.72Å; D202-R204 PolarHBondContact OD2-NH2 3.02Å |
| 205 | G | 93.9 | Very high | 88 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -11.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R112 E192 R203 | R112-G205 PolarHBondContact NH1-O 3.39Å; E192-G205 PolarHBondContact O-N 2.99Å; R203-G205 PolarHBondContact O-N 2.91Å |
| 206 | Q | 96.1 | Very high | 88.1 | Confident | 114 Ų | 114 | 68.6 Ų | 68.6 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -76.3 | 169.7 | 173.1 | -57.7 | -177.7 | 40.6 | 0 | 0 | 111.4 | R112 A191 E192 R203 | R112-Q206 PolarHBondContact NH1-O 2.86Å; A191-Q206 WeakPolarHBondContact CA-O 3.13Å; E192-Q206 PolarHBondContact N-O 3.4Å; R203-Q206 WeakPolarHBondContact O-CB 3.11Å; R203-Q206 WeakPolarHBondContact O-CG 3.46Å; R203-Q206 PolarHBondContact O-N 2.89Å; R203-Q206 VanDerWaalsContact O-N 3.07Å |
| 207 | T | 96.9 | Very high | 88.5 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | trans | -96.6 | 148.1 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | T190 T209 | T190-T207 PolarHBondContact OG1-OG1 3.08Å; T207-T209 WeakPolarHBondContact CG2-OG1 3.17Å; T207-T209 PolarHBondContact O-N 3.44Å; T207-T209 PolarHBondContact OG1-OG1 3.08Å | ||
| 208 | V | 96.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 1.4 | 178.2 | -54 | 0 | 0 | 0 | 0 | 114 | W180 T190 E192 A210 G211 V212 Y219 Y224 | W180-V208 HydrophobicContact CD2-CG1 3.85Å; W180-V208 HydrophobicContact CG-CG1 3.89Å; W180-V208 HydrophobicContact CZ2-CG1 4.27Å; W180-V208 HydrophobicContact CZ2-CG2 4.07Å; T190-V208 HydrophobicContact CG2-CG2 4.09Å; T190-V208 PolarHBondContact OG1-N 2.85Å; T190-V208 VanDerWaalsContact OG1-N 3.09Å; E192-V208 HydrophobicContact CG-CG1 4.44Å; V208-A210 PolarHBondContact O-N 3.25Å; V208-A210 VanDerWaalsContact O-N 3.09Å; V208-G211 PolarHBondContact O-N 3.39Å; V208-V212 HydrophobicContact CG2-CG2 4.13Å; V208-V212 WeakPolarHBondContact O-CG2 3.42Å; V208-V212 PolarHBondContact O-N 2.85Å; V208-Y219 HydrophobicContact CB-CD1 3.59Å; V208-Y219 HydrophobicContact CB-CE1 3.72Å; V208-Y219 HydrophobicContact CB-CG 4.43Å; V208-Y219 HydrophobicContact CG1-CD1 3.84Å; V208-Y219 HydrophobicContact CG1-CE1 3.59Å; V208-Y219 HydrophobicContact CG2-CD1 4.37Å; V208-Y224 HydrophobicContact CG2-CE1 4.38Å |
| 209 | T | 95.9 | Very high | 90.5 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.3 | -29.8 | -175.1 | -47.9 | 0 | 0 | 0 | 0 | 113.9 | T207 S213 | T207-T209 WeakPolarHBondContact CG2-OG1 3.17Å; T207-T209 PolarHBondContact O-N 3.44Å; T207-T209 PolarHBondContact OG1-OG1 3.08Å; T209-S213 WeakPolarHBondContact O-CB 3.49Å; T209-S213 PolarHBondContact O-N 3.09Å; T209-S213 PolarHBondContact O-OG 3.49Å |
| 210 | A | 93.6 | Very high | 92.2 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 50% | 0.496 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -63.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V208 V212 S213 E214 | V208-A210 PolarHBondContact O-N 3.25Å; V208-A210 VanDerWaalsContact O-N 3.09Å; A210-V212 VanDerWaalsContact C-N 3.26Å; A210-V212 PolarHBondContact O-N 3.22Å; A210-S213 CarbonylContact O-C 3.57Å; A210-S213 WeakPolarHBondContact O-CA 3.39Å; A210-S213 WeakPolarHBondContact O-CB 3.49Å; A210-S213 PolarHBondContact O-N 2.94Å; A210-E214 WeakPolarHBondContact O-CG 3.44Å; A210-E214 PolarHBondContact O-N 3.18Å |
| 211 | G | 93.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -32.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V208 E214 K215 S216 | V208-G211 PolarHBondContact O-N 3.39Å; G211-E214 PolarHBondContact O-N 3Å; G211-K215 PolarHBondContact O-N 2.91Å; G211-K215 VanDerWaalsContact O-N 3.11Å; G211-S216 PolarHBondContact O-N 2.75Å |
| 212 | V | 96.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 22% | 0.224 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 169.5 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | V208 A210 K215 Y224 | V208-V212 HydrophobicContact CG2-CG2 4.13Å; V208-V212 WeakPolarHBondContact O-CG2 3.42Å; V208-V212 PolarHBondContact O-N 2.85Å; A210-V212 VanDerWaalsContact C-N 3.26Å; A210-V212 PolarHBondContact O-N 3.22Å; V212-K215 PolarHBondContact O-N 3.2Å; V212-Y224 HydrophobicContact CG2-CE1 4.46Å |
| 213 | S | 96.2 | Very high | 95.9 | Very high | 89 Ų | 89 | 40.7 Ų | 40.7 | 62% | 0.622 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.8 | -31.7 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | T209 A210 K215 | T209-S213 WeakPolarHBondContact O-CB 3.49Å; T209-S213 PolarHBondContact O-N 3.09Å; T209-S213 PolarHBondContact O-OG 3.49Å; A210-S213 CarbonylContact O-C 3.57Å; A210-S213 WeakPolarHBondContact O-CA 3.39Å; A210-S213 WeakPolarHBondContact O-CB 3.49Å; A210-S213 PolarHBondContact O-N 2.94Å; S213-K215 PolarHBondContact O-N 2.79Å |
| 214 | E | 95.3 | Very high | 96.3 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -74.6 | -13.4 | 176.6 | -74.5 | 171 | 155.8 | 0 | 0 | 113.1 | A210 G211 N349 F351 | A210-E214 WeakPolarHBondContact O-CG 3.44Å; A210-E214 PolarHBondContact O-N 3.18Å; G211-E214 PolarHBondContact O-N 3Å; E214-N349 PolarHBondContact O-ND2 2.83Å; E214-F351 HydrophobicContact CB-CE1 4.37Å; E214-F351 HydrophobicContact CB-CE2 3.95Å; E214-F351 HydrophobicContact CB-CZ 3.62Å; E214-F351 HydrophobicContact CG-CZ 4.12Å; E214-F351 WeakPolarHBondContact O-CE2 3.38Å |
| 215 | K | 97.1 | Very high | 96.5 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 43% | 0.43 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 40.7 | -175.8 | -47.5 | -179.2 | 178 | -175.8 | 0 | 114 | G211 V212 S213 K221 Y348 N349 | G211-K215 PolarHBondContact O-N 2.91Å; G211-K215 VanDerWaalsContact O-N 3.11Å; V212-K215 PolarHBondContact O-N 3.2Å; S213-K215 PolarHBondContact O-N 2.79Å; K215-K221 HydrophobicContact CB-CD 4.33Å; K215-K221 HydrophobicContact CB-CG 3.89Å; K215-K221 HydrophobicContact CD-CD 4.42Å; K215-K221 HydrophobicContact CG-CD 4.39Å; K215-K221 HydrophobicContact CG-CG 4.1Å; K215-Y348 WeakPolarHBondContact O-CD1 3.33Å; K215-N349 PolarHBondContact O-N 2.73Å |
| 216 | S | 95.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | trans | -72 | 154.1 | 166.6 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | G211 L218 Y219 Y348 | G211-S216 PolarHBondContact O-N 2.75Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 3.26Å; S216-Y219 WeakPolarHBondContact OG-CD2 3.45Å; S216-Y348 WeakPolarHBondContact O-CD1 3.42Å; S216-Y348 WeakPolarHBondContact O-CE1 3.45Å | ||
| 217 | W | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -65.3 | -35.5 | 175.4 | 168.1 | 75.4 | 0 | 0 | 0 | 110.9 | E176 D177 Y219 L220 Y316 M345 Y348 D354 I357 | E176-W217 HydrophobicContact CB-CH2 4.15Å; E176-W217 HydrophobicContact CB-CZ2 3.38Å; E176-W217 HydrophobicContact CG-CZ2 4.48Å; E176-W217 PolarHBondContact OE2-NE1 3.35Å; D177-W217 HydrophobicContact CB-CH2 3.53Å; D177-W217 HydrophobicContact CB-CZ3 3.5Å; W217-Y219 PolarHBondContact O-N 2.97Å; W217-L220 HydrophobicContact CG-CD2 4.48Å; W217-L220 VanDerWaalsContact O-CD2 3.31Å; W217-L220 WeakPolarHBondContact O-CD2 3.49Å; W217-L220 WeakPolarHBondContact O-CG 3.26Å; W217-L220 PolarHBondContact O-N 2.86Å; W217-Y316 HydrophobicContact CH2-CE2 4Å; W217-Y316 HydrophobicContact CZ2-CD2 4.31Å; W217-Y316 AromaticContact CZ2-CE2 3.7Å; W217-Y316 HydrophobicContact CZ2-CE2 3.7Å; W217-M345 HydrophobicContact CB-CE 4.23Å; W217-M345 HydrophobicContact CG-CE 4.01Å; W217-Y348 HydrophobicContact CB-CD1 4.19Å; W217-Y348 HydrophobicContact CB-CE1 4.41Å; W217-D354 HydrophobicContact CB-CB 4.32Å; W217-D354 WeakPolarHBondContact CB-OD1 3.44Å; W217-D354 HydrophobicContact CE3-CB 4.21Å; W217-D354 PolarHBondContact N-OD1 3.34Å; W217-I357 HydrophobicContact CB-CG2 4.33Å; W217-I357 HydrophobicContact CD2-CB 3.79Å; W217-I357 HydrophobicContact CD2-CG1 4.24Å; W217-I357 HydrophobicContact CD2-CG2 3.56Å; W217-I357 HydrophobicContact CE3-CB 3.78Å; W217-I357 HydrophobicContact CE3-CG2 3.52Å; W217-I357 HydrophobicContact CG-CG2 3.95Å; W217-I357 HydrophobicContact CH2-CB 3.7Å; W217-I357 HydrophobicContact CH2-CD1 4.4Å; W217-I357 HydrophobicContact CH2-CG1 4.38Å; W217-I357 HydrophobicContact CH2-CG2 4.39Å; W217-I357 HydrophobicContact CZ2-CB 3.73Å; W217-I357 HydrophobicContact CZ2-CD1 3.86Å; W217-I357 HydrophobicContact CZ2-CG1 3.93Å; W217-I357 HydrophobicContact CZ2-CG2 4.45Å; W217-I357 HydrophobicContact CZ3-CB 3.74Å; W217-I357 HydrophobicContact CZ3-CG2 3.97Å |
| 218 | L | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -50.9 | -27.8 | 179.6 | -164.9 | 65.4 | 0 | 0 | 0 | 115.5 | S175 D177 H178 H196 S216 E353 D354 | S175-L218 WeakPolarHBondContact CB-O 3.45Å; S175-L218 PolarHBondContact OG-O 3.03Å; D177-L218 HydrophobicContact CB-CD1 4.29Å; H178-L218 HydrophobicContact CB-CD1 3.64Å; H178-L218 HydrophobicContact CB-CG 4.07Å; H196-L218 WeakPolarHBondContact NE2-CD1 3.39Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 3.26Å; L218-E353 HydrophobicContact CD2-CB 3.83Å; L218-D354 WeakPolarHBondContact CB-OD1 3.33Å; L218-D354 PolarHBondContact N-OD1 2.84Å |
| 219 | Y | 97.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -118.5 | 11.7 | 176.5 | -54.5 | -82 | 0 | 0 | 0 | 113.8 | H178 W180 E192 V208 S216 W217 K221 G222 | H178-Y219 AromaticContact CD2-CE1 3.78Å; W180-Y219 HydrophobicContact CE3-CD1 4.43Å; W180-Y219 HydrophobicContact CE3-CE1 4.45Å; W180-Y219 AromaticContact CH2-CD1 3.76Å; W180-Y219 HydrophobicContact CH2-CD1 3.76Å; W180-Y219 HydrophobicContact CZ2-CD1 4.21Å; W180-Y219 AromaticContact CZ3-CD1 3.89Å; W180-Y219 HydrophobicContact CZ3-CD1 3.89Å; W180-Y219 HydrophobicContact CZ3-CE1 4.28Å; E192-Y219 PolarHBondContact OE1-OH 3.4Å; V208-Y219 HydrophobicContact CB-CD1 3.59Å; V208-Y219 HydrophobicContact CB-CE1 3.72Å; V208-Y219 HydrophobicContact CB-CG 4.43Å; V208-Y219 HydrophobicContact CG1-CD1 3.84Å; V208-Y219 HydrophobicContact CG1-CE1 3.59Å; V208-Y219 HydrophobicContact CG2-CD1 4.37Å; S216-Y219 WeakPolarHBondContact OG-CD2 3.45Å; W217-Y219 PolarHBondContact O-N 2.97Å; Y219-K221 VanDerWaalsContact C-N 3.26Å; Y219-K221 PolarHBondContact O-N 2.98Å; Y219-K221 VanDerWaalsContact O-N 3.11Å; Y219-G222 PolarHBondContact O-N 2.67Å |
| 220 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | 48.1 | 38.9 | 171.4 | -59.9 | 170.1 | 0 | 0 | 0 | 114.9 | E176 W217 G222 S223 Y348 | E176-L220 HydrophobicContact CG-CD1 4.13Å; E176-L220 HydrophobicContact CG-CD2 4.24Å; W217-L220 HydrophobicContact CG-CD2 4.48Å; W217-L220 VanDerWaalsContact O-CD2 3.31Å; W217-L220 WeakPolarHBondContact O-CD2 3.49Å; W217-L220 WeakPolarHBondContact O-CG 3.26Å; W217-L220 PolarHBondContact O-N 2.86Å; L220-G222 PolarHBondContact O-N 3.37Å; L220-S223 WeakPolarHBondContact O-CB 3.44Å; L220-S223 PolarHBondContact O-N 2.78Å; L220-Y348 VanDerWaalsContact CA-OH 3.24Å; L220-Y348 WeakPolarHBondContact CA-OH 3.31Å |
| 221 | K | 97.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 29.8 Ų | 29.8 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | 52.7 | 15.8 | -174.8 | -74.2 | 174 | -81.7 | 160.3 | 0 | 115.2 | K215 Y219 E313 Y348 | K215-K221 HydrophobicContact CB-CD 4.33Å; K215-K221 HydrophobicContact CB-CG 3.89Å; K215-K221 HydrophobicContact CD-CD 4.42Å; K215-K221 HydrophobicContact CG-CD 4.39Å; K215-K221 HydrophobicContact CG-CG 4.1Å; Y219-K221 VanDerWaalsContact C-N 3.26Å; Y219-K221 PolarHBondContact O-N 2.98Å; Y219-K221 VanDerWaalsContact O-N 3.11Å; K221-E313 WeakPolarHBondContact CD-OE1 3.34Å; K221-E313 WeakPolarHBondContact CE-OE1 3.21Å; K221-E313 IonicContact NZ-OE1 3.91Å; K221-E313 PolarHBondContact NZ-OE1 3.24Å; K221-Y348 HydrophobicContact CB-CE1 4.42Å; K221-Y348 HydrophobicContact CD-CD1 4.34Å; K221-Y348 HydrophobicContact CD-CE1 4.13Å; K221-Y348 VanDerWaalsContact CE-CE1 3.42Å; K221-Y348 HydrophobicContact CG-CD1 4.14Å; K221-Y348 HydrophobicContact CG-CE1 3.76Å |
| 222 | G | 96.8 | Very high | 97.6 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | 99.2 | -10.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y219 L220 Y224 | Y219-G222 PolarHBondContact O-N 2.67Å; L220-G222 PolarHBondContact O-N 3.37Å; G222-Y224 WeakPolarHBondContact O-CD1 3.36Å; G222-Y224 WeakPolarHBondContact O-CE1 3.26Å; G222-Y224 PolarHBondContact O-N 2.75Å; G222-Y224 VanDerWaalsContact O-N 3.15Å |
| 223 | S | 98.1 | Very high | 97.7 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | trans | -83.8 | 34.2 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | L220 Y310 N311 E313 H314 | L220-S223 WeakPolarHBondContact O-CB 3.44Å; L220-S223 PolarHBondContact O-N 2.78Å; S223-Y310 WeakPolarHBondContact O-CD1 3.09Å; S223-N311 PolarHBondContact OG-ND2 2.82Å; S223-E313 VanDerWaalsContact CB-OE2 3.22Å; S223-E313 WeakPolarHBondContact CB-OE2 3.44Å; S223-E313 PolarHBondContact OG-OE2 2.82Å; S223-H314 PolarHBondContact O-NE2 3.06Å | ||
| 224 | Y | 98.3 | Very high | 97.8 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | trans | -75.2 | 158.6 | 173.5 | 58.6 | -95.6 | 0 | 0 | 0 | 111.7 | A173 L174 W180 I182 T190 V208 V212 G222 K226 | A173-Y224 HydrophobicContact CB-CD2 4.16Å; A173-Y224 HydrophobicContact CB-CE2 4.16Å; L174-Y224 WeakPolarHBondContact O-CB 3.37Å; W180-Y224 HydrophobicContact CH2-CD1 4.09Å; W180-Y224 HydrophobicContact CH2-CD2 4.22Å; W180-Y224 AromaticContact CH2-CG 3.81Å; W180-Y224 HydrophobicContact CH2-CG 3.81Å; W180-Y224 AromaticContact CZ2-CD1 3.58Å; W180-Y224 HydrophobicContact CZ2-CD1 3.58Å; W180-Y224 AromaticContact CZ2-CD2 3.51Å; W180-Y224 HydrophobicContact CZ2-CD2 3.51Å; W180-Y224 AromaticContact CZ2-CE1 3.88Å; W180-Y224 HydrophobicContact CZ2-CE1 3.88Å; W180-Y224 AromaticContact CZ2-CE2 3.8Å; W180-Y224 HydrophobicContact CZ2-CE2 3.8Å; W180-Y224 AromaticContact CZ2-CG 3.4Å; W180-Y224 HydrophobicContact CZ2-CG 3.4Å; W180-Y224 VanDerWaalsContact CZ2-CG 3.4Å; W180-Y224 AromaticContact CZ2-CZ 3.99Å; I182-Y224 HydrophobicContact CG2-CE2 4.24Å; T190-Y224 WeakPolarHBondContact CG2-OH 3.19Å; V208-Y224 HydrophobicContact CG2-CE1 4.38Å; V212-Y224 HydrophobicContact CG2-CE1 4.46Å; G222-Y224 WeakPolarHBondContact O-CD1 3.36Å; G222-Y224 WeakPolarHBondContact O-CE1 3.26Å; G222-Y224 PolarHBondContact O-N 2.75Å; G222-Y224 VanDerWaalsContact O-N 3.15Å; Y224-K226 HydrophobicContact CD2-CG 4.19Å; Y224-K226 HydrophobicContact CE2-CD 4.36Å; Y224-K226 HydrophobicContact CE2-CG 3.8Å; Y224-K226 PolarHBondContact O-N 3.05Å; Y224-K226 WeakPolarHBondContact OH-CE 3.36Å | ||
| 225 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.8 | 178.7 | -65.2 | 169.8 | 50.4 | 0 | 0 | 110.9 | A173 L174 M231 Y273 M275 Y310 | A173-M225 WeakPolarHBondContact CA-O 3.37Å; L174-M225 HydrophobicContact CB-CB 4.26Å; L174-M225 HydrophobicContact CD1-CE 4.23Å; L174-M225 PolarHBondContact N-O 2.9Å; L174-M225 PolarHBondContact O-N 2.73Å; M225-M231 HydrophobicContact CB-CE 4.45Å; M225-M231 HydrophobicContact CE-CE 3.6Å; M225-Y273 HydrophobicContact CE-CD1 3.4Å; M225-Y273 VanDerWaalsContact CE-CD1 3.4Å; M225-Y273 HydrophobicContact CE-CD2 3.55Å; M225-Y273 HydrophobicContact CE-CE1 3.63Å; M225-Y273 HydrophobicContact CE-CE2 3.75Å; M225-Y273 HydrophobicContact CE-CG 3.37Å; M225-Y273 HydrophobicContact SD-CD1 3.81Å; M225-Y273 HydrophobicContact SD-CE1 3.97Å; M225-Y273 HydrophobicContact SD-CG 4.33Å; M225-M275 HydrophobicContact SD-CE 4.06Å; M225-Y310 HydrophobicContact CG-CE1 4.18Å; M225-Y310 HydrophobicContact CG-CE2 4.23Å |
| 226 | K | 97.9 | Very high | 98.1 | Very high | 82 Ų | 82 | 15.6 Ų | 15.6 | 36% | 0.357 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 101.1 | 167.6 | -65.3 | -163.9 | 175.7 | -164.8 | 0 | 108.5 | I182 G187 Y224 | I182-K226 HydrophobicContact CD1-CB 3.54Å; I182-K226 HydrophobicContact CD1-CD 3.89Å; I182-K226 HydrophobicContact CD1-CG 3.75Å; G187-K226 PolarHBondContact O-NZ 2.87Å; Y224-K226 HydrophobicContact CD2-CG 4.19Å; Y224-K226 HydrophobicContact CE2-CD 4.36Å; Y224-K226 HydrophobicContact CE2-CG 3.8Å; Y224-K226 PolarHBondContact O-N 3.05Å; Y224-K226 WeakPolarHBondContact OH-CE 3.36Å |
| 227 | C | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 5% | 0.047 | 8% | 0.081 | C | C | . | . | trans | -75 | 151.2 | -172.2 | -57.3 | 0 | 0 | 0 | 0 | 112 | H171 L172 M231 E232 | H171-C227 WeakPolarHBondContact CB-O 3.42Å; H171-C227 PolarHBondContact ND1-O 2.64Å; L172-C227 HydrophobicContact CB-CB 4.17Å; L172-C227 WeakPolarHBondContact O-CB 3.47Å; L172-C227 PolarHBondContact O-N 2.9Å; L172-C227 PolarHBondContact O-SG 3.3Å; L172-C227 VanDerWaalsContact O-SG 3.37Å; C227-M231 HydrophobicContact CB-CB 3.78Å; C227-E232 HydrophobicContact CB-CG 3.86Å | ||
| 228 | D | 97.5 | Very high | 98.2 | Very high | 49 Ų | 49 | 16.8 Ų | 16.8 | 26% | 0.262 | 9% | 0.091 | S | C | . | . | trans | -102.7 | -176.8 | 154.6 | 59.1 | 48.4 | 0 | 0 | 0 | 110.1 | N230 M231 E232 R272 | D228-N230 PolarHBondContact O-N 3.47Å; D228-N230 PolarHBondContact OD1-N 3.05Å; D228-M231 PolarHBondContact O-N 3.43Å; D228-M231 PolarHBondContact OD1-N 3.07Å; D228-M231 VanDerWaalsContact OD1-N 3.09Å; D228-E232 WeakPolarHBondContact O-CG 3.13Å; D228-E232 PolarHBondContact O-N 3.36Å; D228-R272 IonicContact OD2-CZ 3.51Å; D228-R272 IonicContact OD2-NH1 3.37Å; D228-R272 IonicContact OD2-NH2 3.23Å; D228-R272 PolarHBondContact OD2-NH2 3.43Å | ||
| 229 | R | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 18 Ų | 18 | 5% | 0.045 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -26.4 | -177.5 | -62.6 | -65.1 | 169.3 | -126.7 | -12.6 | 113.7 | E31 P32 K168 V170 H171 E232 V233 | E31-R229 WeakPolarHBondContact OE2-CD 3.37Å; E31-R229 IonicContact OE2-NE 2.96Å; E31-R229 PolarHBondContact OE2-NE 3.08Å; P32-R229 HydrophobicContact CG-CB 3.77Å; K168-R229 PolarHBondContact O-NH2 2.94Å; V170-R229 PolarHBondContact O-NH1 2.95Å; V170-R229 PolarHBondContact O-NH2 3.26Å; H171-R229 PolarHBondContact CE1-NH1 3.31Å; H171-R229 PolarHBondContact CE1-NH2 2.99Å; H171-R229 PolarHBondContact ND1-NH1 3.42Å; R229-E232 WeakPolarHBondContact CD-OE2 3.42Å; R229-E232 IonicContact CZ-OE2 3.77Å; R229-E232 IonicContact NE-OE2 3.17Å; R229-E232 IonicContact NH1-OE1 2.79Å; R229-E232 PolarHBondContact NH1-OE1 2.68Å; R229-E232 IonicContact NH1-OE2 3.45Å; R229-E232 PolarHBondContact NH1-OE2 2.96Å; R229-V233 WeakPolarHBondContact O-CG2 3.47Å; R229-V233 PolarHBondContact O-N 3.22Å |
| 230 | N | 98.4 | Very high | 98.3 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 15% | 0.15 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -83.1 | -37.5 | 179.5 | -65.4 | 3.9 | 0 | 0 | 0 | 110.3 | L27 D228 E232 V233 A234 R267 D269 | L27-N230 HydrophobicContact CD2-CB 4.14Å; D228-N230 PolarHBondContact O-N 3.47Å; D228-N230 PolarHBondContact OD1-N 3.05Å; N230-E232 VanDerWaalsContact C-N 3.27Å; N230-E232 PolarHBondContact O-N 3.28Å; N230-V233 WeakPolarHBondContact O-CB 3.37Å; N230-V233 PolarHBondContact O-N 3.11Å; N230-V233 VanDerWaalsContact O-N 3.14Å; N230-A234 PolarHBondContact O-N 3.28Å; N230-R267 PolarHBondContact ND2-NH2 3.23Å; N230-D269 HydrophobicContact CB-CB 4.13Å; N230-D269 WeakPolarHBondContact CB-OD1 3.46Å; N230-D269 PolarHBondContact ND2-OD1 3.4Å |
| 231 | M | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.7 | -31.9 | 169.7 | -63.4 | 177.1 | 66 | 0 | 0 | 112.3 | M225 C227 D228 A234 F235 R272 | M225-M231 HydrophobicContact CB-CE 4.45Å; M225-M231 HydrophobicContact CE-CE 3.6Å; C227-M231 HydrophobicContact CB-CB 3.78Å; D228-M231 PolarHBondContact O-N 3.43Å; D228-M231 PolarHBondContact OD1-N 3.07Å; D228-M231 VanDerWaalsContact OD1-N 3.09Å; M231-A234 WeakPolarHBondContact O-CB 3.28Å; M231-A234 PolarHBondContact O-N 3.43Å; M231-F235 PolarHBondContact O-N 3.23Å; M231-R272 HydrophobicContact CE-CB 4.01Å; M231-R272 VanDerWaalsContact CE-O 3.24Å; M231-R272 WeakPolarHBondContact CE-O 3.49Å; M231-R272 HydrophobicContact SD-CB 4.14Å |
| 232 | E | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.7 | -29.1 | 172.1 | -73.9 | 160.3 | -168.8 | 0 | 0 | 113.3 | L34 H171 L172 C227 D228 R229 N230 M236 | L34-E232 HydrophobicContact CD1-CB 4.4Å; L34-E232 WeakPolarHBondContact CD1-OE2 3.29Å; L34-E232 HydrophobicContact CD2-CB 3.92Å; H171-E232 VanDerWaalsContact CA-OE1 3.23Å; H171-E232 WeakPolarHBondContact CA-OE1 3.35Å; H171-E232 WeakPolarHBondContact CB-OE1 3.45Å; H171-E232 IonicContact CE1-OE1 3.17Å; H171-E232 IonicContact CG-OE1 2.63Å; H171-E232 IonicContact ND1-OE1 2.73Å; H171-E232 PolarHBondContact ND1-OE1 2.98Å; H171-E232 IonicContact ND1-OE2 2.75Å; L172-E232 HydrophobicContact CB-CG 3.7Å; L172-E232 HydrophobicContact CD2-CG 4.45Å; L172-E232 PolarHBondContact N-OE1 2.78Å; C227-E232 HydrophobicContact CB-CG 3.86Å; D228-E232 WeakPolarHBondContact O-CG 3.13Å; D228-E232 PolarHBondContact O-N 3.36Å; R229-E232 WeakPolarHBondContact CD-OE2 3.42Å; R229-E232 IonicContact CZ-OE2 3.77Å; R229-E232 IonicContact NE-OE2 3.17Å; R229-E232 IonicContact NH1-OE1 2.79Å; R229-E232 PolarHBondContact NH1-OE1 2.68Å; R229-E232 IonicContact NH1-OE2 3.45Å; R229-E232 PolarHBondContact NH1-OE2 2.96Å; N230-E232 VanDerWaalsContact C-N 3.27Å; N230-E232 PolarHBondContact O-N 3.28Å; E232-M236 PolarHBondContact O-N 3.46Å |
| 233 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -72.1 | -41.2 | 167.8 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | F23 L27 P32 L34 L37 R229 N230 F235 M236 V237 L264 | F23-V233 HydrophobicContact CD1-CG1 3.73Å; F23-V233 HydrophobicContact CE1-CG1 3.75Å; L27-V233 HydrophobicContact CD1-CG1 4.24Å; L27-V233 HydrophobicContact CD2-CB 3.9Å; L27-V233 HydrophobicContact CD2-CG1 3.87Å; L27-V233 HydrophobicContact CD2-CG2 4.08Å; L27-V233 HydrophobicContact CG-CG1 4.18Å; P32-V233 HydrophobicContact CB-CG2 3.87Å; P32-V233 HydrophobicContact CG-CG2 3.8Å; L34-V233 HydrophobicContact CD2-CG2 3.96Å; L37-V233 HydrophobicContact CD1-CG1 4.26Å; L37-V233 HydrophobicContact CD1-CG2 3.76Å; R229-V233 WeakPolarHBondContact O-CG2 3.47Å; R229-V233 PolarHBondContact O-N 3.22Å; N230-V233 WeakPolarHBondContact O-CB 3.37Å; N230-V233 PolarHBondContact O-N 3.11Å; N230-V233 VanDerWaalsContact O-N 3.14Å; V233-F235 VanDerWaalsContact C-N 3.32Å; V233-F235 PolarHBondContact O-N 3.24Å; V233-M236 HydrophobicContact CB-CE 4.49Å; V233-M236 HydrophobicContact CG2-CE 4.12Å; V233-M236 VanDerWaalsContact O-CG 3.32Å; V233-M236 WeakPolarHBondContact O-CG 3.47Å; V233-M236 PolarHBondContact O-N 2.92Å; V233-V237 WeakPolarHBondContact O-CG2 3.16Å; V233-V237 PolarHBondContact O-N 2.88Å; V233-V237 VanDerWaalsContact O-N 3.14Å; V233-L264 HydrophobicContact CG1-CD2 4.39Å |
| 234 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N230 M231 M236 V237 C238 L264 L270 Y273 | N230-A234 PolarHBondContact O-N 3.28Å; M231-A234 WeakPolarHBondContact O-CB 3.28Å; M231-A234 PolarHBondContact O-N 3.43Å; A234-M236 PolarHBondContact O-N 3.04Å; A234-V237 PolarHBondContact O-N 3.38Å; A234-V237 VanDerWaalsContact O-N 3.13Å; A234-C238 PolarHBondContact O-N 2.87Å; A234-C238 PolarHBondContact O-SG 3.26Å; A234-L264 HydrophobicContact CB-CD1 3.84Å; A234-L264 HydrophobicContact CB-CD2 4.42Å; A234-L270 HydrophobicContact CB-CD2 3.53Å; A234-Y273 HydrophobicContact CB-CD2 3.65Å; A234-Y273 HydrophobicContact CB-CE2 3.86Å |
| 235 | F | 98.8 | Very high | 98 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 8% | 0.083 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | 174.9 | 168.3 | -93 | 0 | 0 | 0 | 111.8 | F156 L172 L174 M231 V233 V237 C238 A239 Y273 | F156-F235 HydrophobicContact CB-CD1 4.25Å; F156-F235 HydrophobicContact CB-CE1 3.63Å; F156-F235 HydrophobicContact CB-CZ 4.46Å; F156-F235 AromaticContact CD2-CD1 3.7Å; F156-F235 HydrophobicContact CD2-CD1 3.7Å; F156-F235 AromaticContact CD2-CE1 3.92Å; F156-F235 HydrophobicContact CD2-CE1 3.92Å; F156-F235 HydrophobicContact CE2-CD1 4.46Å; F156-F235 HydrophobicContact CG-CD1 4.18Å; F156-F235 AromaticContact CG-CE1 3.9Å; F156-F235 HydrophobicContact CG-CE1 3.9Å; L172-F235 HydrophobicContact CD2-CB 4.1Å; L172-F235 HydrophobicContact CD2-CD1 3.74Å; L172-F235 HydrophobicContact CD2-CD2 4.05Å; L172-F235 HydrophobicContact CD2-CE1 4.24Å; L172-F235 HydrophobicContact CD2-CE2 4.49Å; L172-F235 HydrophobicContact CD2-CG 3.65Å; L174-F235 HydrophobicContact CD1-CB 4.23Å; L174-F235 HydrophobicContact CD1-CD2 3.58Å; L174-F235 HydrophobicContact CD1-CE2 4.4Å; L174-F235 HydrophobicContact CD1-CG 4.21Å; L174-F235 HydrophobicContact CD2-CD2 3.87Å; L174-F235 HydrophobicContact CD2-CE2 3.87Å; L174-F235 HydrophobicContact CG-CD2 4.38Å; M231-F235 PolarHBondContact O-N 3.23Å; V233-F235 VanDerWaalsContact C-N 3.32Å; V233-F235 PolarHBondContact O-N 3.24Å; F235-V237 PolarHBondContact O-N 2.75Å; F235-C238 PolarHBondContact O-N 3.38Å; F235-A239 VanDerWaalsContact O-CB 3.31Å; F235-A239 WeakPolarHBondContact O-CB 3.46Å; F235-A239 PolarHBondContact O-N 3.27Å; F235-Y273 HydrophobicContact CB-CE2 4.22Å |
| 236 | M | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -19.2 | -178.8 | 81 | 174.9 | 87.5 | 0 | 0 | 113.5 | L34 L37 S38 L41 F156 E232 V233 A234 | L34-M236 HydrophobicContact CB-CE 4.2Å; L34-M236 HydrophobicContact CD2-CE 3.58Å; L37-M236 HydrophobicContact CB-CE 4Å; L37-M236 HydrophobicContact CB-SD 3.53Å; L37-M236 VanDerWaalsContact CB-SD 3.53Å; L37-M236 HydrophobicContact CD1-CE 4.48Å; S38-M236 PolarHBondContact N-SD 3.26Å; L41-M236 HydrophobicContact CD1-CB 4.43Å; L41-M236 HydrophobicContact CD1-CG 3.84Å; L41-M236 WeakPolarHBondContact CD1-O 3.46Å; L41-M236 HydrophobicContact CD1-SD 4.2Å; F156-M236 HydrophobicContact CE2-CB 4.17Å; F156-M236 HydrophobicContact CE2-CE 3.69Å; F156-M236 HydrophobicContact CZ-CB 4.23Å; F156-M236 HydrophobicContact CZ-CE 3.51Å; F156-M236 HydrophobicContact CZ-SD 4.15Å; E232-M236 PolarHBondContact O-N 3.46Å; V233-M236 HydrophobicContact CB-CE 4.49Å; V233-M236 HydrophobicContact CG2-CE 4.12Å; V233-M236 VanDerWaalsContact O-CG 3.32Å; V233-M236 WeakPolarHBondContact O-CG 3.47Å; V233-M236 PolarHBondContact O-N 2.92Å; A234-M236 PolarHBondContact O-N 3.04Å |
| 237 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -79.9 | -44.8 | 172.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | F23 V233 A234 F235 A239 I240 Q257 L260 L261 L264 | F23-V237 HydrophobicContact CD1-CG2 4.32Å; F23-V237 HydrophobicContact CE1-CG2 3.79Å; V233-V237 WeakPolarHBondContact O-CG2 3.16Å; V233-V237 PolarHBondContact O-N 2.88Å; V233-V237 VanDerWaalsContact O-N 3.14Å; A234-V237 PolarHBondContact O-N 3.38Å; A234-V237 VanDerWaalsContact O-N 3.13Å; F235-V237 PolarHBondContact O-N 2.75Å; V237-A239 PolarHBondContact O-N 3.04Å; V237-I240 HydrophobicContact CG1-CD1 4.22Å; V237-I240 WeakPolarHBondContact O-CB 3.49Å; V237-I240 VanDerWaalsContact O-CG1 3.31Å; V237-I240 WeakPolarHBondContact O-CG1 3.45Å; V237-I240 PolarHBondContact O-N 2.95Å; V237-I240 VanDerWaalsContact O-N 3.12Å; V237-Q257 HydrophobicContact CG1-CG 4.31Å; V237-Q257 PolarHBondContact O-NE2 3.31Å; V237-L260 HydrophobicContact CB-CB 4.46Å; V237-L260 HydrophobicContact CG1-CB 3.58Å; V237-L260 HydrophobicContact CG1-CD1 4.48Å; V237-L260 HydrophobicContact CG2-CB 3.95Å; V237-L260 HydrophobicContact CG2-CD1 4.04Å; V237-L261 HydrophobicContact CB-CD2 4.47Å; V237-L261 HydrophobicContact CG1-CD2 3.8Å; V237-L261 HydrophobicContact CG1-CG 3.75Å; V237-L264 HydrophobicContact CB-CD1 4.34Å; V237-L264 HydrophobicContact CG2-CD1 4.23Å |
| 238 | C | 98.6 | Very high | 97.2 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -31.5 | 170.3 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | A234 F235 I240 Q257 A276 | A234-C238 PolarHBondContact O-N 2.87Å; A234-C238 PolarHBondContact O-SG 3.26Å; F235-C238 PolarHBondContact O-N 3.38Å; C238-I240 VanDerWaalsContact C-N 3.3Å; C238-I240 PolarHBondContact O-N 3.5Å; C238-Q257 PolarHBondContact O-NE2 2.83Å; C238-A276 WeakPolarHBondContact SG-CB 3.48Å |
| 239 | A | 98.4 | Very high | 97.1 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 21% | 0.207 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q138 F235 V237 N241 | Q138-A239 HydrophobicContact CB-CB 4.44Å; Q138-A239 HydrophobicContact CG-CB 4.02Å; Q138-A239 WeakPolarHBondContact CG-O 3.04Å; Q138-A239 PolarHBondContact NE2-O 3Å; F235-A239 VanDerWaalsContact O-CB 3.31Å; F235-A239 WeakPolarHBondContact O-CB 3.46Å; F235-A239 PolarHBondContact O-N 3.27Å; V237-A239 PolarHBondContact O-N 3.04Å; A239-N241 PolarHBondContact O-N 3.05Å |
| 240 | I | 98.7 | Very high | 97 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | trans | -57.7 | 129 | 169 | -62.9 | 166.6 | 0 | 0 | 0 | 107.8 | L41 E45 V237 C238 P242 L253 Q257 L260 | L41-I240 HydrophobicContact CD1-CD1 4.09Å; L41-I240 HydrophobicContact CD1-CG1 3.99Å; L41-I240 HydrophobicContact CD2-CD1 3.78Å; L41-I240 HydrophobicContact CD2-CG1 4.23Å; E45-I240 WeakPolarHBondContact OE2-CA 3.3Å; V237-I240 HydrophobicContact CG1-CD1 4.22Å; V237-I240 WeakPolarHBondContact O-CB 3.49Å; V237-I240 VanDerWaalsContact O-CG1 3.31Å; V237-I240 WeakPolarHBondContact O-CG1 3.45Å; V237-I240 PolarHBondContact O-N 2.95Å; V237-I240 VanDerWaalsContact O-N 3.12Å; C238-I240 VanDerWaalsContact C-N 3.3Å; C238-I240 PolarHBondContact O-N 3.5Å; I240-P242 WeakPolarHBondContact O-CD 3.42Å; I240-L253 HydrophobicContact CG2-CB 4.37Å; I240-L253 HydrophobicContact CG2-CD2 4.27Å; I240-Q257 HydrophobicContact CB-CB 4.43Å; I240-Q257 HydrophobicContact CB-CG 4.47Å; I240-Q257 HydrophobicContact CD1-CB 4.12Å; I240-Q257 HydrophobicContact CD1-CG 4.45Å; I240-Q257 HydrophobicContact CG2-CB 4.45Å; I240-Q257 PolarHBondContact O-NE2 3.25Å; I240-L260 HydrophobicContact CD1-CD1 4.22Å | ||
| 241 | N | 98.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 41.3 Ų | 41.3 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | trans | -111.8 | 104.9 | 179.7 | -172.1 | -49.3 | 0 | 0 | 0 | 109.7 | E45 H136 A239 S243 | E45-N241 PolarHBondContact OE2-N 3.13Å; H136-N241 PolarHBondContact CE1-O 2.85Å; H136-N241 PolarHBondContact CE1-OD1 2.76Å; A239-N241 PolarHBondContact O-N 3.05Å; N241-S243 VanDerWaalsContact C-N 3.31Å; N241-S243 PolarHBondContact O-N 3.24Å; N241-S243 PolarHBondContact OD1-N 3.32Å; N241-S243 VanDerWaalsContact OD1-N 3.1Å | ||
| 242 | P | 97.5 | Very high | 96.6 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | trans | -71.5 | -18.3 | -178.2 | -21.2 | 34.9 | 0 | 0 | 0 | 115.3 | I240 D249 S250 L253 L254 | I240-P242 WeakPolarHBondContact O-CD 3.42Å; P242-D249 HydrophobicContact CB-CB 4.09Å; P242-S250 PolarHBondContact O-N 2.96Å; P242-L253 HydrophobicContact CB-CB 3.97Å; P242-L253 HydrophobicContact CG-CB 4.35Å; P242-L254 HydrophobicContact CB-CD2 3.99Å; P242-L254 HydrophobicContact CB-CG 3.89Å; P242-L254 HydrophobicContact CG-CD2 3.73Å; P242-L254 HydrophobicContact CG-CG 4.07Å | ||
| 243 | S | 97.2 | Very high | 96.5 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -72.3 | 133.9 | -163.4 | -51.5 | 0 | 0 | 0 | 0 | 113.5 | H136 N241 D249 | H136-S243 PolarHBondContact CE1-O 3.17Å; H136-S243 PolarHBondContact NE2-O 3.45Å; H136-S243 VanDerWaalsContact NE2-O 3.08Å; N241-S243 VanDerWaalsContact C-N 3.31Å; N241-S243 PolarHBondContact O-N 3.24Å; N241-S243 PolarHBondContact OD1-N 3.32Å; N241-S243 VanDerWaalsContact OD1-N 3.1Å; S243-D249 WeakPolarHBondContact CA-OD1 3.12Å; S243-D249 VanDerWaalsContact CB-OD1 3.29Å; S243-D249 WeakPolarHBondContact CB-OD1 3.26Å; S243-D249 PolarHBondContact N-OD1 3.26Å; S243-D249 PolarHBondContact OG-OD1 3.39Å |
| 244 | L | 94.4 | Very high | 96.4 | Very high | 53 Ų | 53 | 43.4 Ų | 43.4 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89.2 | -40.2 | 175 | -46.2 | -175.3 | 0 | 0 | 0 | 110.7 | L48 A49 T248 | L48-L244 WeakPolarHBondContact O-CD2 3.39Å; A49-L244 HydrophobicContact CB-CD2 4.11Å; L244-T248 WeakPolarHBondContact CB-O 3.24Å; L244-T248 HydrophobicContact CD1-CG2 3.86Å; L244-T248 PolarHBondContact N-O 3.31Å |
| 245 | D | 93.6 | Very high | 96.3 | Very high | 90 Ų | 90 | 46 Ų | 46 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -154 | -165.2 | 178.8 | 58.9 | 50.4 | 0 | 0 | 0 | 109.7 | H247 T248 | D245-H247 PolarHBondContact O-N 3.48Å; D245-H247 PolarHBondContact OD1-N 3.22Å; D245-T248 PolarHBondContact N-O 2.86Å; D245-T248 WeakPolarHBondContact OD1-CB 3.5Å; D245-T248 PolarHBondContact OD1-N 3.41Å; D245-T248 PolarHBondContact OD1-OG1 3.26Å; D245-T248 PolarHBondContact OD2-OG1 2.88Å |
| 246 | L | 91.4 | Very high | 96.3 | Very high | 160 Ų | 160 | 45.2 Ų | 45.2 | 84% | 0.838 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -71.2 | -8.6 | -176.6 | -62.7 | 175 | 0 | 0 | 0 | 114.4 | ||
| 247 | H | 93.9 | Very high | 96.3 | Very high | 173 Ų | 173 | 45.2 Ų | 45.2 | 80% | 0.801 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -137.4 | 0.7 | -169.2 | -56.3 | -34.6 | 0 | 0 | 0 | 113.9 | D245 | D245-H247 PolarHBondContact O-N 3.48Å; D245-H247 PolarHBondContact OD1-N 3.22Å |
| 248 | T | 94.1 | Very high | 96.2 | Very high | 63 Ų | 63 | 45.5 Ų | 45.5 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | trans | -143.9 | 130.3 | -170.5 | -34.7 | 0 | 0 | 0 | 0 | 111.3 | L244 D245 | L244-T248 WeakPolarHBondContact CB-O 3.24Å; L244-T248 HydrophobicContact CD1-CG2 3.86Å; L244-T248 PolarHBondContact N-O 3.31Å; D245-T248 PolarHBondContact N-O 2.86Å; D245-T248 WeakPolarHBondContact OD1-CB 3.5Å; D245-T248 PolarHBondContact OD1-N 3.41Å; D245-T248 PolarHBondContact OD1-OG1 3.26Å; D245-T248 PolarHBondContact OD2-OG1 2.88Å | ||
| 249 | D | 95.6 | Very high | 96.2 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -113.8 | 159 | 175.3 | -63.1 | -68.5 | 0 | 0 | 0 | 112.2 | P242 S243 L254 | P242-D249 HydrophobicContact CB-CB 4.09Å; S243-D249 WeakPolarHBondContact CA-OD1 3.12Å; S243-D249 VanDerWaalsContact CB-OD1 3.29Å; S243-D249 WeakPolarHBondContact CB-OD1 3.26Å; S243-D249 PolarHBondContact N-OD1 3.26Å; S243-D249 PolarHBondContact OG-OD1 3.39Å; D249-L254 HydrophobicContact CB-CD1 3.96Å; D249-L254 HydrophobicContact CB-CG 4.48Å |
| 250 | S | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -81.9 | 114.9 | 165.4 | 167.6 | 0 | 0 | 0 | 0 | 110 | P242 E252 L253 L254 | P242-S250 PolarHBondContact O-N 2.96Å; S250-E252 PolarHBondContact O-N 3.38Å; S250-E252 PolarHBondContact OG-N 3.29Å; S250-E252 PolarHBondContact OG-OE2 3.06Å; S250-L253 PolarHBondContact O-N 3.48Å; S250-L253 VanDerWaalsContact O-N 3.1Å; S250-L253 PolarHBondContact OG-N 2.65Å; S250-L254 PolarHBondContact O-N 3.06Å | ||
| 251 | S | 93.7 | Very high | 96.3 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57 | -35.2 | 169 | 50.2 | 0 | 0 | 0 | 0 | 112 | L253 L254 Q255 | S251-L253 VanDerWaalsContact C-N 3.27Å; S251-L253 PolarHBondContact O-N 3.47Å; S251-L254 PolarHBondContact O-N 2.94Å; S251-Q255 WeakPolarHBondContact O-CB 3.48Å; S251-Q255 WeakPolarHBondContact O-CG 3.34Å; S251-Q255 PolarHBondContact O-N 3.39Å |
| 252 | E | 94.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -32 | 177.1 | -55.9 | 94.9 | 169.1 | 0 | 0 | 112.8 | I16 L48 R52 L66 S73 S250 L256 | I16-E252 WeakPolarHBondContact CD1-O 3.41Å; L48-E252 HydrophobicContact CD1-CB 3.78Å; L48-E252 HydrophobicContact CD2-CB 4.04Å; L48-E252 HydrophobicContact CD2-CG 4.22Å; L48-E252 HydrophobicContact CG-CB 4.46Å; R52-E252 IonicContact CZ-OE2 2.78Å; R52-E252 IonicContact NH2-OE1 3.32Å; R52-E252 PolarHBondContact NH2-OE1 2.91Å; R52-E252 IonicContact NH2-OE2 2.78Å; R52-E252 PolarHBondContact NH2-OE2 3.25Å; L66-E252 HydrophobicContact CD1-CB 4.4Å; L66-E252 HydrophobicContact CD1-CG 3.59Å; S73-E252 PolarHBondContact OG-OE1 3.07Å; S250-E252 PolarHBondContact O-N 3.38Å; S250-E252 PolarHBondContact OG-N 3.29Å; S250-E252 PolarHBondContact OG-OE2 3.06Å; E252-L256 VanDerWaalsContact O-CB 3.3Å; E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 PolarHBondContact O-N 3.3Å |
| 253 | L | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82.8 | -38.7 | 175.5 | -70 | 175.2 | 0 | 0 | 0 | 112.8 | V44 E45 L48 A49 I240 P242 S250 S251 L256 Q257 | V44-L253 HydrophobicContact CG1-CD2 4.18Å; E45-L253 HydrophobicContact CB-CD1 4.39Å; E45-L253 HydrophobicContact CB-CD2 4.31Å; E45-L253 HydrophobicContact CG-CD1 3.97Å; L48-L253 HydrophobicContact CB-CD1 3.88Å; L48-L253 HydrophobicContact CB-CD2 4.1Å; L48-L253 HydrophobicContact CB-CG 3.76Å; L48-L253 HydrophobicContact CD1-CD2 3.83Å; L48-L253 HydrophobicContact CD1-CG 4.05Å; A49-L253 HydrophobicContact CB-CD1 3.8Å; I240-L253 HydrophobicContact CG2-CB 4.37Å; I240-L253 HydrophobicContact CG2-CD2 4.27Å; P242-L253 HydrophobicContact CB-CB 3.97Å; P242-L253 HydrophobicContact CG-CB 4.35Å; S250-L253 PolarHBondContact O-N 3.48Å; S250-L253 VanDerWaalsContact O-N 3.1Å; S250-L253 PolarHBondContact OG-N 2.65Å; S251-L253 VanDerWaalsContact C-N 3.27Å; S251-L253 PolarHBondContact O-N 3.47Å; L253-L256 HydrophobicContact CD2-CD2 4.38Å; L253-L256 PolarHBondContact O-N 3.35Å; L253-Q257 WeakPolarHBondContact O-CB 3.47Å; L253-Q257 PolarHBondContact O-N 2.85Å |
| 254 | L | 97.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 19% | 0.194 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56 | -52.3 | 171.7 | -71.9 | 166.6 | 0 | 0 | 0 | 110.5 | P242 D249 S250 S251 L256 Q257 Q258 L283 | P242-L254 HydrophobicContact CB-CD2 3.99Å; P242-L254 HydrophobicContact CB-CG 3.89Å; P242-L254 HydrophobicContact CG-CD2 3.73Å; P242-L254 HydrophobicContact CG-CG 4.07Å; D249-L254 HydrophobicContact CB-CD1 3.96Å; D249-L254 HydrophobicContact CB-CG 4.48Å; S250-L254 PolarHBondContact O-N 3.06Å; S251-L254 PolarHBondContact O-N 2.94Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.1Å; L254-Q257 PolarHBondContact O-N 2.74Å; L254-Q258 VanDerWaalsContact O-CB 3.25Å; L254-Q258 WeakPolarHBondContact O-CB 3.39Å; L254-Q258 PolarHBondContact O-N 3.15Å; L254-L283 HydrophobicContact CB-CD2 4.4Å; L254-L283 HydrophobicContact CD2-CD2 3.56Å |
| 255 | Q | 96.8 | Very high | 96.6 | Very high | 56 Ų | 56 | 42 Ų | 42 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 179 | -69.2 | 179.1 | 1.5 | 0 | 0 | 112.8 | I16 S251 K259 E287 | I16-Q255 HydrophobicContact CD1-CB 3.92Å; S251-Q255 WeakPolarHBondContact O-CB 3.48Å; S251-Q255 WeakPolarHBondContact O-CG 3.34Å; S251-Q255 PolarHBondContact O-N 3.39Å; Q255-K259 WeakPolarHBondContact O-CB 3.07Å; Q255-K259 WeakPolarHBondContact O-CG 3.32Å; Q255-K259 PolarHBondContact O-N 3.11Å; Q255-E287 PolarHBondContact NE2-OE1 3.01Å; Q255-E287 PolarHBondContact NE2-OE2 3.33Å |
| 256 | L | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 173.1 | 176.7 | 62.2 | 0 | 0 | 0 | 111.4 | I16 V19 V20 L41 V44 E252 L253 L254 L260 | I16-L256 HydrophobicContact CG1-CB 4.4Å; I16-L256 HydrophobicContact CG2-CB 4.19Å; I16-L256 HydrophobicContact CG2-CD1 3.86Å; V19-L256 HydrophobicContact CB-CD1 3.94Å; V19-L256 HydrophobicContact CG1-CD1 3.94Å; V20-L256 HydrophobicContact CG2-CD1 4.48Å; L41-L256 HydrophobicContact CD2-CD2 4.22Å; V44-L256 HydrophobicContact CG1-CD2 3.87Å; E252-L256 VanDerWaalsContact O-CB 3.3Å; E252-L256 WeakPolarHBondContact O-CB 3.15Å; E252-L256 PolarHBondContact O-N 3.3Å; L253-L256 HydrophobicContact CD2-CD2 4.38Å; L253-L256 PolarHBondContact O-N 3.35Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-L256 PolarHBondContact O-N 3.1Å; L256-L260 HydrophobicContact CD1-CD1 3.77Å; L256-L260 HydrophobicContact CD1-CG 4.11Å; L256-L260 HydrophobicContact CG-CD1 4Å; L256-L260 WeakPolarHBondContact O-CB 3.37Å; L256-L260 VanDerWaalsContact O-CG 3.24Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.03Å |
| 257 | Q | 98.7 | Very high | 97.1 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.8 | -176.2 | 172.3 | 56.1 | 0 | 0 | 111 | V237 C238 I240 L253 L254 L260 L261 L283 | V237-Q257 HydrophobicContact CG1-CG 4.31Å; V237-Q257 PolarHBondContact O-NE2 3.31Å; C238-Q257 PolarHBondContact O-NE2 2.83Å; I240-Q257 HydrophobicContact CB-CB 4.43Å; I240-Q257 HydrophobicContact CB-CG 4.47Å; I240-Q257 HydrophobicContact CD1-CB 4.12Å; I240-Q257 HydrophobicContact CD1-CG 4.45Å; I240-Q257 HydrophobicContact CG2-CB 4.45Å; I240-Q257 PolarHBondContact O-NE2 3.25Å; L253-Q257 WeakPolarHBondContact O-CB 3.47Å; L253-Q257 PolarHBondContact O-N 2.85Å; L254-Q257 PolarHBondContact O-N 2.74Å; Q257-L260 PolarHBondContact O-N 2.74Å; Q257-L261 HydrophobicContact CG-CD1 4.02Å; Q257-L261 HydrophobicContact CG-CG 4.45Å; Q257-L261 WeakPolarHBondContact O-CB 3.3Å; Q257-L261 WeakPolarHBondContact O-CG 3.22Å; Q257-L261 PolarHBondContact O-N 3.31Å; Q257-L283 HydrophobicContact CB-CD1 4.38Å; Q257-L283 HydrophobicContact CG-CD1 3.95Å |
| 258 | Q | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -50.3 | 177.3 | -173.2 | -176.5 | 26 | 0 | 0 | 112.5 | L254 L260 L261 W262 L283 E284 E287 I289 | L254-Q258 VanDerWaalsContact O-CB 3.25Å; L254-Q258 WeakPolarHBondContact O-CB 3.39Å; L254-Q258 PolarHBondContact O-N 3.15Å; Q258-L260 VanDerWaalsContact C-N 3.34Å; Q258-L260 PolarHBondContact O-N 2.85Å; Q258-L261 PolarHBondContact O-N 3.42Å; Q258-W262 PolarHBondContact O-N 2.8Å; Q258-L283 HydrophobicContact CB-CB 4.29Å; Q258-L283 HydrophobicContact CB-CD1 4.17Å; Q258-L283 HydrophobicContact CG-CB 4.15Å; Q258-E284 PolarHBondContact NE2-OE1 3.07Å; Q258-E287 PolarHBondContact NE2-O 3.24Å; Q258-I289 HydrophobicContact CG-CD1 3.97Å |
| 259 | K | 98.6 | Very high | 97.5 | Very high | 72 Ų | 72 | 30.6 Ų | 30.6 | 31% | 0.313 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.8 | -35 | 177.6 | -70.4 | -165.1 | -156.9 | -171.5 | 0 | 112.9 | I16 D17 V20 Q255 L263 | I16-K259 HydrophobicContact CG2-CD 4.03Å; D17-K259 IonicContact OD1-NZ 2.7Å; D17-K259 PolarHBondContact OD1-NZ 2.88Å; D17-K259 IonicContact OD2-NZ 2.71Å; V20-K259 HydrophobicContact CG2-CB 3.94Å; Q255-K259 WeakPolarHBondContact O-CB 3.07Å; Q255-K259 WeakPolarHBondContact O-CG 3.32Å; Q255-K259 PolarHBondContact O-N 3.11Å; K259-L263 PolarHBondContact O-N 3.44Å |
| 260 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72.9 | -38.7 | 177 | -72.3 | 176.5 | 0 | 0 | 0 | 112.5 | V20 F23 L41 V237 I240 L256 Q257 Q258 L263 L264 | V20-L260 HydrophobicContact CB-CD2 4.34Å; V20-L260 HydrophobicContact CG2-CD2 3.99Å; V20-L260 HydrophobicContact CG2-CG 4.32Å; F23-L260 HydrophobicContact CB-CD2 3.52Å; F23-L260 HydrophobicContact CD1-CD1 4.38Å; F23-L260 HydrophobicContact CD1-CD2 3.81Å; F23-L260 HydrophobicContact CD2-CD1 4.36Å; F23-L260 HydrophobicContact CD2-CD2 3.9Å; F23-L260 HydrophobicContact CE1-CD1 4.31Å; F23-L260 HydrophobicContact CE2-CD1 4.29Å; F23-L260 HydrophobicContact CG-CD1 4.41Å; F23-L260 HydrophobicContact CG-CD2 3.45Å; F23-L260 VanDerWaalsContact CG-CD2 3.45Å; F23-L260 HydrophobicContact CZ-CD1 4.29Å; L41-L260 HydrophobicContact CD2-CD1 3.95Å; V237-L260 HydrophobicContact CB-CB 4.46Å; V237-L260 HydrophobicContact CG1-CB 3.58Å; V237-L260 HydrophobicContact CG1-CD1 4.48Å; V237-L260 HydrophobicContact CG2-CB 3.95Å; V237-L260 HydrophobicContact CG2-CD1 4.04Å; I240-L260 HydrophobicContact CD1-CD1 4.22Å; L256-L260 HydrophobicContact CD1-CD1 3.77Å; L256-L260 HydrophobicContact CD1-CG 4.11Å; L256-L260 HydrophobicContact CG-CD1 4Å; L256-L260 WeakPolarHBondContact O-CB 3.37Å; L256-L260 VanDerWaalsContact O-CG 3.24Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.03Å; Q257-L260 PolarHBondContact O-N 2.74Å; Q258-L260 VanDerWaalsContact C-N 3.34Å; Q258-L260 PolarHBondContact O-N 2.85Å; L260-L263 HydrophobicContact CD2-CD2 4.44Å; L260-L263 WeakPolarHBondContact O-CB 3.48Å; L260-L263 PolarHBondContact O-N 2.93Å; L260-L264 WeakPolarHBondContact O-CD1 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3.38Å; L260-L264 VanDerWaalsContact O-N 3.11Å |
| 261 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 172.1 | -72.2 | 175.6 | 0 | 0 | 0 | 111.3 | V237 Q257 Q258 L263 L264 Y265 L270 A276 T279 L280 L283 | V237-L261 HydrophobicContact CB-CD2 4.47Å; V237-L261 HydrophobicContact CG1-CD2 3.8Å; V237-L261 HydrophobicContact CG1-CG 3.75Å; Q257-L261 HydrophobicContact CG-CD1 4.02Å; Q257-L261 HydrophobicContact CG-CG 4.45Å; Q257-L261 WeakPolarHBondContact O-CB 3.3Å; Q257-L261 WeakPolarHBondContact O-CG 3.22Å; Q257-L261 PolarHBondContact O-N 3.31Å; Q258-L261 PolarHBondContact O-N 3.42Å; L261-L263 PolarHBondContact O-N 3.45Å; L261-L264 PolarHBondContact O-N 2.7Å; L261-Y265 VanDerWaalsContact O-CB 3.26Å; L261-Y265 WeakPolarHBondContact O-CB 3.4Å; L261-Y265 PolarHBondContact O-N 3.09Å; L261-L270 HydrophobicContact CD2-CD1 4.2Å; L261-A276 HydrophobicContact CD2-CB 4.37Å; L261-T279 HydrophobicContact CD1-CG2 4.03Å; L261-L280 HydrophobicContact CB-CB 4.15Å; L261-L280 HydrophobicContact CB-CD1 3.85Å; L261-L280 HydrophobicContact CB-CD2 4.46Å; L261-L280 HydrophobicContact CB-CG 4.37Å; L261-L280 HydrophobicContact CD1-CB 4.16Å; L261-L283 HydrophobicContact CD1-CD1 3.92Å |
| 262 | W | 98.7 | Very high | 98 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 4% | 0.038 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 172 | -90.9 | 122 | 0 | 0 | 0 | 113.7 | Q258 L264 Y265 D266 L280 E284 K292 E293 I298 | Q258-W262 PolarHBondContact O-N 2.8Å; W262-L264 VanDerWaalsContact C-N 3.31Å; W262-L264 PolarHBondContact O-N 3.3Å; W262-Y265 AromaticContact CE3-CD1 3.82Å; W262-Y265 HydrophobicContact CE3-CD1 3.82Å; W262-Y265 HydrophobicContact CE3-CG 4.16Å; W262-Y265 HydrophobicContact CH2-CD1 4.43Å; W262-Y265 HydrophobicContact CH2-CE1 4.5Å; W262-Y265 AromaticContact CZ3-CD1 3.4Å; W262-Y265 HydrophobicContact CZ3-CD1 3.4Å; W262-Y265 AromaticContact CZ3-CE1 3.78Å; W262-Y265 HydrophobicContact CZ3-CE1 3.78Å; W262-Y265 HydrophobicContact CZ3-CG 4.02Å; W262-Y265 PolarHBondContact O-N 2.95Å; W262-D266 WeakPolarHBondContact O-CB 3.24Å; W262-D266 PolarHBondContact O-N 3Å; W262-L280 HydrophobicContact CD2-CD1 4.08Å; W262-L280 HydrophobicContact CD2-CD2 4.18Å; W262-L280 HydrophobicContact CE3-CD2 4.18Å; W262-L280 HydrophobicContact CG-CD1 4.06Å; W262-L280 HydrophobicContact CH2-CD2 4.47Å; W262-L280 HydrophobicContact CZ2-CD1 4.4Å; W262-L280 HydrophobicContact CZ2-CD2 4.47Å; W262-L280 HydrophobicContact CZ3-CD2 4.35Å; W262-E284 HydrophobicContact CZ2-CG 3.69Å; W262-E284 PolarHBondContact NE1-OE1 3.05Å; W262-K292 HydrophobicContact CD2-CD 3.64Å; W262-K292 HydrophobicContact CD2-CG 4.1Å; W262-K292 HydrophobicContact CE3-CD 3.72Å; W262-K292 HydrophobicContact CG-CD 4.33Å; W262-K292 HydrophobicContact CH2-CB 3.93Å; W262-K292 HydrophobicContact CH2-CD 3.88Å; W262-K292 HydrophobicContact CH2-CG 4.26Å; W262-K292 HydrophobicContact CZ2-CB 3.45Å; W262-K292 VanDerWaalsContact CZ2-CB 3.45Å; W262-K292 HydrophobicContact CZ2-CD 3.78Å; W262-K292 HydrophobicContact CZ2-CG 3.72Å; W262-K292 HydrophobicContact CZ3-CD 3.82Å; W262-E293 HydrophobicContact CH2-CB 4.05Å; W262-I298 HydrophobicContact CH2-CD1 3.71Å; W262-I298 HydrophobicContact CZ2-CD1 3.91Å |
| 263 | L | 98.7 | Very high | 98.2 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 175.2 | 170.4 | 64.1 | 0 | 0 | 0 | 111 | V20 F23 D24 L27 K259 L260 L261 R267 | V20-L263 HydrophobicContact CG1-CD2 4.18Å; F23-L263 HydrophobicContact CB-CD2 4.02Å; D24-L263 HydrophobicContact CB-CD1 3.95Å; D24-L263 HydrophobicContact CB-CD2 3.87Å; L27-L263 HydrophobicContact CD1-CD2 4.03Å; L27-L263 HydrophobicContact CD1-CG 4.3Å; K259-L263 PolarHBondContact O-N 3.44Å; L260-L263 HydrophobicContact CD2-CD2 4.44Å; L260-L263 WeakPolarHBondContact O-CB 3.48Å; L260-L263 PolarHBondContact O-N 2.93Å; L261-L263 PolarHBondContact O-N 3.45Å; L263-R267 WeakPolarHBondContact O-CB 3.44Å; L263-R267 WeakPolarHBondContact O-CD 3.35Å; L263-R267 WeakPolarHBondContact O-CG 3.49Å; L263-R267 PolarHBondContact O-N 3.32Å |
| 264 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | 177 | -69.8 | 158 | 0 | 0 | 0 | 112.1 | L27 V233 A234 V237 L260 L261 W262 R267 G268 D269 L270 | L27-L264 HydrophobicContact CD1-CD2 3.68Å; L27-L264 HydrophobicContact CD1-CG 4.25Å; L27-L264 HydrophobicContact CD2-CD2 3.81Å; L27-L264 HydrophobicContact CG-CD2 4.43Å; V233-L264 HydrophobicContact CG1-CD2 4.39Å; A234-L264 HydrophobicContact CB-CD1 3.84Å; A234-L264 HydrophobicContact CB-CD2 4.42Å; V237-L264 HydrophobicContact CB-CD1 4.34Å; V237-L264 HydrophobicContact CG2-CD1 4.23Å; L260-L264 WeakPolarHBondContact O-CD1 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3.38Å; L260-L264 VanDerWaalsContact O-N 3.11Å; L261-L264 PolarHBondContact O-N 2.7Å; W262-L264 VanDerWaalsContact C-N 3.31Å; W262-L264 PolarHBondContact O-N 3.3Å; L264-R267 PolarHBondContact O-N 3.15Å; L264-G268 PolarHBondContact O-N 3.07Å; L264-D269 HydrophobicContact CB-CB 4.29Å; L264-D269 HydrophobicContact CD2-CB 3.86Å; L264-D269 WeakPolarHBondContact O-CB 3.44Å; L264-D269 PolarHBondContact O-N 3.17Å; L264-L270 HydrophobicContact CB-CD1 4.32Å; L264-L270 HydrophobicContact CB-CD2 3.75Å; L264-L270 HydrophobicContact CB-CG 3.78Å; L264-L270 HydrophobicContact CD1-CD2 4.31Å |
| 265 | Y | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 14% | 0.141 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -50.4 | -179.8 | -172.5 | -83.9 | 0 | 0 | 0 | 112.4 | L261 W262 R267 G268 L270 M277 L280 E293 I298 K301 | L261-Y265 VanDerWaalsContact O-CB 3.26Å; L261-Y265 WeakPolarHBondContact O-CB 3.4Å; L261-Y265 PolarHBondContact O-N 3.09Å; W262-Y265 AromaticContact CE3-CD1 3.82Å; W262-Y265 HydrophobicContact CE3-CD1 3.82Å; W262-Y265 HydrophobicContact CE3-CG 4.16Å; W262-Y265 HydrophobicContact CH2-CD1 4.43Å; W262-Y265 HydrophobicContact CH2-CE1 4.5Å; W262-Y265 AromaticContact CZ3-CD1 3.4Å; W262-Y265 HydrophobicContact CZ3-CD1 3.4Å; W262-Y265 AromaticContact CZ3-CE1 3.78Å; W262-Y265 HydrophobicContact CZ3-CE1 3.78Å; W262-Y265 HydrophobicContact CZ3-CG 4.02Å; W262-Y265 PolarHBondContact O-N 2.95Å; Y265-R267 PolarHBondContact O-N 2.53Å; Y265-G268 PolarHBondContact O-N 3.18Å; Y265-L270 HydrophobicContact CD2-CB 4.46Å; Y265-L270 HydrophobicContact CD2-CD1 4.28Å; Y265-M277 HydrophobicContact CD2-CG 4.13Å; Y265-M277 HydrophobicContact CD2-SD 4.43Å; Y265-M277 HydrophobicContact CE2-CG 4.06Å; Y265-M277 HydrophobicContact CE2-SD 3.92Å; Y265-L280 HydrophobicContact CD2-CD2 3.64Å; Y265-L280 HydrophobicContact CE2-CD2 4.42Å; Y265-L280 HydrophobicContact CG-CD2 3.76Å; Y265-E293 PolarHBondContact OH-OE2 3.12Å; Y265-I298 HydrophobicContact CE2-CG2 4.08Å; Y265-K301 WeakPolarHBondContact OH-CD 3.09Å; Y265-K301 PolarHBondContact OH-NZ 3.31Å |
| 266 | D | 98.1 | Very high | 98.4 | Very high | 106 Ų | 106 | 29.9 Ų | 29.9 | 57% | 0.567 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -59.6 | -21.4 | 178.7 | -68.4 | -15.7 | 0 | 0 | 0 | 112.4 | W262 K292 | W262-D266 WeakPolarHBondContact O-CB 3.24Å; W262-D266 PolarHBondContact O-N 3Å; D266-K292 IonicContact OD1-NZ 2.66Å; D266-K292 PolarHBondContact OD1-NZ 3.21Å; D266-K292 IonicContact OD2-NZ 2.66Å; D266-K292 PolarHBondContact OD2-NZ 3.32Å |
| 267 | R | 97.6 | Very high | 98.5 | Very high | 85 Ų | 85 | 30.2 Ų | 30.2 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.8 | 177.3 | -71.7 | 170.1 | 39 | 101.6 | 16.4 | 114.2 | L27 N230 L263 L264 Y265 D269 | L27-R267 VanDerWaalsContact C-NH1 3.33Å; L27-R267 VanDerWaalsContact O-CZ 3.31Å; L27-R267 PolarHBondContact O-NH1 2.83Å; L27-R267 PolarHBondContact O-NH2 2.89Å; N230-R267 PolarHBondContact ND2-NH2 3.23Å; L263-R267 WeakPolarHBondContact O-CB 3.44Å; L263-R267 WeakPolarHBondContact O-CD 3.35Å; L263-R267 WeakPolarHBondContact O-CG 3.49Å; L263-R267 PolarHBondContact O-N 3.32Å; L264-R267 PolarHBondContact O-N 3.15Å; Y265-R267 PolarHBondContact O-N 2.53Å; R267-D269 VanDerWaalsContact C-N 3.28Å; R267-D269 IonicContact CZ-OD2 3.21Å; R267-D269 IonicContact NE-OD2 3.7Å; R267-D269 PolarHBondContact NE-OD2 2.86Å; R267-D269 IonicContact NH2-OD1 3.66Å; R267-D269 IonicContact NH2-OD2 2.85Å; R267-D269 PolarHBondContact NH2-OD2 2.68Å |
| 268 | G | 97.9 | Very high | 98.5 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 34% | 0.34 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 11.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L264 Y265 L270 D271 | L264-G268 PolarHBondContact O-N 3.07Å; Y265-G268 PolarHBondContact O-N 3.18Å; G268-L270 PolarHBondContact O-N 3.36Å; G268-D271 WeakPolarHBondContact O-CB 3.46Å; G268-D271 PolarHBondContact O-N 2.98Å |
| 269 | D | 98.1 | Very high | 98.4 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -19.6 | 177.5 | -69.2 | -48.7 | 0 | 0 | 0 | 111.9 | N230 L264 R267 | N230-D269 HydrophobicContact CB-CB 4.13Å; N230-D269 WeakPolarHBondContact CB-OD1 3.46Å; N230-D269 PolarHBondContact ND2-OD1 3.4Å; L264-D269 HydrophobicContact CB-CB 4.29Å; L264-D269 HydrophobicContact CD2-CB 3.86Å; L264-D269 WeakPolarHBondContact O-CB 3.44Å; L264-D269 PolarHBondContact O-N 3.17Å; R267-D269 VanDerWaalsContact C-N 3.28Å; R267-D269 IonicContact CZ-OD2 3.21Å; R267-D269 IonicContact NE-OD2 3.7Å; R267-D269 PolarHBondContact NE-OD2 2.86Å; R267-D269 IonicContact NH2-OD1 3.66Å; R267-D269 IonicContact NH2-OD2 2.85Å; R267-D269 PolarHBondContact NH2-OD2 2.68Å |
| 270 | L | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.6 | 174 | -57.5 | -167.4 | 0 | 0 | 0 | 114.6 | A234 L261 L264 Y265 G268 R272 Y273 A276 M277 L280 | A234-L270 HydrophobicContact CB-CD2 3.53Å; L261-L270 HydrophobicContact CD2-CD1 4.2Å; L264-L270 HydrophobicContact CB-CD1 4.32Å; L264-L270 HydrophobicContact CB-CD2 3.75Å; L264-L270 HydrophobicContact CB-CG 3.78Å; L264-L270 HydrophobicContact CD1-CD2 4.31Å; Y265-L270 HydrophobicContact CD2-CB 4.46Å; Y265-L270 HydrophobicContact CD2-CD1 4.28Å; G268-L270 PolarHBondContact O-N 3.36Å; L270-R272 PolarHBondContact O-N 2.86Å; L270-Y273 PolarHBondContact O-N 3.14Å; L270-A276 HydrophobicContact CD1-CB 4.22Å; L270-A276 HydrophobicContact CD2-CB 3.89Å; L270-M277 HydrophobicContact CB-CG 4.01Å; L270-M277 HydrophobicContact CD1-CG 4.47Å; L270-M277 WeakPolarHBondContact O-CE 3.47Å; L270-L280 HydrophobicContact CD1-CD2 4.49Å |
| 271 | D | 98 | Very high | 98.4 | Very high | 87 Ų | 87 | 27.2 Ų | 27.2 | 47% | 0.465 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -26.5 | -177.4 | -104.4 | 39.8 | 0 | 0 | 0 | 114 | G268 S305 F309 | G268-D271 WeakPolarHBondContact O-CB 3.46Å; G268-D271 PolarHBondContact O-N 2.98Å; D271-S305 WeakPolarHBondContact O-CB 3.32Å; D271-S305 PolarHBondContact O-OG 2.89Å; D271-F309 WeakPolarHBondContact O-CD2 3.36Å; D271-F309 WeakPolarHBondContact O-CE2 3.36Å |
| 272 | R | 98.5 | Very high | 98.4 | Very high | 92 Ų | 92 | 28.7 Ų | 28.7 | 35% | 0.347 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 22.7 | -178.6 | -69.2 | 174.9 | -68.5 | 146.9 | 8.9 | 112.6 | D228 M231 L270 F309 Y310 | D228-R272 IonicContact OD2-CZ 3.51Å; D228-R272 IonicContact OD2-NH1 3.37Å; D228-R272 IonicContact OD2-NH2 3.23Å; D228-R272 PolarHBondContact OD2-NH2 3.43Å; M231-R272 HydrophobicContact CE-CB 4.01Å; M231-R272 VanDerWaalsContact CE-O 3.24Å; M231-R272 WeakPolarHBondContact CE-O 3.49Å; M231-R272 HydrophobicContact SD-CB 4.14Å; L270-R272 PolarHBondContact O-N 2.86Å; R272-F309 HydrophobicContact CG-CB 4.48Å; R272-F309 HydrophobicContact CG-CD1 3.91Å; R272-F309 HydrophobicContact CG-CD2 3.76Å; R272-F309 HydrophobicContact CG-CE1 3.91Å; R272-F309 HydrophobicContact CG-CE2 3.78Å; R272-F309 HydrophobicContact CG-CG 3.81Å; R272-F309 HydrophobicContact CG-CZ 3.82Å; R272-Y310 WeakPolarHBondContact O-CE2 3.37Å; R272-Y310 PolarHBondContact O-OH 2.94Å |
| 273 | Y | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | trans | -129.6 | 80.6 | 179.6 | -156.1 | -29.4 | 0 | 0 | 0 | 110.4 | M225 A234 F235 L270 M275 A276 M277 | M225-Y273 HydrophobicContact CE-CD1 3.4Å; M225-Y273 VanDerWaalsContact CE-CD1 3.4Å; M225-Y273 HydrophobicContact CE-CD2 3.55Å; M225-Y273 HydrophobicContact CE-CE1 3.63Å; M225-Y273 HydrophobicContact CE-CE2 3.75Å; M225-Y273 HydrophobicContact CE-CG 3.37Å; M225-Y273 HydrophobicContact SD-CD1 3.81Å; M225-Y273 HydrophobicContact SD-CE1 3.97Å; M225-Y273 HydrophobicContact SD-CG 4.33Å; A234-Y273 HydrophobicContact CB-CD2 3.65Å; A234-Y273 HydrophobicContact CB-CE2 3.86Å; F235-Y273 HydrophobicContact CB-CE2 4.22Å; L270-Y273 PolarHBondContact O-N 3.14Å; Y273-M275 HydrophobicContact CD1-CB 4.33Å; Y273-M275 HydrophobicContact CE1-CB 4.1Å; Y273-M275 HydrophobicContact CE1-CE 4.47Å; Y273-M275 PolarHBondContact O-N 3.21Å; Y273-A276 HydrophobicContact CD1-CB 3.44Å; Y273-A276 VanDerWaalsContact CD1-CB 3.44Å; Y273-A276 HydrophobicContact CD2-CB 3.89Å; Y273-A276 HydrophobicContact CE1-CB 3.89Å; Y273-A276 HydrophobicContact CE2-CB 4.31Å; Y273-A276 HydrophobicContact CG-CB 3.43Å; Y273-A276 VanDerWaalsContact CG-CB 3.43Å; Y273-A276 PolarHBondContact O-N 2.87Å; Y273-M277 PolarHBondContact O-N 3.24Å | ||
| 274 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.6 | -48.5 | -176.9 | -26.4 | 34.8 | 0 | 0 | 0 | 113.7 | A276 M277 G278 A302 A306 Y310 P317 | P274-A276 PolarHBondContact O-N 3.32Å; P274-M277 PolarHBondContact O-N 2.82Å; P274-G278 PolarHBondContact O-N 3.08Å; P274-A302 WeakPolarHBondContact O-CB 3.39Å; P274-A306 HydrophobicContact CG-CB 4.3Å; P274-Y310 HydrophobicContact CG-CD2 4.07Å; P274-Y310 HydrophobicContact CG-CE2 4.22Å; P274-P317 HydrophobicContact CB-CB 4.34Å; P274-P317 HydrophobicContact CB-CG 3.42Å; P274-P317 VanDerWaalsContact CB-CG 3.42Å; P274-P317 HydrophobicContact CG-CG 4.49Å |
| 275 | M | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 29.2 Ų | 29.2 | 13% | 0.128 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | -179.6 | -66.6 | 176.3 | -81.1 | 0 | 0 | 113 | E176 M225 Y273 M277 G278 T279 Y316 Y320 | E176-M275 HydrophobicContact CB-SD 4.34Å; E176-M275 HydrophobicContact CG-CE 4.1Å; E176-M275 HydrophobicContact CG-SD 3.99Å; M225-M275 HydrophobicContact SD-CE 4.06Å; Y273-M275 HydrophobicContact CD1-CB 4.33Å; Y273-M275 HydrophobicContact CE1-CB 4.1Å; Y273-M275 HydrophobicContact CE1-CE 4.47Å; Y273-M275 PolarHBondContact O-N 3.21Å; M275-M277 VanDerWaalsContact C-N 3.33Å; M275-M277 PolarHBondContact O-N 2.88Å; M275-G278 CarbonylContact O-C 3.59Å; M275-G278 WeakPolarHBondContact O-CA 3.41Å; M275-G278 PolarHBondContact O-N 3.13Å; M275-T279 PolarHBondContact O-N 3.13Å; M275-T279 PolarHBondContact O-OG1 3.07Å; M275-T279 VanDerWaalsContact O-OG1 3.05Å; M275-Y316 HydrophobicContact SD-CD2 4.18Å; M275-Y320 HydrophobicContact CB-CE2 4.36Å; M275-Y320 HydrophobicContact CG-CE2 4.47Å |
| 276 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -34.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C238 L261 L270 Y273 P274 L280 | C238-A276 WeakPolarHBondContact SG-CB 3.48Å; L261-A276 HydrophobicContact CD2-CB 4.37Å; L270-A276 HydrophobicContact CD1-CB 4.22Å; L270-A276 HydrophobicContact CD2-CB 3.89Å; Y273-A276 HydrophobicContact CD1-CB 3.44Å; Y273-A276 VanDerWaalsContact CD1-CB 3.44Å; Y273-A276 HydrophobicContact CD2-CB 3.89Å; Y273-A276 HydrophobicContact CE1-CB 3.89Å; Y273-A276 HydrophobicContact CE2-CB 4.31Å; Y273-A276 HydrophobicContact CG-CB 3.43Å; Y273-A276 VanDerWaalsContact CG-CB 3.43Å; Y273-A276 PolarHBondContact O-N 2.87Å; P274-A276 PolarHBondContact O-N 3.32Å; A276-L280 WeakPolarHBondContact O-CB 3.31Å; A276-L280 PolarHBondContact O-N 3.42Å |
| 277 | M | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -36.2 | 168.9 | -73.1 | -171.3 | -77.6 | 0 | 0 | 111.7 | Y265 L270 Y273 P274 M275 L280 A281 I298 K301 A302 | Y265-M277 HydrophobicContact CD2-CG 4.13Å; Y265-M277 HydrophobicContact CD2-SD 4.43Å; Y265-M277 HydrophobicContact CE2-CG 4.06Å; Y265-M277 HydrophobicContact CE2-SD 3.92Å; L270-M277 HydrophobicContact CB-CG 4.01Å; L270-M277 HydrophobicContact CD1-CG 4.47Å; L270-M277 WeakPolarHBondContact O-CE 3.47Å; Y273-M277 PolarHBondContact O-N 3.24Å; P274-M277 PolarHBondContact O-N 2.82Å; M275-M277 VanDerWaalsContact C-N 3.33Å; M275-M277 PolarHBondContact O-N 2.88Å; M277-L280 PolarHBondContact O-N 3.14Å; M277-A281 VanDerWaalsContact O-CB 3.32Å; M277-A281 WeakPolarHBondContact O-CB 3.38Å; M277-A281 PolarHBondContact O-N 3.48Å; M277-I298 HydrophobicContact CB-CG2 4.01Å; M277-I298 VanDerWaalsContact O-CG2 3.26Å; M277-I298 WeakPolarHBondContact O-CG2 3.35Å; M277-K301 HydrophobicContact SD-CB 4.12Å; M277-A302 HydrophobicContact CB-CB 3.9Å |
| 278 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P274 M275 L280 A281 D282 | P274-G278 PolarHBondContact O-N 3.08Å; M275-G278 CarbonylContact O-C 3.59Å; M275-G278 WeakPolarHBondContact O-CA 3.41Å; M275-G278 PolarHBondContact O-N 3.13Å; G278-L280 PolarHBondContact O-N 3.28Å; G278-A281 PolarHBondContact O-N 2.88Å; G278-D282 PolarHBondContact O-N 3.22Å |
| 279 | T | 98.5 | Very high | 97.7 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.6 | -41.4 | 0 | 0 | 0 | 0 | 112.2 | L261 M275 A281 D282 L283 | L261-T279 HydrophobicContact CD1-CG2 4.03Å; M275-T279 PolarHBondContact O-N 3.13Å; M275-T279 PolarHBondContact O-OG1 3.07Å; M275-T279 VanDerWaalsContact O-OG1 3.05Å; T279-A281 VanDerWaalsContact C-N 3.35Å; T279-D282 PolarHBondContact O-N 3.41Å; T279-L283 HydrophobicContact CG2-CD1 4.25Å; T279-L283 VanDerWaalsContact O-CG 3.32Å; T279-L283 WeakPolarHBondContact O-CG 3.24Å; T279-L283 PolarHBondContact O-N 3.01Å |
| 280 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.9 | 177.1 | 58 | 0 | 0 | 0 | 111.7 | L261 W262 Y265 L270 A276 M277 G278 L283 E284 I298 | L261-L280 HydrophobicContact CB-CB 4.15Å; L261-L280 HydrophobicContact CB-CD1 3.85Å; L261-L280 HydrophobicContact CB-CD2 4.46Å; L261-L280 HydrophobicContact CB-CG 4.37Å; L261-L280 HydrophobicContact CD1-CB 4.16Å; W262-L280 HydrophobicContact CD2-CD1 4.08Å; W262-L280 HydrophobicContact CD2-CD2 4.18Å; W262-L280 HydrophobicContact CE3-CD2 4.18Å; W262-L280 HydrophobicContact CG-CD1 4.06Å; W262-L280 HydrophobicContact CH2-CD2 4.47Å; W262-L280 HydrophobicContact CZ2-CD1 4.4Å; W262-L280 HydrophobicContact CZ2-CD2 4.47Å; W262-L280 HydrophobicContact CZ3-CD2 4.35Å; Y265-L280 HydrophobicContact CD2-CD2 3.64Å; Y265-L280 HydrophobicContact CE2-CD2 4.42Å; Y265-L280 HydrophobicContact CG-CD2 3.76Å; L270-L280 HydrophobicContact CD1-CD2 4.49Å; A276-L280 WeakPolarHBondContact O-CB 3.31Å; A276-L280 PolarHBondContact O-N 3.42Å; M277-L280 PolarHBondContact O-N 3.14Å; G278-L280 PolarHBondContact O-N 3.28Å; L280-L283 PolarHBondContact O-N 3.43Å; L280-E284 HydrophobicContact CD1-CG 4.32Å; L280-E284 WeakPolarHBondContact O-CG 3.47Å; L280-E284 PolarHBondContact O-N 3.43Å; L280-I298 HydrophobicContact CD2-CD1 4.5Å; L280-I298 HydrophobicContact CG-CD1 4.35Å |
| 281 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | M277 G278 T279 L283 E284 D285 P295 I298 H299 | M277-A281 VanDerWaalsContact O-CB 3.32Å; M277-A281 WeakPolarHBondContact O-CB 3.38Å; M277-A281 PolarHBondContact O-N 3.48Å; G278-A281 PolarHBondContact O-N 2.88Å; T279-A281 VanDerWaalsContact C-N 3.35Å; A281-L283 VanDerWaalsContact C-N 3.28Å; A281-L283 PolarHBondContact O-N 3.13Å; A281-E284 PolarHBondContact O-N 2.78Å; A281-D285 WeakPolarHBondContact O-CB 3.38Å; A281-D285 PolarHBondContact O-N 3.27Å; A281-P295 HydrophobicContact CB-CB 4.42Å; A281-I298 HydrophobicContact CB-CB 3.86Å; A281-I298 HydrophobicContact CB-CG2 3.88Å; A281-H299 WeakPolarHBondContact CB-CE1 3.46Å; A281-H299 WeakPolarHBondContact CB-NE2 3.45Å |
| 282 | D | 98.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 43 Ų | 43 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -30.3 | 175.1 | -84.7 | -10.4 | 0 | 0 | 0 | 113 | G278 T279 Q286 H299 Y320 R327 | G278-D282 PolarHBondContact O-N 3.22Å; T279-D282 PolarHBondContact O-N 3.41Å; D282-Q286 WeakPolarHBondContact O-CG 3.4Å; D282-Q286 PolarHBondContact O-NE2 3.33Å; D282-H299 IonicContact OD1-CE1 2.85Å; D282-H299 IonicContact OD1-NE2 2.66Å; D282-Y320 VanDerWaalsContact OD2-CD1 3.25Å; D282-Y320 WeakPolarHBondContact OD2-CD1 3.46Å; D282-Y320 VanDerWaalsContact OD2-CE1 3.26Å; D282-Y320 WeakPolarHBondContact OD2-CE1 3.36Å; D282-R327 IonicContact OD1-CZ 2.64Å; D282-R327 IonicContact OD1-NH1 2.99Å; D282-R327 PolarHBondContact OD1-NH1 3.48Å; D282-R327 IonicContact OD1-NH2 2.73Å; D282-R327 PolarHBondContact OD1-NH2 3.11Å; D282-R327 IonicContact OD2-NH1 3.45Å |
| 283 | L | 98.1 | Very high | 97.1 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75 | -44.2 | 174.5 | -72 | 164.4 | 0 | 0 | 0 | 111.9 | L254 Q257 Q258 L261 T279 L280 A281 D285 Q286 E287 | L254-L283 HydrophobicContact CB-CD2 4.4Å; L254-L283 HydrophobicContact CD2-CD2 3.56Å; Q257-L283 HydrophobicContact CB-CD1 4.38Å; Q257-L283 HydrophobicContact CG-CD1 3.95Å; Q258-L283 HydrophobicContact CB-CB 4.29Å; Q258-L283 HydrophobicContact CB-CD1 4.17Å; Q258-L283 HydrophobicContact CG-CB 4.15Å; L261-L283 HydrophobicContact CD1-CD1 3.92Å; T279-L283 HydrophobicContact CG2-CD1 4.25Å; T279-L283 VanDerWaalsContact O-CG 3.32Å; T279-L283 WeakPolarHBondContact O-CG 3.24Å; T279-L283 PolarHBondContact O-N 3.01Å; L280-L283 PolarHBondContact O-N 3.43Å; A281-L283 VanDerWaalsContact C-N 3.28Å; A281-L283 PolarHBondContact O-N 3.13Å; L283-D285 PolarHBondContact O-N 3.3Å; L283-Q286 PolarHBondContact O-N 2.64Å; L283-Q286 VanDerWaalsContact O-N 3.08Å; L283-E287 PolarHBondContact O-N 3.26Å |
| 284 | E | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -22.9 | 172.9 | -72.1 | -64.2 | 120.5 | 0 | 0 | 113.3 | Q258 W262 L280 A281 Q286 P288 I289 P295 I298 | Q258-E284 PolarHBondContact NE2-OE1 3.07Å; W262-E284 HydrophobicContact CZ2-CG 3.69Å; W262-E284 PolarHBondContact NE1-OE1 3.05Å; L280-E284 HydrophobicContact CD1-CG 4.32Å; L280-E284 WeakPolarHBondContact O-CG 3.47Å; L280-E284 PolarHBondContact O-N 3.43Å; A281-E284 PolarHBondContact O-N 2.78Å; E284-Q286 VanDerWaalsContact C-N 3.29Å; E284-P288 WeakPolarHBondContact O-CA 3.45Å; E284-P288 WeakPolarHBondContact O-CB 3.47Å; E284-P288 WeakPolarHBondContact O-CG 3.3Å; E284-I289 WeakPolarHBondContact OE1-CG1 3.48Å; E284-I289 PolarHBondContact OE2-N 2.99Å; E284-P295 HydrophobicContact CB-CG 3.83Å; E284-I298 HydrophobicContact CG-CD1 4.43Å |
| 285 | D | 96.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 20% | 0.198 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -25 | 173.1 | -155 | 40.7 | 0 | 0 | 0 | 112.5 | A281 L283 P295 F324 R327 H328 | A281-D285 WeakPolarHBondContact O-CB 3.38Å; A281-D285 PolarHBondContact O-N 3.27Å; L283-D285 PolarHBondContact O-N 3.3Å; D285-P295 HydrophobicContact CB-CB 4.42Å; D285-P295 HydrophobicContact CB-CG 4.3Å; D285-F324 VanDerWaalsContact OD1-CE2 3.25Å; D285-F324 WeakPolarHBondContact OD1-CE2 3.36Å; D285-R327 IonicContact OD2-CZ 2.73Å; D285-R327 IonicContact OD2-NE 4Å; D285-R327 PolarHBondContact OD2-NE 2.89Å; D285-R327 IonicContact OD2-NH2 2.81Å; D285-R327 PolarHBondContact OD2-NH2 3.45Å; D285-H328 IonicContact OD1-CE1 3.15Å; D285-H328 PolarHBondContact OD1-CE1 3.25Å; D285-H328 IonicContact OD1-NE2 3.85Å; D285-H328 IonicContact OD2-CE1 3.59Å |
| 286 | Q | 94.9 | Very high | 96.9 | Very high | 133 Ų | 133 | 47 Ų | 47 | 62% | 0.621 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -47.7 | -178.5 | -70.9 | 171.2 | 80.6 | 0 | 0 | 112.6 | D282 L283 E284 | D282-Q286 WeakPolarHBondContact O-CG 3.4Å; D282-Q286 PolarHBondContact O-NE2 3.33Å; L283-Q286 PolarHBondContact O-N 2.64Å; L283-Q286 VanDerWaalsContact O-N 3.08Å; E284-Q286 VanDerWaalsContact C-N 3.29Å |
| 287 | E | 95.2 | Very high | 96.9 | Very high | 96 Ų | 96 | 51.4 Ų | 51.4 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -134.2 | 77.2 | 179.4 | -166 | 176.6 | -176.4 | 0 | 0 | 110.6 | Q255 Q258 L283 I289 | Q255-E287 PolarHBondContact NE2-OE1 3.01Å; Q255-E287 PolarHBondContact NE2-OE2 3.33Å; Q258-E287 PolarHBondContact NE2-O 3.24Å; L283-E287 PolarHBondContact O-N 3.26Å; E287-I289 PolarHBondContact O-N 3.29Å |
| 288 | P | 95.7 | Very high | 96.9 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 60% | 0.597 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 130.5 | -171.7 | -14.2 | 21.4 | 0 | 0 | 0 | 113.5 | E284 | E284-P288 WeakPolarHBondContact O-CA 3.45Å; E284-P288 WeakPolarHBondContact O-CB 3.47Å; E284-P288 WeakPolarHBondContact O-CG 3.3Å |
| 289 | I | 95 | Very high | 96.9 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -85 | 125.2 | 179.9 | -65.6 | 179.2 | 0 | 0 | 0 | 110.6 | Q258 E284 E287 G291 K292 | Q258-I289 HydrophobicContact CG-CD1 3.97Å; E284-I289 WeakPolarHBondContact OE1-CG1 3.48Å; E284-I289 PolarHBondContact OE2-N 2.99Å; E287-I289 PolarHBondContact O-N 3.29Å; I289-G291 PolarHBondContact O-N 3.12Å; I289-K292 HydrophobicContact CB-CB 4.27Å; I289-K292 HydrophobicContact CB-CG 3.78Å; I289-K292 HydrophobicContact CG2-CG 3.71Å; I289-K292 WeakPolarHBondContact O-CB 3.48Å; I289-K292 PolarHBondContact O-N 2.87Å |
| 290 | P | 95.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 53.7 Ų | 53.7 | 84% | 0.838 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 123 | -177.5 | -28.7 | 36.3 | 0 | 0 | 0 | 114 | ||
| 291 | G | 94.1 | Very high | 96.9 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 91% | 0.907 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 4.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | I289 | I289-G291 PolarHBondContact O-N 3.12Š|
| 292 | K | 95.8 | Very high | 96.9 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -82.8 | 173.1 | 169.6 | -75.1 | -57.5 | -160.3 | 170.5 | 0 | 113 | W262 D266 I289 | W262-K292 HydrophobicContact CD2-CD 3.64Å; W262-K292 HydrophobicContact CD2-CG 4.1Å; W262-K292 HydrophobicContact CE3-CD 3.72Å; W262-K292 HydrophobicContact CG-CD 4.33Å; W262-K292 HydrophobicContact CH2-CB 3.93Å; W262-K292 HydrophobicContact CH2-CD 3.88Å; W262-K292 HydrophobicContact CH2-CG 4.26Å; W262-K292 HydrophobicContact CZ2-CB 3.45Å; W262-K292 VanDerWaalsContact CZ2-CB 3.45Å; W262-K292 HydrophobicContact CZ2-CD 3.78Å; W262-K292 HydrophobicContact CZ2-CG 3.72Å; W262-K292 HydrophobicContact CZ3-CD 3.82Å; D266-K292 IonicContact OD1-NZ 2.66Å; D266-K292 PolarHBondContact OD1-NZ 3.21Å; D266-K292 IonicContact OD2-NZ 2.66Å; D266-K292 PolarHBondContact OD2-NZ 3.32Å; I289-K292 HydrophobicContact CB-CB 4.27Å; I289-K292 HydrophobicContact CB-CG 3.78Å; I289-K292 HydrophobicContact CG2-CG 3.71Å; I289-K292 WeakPolarHBondContact O-CB 3.48Å; I289-K292 PolarHBondContact O-N 2.87Å |
| 293 | E | 95.6 | Very high | 97 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -79 | 146.7 | -178.1 | -162 | 178.7 | -106 | 0 | 0 | 111.6 | W262 Y265 Q297 I298 K301 | W262-E293 HydrophobicContact CH2-CB 4.05Å; Y265-E293 PolarHBondContact OH-OE2 3.12Å; E293-Q297 HydrophobicContact CG-CB 4.03Å; E293-I298 HydrophobicContact CB-CG1 4.42Å; E293-K301 IonicContact OE1-NZ 2.75Å; E293-K301 PolarHBondContact OE1-NZ 2.79Å; E293-K301 WeakPolarHBondContact OE2-CE 3.29Å; E293-K301 IonicContact OE2-NZ 3.17Å; E293-K301 PolarHBondContact OE2-NZ 2.63Å |
| 294 | N | 95.7 | Very high | 97 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 135.9 | -177.6 | 179.7 | -78.1 | 0 | 0 | 0 | 112.5 | L296 Q297 I298 | N294-L296 VanDerWaalsContact C-N 3.28Å; N294-L296 PolarHBondContact O-N 2.78Å; N294-L296 VanDerWaalsContact O-N 3.12Å; N294-L296 VanDerWaalsContact OD1-CB 3.27Å; N294-L296 WeakPolarHBondContact OD1-CB 3.42Å; N294-L296 PolarHBondContact OD1-N 2.6Å; N294-Q297 HydrophobicContact CB-CG 4.38Å; N294-Q297 WeakPolarHBondContact O-CB 3.21Å; N294-Q297 PolarHBondContact O-N 3.02Å; N294-I298 PolarHBondContact O-N 3.05Å |
| 295 | P | 97.7 | Very high | 97 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -47.5 | -42.5 | -179.9 | -31.1 | 34.2 | 0 | 0 | 0 | 115.2 | A281 E284 D285 Q297 I298 H299 F324 | A281-P295 HydrophobicContact CB-CB 4.42Å; E284-P295 HydrophobicContact CB-CG 3.83Å; D285-P295 HydrophobicContact CB-CB 4.42Å; D285-P295 HydrophobicContact CB-CG 4.3Å; P295-Q297 VanDerWaalsContact C-N 3.29Å; P295-Q297 PolarHBondContact O-N 3.28Å; P295-I298 WeakPolarHBondContact O-CB 3.32Å; P295-I298 PolarHBondContact O-N 3.05Å; P295-I298 VanDerWaalsContact O-N 3.07Å; P295-H299 PolarHBondContact O-CD2 3.41Å; P295-H299 PolarHBondContact O-N 3.18Å; P295-F324 HydrophobicContact CB-CD2 4.24Å; P295-F324 HydrophobicContact CB-CE2 3.89Å |
| 296 | L | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 56 Ų | 56 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 179.4 | -180 | 57.7 | 0 | 0 | 0 | 112.2 | N294 I298 L300 L321 F324 | N294-L296 VanDerWaalsContact C-N 3.28Å; N294-L296 PolarHBondContact O-N 2.78Å; N294-L296 VanDerWaalsContact O-N 3.12Å; N294-L296 VanDerWaalsContact OD1-CB 3.27Å; N294-L296 WeakPolarHBondContact OD1-CB 3.42Å; N294-L296 PolarHBondContact OD1-N 2.6Å; L296-I298 VanDerWaalsContact C-N 3.34Å; L296-L300 HydrophobicContact CD1-CD1 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.27Å; L296-L300 HydrophobicContact CG-CD1 4.06Å; L296-L300 WeakPolarHBondContact O-CB 3.37Å; L296-L300 WeakPolarHBondContact O-CD1 3.4Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 2.83Å; L296-L321 HydrophobicContact CD1-CD1 3.57Å; L296-F324 HydrophobicContact CB-CE1 3.8Å; L296-F324 HydrophobicContact CB-CZ 3.96Å; L296-F324 HydrophobicContact CD1-CD1 4.05Å; L296-F324 HydrophobicContact CD1-CE1 3.87Å; L296-F324 HydrophobicContact CD2-CE1 4.35Å; L296-F324 HydrophobicContact CG-CE1 4.21Å |
| 297 | Q | 98.4 | Very high | 97.3 | Very high | 92 Ų | 92 | 54.4 Ų | 54.4 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.4 | -33.4 | 176.6 | -61.9 | -58.3 | -61 | 0 | 0 | 111.6 | E293 N294 P295 K301 | E293-Q297 HydrophobicContact CG-CB 4.03Å; N294-Q297 HydrophobicContact CB-CG 4.38Å; N294-Q297 WeakPolarHBondContact O-CB 3.21Å; N294-Q297 PolarHBondContact O-N 3.02Å; P295-Q297 VanDerWaalsContact C-N 3.29Å; P295-Q297 PolarHBondContact O-N 3.28Å; Q297-K301 WeakPolarHBondContact O-CB 3.18Å; Q297-K301 VanDerWaalsContact O-CG 3.28Å; Q297-K301 WeakPolarHBondContact O-CG 3.1Å; Q297-K301 PolarHBondContact O-N 3.17Å |
| 298 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.9 | -44.2 | 175.5 | -53.4 | 173.6 | 0 | 0 | 0 | 110.3 | W262 Y265 M277 L280 A281 E284 E293 N294 P295 L296 L300 K301 A302 | W262-I298 HydrophobicContact CH2-CD1 3.71Å; W262-I298 HydrophobicContact CZ2-CD1 3.91Å; Y265-I298 HydrophobicContact CE2-CG2 4.08Å; M277-I298 HydrophobicContact CB-CG2 4.01Å; M277-I298 VanDerWaalsContact O-CG2 3.26Å; M277-I298 WeakPolarHBondContact O-CG2 3.35Å; L280-I298 HydrophobicContact CD2-CD1 4.5Å; L280-I298 HydrophobicContact CG-CD1 4.35Å; A281-I298 HydrophobicContact CB-CB 3.86Å; A281-I298 HydrophobicContact CB-CG2 3.88Å; E284-I298 HydrophobicContact CG-CD1 4.43Å; E293-I298 HydrophobicContact CB-CG1 4.42Å; N294-I298 PolarHBondContact O-N 3.05Å; P295-I298 WeakPolarHBondContact O-CB 3.32Å; P295-I298 PolarHBondContact O-N 3.05Å; P295-I298 VanDerWaalsContact O-N 3.07Å; L296-I298 VanDerWaalsContact C-N 3.34Å; I298-L300 PolarHBondContact O-N 2.79Å; I298-K301 PolarHBondContact O-N 2.98Å; I298-A302 PolarHBondContact O-N 3Å |
| 299 | H | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 172.2 | -68.3 | -65.7 | 0 | 0 | 0 | 112.4 | A281 D282 P295 K301 A302 V303 L321 F324 | A281-H299 WeakPolarHBondContact CB-CE1 3.46Å; A281-H299 WeakPolarHBondContact CB-NE2 3.45Å; D282-H299 IonicContact OD1-CE1 2.85Å; D282-H299 IonicContact OD1-NE2 2.66Å; P295-H299 PolarHBondContact O-CD2 3.41Å; P295-H299 PolarHBondContact O-N 3.18Å; H299-K301 VanDerWaalsContact C-N 3.3Å; H299-K301 PolarHBondContact O-N 3.33Å; H299-A302 VanDerWaalsContact O-CB 3.31Å; H299-A302 WeakPolarHBondContact O-CB 3.46Å; H299-A302 PolarHBondContact O-N 3.08Å; H299-A302 VanDerWaalsContact O-N 3.11Å; H299-V303 PolarHBondContact O-N 3.13Å; H299-L321 HydrophobicContact CB-CB 4.31Å; H299-L321 HydrophobicContact CB-CD1 3.81Å; H299-F324 AromaticContact CD2-CD2 3.99Å; H299-F324 AromaticContact CD2-CG 3.77Å; H299-F324 WeakPolarHBondContact NE2-CB 3.47Å; H299-F324 AromaticContact NE2-CD2 3.82Å; H299-F324 AromaticContact NE2-CG 3.8Å |
| 300 | L | 98.7 | Very high | 97.8 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -33.3 | 176.4 | -71.8 | 168.8 | 0 | 0 | 0 | 112.2 | L296 I298 G304 L321 | L296-L300 HydrophobicContact CD1-CD1 4.21Å; L296-L300 HydrophobicContact CD1-CG 4.27Å; L296-L300 HydrophobicContact CG-CD1 4.06Å; L296-L300 WeakPolarHBondContact O-CB 3.37Å; L296-L300 WeakPolarHBondContact O-CD1 3.4Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 2.83Å; I298-L300 PolarHBondContact O-N 2.79Å; L300-G304 PolarHBondContact O-N 3.48Å; L300-L321 HydrophobicContact CD2-CD1 4.45Å; L300-L321 HydrophobicContact CD2-CD2 4.17Å |
| 301 | K | 98.6 | Very high | 97.9 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.2 | -32.4 | 170.7 | -74.2 | 169.6 | -178.7 | 177.9 | 0 | 113 | Y265 M277 E293 Q297 I298 H299 G304 S305 | Y265-K301 WeakPolarHBondContact OH-CD 3.09Å; Y265-K301 PolarHBondContact OH-NZ 3.31Å; M277-K301 HydrophobicContact SD-CB 4.12Å; E293-K301 IonicContact OE1-NZ 2.75Å; E293-K301 PolarHBondContact OE1-NZ 2.79Å; E293-K301 WeakPolarHBondContact OE2-CE 3.29Å; E293-K301 IonicContact OE2-NZ 3.17Å; E293-K301 PolarHBondContact OE2-NZ 2.63Å; Q297-K301 WeakPolarHBondContact O-CB 3.18Å; Q297-K301 VanDerWaalsContact O-CG 3.28Å; Q297-K301 WeakPolarHBondContact O-CG 3.1Å; Q297-K301 PolarHBondContact O-N 3.17Å; I298-K301 PolarHBondContact O-N 2.98Å; H299-K301 VanDerWaalsContact C-N 3.3Å; H299-K301 PolarHBondContact O-N 3.33Å; K301-G304 PolarHBondContact O-N 3.28Å; K301-S305 WeakPolarHBondContact O-CB 3.39Å; K301-S305 PolarHBondContact O-N 3.1Å |
| 302 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P274 M277 I298 H299 S305 A306 P317 | P274-A302 WeakPolarHBondContact O-CB 3.39Å; M277-A302 HydrophobicContact CB-CB 3.9Å; I298-A302 PolarHBondContact O-N 3Å; H299-A302 VanDerWaalsContact O-CB 3.31Å; H299-A302 WeakPolarHBondContact O-CB 3.46Å; H299-A302 PolarHBondContact O-N 3.08Å; H299-A302 VanDerWaalsContact O-N 3.11Å; A302-S305 WeakPolarHBondContact O-CB 3.39Å; A302-S305 PolarHBondContact O-N 3.37Å; A302-A306 PolarHBondContact O-N 3.19Å; A302-A306 VanDerWaalsContact O-N 3.09Å; A302-P317 HydrophobicContact CB-CB 4.32Å |
| 303 | V | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 172.8 | 171.2 | 0 | 0 | 0 | 0 | 111 | H299 S305 A306 Q307 P317 Y318 L321 | H299-V303 PolarHBondContact O-N 3.13Å; V303-S305 VanDerWaalsContact C-N 3.28Å; V303-S305 PolarHBondContact O-N 3.14Å; V303-A306 WeakPolarHBondContact O-CB 3.42Å; V303-A306 PolarHBondContact O-N 3.1Å; V303-A306 VanDerWaalsContact O-N 3.17Å; V303-Q307 VanDerWaalsContact CG1-NE2 3.35Å; V303-Q307 WeakPolarHBondContact O-CG 3.44Å; V303-Q307 PolarHBondContact O-N 3.43Å; V303-P317 HydrophobicContact CG2-CB 3.96Å; V303-P317 WeakPolarHBondContact CG2-O 3.46Å; V303-Y318 HydrophobicContact CG1-CD1 4.37Å; V303-Y318 HydrophobicContact CG1-CE1 3.63Å; V303-Y318 HydrophobicContact CG1-CE2 4.32Å; V303-Y318 HydrophobicContact CG2-CD1 4.07Å; V303-Y318 HydrophobicContact CG2-CE1 4.16Å; V303-Y318 HydrophobicContact CG2-CG 4.37Å; V303-L321 HydrophobicContact CG2-CD2 4.21Å |
| 304 | G | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 47 Ų | 47 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -32.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L300 K301 K308 | L300-G304 PolarHBondContact O-N 3.48Å; K301-G304 PolarHBondContact O-N 3.28Å; G304-K308 WeakPolarHBondContact O-CB 3.33Å; G304-K308 PolarHBondContact O-N 3.44Å |
| 305 | S | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69 | -45 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | D271 K301 A302 V303 Q307 K308 F309 | D271-S305 WeakPolarHBondContact O-CB 3.32Å; D271-S305 PolarHBondContact O-OG 2.89Å; K301-S305 WeakPolarHBondContact O-CB 3.39Å; K301-S305 PolarHBondContact O-N 3.1Å; A302-S305 WeakPolarHBondContact O-CB 3.39Å; A302-S305 PolarHBondContact O-N 3.37Å; V303-S305 VanDerWaalsContact C-N 3.28Å; V303-S305 PolarHBondContact O-N 3.14Å; S305-Q307 VanDerWaalsContact C-N 3.32Å; S305-Q307 PolarHBondContact O-N 3.33Å; S305-K308 PolarHBondContact O-N 2.8Å; S305-F309 WeakPolarHBondContact O-CB 3.25Å; S305-F309 PolarHBondContact O-N 3.09Å |
| 306 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P274 A302 V303 Y310 N311 N312 H314 P317 | P274-A306 HydrophobicContact CG-CB 4.3Å; A302-A306 PolarHBondContact O-N 3.19Å; A302-A306 VanDerWaalsContact O-N 3.09Å; V303-A306 WeakPolarHBondContact O-CB 3.42Å; V303-A306 PolarHBondContact O-N 3.1Å; V303-A306 VanDerWaalsContact O-N 3.17Å; A306-Y310 CarbonylContact O-C 3.38Å; A306-Y310 WeakPolarHBondContact O-CA 3.46Å; A306-Y310 WeakPolarHBondContact O-CB 3.35Å; A306-Y310 PolarHBondContact O-N 3.01Å; A306-N311 PolarHBondContact O-N 2.7Å; A306-N312 PolarHBondContact O-N 3.18Å; A306-H314 HydrophobicContact CB-CB 3.99Å; A306-P317 HydrophobicContact CB-CG 4.16Å |
| 307 | Q | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 41.7 Ų | 41.7 | 47% | 0.472 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.5 | -69.4 | 172.1 | 2.7 | 0 | 0 | 112.8 | V303 S305 N312 Y318 | V303-Q307 VanDerWaalsContact CG1-NE2 3.35Å; V303-Q307 WeakPolarHBondContact O-CG 3.44Å; V303-Q307 PolarHBondContact O-N 3.43Å; S305-Q307 VanDerWaalsContact C-N 3.32Å; S305-Q307 PolarHBondContact O-N 3.33Å; Q307-N312 HydrophobicContact CB-CB 4.47Å; Q307-N312 HydrophobicContact CG-CB 3.94Å; Q307-N312 WeakPolarHBondContact CG-OD1 3.47Å; Q307-Y318 PolarHBondContact NE2-OH 2.64Å |
| 308 | K | 98.5 | Very high | 98.6 | Very high | 144 Ų | 144 | 37.7 Ų | 37.7 | 63% | 0.626 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -77.5 | -35.1 | -171.9 | 178.8 | -178.6 | 169.9 | -164 | 0 | 114.4 | G304 S305 | G304-K308 WeakPolarHBondContact O-CB 3.33Å; G304-K308 PolarHBondContact O-N 3.44Å; S305-K308 PolarHBondContact O-N 2.8Å |
| 309 | F | 98.5 | Very high | 98.6 | Very high | 75 Ų | 75 | 38.5 Ų | 38.5 | 33% | 0.329 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -115.8 | -19 | -170.4 | -62.7 | -68.8 | 0 | 0 | 0 | 114.1 | D271 R272 S305 | D271-F309 WeakPolarHBondContact O-CD2 3.36Å; D271-F309 WeakPolarHBondContact O-CE2 3.36Å; R272-F309 HydrophobicContact CG-CB 4.48Å; R272-F309 HydrophobicContact CG-CD1 3.91Å; R272-F309 HydrophobicContact CG-CD2 3.76Å; R272-F309 HydrophobicContact CG-CE1 3.91Å; R272-F309 HydrophobicContact CG-CE2 3.78Å; R272-F309 HydrophobicContact CG-CG 3.81Å; R272-F309 HydrophobicContact CG-CZ 3.82Å; S305-F309 WeakPolarHBondContact O-CB 3.25Å; S305-F309 PolarHBondContact O-N 3.09Å |
| 310 | Y | 98.6 | Very high | 98.6 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -131 | 30.7 | -172 | -57.7 | -65.3 | 0 | 0 | 0 | 112.6 | S223 M225 R272 P274 A306 N312 E313 H314 | S223-Y310 WeakPolarHBondContact O-CD1 3.09Å; M225-Y310 HydrophobicContact CG-CE1 4.18Å; M225-Y310 HydrophobicContact CG-CE2 4.23Å; R272-Y310 WeakPolarHBondContact O-CE2 3.37Å; R272-Y310 PolarHBondContact O-OH 2.94Å; P274-Y310 HydrophobicContact CG-CD2 4.07Å; P274-Y310 HydrophobicContact CG-CE2 4.22Å; A306-Y310 CarbonylContact O-C 3.38Å; A306-Y310 WeakPolarHBondContact O-CA 3.46Å; A306-Y310 WeakPolarHBondContact O-CB 3.35Å; A306-Y310 PolarHBondContact O-N 3.01Å; Y310-N312 PolarHBondContact O-N 2.77Å; Y310-E313 WeakPolarHBondContact O-CB 3.44Å; Y310-E313 PolarHBondContact O-N 2.81Å; Y310-H314 WeakPolarHBondContact CB-NE2 3.25Å; Y310-H314 AromaticContact CD1-NE2 3.78Å; Y310-H314 AromaticContact CD2-CE1 3.62Å; Y310-H314 AromaticContact CD2-NE2 3.93Å; Y310-H314 AromaticContact CG-CE1 3.57Å; Y310-H314 AromaticContact CG-NE2 3.39Å |
| 311 | N | 98.4 | Very high | 98.6 | Very high | 122 Ų | 122 | 37.7 Ų | 37.7 | 65% | 0.652 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 19.5 | 175.2 | -56.7 | -55.1 | 0 | 0 | 0 | 115.3 | S223 A306 E313 | S223-N311 PolarHBondContact OG-ND2 2.82Å; A306-N311 PolarHBondContact O-N 2.7Å; N311-E313 VanDerWaalsContact C-N 3.35Å; N311-E313 HydrophobicContact CB-CG 3.97Å |
| 312 | N | 98.4 | Very high | 98.6 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 24% | 0.241 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 36.9 | -166.9 | -157.6 | 48.2 | 0 | 0 | 0 | 114.9 | A306 Q307 Y310 Y318 V344 | A306-N312 PolarHBondContact O-N 3.18Å; Q307-N312 HydrophobicContact CB-CB 4.47Å; Q307-N312 HydrophobicContact CG-CB 3.94Å; Q307-N312 WeakPolarHBondContact CG-OD1 3.47Å; Y310-N312 PolarHBondContact O-N 2.77Å; N312-Y318 PolarHBondContact ND2-OH 3.42Å; N312-Y318 WeakPolarHBondContact OD1-CE2 3.46Å; N312-Y318 PolarHBondContact OD1-OH 3.37Å; N312-Y318 VanDerWaalsContact OD1-OH 3.04Å; N312-V344 WeakPolarHBondContact O-CG1 3.45Å; N312-V344 WeakPolarHBondContact O-CG2 3.22Å |
| 313 | E | 98.6 | Very high | 98.6 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | trans | -102.9 | 11.2 | -175.6 | -61.2 | -170.5 | 120 | 0 | 0 | 114 | K221 S223 Y310 N311 Y348 | K221-E313 WeakPolarHBondContact CD-OE1 3.34Å; K221-E313 WeakPolarHBondContact CE-OE1 3.21Å; K221-E313 IonicContact NZ-OE1 3.91Å; K221-E313 PolarHBondContact NZ-OE1 3.24Å; S223-E313 VanDerWaalsContact CB-OE2 3.22Å; S223-E313 WeakPolarHBondContact CB-OE2 3.44Å; S223-E313 PolarHBondContact OG-OE2 2.82Å; Y310-E313 WeakPolarHBondContact O-CB 3.44Å; Y310-E313 PolarHBondContact O-N 2.81Å; N311-E313 VanDerWaalsContact C-N 3.35Å; N311-E313 HydrophobicContact CB-CG 3.97Å; E313-Y348 PolarHBondContact O-OH 3.44Å | ||
| 314 | H | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -101.4 | 143.8 | 176.8 | -69 | -160.3 | 0 | 0 | 0 | 111.1 | E176 S223 A306 Y310 P317 | E176-H314 WeakPolarHBondContact OE1-CB 3.33Å; S223-H314 PolarHBondContact O-NE2 3.06Å; A306-H314 HydrophobicContact CB-CB 3.99Å; Y310-H314 WeakPolarHBondContact CB-NE2 3.25Å; Y310-H314 AromaticContact CD1-NE2 3.78Å; Y310-H314 AromaticContact CD2-CE1 3.62Å; Y310-H314 AromaticContact CD2-NE2 3.93Å; Y310-H314 AromaticContact CG-CE1 3.57Å; Y310-H314 AromaticContact CG-NE2 3.39Å; H314-P317 HydrophobicContact CB-CG 4.05Å | ||
| 315 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -101.5 | -45.7 | -173.4 | -47.1 | -62.9 | 0 | 0 | 0 | 112.2 | E176 Y318 M319 A341 V344 M345 I357 F361 | E176-I315 VanDerWaalsContact CD-N 3.29Å; E176-I315 PolarHBondContact OE1-N 2.86Å; E176-I315 PolarHBondContact OE2-N 3.17Å; I315-Y318 WeakPolarHBondContact O-CB 3.4Å; I315-Y318 PolarHBondContact O-N 2.87Å; I315-Y318 VanDerWaalsContact O-N 3.09Å; I315-M319 HydrophobicContact CG2-CE 3.87Å; I315-M319 HydrophobicContact CG2-CG 4.17Å; I315-M319 PolarHBondContact O-N 3.28Å; I315-A341 HydrophobicContact CG2-CB 4.15Å; I315-V344 HydrophobicContact CD1-CB 3.73Å; I315-V344 HydrophobicContact CD1-CG1 3.52Å; I315-M345 HydrophobicContact CD1-CB 4.11Å; I315-M345 HydrophobicContact CD1-CE 3.97Å; I315-M345 HydrophobicContact CG1-CE 3.81Å; I315-I357 HydrophobicContact CB-CD1 4.21Å; I315-I357 HydrophobicContact CG2-CD1 3.85Å; I315-I357 HydrophobicContact CG2-CG1 4.27Å; I315-F361 HydrophobicContact CG2-CE2 4Å; I315-F361 HydrophobicContact CG2-CZ 4Å |
| 316 | Y | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -31.9 | -175.2 | -78.1 | -57.8 | 0 | 0 | 0 | 115 | E176 W217 M275 Y318 M319 Y320 I357 E360 | E176-Y316 HydrophobicContact CB-CD2 3.7Å; E176-Y316 HydrophobicContact CB-CE2 3.92Å; E176-Y316 HydrophobicContact CG-CD2 3.95Å; E176-Y316 WeakPolarHBondContact OE1-CB 3.42Å; E176-Y316 PolarHBondContact OE1-N 2.9Å; W217-Y316 HydrophobicContact CH2-CE2 4Å; W217-Y316 HydrophobicContact CZ2-CD2 4.31Å; W217-Y316 AromaticContact CZ2-CE2 3.7Å; W217-Y316 HydrophobicContact CZ2-CE2 3.7Å; M275-Y316 HydrophobicContact SD-CD2 4.18Å; Y316-Y318 PolarHBondContact O-N 2.9Å; Y316-M319 HydrophobicContact CD1-CB 4.13Å; Y316-M319 HydrophobicContact CD1-CG 4.21Å; Y316-M319 PolarHBondContact O-N 2.81Å; Y316-Y320 WeakPolarHBondContact O-CD2 3.39Å; Y316-Y320 PolarHBondContact O-N 3.43Å; Y316-I357 HydrophobicContact CE1-CD1 4.31Å; Y316-E360 HydrophobicContact CE1-CG 4.14Å |
| 317 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.7 | -34.4 | 174.7 | -28.8 | 39.1 | 0 | 0 | 0 | 113.3 | E176 P274 A302 V303 A306 H314 L321 | E176-P317 WeakPolarHBondContact OE1-CD 3.44Å; P274-P317 HydrophobicContact CB-CB 4.34Å; P274-P317 HydrophobicContact CB-CG 3.42Å; P274-P317 VanDerWaalsContact CB-CG 3.42Å; P274-P317 HydrophobicContact CG-CG 4.49Å; A302-P317 HydrophobicContact CB-CB 4.32Å; V303-P317 HydrophobicContact CG2-CB 3.96Å; V303-P317 WeakPolarHBondContact CG2-O 3.46Å; A306-P317 HydrophobicContact CB-CG 4.16Å; H314-P317 HydrophobicContact CB-CG 4.05Å; P317-L321 PolarHBondContact O-N 3.02Å |
| 318 | Y | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 41 Ų | 41 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -78.3 | -36.3 | 173.8 | -68.6 | -78.5 | 0 | 0 | 0 | 112.4 | V303 Q307 N312 I315 Y316 L321 A322 E340 V344 | V303-Y318 HydrophobicContact CG1-CD1 4.37Å; V303-Y318 HydrophobicContact CG1-CE1 3.63Å; V303-Y318 HydrophobicContact CG1-CE2 4.32Å; V303-Y318 HydrophobicContact CG2-CD1 4.07Å; V303-Y318 HydrophobicContact CG2-CE1 4.16Å; V303-Y318 HydrophobicContact CG2-CG 4.37Å; Q307-Y318 PolarHBondContact NE2-OH 2.64Å; N312-Y318 PolarHBondContact ND2-OH 3.42Å; N312-Y318 WeakPolarHBondContact OD1-CE2 3.46Å; N312-Y318 PolarHBondContact OD1-OH 3.37Å; N312-Y318 VanDerWaalsContact OD1-OH 3.04Å; I315-Y318 WeakPolarHBondContact O-CB 3.4Å; I315-Y318 PolarHBondContact O-N 2.87Å; I315-Y318 VanDerWaalsContact O-N 3.09Å; Y316-Y318 PolarHBondContact O-N 2.9Å; Y318-L321 PolarHBondContact O-N 3.24Å; Y318-A322 WeakPolarHBondContact O-CB 3Å; Y318-A322 PolarHBondContact O-N 3.41Å; Y318-E340 HydrophobicContact CD1-CB 3.58Å; Y318-E340 HydrophobicContact CE1-CB 3.56Å; Y318-E340 HydrophobicContact CE1-CG 4.4Å; Y318-E340 VanDerWaalsContact CE1-OE2 3.3Å; Y318-E340 WeakPolarHBondContact CE1-OE2 3.17Å; Y318-E340 HydrophobicContact CG-CB 4.38Å; Y318-V344 HydrophobicContact CD2-CG2 4.26Å; Y318-V344 HydrophobicContact CE2-CG2 3.81Å |
| 319 | M | 98.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 174.8 | -58.4 | -56.1 | -154.6 | 0 | 0 | 112.2 | I315 Y316 A322 G323 A341 I357 E360 F361 I364 | I315-M319 HydrophobicContact CG2-CE 3.87Å; I315-M319 HydrophobicContact CG2-CG 4.17Å; I315-M319 PolarHBondContact O-N 3.28Å; Y316-M319 HydrophobicContact CD1-CB 4.13Å; Y316-M319 HydrophobicContact CD1-CG 4.21Å; Y316-M319 PolarHBondContact O-N 2.81Å; M319-A322 PolarHBondContact O-N 3.47Å; M319-G323 PolarHBondContact O-N 3.4Å; M319-A341 HydrophobicContact CE-CB 4.2Å; M319-A341 HydrophobicContact SD-CB 3.83Å; M319-I357 HydrophobicContact CE-CD1 4.33Å; M319-E360 HydrophobicContact CE-CB 4.37Å; M319-F361 HydrophobicContact CE-CD1 3.91Å; M319-F361 HydrophobicContact CE-CD2 4.07Å; M319-F361 HydrophobicContact CE-CE1 3.6Å; M319-F361 HydrophobicContact CE-CE2 3.76Å; M319-F361 HydrophobicContact CE-CG 4.13Å; M319-F361 HydrophobicContact CE-CZ 3.52Å; M319-I364 HydrophobicContact CE-CD1 3.68Å; M319-I364 HydrophobicContact SD-CD1 3.61Å |
| 320 | Y | 98.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 173.2 | -82.4 | -63.2 | 0 | 0 | 0 | 111.4 | M275 D282 Y316 A322 G323 F324 | M275-Y320 HydrophobicContact CB-CE2 4.36Å; M275-Y320 HydrophobicContact CG-CE2 4.47Å; D282-Y320 VanDerWaalsContact OD2-CD1 3.25Å; D282-Y320 WeakPolarHBondContact OD2-CD1 3.46Å; D282-Y320 VanDerWaalsContact OD2-CE1 3.26Å; D282-Y320 WeakPolarHBondContact OD2-CE1 3.36Å; Y316-Y320 WeakPolarHBondContact O-CD2 3.39Å; Y316-Y320 PolarHBondContact O-N 3.43Å; Y320-A322 PolarHBondContact O-N 3.11Å; Y320-G323 PolarHBondContact O-N 3.47Å; Y320-F324 PolarHBondContact O-N 2.8Å |
| 321 | L | 98.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 177.1 | -179 | 62.9 | 0 | 0 | 0 | 111.9 | L296 H299 L300 V303 P317 Y318 F324 H325 A337 | L296-L321 HydrophobicContact CD1-CD1 3.57Å; H299-L321 HydrophobicContact CB-CB 4.31Å; H299-L321 HydrophobicContact CB-CD1 3.81Å; L300-L321 HydrophobicContact CD2-CD1 4.45Å; L300-L321 HydrophobicContact CD2-CD2 4.17Å; V303-L321 HydrophobicContact CG2-CD2 4.21Å; P317-L321 PolarHBondContact O-N 3.02Å; Y318-L321 PolarHBondContact O-N 3.24Å; L321-F324 PolarHBondContact O-N 3Å; L321-H325 WeakPolarHBondContact CD1-NE2 3.45Å; L321-H325 PolarHBondContact O-CD2 3.37Å; L321-H325 PolarHBondContact O-N 2.97Å; L321-H325 VanDerWaalsContact O-N 3.08Å; L321-A337 HydrophobicContact CB-CB 4.4Å; L321-A337 HydrophobicContact CD2-CB 4.26Å; L321-A337 HydrophobicContact CG-CB 4.14Å |
| 322 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y318 M319 Y320 H325 Y326 A337 W338 | Y318-A322 WeakPolarHBondContact O-CB 3Å; Y318-A322 PolarHBondContact O-N 3.41Å; M319-A322 PolarHBondContact O-N 3.47Å; Y320-A322 PolarHBondContact O-N 3.11Å; A322-H325 PolarHBondContact O-N 2.83Å; A322-Y326 VanDerWaalsContact O-CB 3.31Å; A322-Y326 WeakPolarHBondContact O-CB 3.49Å; A322-Y326 PolarHBondContact O-N 3.06Å; A322-A337 HydrophobicContact CB-CB 3.64Å; A322-W338 VanDerWaalsContact CB-CD1 3.4Å; A322-W338 HydrophobicContact CB-CD2 3.96Å; A322-W338 HydrophobicContact CB-CG 3.79Å; A322-W338 HydrophobicContact CB-CZ2 4.38Å; A322-W338 VanDerWaalsContact CB-NE1 3.32Å |
| 323 | G | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M319 Y320 H325 Y326 R327 | M319-G323 PolarHBondContact O-N 3.4Å; Y320-G323 PolarHBondContact O-N 3.47Å; G323-H325 PolarHBondContact O-N 3.11Å; G323-Y326 WeakPolarHBondContact O-CB 3.38Å; G323-Y326 PolarHBondContact O-N 2.66Å; G323-R327 WeakPolarHBondContact O-CG 3.5Å; G323-R327 PolarHBondContact O-N 2.62Å |
| 324 | F | 98.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56 | -49.8 | 172.6 | 171.7 | -93.3 | 0 | 0 | 0 | 112.2 | D285 P295 L296 H299 Y320 L321 Y326 R327 H328 | D285-F324 VanDerWaalsContact OD1-CE2 3.25Å; D285-F324 WeakPolarHBondContact OD1-CE2 3.36Å; P295-F324 HydrophobicContact CB-CD2 4.24Å; P295-F324 HydrophobicContact CB-CE2 3.89Å; L296-F324 HydrophobicContact CB-CE1 3.8Å; L296-F324 HydrophobicContact CB-CZ 3.96Å; L296-F324 HydrophobicContact CD1-CD1 4.05Å; L296-F324 HydrophobicContact CD1-CE1 3.87Å; L296-F324 HydrophobicContact CD2-CE1 4.35Å; L296-F324 HydrophobicContact CG-CE1 4.21Å; H299-F324 AromaticContact CD2-CD2 3.99Å; H299-F324 AromaticContact CD2-CG 3.77Å; H299-F324 WeakPolarHBondContact NE2-CB 3.47Å; H299-F324 AromaticContact NE2-CD2 3.82Å; H299-F324 AromaticContact NE2-CG 3.8Å; Y320-F324 PolarHBondContact O-N 2.8Å; L321-F324 PolarHBondContact O-N 3Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; F324-Y326 PolarHBondContact O-N 2.88Å; F324-R327 PolarHBondContact O-N 3.22Å; F324-H328 AromaticContact CD2-CE1 3.86Å; F324-H328 AromaticContact CD2-ND1 3.78Å; F324-H328 AromaticContact CE2-CE1 3.42Å; F324-H328 VanDerWaalsContact CE2-CE1 3.42Å; F324-H328 WeakPolarHBondContact CE2-CE1 3.42Å; F324-H328 AromaticContact CE2-ND1 3.58Å; F324-H328 AromaticContact CZ-CE1 3.91Å; F324-H328 AromaticContact CZ-ND1 3.8Å; F324-H328 PolarHBondContact O-N 3.5Å; F324-H328 VanDerWaalsContact O-N 3.11Å; F324-H328 PolarHBondContact O-ND1 3.5Å |
| 325 | H | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 178.2 | -72.7 | -60.3 | 0 | 0 | 0 | 112.6 | L321 A322 G323 H328 R329 N330 E333 A334 | L321-H325 WeakPolarHBondContact CD1-NE2 3.45Å; L321-H325 PolarHBondContact O-CD2 3.37Å; L321-H325 PolarHBondContact O-N 2.97Å; L321-H325 VanDerWaalsContact O-N 3.08Å; A322-H325 PolarHBondContact O-N 2.83Å; G323-H325 PolarHBondContact O-N 3.11Å; H325-H328 CarbonylContact O-C 3.55Å; H325-H328 PolarHBondContact O-N 3.23Å; H325-R329 PolarHBondContact O-N 2.92Å; H325-N330 HydrophobicContact CB-CB 4Å; H325-N330 PolarHBondContact O-N 3.14Å; H325-E333 HydrophobicContact CB-CB 4.3Å; H325-A334 HydrophobicContact CB-CB 3.82Å |
| 326 | Y | 96.7 | Very high | 97.4 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 25% | 0.247 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 175 | 169.8 | -109.1 | 0 | 0 | 0 | 112.7 | A322 G323 F324 H328 R329 W338 V368 L372 | A322-Y326 VanDerWaalsContact O-CB 3.31Å; A322-Y326 WeakPolarHBondContact O-CB 3.49Å; A322-Y326 PolarHBondContact O-N 3.06Å; G323-Y326 WeakPolarHBondContact O-CB 3.38Å; G323-Y326 PolarHBondContact O-N 2.66Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; F324-Y326 PolarHBondContact O-N 2.88Å; Y326-H328 PolarHBondContact O-N 2.96Å; Y326-R329 PolarHBondContact O-N 3.11Å; Y326-R329 PolarHBondContact O-NH1 2.93Å; Y326-R329 VanDerWaalsContact O-NH1 3.1Å; Y326-W338 HydrophobicContact CD2-CH2 4.11Å; Y326-W338 HydrophobicContact CG-CH2 4.25Å; Y326-V368 HydrophobicContact CD1-CG1 4.32Å; Y326-V368 HydrophobicContact CD2-CG1 3.89Å; Y326-V368 HydrophobicContact CE1-CG1 4.11Å; Y326-V368 HydrophobicContact CE2-CG1 3.67Å; Y326-V368 HydrophobicContact CG-CG1 4.21Å; Y326-L372 HydrophobicContact CD2-CB 4.42Å; Y326-L372 HydrophobicContact CD2-CD1 3.86Å; Y326-L372 HydrophobicContact CD2-CD2 4.11Å; Y326-L372 HydrophobicContact CD2-CG 4.35Å; Y326-L372 HydrophobicContact CE2-CB 4.21Å; Y326-L372 HydrophobicContact CE2-CD1 4.02Å |
| 327 | R | 95.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 38 Ų | 38 | 38% | 0.377 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -55.7 | -42.7 | 173.4 | -69.6 | -172.3 | -56.3 | -106.7 | 4 | 110.7 | D282 D285 G323 F324 R329 | D282-R327 IonicContact OD1-CZ 2.64Å; D282-R327 IonicContact OD1-NH1 2.99Å; D282-R327 PolarHBondContact OD1-NH1 3.48Å; D282-R327 IonicContact OD1-NH2 2.73Å; D282-R327 PolarHBondContact OD1-NH2 3.11Å; D282-R327 IonicContact OD2-NH1 3.45Å; D285-R327 IonicContact OD2-CZ 2.73Å; D285-R327 IonicContact OD2-NE 4Å; D285-R327 PolarHBondContact OD2-NE 2.89Å; D285-R327 IonicContact OD2-NH2 2.81Å; D285-R327 PolarHBondContact OD2-NH2 3.45Å; G323-R327 WeakPolarHBondContact O-CG 3.5Å; G323-R327 PolarHBondContact O-N 2.62Å; F324-R327 PolarHBondContact O-N 3.22Å; R327-R329 VanDerWaalsContact C-N 3.3Å; R327-R329 PolarHBondContact O-N 2.88Å |
| 328 | H | 94.8 | Very high | 97.4 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 4.3 | 177.7 | -70.7 | 81.8 | 0 | 0 | 0 | 115.7 | D285 F324 H325 Y326 N330 | D285-H328 IonicContact OD1-CE1 3.15Å; D285-H328 PolarHBondContact OD1-CE1 3.25Å; D285-H328 IonicContact OD1-NE2 3.85Å; D285-H328 IonicContact OD2-CE1 3.59Å; F324-H328 AromaticContact CD2-CE1 3.86Å; F324-H328 AromaticContact CD2-ND1 3.78Å; F324-H328 AromaticContact CE2-CE1 3.42Å; F324-H328 VanDerWaalsContact CE2-CE1 3.42Å; F324-H328 WeakPolarHBondContact CE2-CE1 3.42Å; F324-H328 AromaticContact CE2-ND1 3.58Å; F324-H328 AromaticContact CZ-CE1 3.91Å; F324-H328 AromaticContact CZ-ND1 3.8Å; F324-H328 PolarHBondContact O-N 3.5Å; F324-H328 VanDerWaalsContact O-N 3.11Å; F324-H328 PolarHBondContact O-ND1 3.5Å; H325-H328 CarbonylContact O-C 3.55Å; H325-H328 PolarHBondContact O-N 3.23Å; Y326-H328 PolarHBondContact O-N 2.96Å; H328-N330 VanDerWaalsContact CB-ND2 3.29Å; H328-N330 WeakPolarHBondContact CB-ND2 3.37Å; H328-N330 PolarHBondContact O-N 3.34Å; H328-N330 VanDerWaalsContact O-N 3.12Å |
| 329 | R | 92.5 | Very high | 97.4 | Very high | 111 Ų | 111 | 38 Ų | 38 | 42% | 0.419 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 25.4 | -175.9 | -63.7 | -62.6 | -171.7 | -88.8 | 9.4 | 114.9 | H325 Y326 R327 V331 E375 | H325-R329 PolarHBondContact O-N 2.92Å; Y326-R329 PolarHBondContact O-N 3.11Å; Y326-R329 PolarHBondContact O-NH1 2.93Å; Y326-R329 VanDerWaalsContact O-NH1 3.1Å; R327-R329 VanDerWaalsContact C-N 3.3Å; R327-R329 PolarHBondContact O-N 2.88Å; R329-V331 VanDerWaalsContact C-N 3.26Å; R329-V331 PolarHBondContact O-N 3.3Å; R329-E375 IonicContact CZ-OE2 2.84Å; R329-E375 IonicContact NE-OE2 2.76Å; R329-E375 PolarHBondContact NE-OE2 2.83Å; R329-E375 IonicContact NH2-OE1 3.92Å; R329-E375 PolarHBondContact NH2-OE1 3.09Å; R329-E375 IonicContact NH2-OE2 2.65Å; R329-E375 PolarHBondContact NH2-OE2 2.87Å |
| 330 | N | 94.9 | Very high | 97.4 | Very high | 79 Ų | 79 | 40 Ų | 40 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | trans | -78.9 | 70.1 | 172.4 | -72.7 | -51.7 | 0 | 0 | 0 | 110.6 | H325 H328 Q332 E333 A334 | H325-N330 HydrophobicContact CB-CB 4Å; H325-N330 PolarHBondContact O-N 3.14Å; H328-N330 VanDerWaalsContact CB-ND2 3.29Å; H328-N330 WeakPolarHBondContact CB-ND2 3.37Å; H328-N330 PolarHBondContact O-N 3.34Å; H328-N330 VanDerWaalsContact O-N 3.12Å; N330-Q332 VanDerWaalsContact C-N 3.33Å; N330-Q332 PolarHBondContact O-N 3.14Å; N330-E333 PolarHBondContact O-N 2.68Å; N330-A334 PolarHBondContact O-N 2.83Å | ||
| 331 | V | 95.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 9% | 0.085 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52 | -44.6 | -169.2 | -175 | 0 | 0 | 0 | 0 | 113.5 | R329 A334 L335 L372 A405 | R329-V331 VanDerWaalsContact C-N 3.26Å; R329-V331 PolarHBondContact O-N 3.3Å; V331-A334 PolarHBondContact O-N 3.41Å; V331-L335 HydrophobicContact CG1-CD1 3.92Å; V331-L335 HydrophobicContact CG1-CG 4.41Å; V331-L335 WeakPolarHBondContact O-CB 3.42Å; V331-L335 WeakPolarHBondContact O-CG 3.36Å; V331-L335 PolarHBondContact O-N 3.47Å; V331-L372 HydrophobicContact CB-CD2 4.46Å; V331-L372 HydrophobicContact CG1-CD2 4Å; V331-L372 HydrophobicContact CG1-CG 4.2Å; V331-L372 HydrophobicContact CG2-CD1 4.03Å; V331-L372 HydrophobicContact CG2-CD2 4.43Å; V331-L372 HydrophobicContact CG2-CG 4.17Å; V331-A405 HydrophobicContact CB-CB 3.62Å; V331-A405 HydrophobicContact CG1-CB 3.57Å; V331-A405 HydrophobicContact CG2-CB 4.27Å |
| 332 | Q | 96.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.8 | -51 | -178 | -173 | 177 | 38.7 | 0 | 0 | 112 | N330 L335 K336 D408 C411 | N330-Q332 VanDerWaalsContact C-N 3.33Å; N330-Q332 PolarHBondContact O-N 3.14Å; Q332-L335 PolarHBondContact O-N 3.33Å; Q332-K336 VanDerWaalsContact O-CB 3.29Å; Q332-K336 WeakPolarHBondContact O-CB 3.47Å; Q332-K336 PolarHBondContact O-N 3.31Å; Q332-D408 PolarHBondContact NE2-OD2 3.03Å; Q332-C411 VanDerWaalsContact CA-SG 3.54Å; Q332-C411 VanDerWaalsContact CB-SG 3.53Å |
| 333 | E | 97.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 39.4 Ų | 39.4 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.9 | -29.9 | -178.8 | -68.5 | -67.7 | 135.7 | 0 | 0 | 112.2 | H325 N330 K336 A337 | H325-E333 HydrophobicContact CB-CB 4.3Å; N330-E333 PolarHBondContact O-N 2.68Å; E333-K336 PolarHBondContact O-N 2.84Å; E333-K336 IonicContact OE1-NZ 2.85Å; E333-K336 PolarHBondContact OE1-NZ 3.2Å; E333-K336 IonicContact OE2-NZ 2.65Å; E333-K336 PolarHBondContact OE2-NZ 3.44Å; E333-A337 WeakPolarHBondContact O-CB 3.33Å; E333-A337 PolarHBondContact O-N 3.04Å |
| 334 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -49.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H325 N330 V331 K336 A337 W338 L372 | H325-A334 HydrophobicContact CB-CB 3.82Å; N330-A334 PolarHBondContact O-N 2.83Å; V331-A334 PolarHBondContact O-N 3.41Å; A334-K336 VanDerWaalsContact C-N 3.29Å; A334-K336 PolarHBondContact O-N 2.77Å; A334-A337 PolarHBondContact O-N 2.96Å; A334-W338 HydrophobicContact CB-CE3 4.27Å; A334-W338 HydrophobicContact CB-CH2 4.12Å; A334-W338 HydrophobicContact CB-CZ3 3.83Å; A334-W338 VanDerWaalsContact O-CE3 3.24Å; A334-W338 PolarHBondContact O-N 2.72Å; A334-L372 HydrophobicContact CB-CD2 4.48Å |
| 335 | L | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 175.2 | -72.8 | 171.3 | 0 | 0 | 0 | 111.9 | V331 Q332 W338 A339 I369 L373 C411 H414 L415 | V331-L335 HydrophobicContact CG1-CD1 3.92Å; V331-L335 HydrophobicContact CG1-CG 4.41Å; V331-L335 WeakPolarHBondContact O-CB 3.42Å; V331-L335 WeakPolarHBondContact O-CG 3.36Å; V331-L335 PolarHBondContact O-N 3.47Å; Q332-L335 PolarHBondContact O-N 3.33Å; L335-W338 HydrophobicContact CD2-CE3 4.36Å; L335-A339 VanDerWaalsContact O-CB 3.23Å; L335-A339 WeakPolarHBondContact O-CB 3.31Å; L335-A339 PolarHBondContact O-N 3.46Å; L335-I369 HydrophobicContact CD2-CD1 4.18Å; L335-I369 HydrophobicContact CD2-CG1 4.19Å; L335-I369 HydrophobicContact CD2-CG2 4.17Å; L335-L373 HydrophobicContact CD1-CD2 4.38Å; L335-C411 HydrophobicContact CD1-CB 3.94Å; L335-H414 HydrophobicContact CB-CB 3.92Å; L335-L415 HydrophobicContact CD2-CD1 4.48Å |
| 336 | K | 98.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.4 | -49.9 | 175.9 | 176.9 | 177.3 | 155.3 | -147.6 | 0 | 112.4 | Q332 E333 A334 W338 A339 E340 | Q332-K336 VanDerWaalsContact O-CB 3.29Å; Q332-K336 WeakPolarHBondContact O-CB 3.47Å; Q332-K336 PolarHBondContact O-N 3.31Å; E333-K336 PolarHBondContact O-N 2.84Å; E333-K336 IonicContact OE1-NZ 2.85Å; E333-K336 PolarHBondContact OE1-NZ 3.2Å; E333-K336 IonicContact OE2-NZ 2.65Å; E333-K336 PolarHBondContact OE2-NZ 3.44Å; A334-K336 VanDerWaalsContact C-N 3.29Å; A334-K336 PolarHBondContact O-N 2.77Å; K336-W338 PolarHBondContact O-N 3.34Å; K336-A339 CarbonylContact O-C 3.46Å; K336-A339 WeakPolarHBondContact O-CA 3.26Å; K336-A339 WeakPolarHBondContact O-CB 3.38Å; K336-A339 PolarHBondContact O-N 2.93Å; K336-A339 VanDerWaalsContact O-N 3.13Å; K336-E340 WeakPolarHBondContact CG-OE1 3.41Å; K336-E340 WeakPolarHBondContact O-CG 3.4Å; K336-E340 PolarHBondContact O-N 3.06Å |
| 337 | A | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L321 A322 E333 A334 E340 A341 | L321-A337 HydrophobicContact CB-CB 4.4Å; L321-A337 HydrophobicContact CD2-CB 4.26Å; L321-A337 HydrophobicContact CG-CB 4.14Å; A322-A337 HydrophobicContact CB-CB 3.64Å; E333-A337 WeakPolarHBondContact O-CB 3.33Å; E333-A337 PolarHBondContact O-N 3.04Å; A334-A337 PolarHBondContact O-N 2.96Å; A337-E340 PolarHBondContact O-N 3.37Å; A337-A341 PolarHBondContact O-N 3.07Å |
| 338 | W | 98.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 3% | 0.034 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 170.1 | -71.8 | -44.8 | 0 | 0 | 0 | 112.4 | A322 Y326 A334 L335 K336 E340 A341 A342 I364 V368 I369 L372 F418 | A322-W338 VanDerWaalsContact CB-CD1 3.4Å; A322-W338 HydrophobicContact CB-CD2 3.96Å; A322-W338 HydrophobicContact CB-CG 3.79Å; A322-W338 HydrophobicContact CB-CZ2 4.38Å; A322-W338 VanDerWaalsContact CB-NE1 3.32Å; Y326-W338 HydrophobicContact CD2-CH2 4.11Å; Y326-W338 HydrophobicContact CG-CH2 4.25Å; A334-W338 HydrophobicContact CB-CE3 4.27Å; A334-W338 HydrophobicContact CB-CH2 4.12Å; A334-W338 HydrophobicContact CB-CZ3 3.83Å; A334-W338 VanDerWaalsContact O-CE3 3.24Å; A334-W338 PolarHBondContact O-N 2.72Å; L335-W338 HydrophobicContact CD2-CE3 4.36Å; K336-W338 PolarHBondContact O-N 3.34Å; W338-E340 VanDerWaalsContact C-N 3.29Å; W338-E340 PolarHBondContact O-N 2.92Å; W338-A341 WeakPolarHBondContact O-CB 3.38Å; W338-A341 PolarHBondContact O-N 2.99Å; W338-A342 PolarHBondContact O-N 3.11Å; W338-I364 HydrophobicContact CD2-CG2 3.8Å; W338-I364 HydrophobicContact CE3-CG2 4.44Å; W338-I364 HydrophobicContact CG-CG2 3.82Å; W338-I364 HydrophobicContact CZ2-CG2 4.48Å; W338-V368 HydrophobicContact CH2-CG1 3.69Å; W338-V368 HydrophobicContact CZ2-CG1 3.79Å; W338-I369 HydrophobicContact CD2-CD1 4.34Å; W338-I369 HydrophobicContact CD2-CG1 4.4Å; W338-I369 HydrophobicContact CE3-CD1 3.8Å; W338-I369 HydrophobicContact CE3-CG1 3.63Å; W338-I369 HydrophobicContact CH2-CG1 4.35Å; W338-I369 HydrophobicContact CZ3-CD1 4.31Å; W338-I369 HydrophobicContact CZ3-CG1 3.61Å; W338-L372 HydrophobicContact CH2-CD2 4.17Å; W338-L372 HydrophobicContact CZ3-CD2 3.92Å; W338-F418 HydrophobicContact CB-CD2 3.89Å; W338-F418 HydrophobicContact CB-CE2 4.06Å |
| 339 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -32.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L335 K336 Q343 H414 R417 F418 | L335-A339 VanDerWaalsContact O-CB 3.23Å; L335-A339 WeakPolarHBondContact O-CB 3.31Å; L335-A339 PolarHBondContact O-N 3.46Å; K336-A339 CarbonylContact O-C 3.46Å; K336-A339 WeakPolarHBondContact O-CA 3.26Å; K336-A339 WeakPolarHBondContact O-CB 3.38Å; K336-A339 PolarHBondContact O-N 2.93Å; K336-A339 VanDerWaalsContact O-N 3.13Å; A339-Q343 VanDerWaalsContact C-NE2 3.31Å; A339-Q343 VanDerWaalsContact O-CG 3.25Å; A339-Q343 WeakPolarHBondContact O-CG 3.39Å; A339-Q343 PolarHBondContact O-N 3.31Å; A339-Q343 VanDerWaalsContact O-N 3.14Å; A339-Q343 PolarHBondContact O-NE2 3.31Å; A339-H414 HydrophobicContact CB-CB 4.2Å; A339-H414 WeakPolarHBondContact CB-O 2.99Å; A339-R417 HydrophobicContact CB-CB 4.01Å; A339-F418 HydrophobicContact CB-CB 4.23Å |
| 340 | E | 98.6 | Very high | 97.9 | Very high | 59 Ų | 59 | 29.5 Ų | 29.5 | 28% | 0.276 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -71.5 | -41.4 | 173.4 | -71.6 | 171.1 | -167.5 | 0 | 0 | 111.4 | Y318 K336 A337 W338 A342 Q343 V344 | Y318-E340 HydrophobicContact CD1-CB 3.58Å; Y318-E340 HydrophobicContact CE1-CB 3.56Å; Y318-E340 HydrophobicContact CE1-CG 4.4Å; Y318-E340 VanDerWaalsContact CE1-OE2 3.3Å; Y318-E340 WeakPolarHBondContact CE1-OE2 3.17Å; Y318-E340 HydrophobicContact CG-CB 4.38Å; K336-E340 WeakPolarHBondContact CG-OE1 3.41Å; K336-E340 WeakPolarHBondContact O-CG 3.4Å; K336-E340 PolarHBondContact O-N 3.06Å; A337-E340 PolarHBondContact O-N 3.37Å; W338-E340 VanDerWaalsContact C-N 3.29Å; W338-E340 PolarHBondContact O-N 2.92Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.05Å; E340-Q343 WeakPolarHBondContact O-CB 3.46Å; E340-Q343 PolarHBondContact O-N 3.02Å; E340-Q343 VanDerWaalsContact O-N 3.1Å; E340-V344 PolarHBondContact O-N 3.5Å; E340-V344 VanDerWaalsContact O-N 3.12Å |
| 341 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.7 | -46.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I315 M319 A337 W338 Q343 V344 M345 F361 | I315-A341 HydrophobicContact CG2-CB 4.15Å; M319-A341 HydrophobicContact CE-CB 4.2Å; M319-A341 HydrophobicContact SD-CB 3.83Å; A337-A341 PolarHBondContact O-N 3.07Å; W338-A341 WeakPolarHBondContact O-CB 3.38Å; W338-A341 PolarHBondContact O-N 2.99Å; A341-Q343 VanDerWaalsContact C-N 3.29Å; A341-Q343 PolarHBondContact O-N 2.82Å; A341-V344 PolarHBondContact O-N 2.91Å; A341-M345 PolarHBondContact O-N 3.21Å; A341-F361 HydrophobicContact CB-CE1 4.32Å; A341-F361 HydrophobicContact CB-CZ 4.13Å |
| 342 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.6 | -31.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | W338 E340 M345 Q346 F361 F418 G421 I422 | W338-A342 PolarHBondContact O-N 3.11Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.05Å; A342-M345 PolarHBondContact O-N 3.29Å; A342-Q346 PolarHBondContact O-N 2.87Å; A342-F361 HydrophobicContact CB-CE1 4.02Å; A342-F418 HydrophobicContact CB-CD2 4.02Å; A342-F418 WeakPolarHBondContact CB-O 3.42Å; A342-G421 WeakPolarHBondContact O-CA 3.39Å; A342-I422 HydrophobicContact CB-CG1 4.35Å |
| 343 | Q | 98.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 36 Ų | 36 | 24% | 0.243 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.6 | -27.1 | 174.8 | -76.2 | 163.8 | 78 | 0 | 0 | 113 | A339 E340 A341 Q346 | A339-Q343 VanDerWaalsContact C-NE2 3.31Å; A339-Q343 VanDerWaalsContact O-CG 3.25Å; A339-Q343 WeakPolarHBondContact O-CG 3.39Å; A339-Q343 PolarHBondContact O-N 3.31Å; A339-Q343 VanDerWaalsContact O-N 3.14Å; A339-Q343 PolarHBondContact O-NE2 3.31Å; E340-Q343 WeakPolarHBondContact O-CB 3.46Å; E340-Q343 PolarHBondContact O-N 3.02Å; E340-Q343 VanDerWaalsContact O-N 3.1Å; A341-Q343 VanDerWaalsContact C-N 3.29Å; A341-Q343 PolarHBondContact O-N 2.82Å; Q343-Q346 WeakPolarHBondContact O-CG 3.49Å; Q343-Q346 PolarHBondContact O-NE2 2.82Å |
| 344 | V | 98.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.4 | -40.7 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | N312 I315 Y318 E340 A341 Q346 Y348 | N312-V344 WeakPolarHBondContact O-CG1 3.45Å; N312-V344 WeakPolarHBondContact O-CG2 3.22Å; I315-V344 HydrophobicContact CD1-CB 3.73Å; I315-V344 HydrophobicContact CD1-CG1 3.52Å; Y318-V344 HydrophobicContact CD2-CG2 4.26Å; Y318-V344 HydrophobicContact CE2-CG2 3.81Å; E340-V344 PolarHBondContact O-N 3.5Å; E340-V344 VanDerWaalsContact O-N 3.12Å; A341-V344 PolarHBondContact O-N 2.91Å; V344-Q346 PolarHBondContact O-N 3.18Å; V344-Y348 HydrophobicContact CG1-CE2 4.35Å; V344-Y348 WeakPolarHBondContact O-CD2 3.39Å |
| 345 | M | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -27.3 | 179.6 | -171.2 | 53.6 | 81.6 | 0 | 0 | 113.3 | W217 I315 A341 A342 D347 Y348 I357 F361 W425 | W217-M345 HydrophobicContact CB-CE 4.23Å; W217-M345 HydrophobicContact CG-CE 4.01Å; I315-M345 HydrophobicContact CD1-CB 4.11Å; I315-M345 HydrophobicContact CD1-CE 3.97Å; I315-M345 HydrophobicContact CG1-CE 3.81Å; A341-M345 PolarHBondContact O-N 3.21Å; A342-M345 PolarHBondContact O-N 3.29Å; M345-D347 PolarHBondContact O-N 2.84Å; M345-Y348 WeakPolarHBondContact O-CB 3.34Å; M345-Y348 PolarHBondContact O-N 2.65Å; M345-Y348 VanDerWaalsContact O-N 3.08Å; M345-Y348 HydrophobicContact SD-CD2 4.05Å; M345-Y348 HydrophobicContact SD-CG 4.14Å; M345-I357 HydrophobicContact CE-CB 4.19Å; M345-I357 HydrophobicContact CE-CG1 3.49Å; M345-I357 VanDerWaalsContact CE-CG1 3.49Å; M345-I357 HydrophobicContact CE-CG2 3.6Å; M345-F361 HydrophobicContact CB-CE2 3.89Å; M345-F361 HydrophobicContact CB-CZ 3.94Å; M345-F361 HydrophobicContact CE-CD2 4.41Å; M345-F361 HydrophobicContact CE-CE2 3.77Å; M345-F361 HydrophobicContact CG-CE2 3.86Å; M345-F361 HydrophobicContact CG-CZ 4.38Å; M345-W425 HydrophobicContact CE-CZ2 4.21Å; M345-W425 HydrophobicContact CG-CB 4.1Å; M345-W425 HydrophobicContact CG-CD2 3.49Å; M345-W425 VanDerWaalsContact CG-CD2 3.49Å; M345-W425 HydrophobicContact CG-CE3 3.94Å; M345-W425 HydrophobicContact CG-CG 3.57Å; M345-W425 HydrophobicContact CG-CZ2 4.32Å; M345-W425 HydrophobicContact SD-CD2 3.9Å; M345-W425 HydrophobicContact SD-CG 4.07Å; M345-W425 HydrophobicContact SD-CZ2 3.83Å; M345-W425 PolarHBondContact SD-NE1 3.31Å |
| 346 | Q | 97.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.5 | -176.4 | 92.2 | -172.1 | -62.9 | 0 | 0 | 115.2 | A342 Q343 V344 K424 | A342-Q346 PolarHBondContact O-N 2.87Å; Q343-Q346 WeakPolarHBondContact O-CG 3.49Å; Q343-Q346 PolarHBondContact O-NE2 2.82Å; V344-Q346 PolarHBondContact O-N 3.18Å; Q346-K424 HydrophobicContact CB-CB 3.95Å; Q346-K424 HydrophobicContact CB-CG 3.83Å; Q346-K424 HydrophobicContact CG-CG 4.23Å |
| 347 | D | 97.8 | Very high | 96.7 | Very high | 90 Ų | 90 | 37.7 Ų | 37.7 | 48% | 0.481 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.5 | -177.9 | -74.3 | -41.6 | 0 | 0 | 0 | 113.8 | M345 | M345-D347 PolarHBondContact O-N 2.84Š|
| 348 | Y | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -96.4 | 166.6 | 173.1 | -75.1 | -86.8 | 0 | 0 | 0 | 111.8 | K215 S216 W217 L220 K221 E313 V344 M345 | K215-Y348 WeakPolarHBondContact O-CD1 3.33Å; S216-Y348 WeakPolarHBondContact O-CD1 3.42Å; S216-Y348 WeakPolarHBondContact O-CE1 3.45Å; W217-Y348 HydrophobicContact CB-CD1 4.19Å; W217-Y348 HydrophobicContact CB-CE1 4.41Å; L220-Y348 VanDerWaalsContact CA-OH 3.24Å; L220-Y348 WeakPolarHBondContact CA-OH 3.31Å; K221-Y348 HydrophobicContact CB-CE1 4.42Å; K221-Y348 HydrophobicContact CD-CD1 4.34Å; K221-Y348 HydrophobicContact CD-CE1 4.13Å; K221-Y348 VanDerWaalsContact CE-CE1 3.42Å; K221-Y348 HydrophobicContact CG-CD1 4.14Å; K221-Y348 HydrophobicContact CG-CE1 3.76Å; E313-Y348 PolarHBondContact O-OH 3.44Å; V344-Y348 HydrophobicContact CG1-CE2 4.35Å; V344-Y348 WeakPolarHBondContact O-CD2 3.39Å; M345-Y348 WeakPolarHBondContact O-CB 3.34Å; M345-Y348 PolarHBondContact O-N 2.65Å; M345-Y348 VanDerWaalsContact O-N 3.08Å; M345-Y348 HydrophobicContact SD-CD2 4.05Å; M345-Y348 HydrophobicContact SD-CG 4.14Å |
| 349 | N | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 42 Ų | 42 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | trans | -108.1 | 135.7 | 163.1 | -68.1 | -44.6 | 0 | 0 | 0 | 108.2 | E214 K215 F351 S429 | E214-N349 PolarHBondContact O-ND2 2.83Å; K215-N349 PolarHBondContact O-N 2.73Å; N349-F351 HydrophobicContact CB-CD2 4.21Å; N349-F351 HydrophobicContact CB-CE2 3.7Å; N349-F351 WeakPolarHBondContact O-CD2 3.23Å; N349-F351 PolarHBondContact O-N 3.23Å; N349-S429 WeakPolarHBondContact CA-OG 3.43Å | ||
| 350 | Y | 97.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 9% | 0.09 | 21% | 0.206 | C | C | . | . | trans | -77.7 | 110.9 | 174.7 | 176.1 | -134.3 | 0 | 0 | 0 | 111.7 | D354 Y358 W425 S429 P430 T431 V433 | Y350-D354 HydrophobicContact CD2-CB 4.05Å; Y350-D354 HydrophobicContact CE2-CB 4.25Å; Y350-Y358 HydrophobicContact CE1-CD2 4.05Å; Y350-Y358 HydrophobicContact CE2-CD2 4.18Å; Y350-Y358 HydrophobicContact CE2-CG 4.24Å; Y350-Y358 AromaticContact CZ-CD2 3.73Å; Y350-Y358 AromaticContact CZ-CG 3.95Å; Y350-W425 AromaticContact CD2-CH2 3.81Å; Y350-W425 HydrophobicContact CD2-CH2 3.81Å; Y350-W425 AromaticContact CD2-CZ2 3.49Å; Y350-W425 HydrophobicContact CD2-CZ2 3.49Å; Y350-W425 VanDerWaalsContact CD2-CZ2 3.49Å; Y350-W425 HydrophobicContact CE2-CH2 4.34Å; Y350-W425 HydrophobicContact CE2-CZ2 4.38Å; Y350-W425 HydrophobicContact CG-CH2 4.23Å; Y350-W425 AromaticContact CG-CZ2 3.88Å; Y350-W425 HydrophobicContact CG-CZ2 3.88Å; Y350-S429 PolarHBondContact N-OG 3.44Å; Y350-P430 WeakPolarHBondContact O-CD 3.29Å; Y350-T431 WeakPolarHBondContact CD1-O 3.18Å; Y350-T431 PolarHBondContact O-OG1 2.81Å; Y350-V433 HydrophobicContact CD1-CB 4.49Å; Y350-V433 HydrophobicContact CD1-CG2 3.46Å; Y350-V433 VanDerWaalsContact CD1-CG2 3.46Å; Y350-V433 HydrophobicContact CE1-CG2 4.26Å; Y350-V433 HydrophobicContact CG-CG2 3.81Å | ||
| 351 | F | 93.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 43 Ų | 43 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | trans | -101.2 | 157.3 | 167.8 | -74.5 | -102.3 | 0 | 0 | 0 | 110.9 | E214 N349 E353 D354 P430 | E214-F351 HydrophobicContact CB-CE1 4.37Å; E214-F351 HydrophobicContact CB-CE2 3.95Å; E214-F351 HydrophobicContact CB-CZ 3.62Å; E214-F351 HydrophobicContact CG-CZ 4.12Å; E214-F351 WeakPolarHBondContact O-CE2 3.38Å; N349-F351 HydrophobicContact CB-CD2 4.21Å; N349-F351 HydrophobicContact CB-CE2 3.7Å; N349-F351 WeakPolarHBondContact O-CD2 3.23Å; N349-F351 PolarHBondContact O-N 3.23Å; F351-E353 PolarHBondContact O-N 3.47Å; F351-D354 PolarHBondContact N-OD2 3.42Å; F351-D354 WeakPolarHBondContact O-CB 3.35Å; F351-D354 PolarHBondContact O-N 3.06Å; F351-P430 HydrophobicContact CD1-CG 3.87Å; F351-P430 HydrophobicContact CD2-CG 4.31Å; F351-P430 HydrophobicContact CE1-CG 3.74Å; F351-P430 HydrophobicContact CE2-CG 4.18Å; F351-P430 HydrophobicContact CG-CG 4.15Å; F351-P430 HydrophobicContact CZ-CG 3.87Å | ||
| 352 | R | 89.1 | Confident | 96.6 | Very high | 200 Ų | 200 | 45.4 Ų | 45.4 | 76% | 0.755 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.4 | 177.5 | -168.1 | 174.9 | -175.4 | 168.6 | 5.2 | 114.3 | ||
| 353 | E | 89.6 | Confident | 96.6 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -16.4 | 176.8 | -52 | -173.7 | 158.4 | 0 | 0 | 111.6 | H196 R203 L218 F351 E355 | H196-E353 PolarHBondContact CE1-O 3.38Å; H196-E353 VanDerWaalsContact CE1-O 3.24Å; R203-E353 IonicContact CZ-OE1 2.7Å; R203-E353 VanDerWaalsContact CZ-OE1 3.24Å; R203-E353 IonicContact CZ-OE2 2.85Å; R203-E353 VanDerWaalsContact NH1-CD 3.29Å; R203-E353 IonicContact NH1-OE1 3.46Å; R203-E353 PolarHBondContact NH1-OE1 3.31Å; R203-E353 IonicContact NH1-OE2 3.97Å; R203-E353 PolarHBondContact NH1-OE2 3.39Å; R203-E353 IonicContact NH2-OE1 2.74Å; R203-E353 PolarHBondContact NH2-OE1 3Å; R203-E353 IonicContact NH2-OE2 3.58Å; L218-E353 HydrophobicContact CD2-CB 3.83Å; F351-E353 PolarHBondContact O-N 3.47Å; E353-E355 PolarHBondContact O-N 3.33Å |
| 354 | D | 94.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -81.1 | 33 | 171.6 | -48.2 | -50.9 | 0 | 0 | 0 | 111.5 | W217 L218 Y350 F351 E356 I357 Y358 | W217-D354 HydrophobicContact CB-CB 4.32Å; W217-D354 WeakPolarHBondContact CB-OD1 3.44Å; W217-D354 HydrophobicContact CE3-CB 4.21Å; W217-D354 PolarHBondContact N-OD1 3.34Å; L218-D354 WeakPolarHBondContact CB-OD1 3.33Å; L218-D354 PolarHBondContact N-OD1 2.84Å; Y350-D354 HydrophobicContact CD2-CB 4.05Å; Y350-D354 HydrophobicContact CE2-CB 4.25Å; F351-D354 PolarHBondContact N-OD2 3.42Å; F351-D354 WeakPolarHBondContact O-CB 3.35Å; F351-D354 PolarHBondContact O-N 3.06Å; D354-E356 VanDerWaalsContact C-N 3.32Å; D354-E356 PolarHBondContact O-N 3.45Å; D354-I357 HydrophobicContact CB-CG2 4.11Å; D354-Y358 PolarHBondContact O-N 2.81Å | ||
| 355 | E | 94.6 | Very high | 96.6 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.2 | -32.9 | -171.7 | -161.6 | -171 | 110.4 | 0 | 0 | 112.4 | E353 K359 | E353-E355 PolarHBondContact O-N 3.33Å; E355-K359 WeakPolarHBondContact O-CG 3.39Å; E355-K359 PolarHBondContact O-N 3.08Å; E355-K359 WeakPolarHBondContact OE1-CE 3.26Å; E355-K359 IonicContact OE1-NZ 2.7Å; E355-K359 PolarHBondContact OE1-NZ 2.99Å |
| 356 | E | 95.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -72.6 | -47.3 | -178.3 | -53.6 | -44.2 | 126.3 | 0 | 0 | 112.1 | D354 Y358 K359 E360 | D354-E356 VanDerWaalsContact C-N 3.32Å; D354-E356 PolarHBondContact O-N 3.45Å; E356-Y358 VanDerWaalsContact C-N 3.25Å; E356-Y358 PolarHBondContact O-N 3.34Å; E356-K359 WeakPolarHBondContact O-CB 3.23Å; E356-K359 PolarHBondContact O-N 3.29Å; E356-K359 IonicContact OE1-NZ 3.63Å; E356-K359 PolarHBondContact OE1-NZ 2.89Å; E356-K359 WeakPolarHBondContact OE2-CD 3.46Å; E356-K359 IonicContact OE2-NZ 3.39Å; E356-K359 PolarHBondContact OE2-NZ 3.45Å; E356-E360 PolarHBondContact O-N 3.32Å |
| 357 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -26 | 176.7 | -155.2 | 60.8 | 0 | 0 | 0 | 112.6 | W217 I315 Y316 M319 M345 D354 E360 F361 W425 | W217-I357 HydrophobicContact CB-CG2 4.33Å; W217-I357 HydrophobicContact CD2-CB 3.79Å; W217-I357 HydrophobicContact CD2-CG1 4.24Å; W217-I357 HydrophobicContact CD2-CG2 3.56Å; W217-I357 HydrophobicContact CE3-CB 3.78Å; W217-I357 HydrophobicContact CE3-CG2 3.52Å; W217-I357 HydrophobicContact CG-CG2 3.95Å; W217-I357 HydrophobicContact CH2-CB 3.7Å; W217-I357 HydrophobicContact CH2-CD1 4.4Å; W217-I357 HydrophobicContact CH2-CG1 4.38Å; W217-I357 HydrophobicContact CH2-CG2 4.39Å; W217-I357 HydrophobicContact CZ2-CB 3.73Å; W217-I357 HydrophobicContact CZ2-CD1 3.86Å; W217-I357 HydrophobicContact CZ2-CG1 3.93Å; W217-I357 HydrophobicContact CZ2-CG2 4.45Å; W217-I357 HydrophobicContact CZ3-CB 3.74Å; W217-I357 HydrophobicContact CZ3-CG2 3.97Å; I315-I357 HydrophobicContact CB-CD1 4.21Å; I315-I357 HydrophobicContact CG2-CD1 3.85Å; I315-I357 HydrophobicContact CG2-CG1 4.27Å; Y316-I357 HydrophobicContact CE1-CD1 4.31Å; M319-I357 HydrophobicContact CE-CD1 4.33Å; M345-I357 HydrophobicContact CE-CB 4.19Å; M345-I357 HydrophobicContact CE-CG1 3.49Å; M345-I357 VanDerWaalsContact CE-CG1 3.49Å; M345-I357 HydrophobicContact CE-CG2 3.6Å; D354-I357 HydrophobicContact CB-CG2 4.11Å; I357-E360 HydrophobicContact CD1-CB 4.12Å; I357-E360 HydrophobicContact CD1-CG 4.23Å; I357-F361 HydrophobicContact CG1-CD2 4.09Å; I357-F361 HydrophobicContact CG1-CE2 4Å; I357-F361 WeakPolarHBondContact O-CD2 3.44Å; I357-F361 PolarHBondContact O-N 3.03Å; I357-F361 VanDerWaalsContact O-N 3.12Å; I357-W425 HydrophobicContact CG2-CH2 4.25Å; I357-W425 HydrophobicContact CG2-CZ2 4.22Å |
| 358 | Y | 98 | Very high | 96.4 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 167.6 | 174.8 | -86 | 0 | 0 | 0 | 111.6 | Y350 D354 E356 F362 W425 V433 H435 W438 | Y350-Y358 HydrophobicContact CE1-CD2 4.05Å; Y350-Y358 HydrophobicContact CE2-CD2 4.18Å; Y350-Y358 HydrophobicContact CE2-CG 4.24Å; Y350-Y358 AromaticContact CZ-CD2 3.73Å; Y350-Y358 AromaticContact CZ-CG 3.95Å; D354-Y358 PolarHBondContact O-N 2.81Å; E356-Y358 VanDerWaalsContact C-N 3.25Å; E356-Y358 PolarHBondContact O-N 3.34Å; Y358-F362 HydrophobicContact CE1-CB 4.24Å; Y358-F362 HydrophobicContact CE1-CD2 4.2Å; Y358-F362 HydrophobicContact CE1-CG 4.43Å; Y358-F362 WeakPolarHBondContact O-CB 3.42Å; Y358-F362 PolarHBondContact O-N 2.64Å; Y358-W425 HydrophobicContact CD2-CH2 4.41Å; Y358-W425 HydrophobicContact CD2-CZ3 4.41Å; Y358-V433 HydrophobicContact CD2-CG1 4.16Å; Y358-V433 HydrophobicContact CE2-CG1 3.91Å; Y358-V433 PolarHBondContact OH-O 3.47Å; Y358-H435 PolarHBondContact OH-CD2 3.04Å; Y358-H435 PolarHBondContact OH-NE2 3.3Å; Y358-H435 VanDerWaalsContact OH-NE2 3.17Å; Y358-W438 AromaticContact CE2-CZ2 3.83Å; Y358-W438 HydrophobicContact CE2-CZ2 3.83Å; Y358-W438 AromaticContact CZ-NE1 3.99Å; Y358-W438 PolarHBondContact OH-NE1 2.93Å; Y358-W438 VanDerWaalsContact OH-NE1 3.13Å |
| 359 | K | 97.6 | Very high | 96.4 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.5 | -68.5 | 159.2 | -170.3 | 153.8 | 0 | 111.4 | E355 E356 F361 F362 D363 | E355-K359 WeakPolarHBondContact O-CG 3.39Å; E355-K359 PolarHBondContact O-N 3.08Å; E355-K359 WeakPolarHBondContact OE1-CE 3.26Å; E355-K359 IonicContact OE1-NZ 2.7Å; E355-K359 PolarHBondContact OE1-NZ 2.99Å; E356-K359 WeakPolarHBondContact O-CB 3.23Å; E356-K359 PolarHBondContact O-N 3.29Å; E356-K359 IonicContact OE1-NZ 3.63Å; E356-K359 PolarHBondContact OE1-NZ 2.89Å; E356-K359 WeakPolarHBondContact OE2-CD 3.46Å; E356-K359 IonicContact OE2-NZ 3.39Å; E356-K359 PolarHBondContact OE2-NZ 3.45Å; K359-F361 PolarHBondContact O-N 3.12Å; K359-F362 CarbonylContact O-C 3.55Å; K359-F362 WeakPolarHBondContact O-CA 3.41Å; K359-F362 WeakPolarHBondContact O-CB 3.45Å; K359-F362 PolarHBondContact O-N 3.09Å; K359-F362 VanDerWaalsContact O-N 3.07Å; K359-D363 PolarHBondContact O-N 3.31Å |
| 360 | E | 98.2 | Very high | 96.3 | Very high | 79 Ų | 79 | 46 Ų | 46 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -53.3 | -56.5 | 176.8 | -68.4 | -69.9 | 175.1 | 0 | 0 | 111.2 | Y316 M319 E356 I357 F362 D363 I364 | Y316-E360 HydrophobicContact CE1-CG 4.14Å; M319-E360 HydrophobicContact CE-CB 4.37Å; E356-E360 PolarHBondContact O-N 3.32Å; I357-E360 HydrophobicContact CD1-CB 4.12Å; I357-E360 HydrophobicContact CD1-CG 4.23Å; E360-F362 VanDerWaalsContact C-N 3.26Å; E360-F362 PolarHBondContact O-N 3.09Å; E360-D363 PolarHBondContact O-N 3.02Å; E360-I364 VanDerWaalsContact O-CB 3.31Å; E360-I364 WeakPolarHBondContact O-CB 3.44Å; E360-I364 VanDerWaalsContact O-CD1 3.28Å; E360-I364 WeakPolarHBondContact O-CD1 3.33Å; E360-I364 WeakPolarHBondContact O-CG1 3.38Å; E360-I364 PolarHBondContact O-N 3.31Å |
| 361 | F | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -32.5 | 177.2 | -81.3 | -67.7 | 0 | 0 | 0 | 112.9 | I315 M319 A341 A342 M345 I357 K359 A365 F418 I422 W425 W438 | I315-F361 HydrophobicContact CG2-CE2 4Å; I315-F361 HydrophobicContact CG2-CZ 4Å; M319-F361 HydrophobicContact CE-CD1 3.91Å; M319-F361 HydrophobicContact CE-CD2 4.07Å; M319-F361 HydrophobicContact CE-CE1 3.6Å; M319-F361 HydrophobicContact CE-CE2 3.76Å; M319-F361 HydrophobicContact CE-CG 4.13Å; M319-F361 HydrophobicContact CE-CZ 3.52Å; A341-F361 HydrophobicContact CB-CE1 4.32Å; A341-F361 HydrophobicContact CB-CZ 4.13Å; A342-F361 HydrophobicContact CB-CE1 4.02Å; M345-F361 HydrophobicContact CB-CE2 3.89Å; M345-F361 HydrophobicContact CB-CZ 3.94Å; M345-F361 HydrophobicContact CE-CD2 4.41Å; M345-F361 HydrophobicContact CE-CE2 3.77Å; M345-F361 HydrophobicContact CG-CE2 3.86Å; M345-F361 HydrophobicContact CG-CZ 4.38Å; I357-F361 HydrophobicContact CG1-CD2 4.09Å; I357-F361 HydrophobicContact CG1-CE2 4Å; I357-F361 WeakPolarHBondContact O-CD2 3.44Å; I357-F361 PolarHBondContact O-N 3.03Å; I357-F361 VanDerWaalsContact O-N 3.12Å; K359-F361 PolarHBondContact O-N 3.12Å; F361-A365 WeakPolarHBondContact O-CB 3.38Å; F361-A365 PolarHBondContact O-N 3.23Å; F361-A365 VanDerWaalsContact O-N 3.07Å; F361-F418 AromaticContact CD1-CE2 3.76Å; F361-F418 HydrophobicContact CD1-CE2 3.76Å; F361-F418 HydrophobicContact CD1-CZ 4.23Å; F361-F418 HydrophobicContact CE1-CE2 4.03Å; F361-I422 HydrophobicContact CB-CD1 4.27Å; F361-I422 HydrophobicContact CD1-CD1 3.74Å; F361-I422 HydrophobicContact CD1-CG1 4.1Å; F361-I422 HydrophobicContact CE1-CD1 4.45Å; F361-I422 HydrophobicContact CE1-CG1 4.49Å; F361-I422 HydrophobicContact CG-CD1 4.27Å; F361-W425 HydrophobicContact CD2-CZ3 4.49Å; F361-W438 HydrophobicContact CB-CH2 4.02Å; F361-W438 WeakPolarHBondContact O-CH2 3.31Å; F361-W438 WeakPolarHBondContact O-CZ3 3.5Å |
| 362 | F | 98.2 | Very high | 96.2 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.4 | -53 | 176 | -173 | -86.3 | 0 | 0 | 0 | 111.4 | Y358 K359 E360 I364 A365 N366 H435 W438 | Y358-F362 HydrophobicContact CE1-CB 4.24Å; Y358-F362 HydrophobicContact CE1-CD2 4.2Å; Y358-F362 HydrophobicContact CE1-CG 4.43Å; Y358-F362 WeakPolarHBondContact O-CB 3.42Å; Y358-F362 PolarHBondContact O-N 2.64Å; K359-F362 CarbonylContact O-C 3.55Å; K359-F362 WeakPolarHBondContact O-CA 3.41Å; K359-F362 WeakPolarHBondContact O-CB 3.45Å; K359-F362 PolarHBondContact O-N 3.09Å; K359-F362 VanDerWaalsContact O-N 3.07Å; E360-F362 VanDerWaalsContact C-N 3.26Å; E360-F362 PolarHBondContact O-N 3.09Å; F362-I364 PolarHBondContact O-N 3.49Å; F362-A365 PolarHBondContact O-N 2.98Å; F362-N366 HydrophobicContact CD1-CB 4.33Å; F362-N366 WeakPolarHBondContact CD2-ND2 3.39Å; F362-N366 HydrophobicContact CE1-CB 4.03Å; F362-N366 HydrophobicContact CZ-CB 4.27Å; F362-N366 VanDerWaalsContact O-CB 3.24Å; F362-N366 WeakPolarHBondContact O-CB 3.33Å; F362-N366 PolarHBondContact O-N 2.84Å; F362-N366 PolarHBondContact O-ND2 2.88Å; F362-H435 AromaticContact CE2-CE1 3.85Å; F362-H435 AromaticContact CE2-NE2 3.47Å; F362-H435 WeakPolarHBondContact CE2-NE2 3.2Å; F362-W438 HydrophobicContact CB-CH2 4.24Å; F362-W438 HydrophobicContact CB-CZ2 3.99Å; F362-W438 HydrophobicContact CD2-CD2 4.26Å; F362-W438 AromaticContact CD2-CE2 3.56Å; F362-W438 AromaticContact CD2-CZ2 3.76Å; F362-W438 HydrophobicContact CD2-CZ2 3.76Å; F362-W438 AromaticContact CD2-NE1 3.5Å; F362-W438 AromaticContact CE2-NE1 3.78Å; F362-W438 HydrophobicContact CG-CZ2 4.36Å |
| 363 | D | 98.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 35.1 Ų | 35.1 | 48% | 0.481 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.4 | -35.5 | -176.4 | -69.3 | -23.2 | 0 | 0 | 0 | 111.2 | K359 E360 A365 D367 V368 | K359-D363 PolarHBondContact O-N 3.31Å; E360-D363 PolarHBondContact O-N 3.02Å; D363-A365 PolarHBondContact O-N 2.69Å; D363-D367 PolarHBondContact O-N 2.99Å; D363-V368 PolarHBondContact O-N 2.82Å |
| 364 | I | 98.3 | Very high | 96.6 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -57.8 | -48.3 | 169.5 | -68.4 | 162.8 | 0 | 0 | 0 | 111.1 | M319 W338 E360 F362 I369 F418 | M319-I364 HydrophobicContact CE-CD1 3.68Å; M319-I364 HydrophobicContact SD-CD1 3.61Å; W338-I364 HydrophobicContact CD2-CG2 3.8Å; W338-I364 HydrophobicContact CE3-CG2 4.44Å; W338-I364 HydrophobicContact CG-CG2 3.82Å; W338-I364 HydrophobicContact CZ2-CG2 4.48Å; E360-I364 VanDerWaalsContact O-CB 3.31Å; E360-I364 WeakPolarHBondContact O-CB 3.44Å; E360-I364 VanDerWaalsContact O-CD1 3.28Å; E360-I364 WeakPolarHBondContact O-CD1 3.33Å; E360-I364 WeakPolarHBondContact O-CG1 3.38Å; E360-I364 PolarHBondContact O-N 3.31Å; F362-I364 PolarHBondContact O-N 3.49Å; I364-I369 HydrophobicContact CG2-CD1 3.71Å; I364-I369 HydrophobicContact CG2-CG1 4.07Å; I364-I369 WeakPolarHBondContact O-CB 3.5Å; I364-I369 WeakPolarHBondContact O-CG1 3.39Å; I364-I369 PolarHBondContact O-N 2.97Å; I364-F418 HydrophobicContact CB-CZ 4.42Å; I364-F418 HydrophobicContact CG2-CE2 3.88Å; I364-F418 HydrophobicContact CG2-CZ 3.71Å |
| 365 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -77.4 | -27.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F361 F362 D363 P370 F418 Y419 W438 | F361-A365 WeakPolarHBondContact O-CB 3.38Å; F361-A365 PolarHBondContact O-N 3.23Å; F361-A365 VanDerWaalsContact O-N 3.07Å; F362-A365 PolarHBondContact O-N 2.98Å; D363-A365 PolarHBondContact O-N 2.69Å; A365-P370 WeakPolarHBondContact O-CD 3.32Å; A365-P370 WeakPolarHBondContact O-CG 3.49Å; A365-F418 HydrophobicContact CB-CE1 3.68Å; A365-F418 HydrophobicContact CB-CZ 3.9Å; A365-Y419 HydrophobicContact CB-CE1 4.48Å; A365-Y419 PolarHBondContact O-OH 2.94Å; A365-W438 HydrophobicContact CB-CE3 3.65Å; A365-W438 HydrophobicContact CB-CH2 4.46Å; A365-W438 HydrophobicContact CB-CZ3 3.41Å; A365-W438 VanDerWaalsContact CB-CZ3 3.41Å |
| 366 | N | 97.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -111.9 | -15.8 | -169.3 | -61.9 | -86.4 | 0 | 0 | 0 | 113.9 | F362 W438 Y441 | F362-N366 HydrophobicContact CD1-CB 4.33Å; F362-N366 WeakPolarHBondContact CD2-ND2 3.39Å; F362-N366 HydrophobicContact CE1-CB 4.03Å; F362-N366 HydrophobicContact CZ-CB 4.27Å; F362-N366 VanDerWaalsContact O-CB 3.24Å; F362-N366 WeakPolarHBondContact O-CB 3.33Å; F362-N366 PolarHBondContact O-N 2.84Å; F362-N366 PolarHBondContact O-ND2 2.88Å; N366-W438 VanDerWaalsContact OD1-CA 3.26Å; N366-W438 WeakPolarHBondContact OD1-CA 3.44Å; N366-W438 PolarHBondContact OD1-N 2.73Å; N366-Y441 HydrophobicContact CB-CD2 3.66Å; N366-Y441 HydrophobicContact CB-CE2 4Å; N366-Y441 HydrophobicContact CB-CG 4.08Å; N366-Y441 VanDerWaalsContact O-CD1 3.25Å; N366-Y441 WeakPolarHBondContact O-CD1 3.49Å; N366-Y441 WeakPolarHBondContact O-CE1 3.48Å; N366-Y441 WeakPolarHBondContact OD1-CD2 3.41Å |
| 367 | D | 97.1 | Very high | 95.9 | Very high | 95 Ų | 95 | 36.1 Ų | 36.1 | 51% | 0.508 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -126.2 | -60.9 | 168.8 | -169 | 3 | 0 | 0 | 0 | 112.5 | D363 I369 P370 T371 | D363-D367 PolarHBondContact O-N 2.99Å; D367-I369 PolarHBondContact O-N 2.89Å; D367-P370 VanDerWaalsContact O-CD 3.27Å; D367-P370 WeakPolarHBondContact O-CD 3.5Å; D367-T371 VanDerWaalsContact O-CB 3.24Å; D367-T371 WeakPolarHBondContact O-CB 3.48Å; D367-T371 PolarHBondContact O-N 2.9Å; D367-T371 PolarHBondContact O-OG1 3.07Å; D367-T371 PolarHBondContact OD1-OG1 3.23Å |
| 368 | V | 97.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -59.8 | -52.2 | -166.9 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | Y326 W338 D363 T371 L372 | Y326-V368 HydrophobicContact CD1-CG1 4.32Å; Y326-V368 HydrophobicContact CD2-CG1 3.89Å; Y326-V368 HydrophobicContact CE1-CG1 4.11Å; Y326-V368 HydrophobicContact CE2-CG1 3.67Å; Y326-V368 HydrophobicContact CG-CG1 4.21Å; W338-V368 HydrophobicContact CH2-CG1 3.69Å; W338-V368 HydrophobicContact CZ2-CG1 3.79Å; D363-V368 PolarHBondContact O-N 2.82Å; V368-T371 PolarHBondContact O-N 2.71Å; V368-L372 VanDerWaalsContact O-CB 3.28Å; V368-L372 WeakPolarHBondContact O-CB 3.41Å; V368-L372 PolarHBondContact O-N 3.32Å |
| 369 | I | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -50.3 | 176.6 | -69.9 | 171.8 | 0 | 0 | 0 | 111.3 | L335 W338 I364 D367 T371 L372 L373 L415 F418 | L335-I369 HydrophobicContact CD2-CD1 4.18Å; L335-I369 HydrophobicContact CD2-CG1 4.19Å; L335-I369 HydrophobicContact CD2-CG2 4.17Å; W338-I369 HydrophobicContact CD2-CD1 4.34Å; W338-I369 HydrophobicContact CD2-CG1 4.4Å; W338-I369 HydrophobicContact CE3-CD1 3.8Å; W338-I369 HydrophobicContact CE3-CG1 3.63Å; W338-I369 HydrophobicContact CH2-CG1 4.35Å; W338-I369 HydrophobicContact CZ3-CD1 4.31Å; W338-I369 HydrophobicContact CZ3-CG1 3.61Å; I364-I369 HydrophobicContact CG2-CD1 3.71Å; I364-I369 HydrophobicContact CG2-CG1 4.07Å; I364-I369 WeakPolarHBondContact O-CB 3.5Å; I364-I369 WeakPolarHBondContact O-CG1 3.39Å; I364-I369 PolarHBondContact O-N 2.97Å; D367-I369 PolarHBondContact O-N 2.89Å; I369-T371 PolarHBondContact O-N 2.93Å; I369-L372 PolarHBondContact O-N 3.22Å; I369-L373 HydrophobicContact CG2-CD1 3.65Å; I369-L373 HydrophobicContact CG2-CG 4.15Å; I369-L373 WeakPolarHBondContact O-CB 3.34Å; I369-L373 VanDerWaalsContact O-CG 3.29Å; I369-L373 WeakPolarHBondContact O-CG 3.37Å; I369-L373 PolarHBondContact O-N 3.37Å; I369-L415 HydrophobicContact CG2-CD1 3.9Å; I369-F418 HydrophobicContact CD1-CD1 4.18Å; I369-F418 HydrophobicContact CD1-CE1 3.92Å; I369-F418 HydrophobicContact CD1-CE2 4.44Å; I369-F418 HydrophobicContact CD1-CZ 4.05Å |
| 370 | P | 95.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.4 | -35.3 | 173.9 | -31.4 | 36.8 | 0 | 0 | 0 | 115.4 | A365 D367 K374 Y441 | A365-P370 WeakPolarHBondContact O-CD 3.32Å; A365-P370 WeakPolarHBondContact O-CG 3.49Å; D367-P370 VanDerWaalsContact O-CD 3.27Å; D367-P370 WeakPolarHBondContact O-CD 3.5Å; P370-K374 VanDerWaalsContact O-CB 3.28Å; P370-K374 WeakPolarHBondContact O-CB 3.18Å; P370-K374 PolarHBondContact O-N 3.49Å; P370-Y441 HydrophobicContact CB-CD1 4.08Å; P370-Y441 HydrophobicContact CG-CD1 3.82Å; P370-Y441 HydrophobicContact CG-CG 4.28Å |
| 371 | T | 94.9 | Very high | 91.2 | Very high | 42 Ų | 42 | 42 Ų | 42 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -77.3 | -46.5 | 177.9 | -72.4 | 0 | 0 | 0 | 0 | 111.1 | D367 V368 I369 L373 K374 E375 | D367-T371 VanDerWaalsContact O-CB 3.24Å; D367-T371 WeakPolarHBondContact O-CB 3.48Å; D367-T371 PolarHBondContact O-N 2.9Å; D367-T371 PolarHBondContact O-OG1 3.07Å; D367-T371 PolarHBondContact OD1-OG1 3.23Å; V368-T371 PolarHBondContact O-N 2.71Å; I369-T371 PolarHBondContact O-N 2.93Å; T371-L373 PolarHBondContact O-N 3.45Å; T371-K374 WeakPolarHBondContact O-CB 3.2Å; T371-K374 PolarHBondContact O-N 3.47Å; T371-K374 VanDerWaalsContact O-N 3.08Å; T371-E375 PolarHBondContact O-N 2.66Å |
| 372 | L | 94.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.7 | -175.4 | 63.6 | 0 | 0 | 0 | 112.5 | Y326 V331 A334 W338 V368 I369 K374 E375 T376 | Y326-L372 HydrophobicContact CD2-CB 4.42Å; Y326-L372 HydrophobicContact CD2-CD1 3.86Å; Y326-L372 HydrophobicContact CD2-CD2 4.11Å; Y326-L372 HydrophobicContact CD2-CG 4.35Å; Y326-L372 HydrophobicContact CE2-CB 4.21Å; Y326-L372 HydrophobicContact CE2-CD1 4.02Å; V331-L372 HydrophobicContact CB-CD2 4.46Å; V331-L372 HydrophobicContact CG1-CD2 4Å; V331-L372 HydrophobicContact CG1-CG 4.2Å; V331-L372 HydrophobicContact CG2-CD1 4.03Å; V331-L372 HydrophobicContact CG2-CD2 4.43Å; V331-L372 HydrophobicContact CG2-CG 4.17Å; A334-L372 HydrophobicContact CB-CD2 4.48Å; W338-L372 HydrophobicContact CH2-CD2 4.17Å; W338-L372 HydrophobicContact CZ3-CD2 3.92Å; V368-L372 VanDerWaalsContact O-CB 3.28Å; V368-L372 WeakPolarHBondContact O-CB 3.41Å; V368-L372 PolarHBondContact O-N 3.32Å; I369-L372 PolarHBondContact O-N 3.22Å; L372-K374 VanDerWaalsContact C-N 3.27Å; L372-K374 PolarHBondContact O-N 3.21Å; L372-E375 PolarHBondContact O-N 2.88Å; L372-T376 WeakPolarHBondContact O-CB 3.44Å; L372-T376 PolarHBondContact O-N 3.09Å; L372-T376 PolarHBondContact O-OG1 2.99Å |
| 373 | L | 93.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -25.5 | 177.5 | -62.4 | 173.8 | 0 | 0 | 0 | 112.4 | L335 I369 T371 A377 L406 R448 F449 | L335-L373 HydrophobicContact CD1-CD2 4.38Å; I369-L373 HydrophobicContact CG2-CD1 3.65Å; I369-L373 HydrophobicContact CG2-CG 4.15Å; I369-L373 WeakPolarHBondContact O-CB 3.34Å; I369-L373 VanDerWaalsContact O-CG 3.29Å; I369-L373 WeakPolarHBondContact O-CG 3.37Å; I369-L373 PolarHBondContact O-N 3.37Å; T371-L373 PolarHBondContact O-N 3.45Å; L373-A377 WeakPolarHBondContact O-CB 3.29Å; L373-A377 PolarHBondContact O-N 3.3Å; L373-L406 HydrophobicContact CB-CD2 4.36Å; L373-L406 HydrophobicContact CD2-CD2 3.67Å; L373-R448 HydrophobicContact CB-CB 4.32Å; L373-R448 HydrophobicContact CB-CG 3.99Å; L373-F449 HydrophobicContact CD1-CE2 4.08Å; L373-F449 HydrophobicContact CD2-CE2 3.96Å; L373-F449 HydrophobicContact CD2-CZ 3.94Å |
| 374 | K | 93.1 | Very high | 83.3 | Confident | 116 Ų | 116 | 54.3 Ų | 54.3 | 50% | 0.504 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.6 | -44.4 | 173.2 | 174.2 | -164.8 | 167.2 | -156.6 | 0 | 111.2 | P370 T371 L372 A377 T378 | P370-K374 VanDerWaalsContact O-CB 3.28Å; P370-K374 WeakPolarHBondContact O-CB 3.18Å; P370-K374 PolarHBondContact O-N 3.49Å; T371-K374 WeakPolarHBondContact O-CB 3.2Å; T371-K374 PolarHBondContact O-N 3.47Å; T371-K374 VanDerWaalsContact O-N 3.08Å; L372-K374 VanDerWaalsContact C-N 3.27Å; L372-K374 PolarHBondContact O-N 3.21Å; K374-A377 PolarHBondContact O-N 2.95Å; K374-T378 PolarHBondContact O-N 3.05Å; K374-T378 VanDerWaalsContact O-N 3.15Å; K374-T378 PolarHBondContact O-OG1 3.39Å |
| 375 | E | 91.6 | Very high | 80.6 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 175.6 | -73.6 | -174.4 | -167.9 | 0 | 0 | 111.3 | R329 T371 L372 A377 T378 A379 | R329-E375 IonicContact CZ-OE2 2.84Å; R329-E375 IonicContact NE-OE2 2.76Å; R329-E375 PolarHBondContact NE-OE2 2.83Å; R329-E375 IonicContact NH2-OE1 3.92Å; R329-E375 PolarHBondContact NH2-OE1 3.09Å; R329-E375 IonicContact NH2-OE2 2.65Å; R329-E375 PolarHBondContact NH2-OE2 2.87Å; T371-E375 PolarHBondContact O-N 2.66Å; L372-E375 PolarHBondContact O-N 2.88Å; E375-A377 PolarHBondContact O-N 2.9Å; E375-T378 WeakPolarHBondContact CA-OG1 3.41Å; E375-T378 PolarHBondContact O-N 2.95Å; E375-T378 PolarHBondContact O-OG1 3.1Å; E375-A379 PolarHBondContact O-N 3.14Å |
| 376 | T | 90 | Very high | 77.7 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 11% | 0.11 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.6 | -50.8 | 174.6 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | L372 T378 A379 D380 A405 L406 | L372-T376 WeakPolarHBondContact O-CB 3.44Å; L372-T376 PolarHBondContact O-N 3.09Å; L372-T376 PolarHBondContact O-OG1 2.99Å; T376-T378 PolarHBondContact O-N 3.23Å; T376-T378 VanDerWaalsContact O-N 3.11Å; T376-A379 PolarHBondContact O-N 3.26Å; T376-D380 PolarHBondContact O-N 3.33Å; T376-A405 HydrophobicContact CG2-CB 4.31Å; T376-L406 HydrophobicContact CG2-CD1 4.15Å; T376-L406 HydrophobicContact CG2-CG 3.92Å |
| 377 | A | 88.3 | Confident | 74.8 | Confident | 33 Ų | 33 | 73 Ų | 73 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.8 | -20.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L373 K374 E375 L406 | L373-A377 WeakPolarHBondContact O-CB 3.29Å; L373-A377 PolarHBondContact O-N 3.3Å; K374-A377 PolarHBondContact O-N 2.95Å; E375-A377 PolarHBondContact O-N 2.9Å; A377-L406 HydrophobicContact CB-CD1 3.61Å |
| 378 | T | 86.9 | Confident | 71.9 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 66% | 0.656 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -88.1 | -28.2 | 172.2 | 45.1 | 0 | 0 | 0 | 0 | 113.4 | K374 E375 T376 G381 | K374-T378 PolarHBondContact O-N 3.05Å; K374-T378 VanDerWaalsContact O-N 3.15Å; K374-T378 PolarHBondContact O-OG1 3.39Å; E375-T378 WeakPolarHBondContact CA-OG1 3.41Å; E375-T378 PolarHBondContact O-N 2.95Å; E375-T378 PolarHBondContact O-OG1 3.1Å; T376-T378 PolarHBondContact O-N 3.23Å; T376-T378 VanDerWaalsContact O-N 3.11Å; T378-G381 PolarHBondContact O-N 2.9Å |
| 379 | A | 80.4 | Confident | 69.2 | Low | 83 Ų | 83 | 75.6 Ų | 75.6 | 69% | 0.686 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.8 | -30.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E375 T376 G381 | E375-A379 PolarHBondContact O-N 3.14Å; T376-A379 PolarHBondContact O-N 3.26Å; A379-G381 VanDerWaalsContact C-N 3.26Å; A379-G381 PolarHBondContact O-N 3.1Å |
| 380 | D | 68.1 | Low | 66.5 | Low | 81 Ų | 81 | 83.2 Ų | 83.2 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.8 | 175 | -62.8 | -38.6 | 0 | 0 | 0 | 114 | T376 S404 | T376-D380 PolarHBondContact O-N 3.33Å; D380-S404 VanDerWaalsContact CG-OG 3.25Å; D380-S404 VanDerWaalsContact OD1-CB 3.29Å; D380-S404 WeakPolarHBondContact OD1-CB 3.41Å; D380-S404 PolarHBondContact OD1-OG 2.78Å; D380-S404 WeakPolarHBondContact OD2-CB 3.27Å; D380-S404 PolarHBondContact OD2-OG 2.78Å |
| 381 | G | 57.6 | Low | 63.5 | Low | 35 Ų | 35 | 85.1 Ų | 85.1 | 36% | 0.361 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -68.7 | 152.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | T378 A379 G383 | T378-G381 PolarHBondContact O-N 2.9Å; A379-G381 VanDerWaalsContact C-N 3.26Å; A379-G381 PolarHBondContact O-N 3.1Å; G381-G383 PolarHBondContact O-N 3.13Å |
| 382 | P | 47 | Very low | 60.9 | Low | 137 Ų | 137 | 88.1 Ų | 88.1 | 89% | 0.89 | 56% | 0.561 | S | S | * | * | trans | -62 | 113 | 168.6 | 27.5 | -32.8 | 0 | 0 | 0 | 108.5 | ||||
| 383 | G | 44.6 | Very low | 58.3 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 68% | 0.68 | 60% | 0.6 | S | S | * | * | trans | -62.8 | 148.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G381 D385 | G381-G383 PolarHBondContact O-N 3.13Å; G383-D385 PolarHBondContact O-N 3.39Å | ||
| 384 | E | 38.8 | Very low | 55.8 | Low | 195 Ų | 195 | 103.3 Ų | 103.3 | 91% | 0.911 | 63% | 0.634 | S | S | * | * | trans | -65.8 | 131.3 | 165.1 | -63.5 | -176.8 | 127.1 | 0 | 0 | 108.6 | G386 | E384-G386 PolarHBondContact O-N 2.74Š| ||
| 385 | D | 40 | Very low | 53.1 | Low | 163 Ų | 163 | 104 Ų | 104 | 87% | 0.872 | 64% | 0.64 | S | S | * | * | trans | -64.8 | 91.9 | -177.8 | -71.3 | -59 | 0 | 0 | 0 | 111.1 | G383 D387 | G383-D385 PolarHBondContact O-N 3.39Å; D385-D387 VanDerWaalsContact C-N 3.28Å; D385-D387 PolarHBondContact O-N 3.33Å | ||
| 386 | G | 37 | Very low | 50.4 | Low | 77 Ų | 77 | 107.2 Ų | 107.2 | 79% | 0.794 | 66% | 0.659 | S | S | * | * | trans | -73.2 | 78.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E384 G388 | E384-G386 PolarHBondContact O-N 2.74Å; G386-G388 PolarHBondContact O-N 3.05Å; G386-G388 VanDerWaalsContact O-N 3.11Å | ||
| 387 | D | 38.1 | Very low | 47.8 | Very low | 170 Ų | 170 | 110.4 Ų | 110.4 | 91% | 0.909 | 69% | 0.687 | S | S | * | * | trans | -47.1 | 111 | -179 | -172.9 | 22.7 | 0 | 0 | 0 | 112.4 | D385 | D385-D387 VanDerWaalsContact C-N 3.28Å; D385-D387 PolarHBondContact O-N 3.33Å | ||
| 388 | G | 34.5 | Very low | 45.5 | Very low | 43 Ų | 43 | 116.8 Ų | 116.8 | 44% | 0.443 | 71% | 0.709 | S | S | . | * | trans | -161.6 | 134.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G386 D390 | G386-G388 PolarHBondContact O-N 3.05Å; G386-G388 VanDerWaalsContact O-N 3.11Å; G388-D390 PolarHBondContact O-N 3.29Å | ||
| 389 | P | 41.6 | Very low | 42.9 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 92% | 0.916 | 71% | 0.708 | S | S | * | * | trans | -73.5 | 124.3 | -162.7 | 27.4 | -35.2 | 0 | 0 | 0 | 113.5 | ||||
| 390 | D | 39.7 | Very low | 40.7 | Very low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -67.4 | 151.5 | -179.2 | -79.8 | -60.4 | 0 | 0 | 0 | 115 | G388 | G388-D390 PolarHBondContact O-N 3.29Š| ||
| 391 | G | 33.2 | Very low | 39.4 | Very low | 43 Ų | 43 | 124.2 Ų | 124.2 | 44% | 0.443 | 73% | 0.729 | S | S | . | * | trans | -122.4 | 132.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D393 | G391-D393 VanDerWaalsContact C-N 3.28Å; G391-D393 PolarHBondContact O-N 3.07Å; G391-D393 VanDerWaalsContact O-N 3.11Å | ||
| 392 | P | 39.8 | Very low | 39 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -69.8 | -15 | -159.4 | 26.8 | -36.4 | 0 | 0 | 0 | 115.7 | K394 | P392-K394 VanDerWaalsContact C-N 3.29Å; P392-K394 PolarHBondContact O-N 3.03Å |
| 393 | D | 40.8 | Very low | 39.8 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -83.5 | 7.4 | -171.1 | -61 | -58.1 | 0 | 0 | 0 | 115.1 | G391 | G391-D393 VanDerWaalsContact C-N 3.28Å; G391-D393 PolarHBondContact O-N 3.07Å; G391-D393 VanDerWaalsContact O-N 3.11Å |
| 394 | K | 41.3 | Very low | 41.8 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -105.8 | -13.9 | -179.8 | -78.7 | -173.1 | 177.3 | 177.9 | 0 | 116 | P392 | P392-K394 VanDerWaalsContact C-N 3.29Å; P392-K394 PolarHBondContact O-N 3.03Å |
| 395 | E | 36 | Very low | 44.1 | Very low | 131 Ų | 131 | 116 Ų | 116 | 61% | 0.612 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.7 | -52.2 | -175.7 | -63.1 | -169.1 | 100.9 | 0 | 0 | 112.3 | A397 K398 Q399 | E395-A397 PolarHBondContact O-N 2.8Å; E395-A397 VanDerWaalsContact O-N 3.09Å; E395-K398 PolarHBondContact O-N 2.64Å; E395-Q399 PolarHBondContact O-N 3.45Å |
| 396 | N | 33.9 | Very low | 46.6 | Very low | 142 Ų | 142 | 108.6 Ų | 108.6 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.9 | -22.3 | -176.7 | -74 | -17 | 0 | 0 | 0 | 114 | ||
| 397 | A | 36.6 | Very low | 49.3 | Very low | 85 Ų | 85 | 108.6 Ų | 108.6 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.2 | -25.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E395 | E395-A397 PolarHBondContact O-N 2.8Å; E395-A397 VanDerWaalsContact O-N 3.09Å |
| 398 | K | 40.3 | Very low | 51.9 | Low | 168 Ų | 168 | 101.6 Ų | 101.6 | 73% | 0.73 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -82.3 | -13.5 | 174.3 | -78.2 | -175.8 | 171.2 | -176.1 | 0 | 113.3 | E395 M400 T401 | E395-K398 PolarHBondContact O-N 2.64Å; K398-M400 PolarHBondContact O-N 3.13Å; K398-T401 PolarHBondContact O-N 3.48Å |
| 399 | Q | 31.4 | Very low | 54.8 | Low | 137 Ų | 137 | 100.6 Ų | 100.6 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | trans | -81.5 | -5 | -171.9 | -98.1 | 173.9 | 3 | 0 | 0 | 116 | E395 T401 | E395-Q399 PolarHBondContact O-N 3.45Å; Q399-T401 PolarHBondContact O-N 3.24Å; Q399-T401 VanDerWaalsContact O-N 3.07Å | ||
| 400 | M | 35.1 | Very low | 57.4 | Low | 183 Ų | 183 | 97.8 Ų | 97.8 | 90% | 0.901 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -78.8 | 67.1 | 149.4 | -76.8 | -177.1 | 62.1 | 0 | 0 | 108.6 | K398 A402 | K398-M400 PolarHBondContact O-N 3.13Å; M400-A402 PolarHBondContact O-N 3.15Å; M400-A402 VanDerWaalsContact O-N 3.13Å |
| 401 | T | 41.2 | Very low | 60.1 | Low | 106 Ų | 106 | 90.1 Ų | 90.1 | 65% | 0.65 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 116.3 | -177.3 | 49.3 | 0 | 0 | 0 | 0 | 110 | K398 Q399 I403 | K398-T401 PolarHBondContact O-N 3.48Å; Q399-T401 PolarHBondContact O-N 3.24Å; Q399-T401 VanDerWaalsContact O-N 3.07Å; T401-I403 PolarHBondContact O-N 3.15Å; T401-I403 VanDerWaalsContact O-N 3.16Å |
| 402 | A | 49.3 | Very low | 63.2 | Low | 99 Ų | 99 | 88 Ų | 88 | 82% | 0.818 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 121 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | M400 S404 | M400-A402 PolarHBondContact O-N 3.15Å; M400-A402 VanDerWaalsContact O-N 3.13Å; A402-S404 PolarHBondContact O-N 3.16Å |
| 403 | I | 63.2 | Low | 65.9 | Low | 125 Ų | 125 | 83.1 Ų | 83.1 | 64% | 0.641 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 126.5 | 170.1 | -61.1 | 175.5 | 0 | 0 | 0 | 106 | T401 A405 Q407 D408 | T401-I403 PolarHBondContact O-N 3.15Å; T401-I403 VanDerWaalsContact O-N 3.16Å; I403-A405 PolarHBondContact O-N 3.26Å; I403-Q407 HydrophobicContact CG2-CB 3.79Å; I403-D408 HydrophobicContact CG2-CB 4.43Å |
| 404 | S | 85.3 | Confident | 68.6 | Low | 21 Ų | 21 | 77.1 Ų | 77.1 | 15% | 0.147 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -47.3 | 138.3 | 173.6 | 161 | 0 | 0 | 0 | 0 | 110.4 | D380 A402 L406 Q407 D408 | D380-S404 VanDerWaalsContact CG-OG 3.25Å; D380-S404 VanDerWaalsContact OD1-CB 3.29Å; D380-S404 WeakPolarHBondContact OD1-CB 3.41Å; D380-S404 PolarHBondContact OD1-OG 2.78Å; D380-S404 WeakPolarHBondContact OD2-CB 3.27Å; D380-S404 PolarHBondContact OD2-OG 2.78Å; A402-S404 PolarHBondContact O-N 3.16Å; S404-L406 PolarHBondContact O-N 3.09Å; S404-L406 PolarHBondContact OG-N 3.41Å; S404-Q407 CarbonylContact O-C 3.55Å; S404-Q407 WeakPolarHBondContact O-CA 3.15Å; S404-Q407 PolarHBondContact O-N 3.47Å; S404-D408 PolarHBondContact O-N 2.84Å |
| 405 | A | 88.8 | Confident | 71.4 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 12% | 0.124 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V331 T376 I403 C411 F449 | V331-A405 HydrophobicContact CB-CB 3.62Å; V331-A405 HydrophobicContact CG1-CB 3.57Å; V331-A405 HydrophobicContact CG2-CB 4.27Å; T376-A405 HydrophobicContact CG2-CB 4.31Å; I403-A405 PolarHBondContact O-N 3.26Å; A405-C411 WeakPolarHBondContact O-CB 3.44Å; A405-F449 VanDerWaalsContact O-CE1 3.25Å; A405-F449 WeakPolarHBondContact O-CE1 3.25Å |
| 406 | L | 92.2 | Very high | 74.3 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -17 | 172 | -58.7 | 178.4 | 0 | 0 | 0 | 113.4 | L373 T376 A377 S404 R448 F449 | L373-L406 HydrophobicContact CB-CD2 4.36Å; L373-L406 HydrophobicContact CD2-CD2 3.67Å; T376-L406 HydrophobicContact CG2-CD1 4.15Å; T376-L406 HydrophobicContact CG2-CG 3.92Å; A377-L406 HydrophobicContact CB-CD1 3.61Å; S404-L406 PolarHBondContact O-N 3.09Å; S404-L406 PolarHBondContact OG-N 3.41Å; L406-R448 HydrophobicContact CD2-CB 3.92Å; L406-F449 HydrophobicContact CD2-CE1 4.29Å; L406-F449 HydrophobicContact CD2-CE2 4.21Å; L406-F449 HydrophobicContact CD2-CZ 4.09Å; L406-F449 WeakPolarHBondContact O-CD1 3.36Å |
| 407 | Q | 93 | Very high | 77.4 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -16.8 | 176 | -63.2 | -60.8 | -30.9 | 0 | 0 | 113.1 | I403 S404 D450 | I403-Q407 HydrophobicContact CG2-CB 3.79Å; S404-Q407 CarbonylContact O-C 3.55Å; S404-Q407 WeakPolarHBondContact O-CA 3.15Å; S404-Q407 PolarHBondContact O-N 3.47Å; Q407-D450 PolarHBondContact NE2-OD2 3.2Å |
| 408 | D | 93.8 | Very high | 80.3 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | trans | -75.3 | 122.3 | 170.2 | 172.1 | 35.8 | 0 | 0 | 0 | 112.1 | Q332 I403 S404 E410 C411 | Q332-D408 PolarHBondContact NE2-OD2 3.03Å; I403-D408 HydrophobicContact CG2-CB 4.43Å; S404-D408 PolarHBondContact O-N 2.84Å; D408-E410 VanDerWaalsContact C-N 3.34Å; D408-E410 PolarHBondContact OD1-N 3.16Å; D408-E410 WeakPolarHBondContact OD2-CB 3.29Å; D408-C411 HydrophobicContact CB-CB 4.38Å; D408-C411 PolarHBondContact OD2-N 2.96Å; D408-C411 PolarHBondContact OD2-SG 3.15Å | ||
| 409 | P | 95.2 | Very high | 83.1 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.7 | -18.9 | 174.6 | 31.9 | -36.8 | 0 | 0 | 0 | 114.4 | F412 A413 V453 K456 V457 P566 | P409-F412 PolarHBondContact O-N 2.91Å; P409-A413 WeakPolarHBondContact O-CB 3.3Å; P409-A413 PolarHBondContact O-N 3.03Å; P409-V453 HydrophobicContact CB-CG1 4.29Å; P409-K456 HydrophobicContact CB-CB 3.85Å; P409-K456 HydrophobicContact CB-CD 4.3Å; P409-K456 HydrophobicContact CG-CB 4.19Å; P409-K456 HydrophobicContact CG-CD 4.09Å; P409-V457 HydrophobicContact CB-CG2 3.85Å; P409-V457 WeakPolarHBondContact O-CG2 3.25Å; P409-P566 HydrophobicContact CB-CG 3.8Å; P409-P566 HydrophobicContact CG-CG 4.09Å |
| 410 | E | 95.9 | Very high | 86.3 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69 | -43.1 | 174.8 | -67.1 | -76 | -167.6 | 0 | 0 | 110.8 | D408 F412 A413 H414 P566 | D408-E410 VanDerWaalsContact C-N 3.34Å; D408-E410 PolarHBondContact OD1-N 3.16Å; D408-E410 WeakPolarHBondContact OD2-CB 3.29Å; E410-F412 PolarHBondContact O-N 3.27Å; E410-A413 CarbonylContact O-C 3.59Å; E410-A413 WeakPolarHBondContact O-CA 3.45Å; E410-A413 WeakPolarHBondContact O-CB 3.29Å; E410-A413 PolarHBondContact O-N 3.26Å; E410-H414 PolarHBondContact O-CD2 3.18Å; E410-H414 PolarHBondContact O-N 2.66Å; E410-P566 VanDerWaalsContact CD-CB 3.41Å; E410-P566 HydrophobicContact CG-CB 4.29Å; E410-P566 HydrophobicContact CG-CG 4.37Å; E410-P566 WeakPolarHBondContact OE2-CB 3.36Å |
| 411 | C | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.7 | -41.2 | 170 | -72.4 | 0 | 0 | 0 | 0 | 112.8 | Q332 L335 A405 D408 L415 F449 | Q332-C411 VanDerWaalsContact CA-SG 3.54Å; Q332-C411 VanDerWaalsContact CB-SG 3.53Å; L335-C411 HydrophobicContact CD1-CB 3.94Å; A405-C411 WeakPolarHBondContact O-CB 3.44Å; D408-C411 HydrophobicContact CB-CB 4.38Å; D408-C411 PolarHBondContact OD2-N 2.96Å; D408-C411 PolarHBondContact OD2-SG 3.15Å; C411-L415 PolarHBondContact O-N 2.98Å; C411-L415 VanDerWaalsContact O-N 3.13Å; C411-F449 HydrophobicContact CB-CE1 3.94Å; C411-F449 HydrophobicContact CB-CZ 4.25Å |
| 412 | F | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.6 | -41.3 | 173.8 | -171.3 | -115.8 | 0 | 0 | 0 | 112 | P409 E410 H414 L415 L416 L446 F449 R454 V457 | P409-F412 PolarHBondContact O-N 2.91Å; E410-F412 PolarHBondContact O-N 3.27Å; F412-H414 VanDerWaalsContact C-N 3.34Å; F412-H414 PolarHBondContact O-N 2.72Å; F412-L415 PolarHBondContact O-N 3.29Å; F412-L416 HydrophobicContact CD1-CD1 3.94Å; F412-L416 HydrophobicContact CD1-CG 4.32Å; F412-L416 HydrophobicContact CE1-CD1 3.56Å; F412-L416 HydrophobicContact CE1-CD2 4.3Å; F412-L416 HydrophobicContact CE1-CG 4.03Å; F412-L416 HydrophobicContact CE2-CD2 4.38Å; F412-L416 HydrophobicContact CZ-CD1 4.08Å; F412-L416 HydrophobicContact CZ-CD2 3.95Å; F412-L416 HydrophobicContact CZ-CG 4.12Å; F412-L416 WeakPolarHBondContact O-CG 3.26Å; F412-L416 PolarHBondContact O-N 2.78Å; F412-L446 HydrophobicContact CE2-CD2 3.56Å; F412-L446 HydrophobicContact CZ-CD2 3.86Å; F412-F449 HydrophobicContact CB-CD1 3.77Å; F412-F449 HydrophobicContact CB-CE1 3.89Å; F412-F449 HydrophobicContact CB-CG 4.25Å; F412-F449 HydrophobicContact CD2-CB 3.9Å; F412-F449 HydrophobicContact CD2-CD1 4.03Å; F412-F449 AromaticContact CD2-CD2 3.73Å; F412-F449 HydrophobicContact CD2-CD2 3.73Å; F412-F449 HydrophobicContact CD2-CE1 4.48Å; F412-F449 HydrophobicContact CD2-CE2 4.25Å; F412-F449 AromaticContact CD2-CG 3.61Å; F412-F449 HydrophobicContact CD2-CG 3.61Å; F412-F449 HydrophobicContact CE2-CB 4.33Å; F412-F449 HydrophobicContact CE2-CD2 4.37Å; F412-F449 HydrophobicContact CE2-CG 4.4Å; F412-F449 HydrophobicContact CG-CD1 4.28Å; F412-F449 HydrophobicContact CG-CG 4.27Å; F412-R454 HydrophobicContact CD1-CB 4.08Å; F412-R454 HydrophobicContact CD1-CG 3.87Å; F412-R454 HydrophobicContact CD2-CG 3.88Å; F412-R454 HydrophobicContact CE1-CB 3.61Å; F412-R454 HydrophobicContact CE1-CG 3.54Å; F412-R454 HydrophobicContact CE2-CB 4.49Å; F412-R454 VanDerWaalsContact CE2-CD 3.42Å; F412-R454 HydrophobicContact CE2-CG 3.55Å; F412-R454 HydrophobicContact CG-CG 4.04Å; F412-R454 HydrophobicContact CZ-CB 3.87Å; F412-R454 HydrophobicContact CZ-CG 3.4Å; F412-V457 HydrophobicContact CB-CG2 4.39Å; F412-V457 HydrophobicContact CD1-CB 4.32Å; F412-V457 HydrophobicContact CD1-CG2 3.71Å |
| 413 | A | 97.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P409 E410 L416 R417 V457 P566 V568 | P409-A413 WeakPolarHBondContact O-CB 3.3Å; P409-A413 PolarHBondContact O-N 3.03Å; E410-A413 CarbonylContact O-C 3.59Å; E410-A413 WeakPolarHBondContact O-CA 3.45Å; E410-A413 WeakPolarHBondContact O-CB 3.29Å; E410-A413 PolarHBondContact O-N 3.26Å; A413-L416 PolarHBondContact O-N 3.17Å; A413-R417 WeakPolarHBondContact O-CG 3.39Å; A413-R417 PolarHBondContact O-N 2.72Å; A413-V457 HydrophobicContact CB-CG1 4.13Å; A413-P566 HydrophobicContact CB-CB 4.22Å; A413-P566 HydrophobicContact CB-CG 4.26Å; A413-V568 HydrophobicContact CB-CG2 3.58Å |
| 414 | H | 98.3 | Very high | 96 | Very high | 27 Ų | 27 | 21.1 Ų | 21.1 | 13% | 0.125 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -47 | 173 | -64.9 | -49.1 | 0 | 0 | 0 | 111.8 | L335 A339 E410 F412 L416 R417 F418 | L335-H414 HydrophobicContact CB-CB 3.92Å; A339-H414 HydrophobicContact CB-CB 4.2Å; A339-H414 WeakPolarHBondContact CB-O 2.99Å; E410-H414 PolarHBondContact O-CD2 3.18Å; E410-H414 PolarHBondContact O-N 2.66Å; F412-H414 VanDerWaalsContact C-N 3.34Å; F412-H414 PolarHBondContact O-N 2.72Å; H414-L416 VanDerWaalsContact C-N 3.27Å; H414-L416 PolarHBondContact O-N 2.82Å; H414-R417 PolarHBondContact O-N 2.93Å; H414-R417 VanDerWaalsContact O-N 3.11Å; H414-F418 PolarHBondContact O-N 3.48Å |
| 415 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57 | -40 | 175.2 | -175.8 | 66.1 | 0 | 0 | 0 | 112.1 | L335 I369 C411 F412 Y419 F449 | L335-L415 HydrophobicContact CD2-CD1 4.48Å; I369-L415 HydrophobicContact CG2-CD1 3.9Å; C411-L415 PolarHBondContact O-N 2.98Å; C411-L415 VanDerWaalsContact O-N 3.13Å; F412-L415 PolarHBondContact O-N 3.29Å; L415-Y419 HydrophobicContact CD1-CD2 4.15Å; L415-Y419 HydrophobicContact CD1-CE2 3.83Å; L415-Y419 HydrophobicContact CG-CD2 4.39Å; L415-Y419 HydrophobicContact CG-CE2 4.39Å; L415-Y419 WeakPolarHBondContact O-CD2 3.42Å; L415-Y419 PolarHBondContact O-N 3.22Å; L415-F449 HydrophobicContact CD2-CD2 4.31Å; L415-F449 HydrophobicContact CD2-CE2 3.77Å |
| 416 | L | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.8 | -40.2 | 176 | -66.9 | -178 | 0 | 0 | 0 | 112.6 | F412 A413 H414 Y419 D420 L446 V457 I459 V568 F570 M575 L582 | F412-L416 HydrophobicContact CD1-CD1 3.94Å; F412-L416 HydrophobicContact CD1-CG 4.32Å; F412-L416 HydrophobicContact CE1-CD1 3.56Å; F412-L416 HydrophobicContact CE1-CD2 4.3Å; F412-L416 HydrophobicContact CE1-CG 4.03Å; F412-L416 HydrophobicContact CE2-CD2 4.38Å; F412-L416 HydrophobicContact CZ-CD1 4.08Å; F412-L416 HydrophobicContact CZ-CD2 3.95Å; F412-L416 HydrophobicContact CZ-CG 4.12Å; F412-L416 WeakPolarHBondContact O-CG 3.26Å; F412-L416 PolarHBondContact O-N 2.78Å; A413-L416 PolarHBondContact O-N 3.17Å; H414-L416 VanDerWaalsContact C-N 3.27Å; H414-L416 PolarHBondContact O-N 2.82Å; L416-Y419 PolarHBondContact O-N 3.11Å; L416-D420 WeakPolarHBondContact O-CB 3.29Å; L416-D420 PolarHBondContact O-N 2.91Å; L416-L446 HydrophobicContact CD2-CD2 4.09Å; L416-V457 HydrophobicContact CD1-CG1 4.42Å; L416-I459 HydrophobicContact CD1-CD1 4.06Å; L416-I459 HydrophobicContact CD1-CG1 4.48Å; L416-V568 HydrophobicContact CB-CG1 4.43Å; L416-F570 HydrophobicContact CB-CE1 4Å; L416-F570 HydrophobicContact CB-CZ 4.19Å; L416-F570 HydrophobicContact CD1-CZ 4.28Å; L416-F570 HydrophobicContact CD2-CZ 4.49Å; L416-M575 HydrophobicContact CB-CE 4.5Å; L416-M575 HydrophobicContact CD2-CE 3.99Å; L416-L582 HydrophobicContact CD2-CB 4.49Å; L416-L582 HydrophobicContact CD2-CD1 4.08Å; L416-L582 HydrophobicContact CD2-CD2 3.87Å; L416-L582 HydrophobicContact CD2-CG 4.36Å |
| 417 | R | 98.4 | Very high | 97.3 | Very high | 94 Ų | 94 | 23.1 Ų | 23.1 | 36% | 0.355 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.5 | -37.6 | 175.8 | -71.9 | 170.2 | 78.5 | 128.8 | 0.7 | 112.4 | A339 A413 H414 D420 G421 V568 | A339-R417 HydrophobicContact CB-CB 4.01Å; A413-R417 WeakPolarHBondContact O-CG 3.39Å; A413-R417 PolarHBondContact O-N 2.72Å; H414-R417 PolarHBondContact O-N 2.93Å; H414-R417 VanDerWaalsContact O-N 3.11Å; R417-D420 PolarHBondContact O-N 3.15Å; R417-G421 PolarHBondContact O-N 2.99Å; R417-V568 HydrophobicContact CG-CG1 4.12Å |
| 418 | F | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -52.7 | 174.3 | 172.9 | -101 | 0 | 0 | 0 | 111.7 | W338 A339 A342 F361 I364 A365 I369 H414 D420 G421 I422 | W338-F418 HydrophobicContact CB-CD2 3.89Å; W338-F418 HydrophobicContact CB-CE2 4.06Å; A339-F418 HydrophobicContact CB-CB 4.23Å; A342-F418 HydrophobicContact CB-CD2 4.02Å; A342-F418 WeakPolarHBondContact CB-O 3.42Å; F361-F418 AromaticContact CD1-CE2 3.76Å; F361-F418 HydrophobicContact CD1-CE2 3.76Å; F361-F418 HydrophobicContact CD1-CZ 4.23Å; F361-F418 HydrophobicContact CE1-CE2 4.03Å; I364-F418 HydrophobicContact CB-CZ 4.42Å; I364-F418 HydrophobicContact CG2-CE2 3.88Å; I364-F418 HydrophobicContact CG2-CZ 3.71Å; A365-F418 HydrophobicContact CB-CE1 3.68Å; A365-F418 HydrophobicContact CB-CZ 3.9Å; I369-F418 HydrophobicContact CD1-CD1 4.18Å; I369-F418 HydrophobicContact CD1-CE1 3.92Å; I369-F418 HydrophobicContact CD1-CE2 4.44Å; I369-F418 HydrophobicContact CD1-CZ 4.05Å; H414-F418 PolarHBondContact O-N 3.48Å; F418-D420 VanDerWaalsContact C-N 3.34Å; F418-D420 PolarHBondContact O-N 2.83Å; F418-G421 PolarHBondContact O-N 3.32Å; F418-I422 HydrophobicContact CD1-CD1 4.16Å; F418-I422 HydrophobicContact CD2-CD1 4.28Å; F418-I422 HydrophobicContact CE1-CD1 3.7Å; F418-I422 HydrophobicContact CE2-CD1 3.85Å; F418-I422 HydrophobicContact CG-CD1 4.43Å; F418-I422 HydrophobicContact CZ-CD1 3.54Å; F418-I422 WeakPolarHBondContact O-CG1 3.4Å; F418-I422 PolarHBondContact O-N 2.89Å |
| 419 | Y | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.8 | -29.1 | 177.3 | -80.3 | -76.8 | 0 | 0 | 0 | 113.4 | A365 L415 L416 C423 W438 L442 | A365-Y419 HydrophobicContact CB-CE1 4.48Å; A365-Y419 PolarHBondContact O-OH 2.94Å; L415-Y419 HydrophobicContact CD1-CD2 4.15Å; L415-Y419 HydrophobicContact CD1-CE2 3.83Å; L415-Y419 HydrophobicContact CG-CD2 4.39Å; L415-Y419 HydrophobicContact CG-CE2 4.39Å; L415-Y419 WeakPolarHBondContact O-CD2 3.42Å; L415-Y419 PolarHBondContact O-N 3.22Å; L416-Y419 PolarHBondContact O-N 3.11Å; Y419-C423 VanDerWaalsContact O-CB 3.31Å; Y419-C423 WeakPolarHBondContact O-CB 3.43Å; Y419-C423 PolarHBondContact O-N 2.86Å; Y419-C423 PolarHBondContact O-SG 3.09Å; Y419-W438 HydrophobicContact CE1-CE3 4.39Å; Y419-L442 HydrophobicContact CD1-CD1 4.12Å; Y419-L442 HydrophobicContact CD2-CD1 3.52Å; Y419-L442 HydrophobicContact CE1-CB 4.02Å; Y419-L442 HydrophobicContact CE1-CD1 4.13Å; Y419-L442 HydrophobicContact CE2-CB 4.42Å; Y419-L442 HydrophobicContact CE2-CD1 3.51Å; Y419-L442 HydrophobicContact CG-CD1 3.83Å |
| 420 | D | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 174.5 | -170.8 | 48.3 | 0 | 0 | 0 | 112.6 | L416 R417 F418 I422 C423 K424 F570 Q571 S572 M575 | L416-D420 WeakPolarHBondContact O-CB 3.29Å; L416-D420 PolarHBondContact O-N 2.91Å; R417-D420 PolarHBondContact O-N 3.15Å; F418-D420 VanDerWaalsContact C-N 3.34Å; F418-D420 PolarHBondContact O-N 2.83Å; D420-I422 VanDerWaalsContact C-N 3.35Å; D420-I422 PolarHBondContact O-N 3.4Å; D420-C423 PolarHBondContact O-N 3.03Å; D420-K424 VanDerWaalsContact O-CB 3.23Å; D420-K424 WeakPolarHBondContact O-CB 3.26Å; D420-K424 PolarHBondContact O-N 3.36Å; D420-F570 HydrophobicContact CB-CD1 3.8Å; D420-F570 HydrophobicContact CB-CE1 4.17Å; D420-F570 WeakPolarHBondContact OD2-CA 3.32Å; D420-Q571 PolarHBondContact OD1-N 3.03Å; D420-Q571 PolarHBondContact OD2-N 3.03Å; D420-S572 VanDerWaalsContact OD1-CB 3.25Å; D420-S572 WeakPolarHBondContact OD1-CB 3.39Å; D420-S572 PolarHBondContact OD1-N 3.4Å; D420-S572 PolarHBondContact OD1-OG 3.28Å; D420-M575 HydrophobicContact CB-CB 4.32Å; D420-M575 HydrophobicContact CB-CG 3.89Å; D420-M575 WeakPolarHBondContact OD1-CB 3.25Å |
| 421 | G | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A342 R417 F418 K424 W425 | A342-G421 WeakPolarHBondContact O-CA 3.39Å; R417-G421 PolarHBondContact O-N 2.99Å; F418-G421 PolarHBondContact O-N 3.32Å; G421-K424 PolarHBondContact O-N 3.2Å; G421-W425 WeakPolarHBondContact O-CB 3.38Å; G421-W425 PolarHBondContact O-N 3.35Å |
| 422 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.4 | -38.4 | 177.3 | -61.6 | 171.7 | 0 | 0 | 0 | 111.8 | A342 F361 F418 D420 K424 E426 V433 L434 W438 | A342-I422 HydrophobicContact CB-CG1 4.35Å; F361-I422 HydrophobicContact CB-CD1 4.27Å; F361-I422 HydrophobicContact CD1-CD1 3.74Å; F361-I422 HydrophobicContact CD1-CG1 4.1Å; F361-I422 HydrophobicContact CE1-CD1 4.45Å; F361-I422 HydrophobicContact CE1-CG1 4.49Å; F361-I422 HydrophobicContact CG-CD1 4.27Å; F418-I422 HydrophobicContact CD1-CD1 4.16Å; F418-I422 HydrophobicContact CD2-CD1 4.28Å; F418-I422 HydrophobicContact CE1-CD1 3.7Å; F418-I422 HydrophobicContact CE2-CD1 3.85Å; F418-I422 HydrophobicContact CG-CD1 4.43Å; F418-I422 HydrophobicContact CZ-CD1 3.54Å; F418-I422 WeakPolarHBondContact O-CG1 3.4Å; F418-I422 PolarHBondContact O-N 2.89Å; D420-I422 VanDerWaalsContact C-N 3.35Å; D420-I422 PolarHBondContact O-N 3.4Å; I422-K424 VanDerWaalsContact C-N 3.27Å; I422-K424 PolarHBondContact O-N 2.89Å; I422-E426 PolarHBondContact O-N 3.16Å; I422-V433 HydrophobicContact CG2-CG1 3.93Å; I422-L434 HydrophobicContact CG2-CD2 4.01Å; I422-L434 HydrophobicContact CG2-CG 4.44Å; I422-W438 HydrophobicContact CD1-CH2 4.34Å; I422-W438 HydrophobicContact CD1-CZ3 3.87Å; I422-W438 HydrophobicContact CG2-CH2 4.12Å; I422-W438 HydrophobicContact CG2-CZ3 4.05Å |
| 423 | C | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -36.3 | 171.5 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | Y419 D420 L434 S572 K574 M575 | Y419-C423 VanDerWaalsContact O-CB 3.31Å; Y419-C423 WeakPolarHBondContact O-CB 3.43Å; Y419-C423 PolarHBondContact O-N 2.86Å; Y419-C423 PolarHBondContact O-SG 3.09Å; D420-C423 PolarHBondContact O-N 3.03Å; C423-L434 HydrophobicContact CB-CD1 4.19Å; C423-L434 WeakPolarHBondContact SG-CD1 3.41Å; C423-S572 VanDerWaalsContact CB-CB 3.48Å; C423-S572 WeakPolarHBondContact CB-OG 3.49Å; C423-K574 HydrophobicContact CB-CB 4.05Å; C423-M575 HydrophobicContact CB-CG 4.25Å |
| 424 | K | 98.1 | Very high | 96.9 | Very high | 59 Ų | 59 | 29.2 Ų | 29.2 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -76.9 | -36.5 | -178.3 | -178 | 54.7 | -177.1 | 154.9 | 0 | 112.5 | Q346 D420 G421 I422 E426 E427 Q571 | Q346-K424 HydrophobicContact CB-CB 3.95Å; Q346-K424 HydrophobicContact CB-CG 3.83Å; Q346-K424 HydrophobicContact CG-CG 4.23Å; D420-K424 VanDerWaalsContact O-CB 3.23Å; D420-K424 WeakPolarHBondContact O-CB 3.26Å; D420-K424 PolarHBondContact O-N 3.36Å; G421-K424 PolarHBondContact O-N 3.2Å; I422-K424 VanDerWaalsContact C-N 3.27Å; I422-K424 PolarHBondContact O-N 2.89Å; K424-E426 PolarHBondContact O-N 3.44Å; K424-E427 HydrophobicContact CD-CB 4.31Å; K424-E427 HydrophobicContact CD-CG 4.4Å; K424-E427 WeakPolarHBondContact CD-OE2 3.34Å; K424-E427 WeakPolarHBondContact CE-OE2 3.49Å; K424-E427 IonicContact NZ-OE2 2.71Å; K424-E427 PolarHBondContact NZ-OE2 2.96Å; K424-E427 WeakPolarHBondContact O-CB 3.35Å; K424-E427 PolarHBondContact O-N 2.96Å; K424-Q571 HydrophobicContact CD-CB 4.43Å; K424-Q571 HydrophobicContact CG-CB 4.25Å |
| 425 | W | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.6 | -30.7 | 170.5 | 179.2 | 40.7 | 0 | 0 | 0 | 112.8 | M345 Y350 I357 Y358 F361 G421 E427 S429 V433 | M345-W425 HydrophobicContact CE-CZ2 4.21Å; M345-W425 HydrophobicContact CG-CB 4.1Å; M345-W425 HydrophobicContact CG-CD2 3.49Å; M345-W425 VanDerWaalsContact CG-CD2 3.49Å; M345-W425 HydrophobicContact CG-CE3 3.94Å; M345-W425 HydrophobicContact CG-CG 3.57Å; M345-W425 HydrophobicContact CG-CZ2 4.32Å; M345-W425 HydrophobicContact SD-CD2 3.9Å; M345-W425 HydrophobicContact SD-CG 4.07Å; M345-W425 HydrophobicContact SD-CZ2 3.83Å; M345-W425 PolarHBondContact SD-NE1 3.31Å; Y350-W425 AromaticContact CD2-CH2 3.81Å; Y350-W425 HydrophobicContact CD2-CH2 3.81Å; Y350-W425 AromaticContact CD2-CZ2 3.49Å; Y350-W425 HydrophobicContact CD2-CZ2 3.49Å; Y350-W425 VanDerWaalsContact CD2-CZ2 3.49Å; Y350-W425 HydrophobicContact CE2-CH2 4.34Å; Y350-W425 HydrophobicContact CE2-CZ2 4.38Å; Y350-W425 HydrophobicContact CG-CH2 4.23Å; Y350-W425 AromaticContact CG-CZ2 3.88Å; Y350-W425 HydrophobicContact CG-CZ2 3.88Å; I357-W425 HydrophobicContact CG2-CH2 4.25Å; I357-W425 HydrophobicContact CG2-CZ2 4.22Å; Y358-W425 HydrophobicContact CD2-CH2 4.41Å; Y358-W425 HydrophobicContact CD2-CZ3 4.41Å; F361-W425 HydrophobicContact CD2-CZ3 4.49Å; G421-W425 WeakPolarHBondContact O-CB 3.38Å; G421-W425 PolarHBondContact O-N 3.35Å; W425-E427 VanDerWaalsContact C-N 3.34Å; W425-S429 PolarHBondContact O-OG 2.9Å; W425-V433 HydrophobicContact CD2-CG2 4.19Å; W425-V433 HydrophobicContact CE3-CG1 3.86Å; W425-V433 HydrophobicContact CE3-CG2 3.87Å; W425-V433 HydrophobicContact CZ3-CG1 3.84Å; W425-V433 HydrophobicContact CZ3-CG2 4.15Å |
| 426 | E | 97.5 | Very high | 96.4 | Very high | 27 Ų | 27 | 36 Ų | 36 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -20 | 175.5 | -165.2 | 177.1 | -134.8 | 0 | 0 | 113.6 | I422 K424 G428 S429 P432 V433 L434 K574 | I422-E426 PolarHBondContact O-N 3.16Å; K424-E426 PolarHBondContact O-N 3.44Å; E426-G428 PolarHBondContact O-N 2.85Å; E426-G428 VanDerWaalsContact O-N 3.13Å; E426-S429 WeakPolarHBondContact O-CB 3.41Å; E426-S429 PolarHBondContact O-N 3.09Å; E426-P432 WeakPolarHBondContact OE1-CA 3.4Å; E426-V433 HydrophobicContact CB-CB 4.21Å; E426-V433 HydrophobicContact CB-CG2 4.1Å; E426-V433 HydrophobicContact CG-CB 4.18Å; E426-V433 HydrophobicContact CG-CG2 4.22Å; E426-V433 PolarHBondContact OE1-N 3.05Å; E426-L434 PolarHBondContact OE1-N 2.86Å; E426-K574 IonicContact OE1-NZ 2.78Å; E426-K574 WeakPolarHBondContact OE2-CE 3.15Å; E426-K574 IonicContact OE2-NZ 2.67Å; E426-K574 PolarHBondContact OE2-NZ 3.41Å |
| 427 | E | 96.6 | Very high | 96.1 | Very high | 61 Ų | 61 | 36.9 Ų | 36.9 | 29% | 0.285 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 99.7 | -173.3 | -67.7 | 179.9 | -174.3 | 0 | 0 | 112.8 | K424 W425 S572 E573 | K424-E427 HydrophobicContact CD-CB 4.31Å; K424-E427 HydrophobicContact CD-CG 4.4Å; K424-E427 WeakPolarHBondContact CD-OE2 3.34Å; K424-E427 WeakPolarHBondContact CE-OE2 3.49Å; K424-E427 IonicContact NZ-OE2 2.71Å; K424-E427 PolarHBondContact NZ-OE2 2.96Å; K424-E427 WeakPolarHBondContact O-CB 3.35Å; K424-E427 PolarHBondContact O-N 2.96Å; W425-E427 VanDerWaalsContact C-N 3.34Å; E427-S572 WeakPolarHBondContact OE1-CA 3.45Å; E427-S572 WeakPolarHBondContact OE1-CB 3.28Å; E427-E573 PolarHBondContact OE1-N 3.39Å |
| 428 | G | 92.1 | Very high | 96 | Very high | 68 Ų | 68 | 32.4 Ų | 32.4 | 70% | 0.701 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 105.6 | -8.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E426 | E426-G428 PolarHBondContact O-N 2.85Å; E426-G428 VanDerWaalsContact O-N 3.13Å |
| 429 | S | 96.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | trans | -66.1 | 139.1 | 178.3 | -72.6 | 0 | 0 | 0 | 0 | 112.9 | N349 Y350 W425 E426 T431 | N349-S429 WeakPolarHBondContact CA-OG 3.43Å; Y350-S429 PolarHBondContact N-OG 3.44Å; W425-S429 PolarHBondContact O-OG 2.9Å; E426-S429 WeakPolarHBondContact O-CB 3.41Å; E426-S429 PolarHBondContact O-N 3.09Å; S429-T431 WeakPolarHBondContact CB-O 3.5Å; S429-T431 PolarHBondContact O-N 3.24Å | ||
| 430 | P | 94.7 | Very high | 95.5 | Very high | 83 Ų | 83 | 35 Ų | 35 | 54% | 0.539 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -69.2 | -20.1 | 177.5 | 29.7 | -37.2 | 0 | 0 | 0 | 113.2 | Y350 F351 | Y350-P430 WeakPolarHBondContact O-CD 3.29Å; F351-P430 HydrophobicContact CD1-CG 3.87Å; F351-P430 HydrophobicContact CD2-CG 4.31Å; F351-P430 HydrophobicContact CE1-CG 3.74Å; F351-P430 HydrophobicContact CE2-CG 4.18Å; F351-P430 HydrophobicContact CG-CG 4.15Å; F351-P430 HydrophobicContact CZ-CG 3.87Å |
| 431 | T | 92.1 | Very high | 95.4 | Very high | 47 Ų | 47 | 39 Ų | 39 | 29% | 0.288 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -124.2 | 139.5 | 176.5 | 24.9 | 0 | 0 | 0 | 0 | 110.9 | Y350 S429 | Y350-T431 WeakPolarHBondContact CD1-O 3.18Å; Y350-T431 PolarHBondContact O-OG1 2.81Å; S429-T431 WeakPolarHBondContact CB-O 3.5Å; S429-T431 PolarHBondContact O-N 3.24Å |
| 432 | P | 94.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 38.9 Ų | 38.9 | 66% | 0.656 | 23% | 0.233 | S | C | * | . | trans | -72.4 | 149.1 | 175.8 | 31.1 | -35.1 | 0 | 0 | 0 | 111.4 | E426 | E426-P432 WeakPolarHBondContact OE1-CA 3.4Š| ||
| 433 | V | 95.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | trans | -102.5 | -46.2 | 178.7 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | Y350 Y358 I422 W425 E426 W438 | Y350-V433 HydrophobicContact CD1-CB 4.49Å; Y350-V433 HydrophobicContact CD1-CG2 3.46Å; Y350-V433 VanDerWaalsContact CD1-CG2 3.46Å; Y350-V433 HydrophobicContact CE1-CG2 4.26Å; Y350-V433 HydrophobicContact CG-CG2 3.81Å; Y358-V433 HydrophobicContact CD2-CG1 4.16Å; Y358-V433 HydrophobicContact CE2-CG1 3.91Å; Y358-V433 PolarHBondContact OH-O 3.47Å; I422-V433 HydrophobicContact CG2-CG1 3.93Å; W425-V433 HydrophobicContact CD2-CG2 4.19Å; W425-V433 HydrophobicContact CE3-CG1 3.86Å; W425-V433 HydrophobicContact CE3-CG2 3.87Å; W425-V433 HydrophobicContact CZ3-CG1 3.84Å; W425-V433 HydrophobicContact CZ3-CG2 4.15Å; E426-V433 HydrophobicContact CB-CB 4.21Å; E426-V433 HydrophobicContact CB-CG2 4.1Å; E426-V433 HydrophobicContact CG-CB 4.18Å; E426-V433 HydrophobicContact CG-CG2 4.22Å; E426-V433 PolarHBondContact OE1-N 3.05Å; V433-W438 HydrophobicContact CG1-CZ2 4.12Å; V433-W438 PolarHBondContact O-NE1 3.47Å; V433-W438 VanDerWaalsContact O-NE1 3.08Å | ||
| 434 | L | 96.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | trans | -96.8 | 117.8 | -164.5 | -70.9 | 169.8 | 0 | 0 | 0 | 112.5 | I422 C423 E426 W438 K574 L596 | I422-L434 HydrophobicContact CG2-CD2 4.01Å; I422-L434 HydrophobicContact CG2-CG 4.44Å; C423-L434 HydrophobicContact CB-CD1 4.19Å; C423-L434 WeakPolarHBondContact SG-CD1 3.41Å; E426-L434 PolarHBondContact OE1-N 2.86Å; L434-W438 HydrophobicContact CD2-CB 3.93Å; L434-W438 HydrophobicContact CD2-CD2 3.72Å; L434-W438 HydrophobicContact CD2-CE3 4Å; L434-W438 HydrophobicContact CD2-CG 3.74Å; L434-K574 HydrophobicContact CD1-CD 4.09Å; L434-L596 HydrophobicContact CD1-CD1 3.95Å; L434-L596 HydrophobicContact CD1-CG 4.25Å; L434-L596 HydrophobicContact CD2-CD2 4.34Å; L434-L596 HydrophobicContact CD2-CG 4.45Å | ||
| 435 | H | 94.1 | Very high | 94.8 | Very high | 81 Ų | 81 | 40.5 Ų | 40.5 | 38% | 0.375 | 24% | 0.242 | S | C | . | . | trans | -130.4 | -179.6 | 177.3 | 67.8 | 97.1 | 0 | 0 | 0 | 112.4 | Y358 F362 G437 W438 A439 | Y358-H435 PolarHBondContact OH-CD2 3.04Å; Y358-H435 PolarHBondContact OH-NE2 3.3Å; Y358-H435 VanDerWaalsContact OH-NE2 3.17Å; F362-H435 AromaticContact CE2-CE1 3.85Å; F362-H435 AromaticContact CE2-NE2 3.47Å; F362-H435 WeakPolarHBondContact CE2-NE2 3.2Å; H435-G437 PolarHBondContact ND1-N 3.29Å; H435-G437 PolarHBondContact O-N 3.31Å; H435-W438 AromaticContact CD2-CD1 3.4Å; H435-W438 VanDerWaalsContact CD2-CD1 3.4Å; H435-W438 AromaticContact CD2-NE1 3.5Å; H435-W438 AromaticContact NE2-CD1 3.61Å; H435-W438 AromaticContact NE2-NE1 3.61Å; H435-W438 WeakPolarHBondContact O-CB 3.24Å; H435-W438 PolarHBondContact O-N 3.42Å; H435-A439 PolarHBondContact O-N 2.69Å | ||
| 436 | V | 91.2 | Very high | 94.6 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14.6 | -171.8 | 71.6 | 0 | 0 | 0 | 0 | 115.5 | T440 | V436-T440 PolarHBondContact O-N 3.41Å; V436-T440 PolarHBondContact O-OG1 2.8Å |
| 437 | G | 91.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -68 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | H435 A439 T440 Y441 | H435-G437 PolarHBondContact ND1-N 3.29Å; H435-G437 PolarHBondContact O-N 3.31Å; G437-A439 PolarHBondContact O-N 3.46Å; G437-A439 VanDerWaalsContact O-N 3.11Å; G437-T440 WeakPolarHBondContact O-CA 3.43Å; G437-T440 WeakPolarHBondContact O-CB 3.35Å; G437-T440 PolarHBondContact O-N 2.91Å; G437-Y441 PolarHBondContact O-N 3.45Å |
| 438 | W | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -41 | -48.1 | 171.4 | -59.7 | 87.8 | 0 | 0 | 0 | 113 | Y358 F361 F362 A365 N366 Y419 I422 V433 L434 H435 T440 Y441 L442 L596 | Y358-W438 AromaticContact CE2-CZ2 3.83Å; Y358-W438 HydrophobicContact CE2-CZ2 3.83Å; Y358-W438 AromaticContact CZ-NE1 3.99Å; Y358-W438 PolarHBondContact OH-NE1 2.93Å; Y358-W438 VanDerWaalsContact OH-NE1 3.13Å; F361-W438 HydrophobicContact CB-CH2 4.02Å; F361-W438 WeakPolarHBondContact O-CH2 3.31Å; F361-W438 WeakPolarHBondContact O-CZ3 3.5Å; F362-W438 HydrophobicContact CB-CH2 4.24Å; F362-W438 HydrophobicContact CB-CZ2 3.99Å; F362-W438 HydrophobicContact CD2-CD2 4.26Å; F362-W438 AromaticContact CD2-CE2 3.56Å; F362-W438 AromaticContact CD2-CZ2 3.76Å; F362-W438 HydrophobicContact CD2-CZ2 3.76Å; F362-W438 AromaticContact CD2-NE1 3.5Å; F362-W438 AromaticContact CE2-NE1 3.78Å; F362-W438 HydrophobicContact CG-CZ2 4.36Å; A365-W438 HydrophobicContact CB-CE3 3.65Å; A365-W438 HydrophobicContact CB-CH2 4.46Å; A365-W438 HydrophobicContact CB-CZ3 3.41Å; A365-W438 VanDerWaalsContact CB-CZ3 3.41Å; N366-W438 VanDerWaalsContact OD1-CA 3.26Å; N366-W438 WeakPolarHBondContact OD1-CA 3.44Å; N366-W438 PolarHBondContact OD1-N 2.73Å; Y419-W438 HydrophobicContact CE1-CE3 4.39Å; I422-W438 HydrophobicContact CD1-CH2 4.34Å; I422-W438 HydrophobicContact CD1-CZ3 3.87Å; I422-W438 HydrophobicContact CG2-CH2 4.12Å; I422-W438 HydrophobicContact CG2-CZ3 4.05Å; V433-W438 HydrophobicContact CG1-CZ2 4.12Å; V433-W438 PolarHBondContact O-NE1 3.47Å; V433-W438 VanDerWaalsContact O-NE1 3.08Å; L434-W438 HydrophobicContact CD2-CB 3.93Å; L434-W438 HydrophobicContact CD2-CD2 3.72Å; L434-W438 HydrophobicContact CD2-CE3 4Å; L434-W438 HydrophobicContact CD2-CG 3.74Å; H435-W438 AromaticContact CD2-CD1 3.4Å; H435-W438 VanDerWaalsContact CD2-CD1 3.4Å; H435-W438 AromaticContact CD2-NE1 3.5Å; H435-W438 AromaticContact NE2-CD1 3.61Å; H435-W438 AromaticContact NE2-NE1 3.61Å; H435-W438 WeakPolarHBondContact O-CB 3.24Å; H435-W438 PolarHBondContact O-N 3.42Å; W438-T440 PolarHBondContact O-N 3.37Å; W438-T440 VanDerWaalsContact O-N 3.15Å; W438-Y441 PolarHBondContact O-N 3.3Å; W438-L442 WeakPolarHBondContact O-CB 3.43Å; W438-L442 PolarHBondContact O-N 2.85Å; W438-L596 HydrophobicContact CB-CD2 4.12Å |
| 439 | A | 93.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -18.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H435 G437 V443 K593 L596 T597 | H435-A439 PolarHBondContact O-N 2.69Å; G437-A439 PolarHBondContact O-N 3.46Å; G437-A439 VanDerWaalsContact O-N 3.11Å; A439-V443 WeakPolarHBondContact O-CG2 3.21Å; A439-K593 HydrophobicContact CB-CB 4.27Å; A439-K593 HydrophobicContact CB-CG 3.84Å; A439-K593 WeakPolarHBondContact O-CE 3.34Å; A439-K593 WeakPolarHBondContact O-CG 3.23Å; A439-L596 HydrophobicContact CB-CB 4.4Å; A439-L596 HydrophobicContact CB-CD2 3.75Å; A439-T597 HydrophobicContact CB-CG2 3.97Å |
| 440 | T | 93.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -84.3 | -45.4 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | V436 G437 W438 V443 Q444 K593 | V436-T440 PolarHBondContact O-N 3.41Å; V436-T440 PolarHBondContact O-OG1 2.8Å; G437-T440 WeakPolarHBondContact O-CA 3.43Å; G437-T440 WeakPolarHBondContact O-CB 3.35Å; G437-T440 PolarHBondContact O-N 2.91Å; W438-T440 PolarHBondContact O-N 3.37Å; W438-T440 VanDerWaalsContact O-N 3.15Å; T440-V443 PolarHBondContact O-N 3.02Å; T440-Q444 PolarHBondContact O-N 3.43Å; T440-K593 PolarHBondContact OG1-NZ 3.07Å |
| 441 | Y | 95.7 | Very high | 94.2 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -75.1 | -32.8 | 179.5 | -69.2 | -77.4 | 0 | 0 | 0 | 113.2 | N366 P370 G437 W438 V443 Q444 S445 | N366-Y441 HydrophobicContact CB-CD2 3.66Å; N366-Y441 HydrophobicContact CB-CE2 4Å; N366-Y441 HydrophobicContact CB-CG 4.08Å; N366-Y441 VanDerWaalsContact O-CD1 3.25Å; N366-Y441 WeakPolarHBondContact O-CD1 3.49Å; N366-Y441 WeakPolarHBondContact O-CE1 3.48Å; N366-Y441 WeakPolarHBondContact OD1-CD2 3.41Å; P370-Y441 HydrophobicContact CB-CD1 4.08Å; P370-Y441 HydrophobicContact CG-CD1 3.82Å; P370-Y441 HydrophobicContact CG-CG 4.28Å; G437-Y441 PolarHBondContact O-N 3.45Å; W438-Y441 PolarHBondContact O-N 3.3Å; Y441-V443 VanDerWaalsContact C-N 3.35Å; Y441-V443 PolarHBondContact O-N 3.09Å; Y441-Q444 WeakPolarHBondContact O-CB 3.26Å; Y441-Q444 PolarHBondContact O-N 3.3Å; Y441-Q444 VanDerWaalsContact O-N 3.14Å; Y441-S445 PolarHBondContact O-N 3.22Å; Y441-S445 PolarHBondContact O-OG 3.44Å |
| 442 | L | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -52.6 | -52.4 | 167.8 | 172.3 | 62.5 | 0 | 0 | 0 | 110.9 | Y419 W438 Q444 S445 L446 I592 L596 | Y419-L442 HydrophobicContact CD1-CD1 4.12Å; Y419-L442 HydrophobicContact CD2-CD1 3.52Å; Y419-L442 HydrophobicContact CE1-CB 4.02Å; Y419-L442 HydrophobicContact CE1-CD1 4.13Å; Y419-L442 HydrophobicContact CE2-CB 4.42Å; Y419-L442 HydrophobicContact CE2-CD1 3.51Å; Y419-L442 HydrophobicContact CG-CD1 3.83Å; W438-L442 WeakPolarHBondContact O-CB 3.43Å; W438-L442 PolarHBondContact O-N 2.85Å; L442-Q444 VanDerWaalsContact C-N 3.29Å; L442-Q444 PolarHBondContact O-N 3.12Å; L442-S445 PolarHBondContact O-N 3.36Å; L442-L446 HydrophobicContact CD1-CD1 3.75Å; L442-L446 HydrophobicContact CD1-CD2 4.2Å; L442-L446 HydrophobicContact CD1-CG 3.77Å; L442-L446 HydrophobicContact CG-CD1 3.8Å; L442-L446 HydrophobicContact CG-CG 4.23Å; L442-L446 WeakPolarHBondContact O-CB 3.38Å; L442-L446 WeakPolarHBondContact O-CG 3.38Å; L442-L446 PolarHBondContact O-N 2.84Å; L442-I592 HydrophobicContact CD2-CG2 3.72Å; L442-I592 HydrophobicContact CG-CG2 4.25Å; L442-L596 HydrophobicContact CD2-CD1 3.99Å; L442-L596 HydrophobicContact CD2-CD2 3.81Å; L442-L596 HydrophobicContact CD2-CG 4.35Å |
| 443 | V | 94.7 | Very high | 94.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 179.6 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | A439 T440 Y441 S447 V587 I592 K593 | A439-V443 WeakPolarHBondContact O-CG2 3.21Å; T440-V443 PolarHBondContact O-N 3.02Å; Y441-V443 VanDerWaalsContact C-N 3.35Å; Y441-V443 PolarHBondContact O-N 3.09Å; V443-S447 VanDerWaalsContact O-CB 3.32Å; V443-S447 WeakPolarHBondContact O-CB 3.31Å; V443-S447 PolarHBondContact O-N 2.92Å; V443-S447 VanDerWaalsContact O-N 3.13Å; V443-S447 PolarHBondContact O-OG 2.86Å; V443-V587 HydrophobicContact CG1-CG1 4.11Å; V443-I592 HydrophobicContact CG2-CB 4.04Å; V443-I592 HydrophobicContact CG2-CG2 3.71Å; V443-K593 HydrophobicContact CG2-CG 4.44Å |
| 444 | Q | 94.1 | Very high | 94.1 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63 | -50 | 175.1 | 177 | 171 | -51.2 | 0 | 0 | 111.5 | T440 Y441 L442 S447 R448 | T440-Q444 PolarHBondContact O-N 3.43Å; Y441-Q444 WeakPolarHBondContact O-CB 3.26Å; Y441-Q444 PolarHBondContact O-N 3.3Å; Y441-Q444 VanDerWaalsContact O-N 3.14Å; L442-Q444 VanDerWaalsContact C-N 3.29Å; L442-Q444 PolarHBondContact O-N 3.12Å; Q444-S447 PolarHBondContact O-N 2.76Å; Q444-S447 VanDerWaalsContact O-N 3.17Å; Q444-R448 PolarHBondContact O-N 3.41Å |
| 445 | S | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | -179.6 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | Y441 L442 S447 R448 F449 | Y441-S445 PolarHBondContact O-N 3.22Å; Y441-S445 PolarHBondContact O-OG 3.44Å; L442-S445 PolarHBondContact O-N 3.36Å; S445-S447 PolarHBondContact O-N 3Å; S445-R448 WeakPolarHBondContact O-CB 3.39Å; S445-R448 PolarHBondContact O-N 2.69Å; S445-F449 WeakPolarHBondContact O-CD2 3.39Å |
| 446 | L | 94.8 | Very high | 94 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -31.4 | 172.3 | -68.6 | 174.2 | 0 | 0 | 0 | 112.6 | F412 L416 L442 R448 R454 L582 V587 I592 | F412-L446 HydrophobicContact CE2-CD2 3.56Å; F412-L446 HydrophobicContact CZ-CD2 3.86Å; L416-L446 HydrophobicContact CD2-CD2 4.09Å; L442-L446 HydrophobicContact CD1-CD1 3.75Å; L442-L446 HydrophobicContact CD1-CD2 4.2Å; L442-L446 HydrophobicContact CD1-CG 3.77Å; L442-L446 HydrophobicContact CG-CD1 3.8Å; L442-L446 HydrophobicContact CG-CG 4.23Å; L442-L446 WeakPolarHBondContact O-CB 3.38Å; L442-L446 WeakPolarHBondContact O-CG 3.38Å; L442-L446 PolarHBondContact O-N 2.84Å; L446-R448 VanDerWaalsContact C-N 3.28Å; L446-R448 PolarHBondContact O-N 3.14Å; L446-R454 PolarHBondContact O-NE 2.76Å; L446-L582 HydrophobicContact CD1-CD2 3.62Å; L446-L582 HydrophobicContact CD2-CD2 3.75Å; L446-L582 HydrophobicContact CG-CD2 4.36Å; L446-V587 HydrophobicContact CB-CG1 4.41Å; L446-I592 HydrophobicContact CD1-CD1 3.95Å; L446-I592 HydrophobicContact CD1-CG2 4.48Å |
| 447 | S | 93.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -0.8 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | V443 Q444 S445 | V443-S447 VanDerWaalsContact O-CB 3.32Å; V443-S447 WeakPolarHBondContact O-CB 3.31Å; V443-S447 PolarHBondContact O-N 2.92Å; V443-S447 VanDerWaalsContact O-N 3.13Å; V443-S447 PolarHBondContact O-OG 2.86Å; Q444-S447 PolarHBondContact O-N 2.76Å; Q444-S447 VanDerWaalsContact O-N 3.17Å; S445-S447 PolarHBondContact O-N 3Å |
| 448 | R | 94.4 | Very high | 94.2 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -19.8 | 170.4 | -64.2 | -69.3 | -178.8 | -174.3 | -1 | 113.3 | L373 L406 Q444 S445 L446 | L373-R448 HydrophobicContact CB-CB 4.32Å; L373-R448 HydrophobicContact CB-CG 3.99Å; L406-R448 HydrophobicContact CD2-CB 3.92Å; Q444-R448 PolarHBondContact O-N 3.41Å; S445-R448 WeakPolarHBondContact O-CB 3.39Å; S445-R448 PolarHBondContact O-N 2.69Å; L446-R448 VanDerWaalsContact C-N 3.28Å; L446-R448 PolarHBondContact O-N 3.14Å |
| 449 | F | 94.5 | Very high | 94 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -99.1 | 126.2 | 179.4 | -66.1 | -96.1 | 0 | 0 | 0 | 110.5 | L373 A405 L406 C411 F412 L415 S445 V453 R454 | L373-F449 HydrophobicContact CD1-CE2 4.08Å; L373-F449 HydrophobicContact CD2-CE2 3.96Å; L373-F449 HydrophobicContact CD2-CZ 3.94Å; A405-F449 VanDerWaalsContact O-CE1 3.25Å; A405-F449 WeakPolarHBondContact O-CE1 3.25Å; L406-F449 HydrophobicContact CD2-CE1 4.29Å; L406-F449 HydrophobicContact CD2-CE2 4.21Å; L406-F449 HydrophobicContact CD2-CZ 4.09Å; L406-F449 WeakPolarHBondContact O-CD1 3.36Å; C411-F449 HydrophobicContact CB-CE1 3.94Å; C411-F449 HydrophobicContact CB-CZ 4.25Å; F412-F449 HydrophobicContact CB-CD1 3.77Å; F412-F449 HydrophobicContact CB-CE1 3.89Å; F412-F449 HydrophobicContact CB-CG 4.25Å; F412-F449 HydrophobicContact CD2-CB 3.9Å; F412-F449 HydrophobicContact CD2-CD1 4.03Å; F412-F449 AromaticContact CD2-CD2 3.73Å; F412-F449 HydrophobicContact CD2-CD2 3.73Å; F412-F449 HydrophobicContact CD2-CE1 4.48Å; F412-F449 HydrophobicContact CD2-CE2 4.25Å; F412-F449 AromaticContact CD2-CG 3.61Å; F412-F449 HydrophobicContact CD2-CG 3.61Å; F412-F449 HydrophobicContact CE2-CB 4.33Å; F412-F449 HydrophobicContact CE2-CD2 4.37Å; F412-F449 HydrophobicContact CE2-CG 4.4Å; F412-F449 HydrophobicContact CG-CD1 4.28Å; F412-F449 HydrophobicContact CG-CG 4.27Å; L415-F449 HydrophobicContact CD2-CD2 4.31Å; L415-F449 HydrophobicContact CD2-CE2 3.77Å; S445-F449 WeakPolarHBondContact O-CD2 3.39Å; F449-V453 HydrophobicContact CD1-CG1 4.29Å; F449-R454 HydrophobicContact CB-CG 3.63Å; F449-R454 PolarHBondContact O-NE 3.36Å |
| 450 | D | 92.8 | Very high | 93.9 | Very high | 89 Ų | 89 | 49.6 Ų | 49.6 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | trans | -60.2 | 150.1 | 178.3 | -84 | -47.7 | 0 | 0 | 0 | 112 | Q407 Q452 V453 R454 | Q407-D450 PolarHBondContact NE2-OD2 3.2Å; D450-Q452 PolarHBondContact O-N 3.43Å; D450-V453 HydrophobicContact CB-CG2 4.01Å; D450-V453 WeakPolarHBondContact O-CB 3.37Å; D450-V453 PolarHBondContact O-N 2.9Å; D450-R454 WeakPolarHBondContact O-CG 3.25Å; D450-R454 PolarHBondContact O-N 3.26Å | ||
| 451 | S | 92.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57 | -35.9 | 178.6 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | V453 R454 Q455 | S451-V453 VanDerWaalsContact C-N 3.27Å; S451-V453 PolarHBondContact O-N 2.96Å; S451-R454 PolarHBondContact O-N 3.39Å; S451-Q455 VanDerWaalsContact O-CB 3.28Å; S451-Q455 WeakPolarHBondContact O-CB 3.44Å; S451-Q455 WeakPolarHBondContact O-CG 3.47Å; S451-Q455 PolarHBondContact O-N 3.1Å |
| 452 | Q | 93.3 | Very high | 92.2 | Very high | 149 Ų | 149 | 51.3 Ų | 51.3 | 70% | 0.696 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.7 | -24.9 | 175.6 | -62 | -172.6 | 6.3 | 0 | 0 | 113.5 | D450 K456 | D450-Q452 PolarHBondContact O-N 3.43Å; Q452-K456 WeakPolarHBondContact O-CE 3.28Å; Q452-K456 WeakPolarHBondContact O-CG 3.46Å |
| 453 | V | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -82.3 | -49.8 | 176 | -176 | 0 | 0 | 0 | 0 | 109 | P409 F449 D450 S451 Q455 K456 | P409-V453 HydrophobicContact CB-CG1 4.29Å; F449-V453 HydrophobicContact CD1-CG1 4.29Å; D450-V453 HydrophobicContact CB-CG2 4.01Å; D450-V453 WeakPolarHBondContact O-CB 3.37Å; D450-V453 PolarHBondContact O-N 2.9Å; S451-V453 VanDerWaalsContact C-N 3.27Å; S451-V453 PolarHBondContact O-N 2.96Å; V453-Q455 PolarHBondContact O-N 3.27Å; V453-Q455 VanDerWaalsContact O-N 3.14Å; V453-K456 WeakPolarHBondContact O-CB 3.44Å; V453-K456 PolarHBondContact O-N 3.03Å |
| 454 | R | 94.2 | Very high | 88 | Confident | 9 Ų | 9 | 64 Ų | 64 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -22.2 | 179 | -61.8 | -169.2 | -77.7 | 101 | 4.7 | 113.9 | F412 L446 F449 D450 S451 L582 C583 A584 | F412-R454 HydrophobicContact CD1-CB 4.08Å; F412-R454 HydrophobicContact CD1-CG 3.87Å; F412-R454 HydrophobicContact CD2-CG 3.88Å; F412-R454 HydrophobicContact CE1-CB 3.61Å; F412-R454 HydrophobicContact CE1-CG 3.54Å; F412-R454 HydrophobicContact CE2-CB 4.49Å; F412-R454 VanDerWaalsContact CE2-CD 3.42Å; F412-R454 HydrophobicContact CE2-CG 3.55Å; F412-R454 HydrophobicContact CG-CG 4.04Å; F412-R454 HydrophobicContact CZ-CB 3.87Å; F412-R454 HydrophobicContact CZ-CG 3.4Å; L446-R454 PolarHBondContact O-NE 2.76Å; F449-R454 HydrophobicContact CB-CG 3.63Å; F449-R454 PolarHBondContact O-NE 3.36Å; D450-R454 WeakPolarHBondContact O-CG 3.25Å; D450-R454 PolarHBondContact O-N 3.26Å; S451-R454 PolarHBondContact O-N 3.39Å; R454-L582 PolarHBondContact NH1-O 3.37Å; R454-C583 PolarHBondContact O-SG 3.44Å; R454-A584 PolarHBondContact NH1-O 3.43Å; R454-A584 PolarHBondContact NH2-O 3.27Å |
| 455 | Q | 93.6 | Very high | 85.3 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10 | 176.1 | -73.8 | 171.6 | -0.4 | 0 | 0 | 114.5 | S451 V453 V457 C583 | S451-Q455 VanDerWaalsContact O-CB 3.28Å; S451-Q455 WeakPolarHBondContact O-CB 3.44Å; S451-Q455 WeakPolarHBondContact O-CG 3.47Å; S451-Q455 PolarHBondContact O-N 3.1Å; V453-Q455 PolarHBondContact O-N 3.27Å; V453-Q455 VanDerWaalsContact O-N 3.14Å; Q455-V457 VanDerWaalsContact C-N 3.33Å; Q455-C583 VanDerWaalsContact CG-O 3.32Å; Q455-C583 WeakPolarHBondContact CG-O 3.1Å; Q455-C583 PolarHBondContact NE2-O 2.58Å; Q455-C583 VanDerWaalsContact NE2-O 3.08Å |
| 456 | K | 93.9 | Very high | 82.3 | Confident | 103 Ų | 103 | 74 Ų | 74 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -78.6 | -17.6 | 171.6 | -65.9 | 165.1 | -169.7 | 172.5 | 0 | 112.6 | P409 Q452 V453 | P409-K456 HydrophobicContact CB-CB 3.85Å; P409-K456 HydrophobicContact CB-CD 4.3Å; P409-K456 HydrophobicContact CG-CB 4.19Å; P409-K456 HydrophobicContact CG-CD 4.09Å; Q452-K456 WeakPolarHBondContact O-CE 3.28Å; Q452-K456 WeakPolarHBondContact O-CG 3.46Å; V453-K456 WeakPolarHBondContact O-CB 3.44Å; V453-K456 PolarHBondContact O-N 3.03Å |
| 457 | V | 93.6 | Very high | 79.5 | Confident | 8 Ų | 8 | 81.9 Ų | 81.9 | 5% | 0.048 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -85.4 | 122.1 | -177.8 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | P409 F412 A413 L416 Q455 I459 P566 V568 | P409-V457 HydrophobicContact CB-CG2 3.85Å; P409-V457 WeakPolarHBondContact O-CG2 3.25Å; F412-V457 HydrophobicContact CB-CG2 4.39Å; F412-V457 HydrophobicContact CD1-CB 4.32Å; F412-V457 HydrophobicContact CD1-CG2 3.71Å; A413-V457 HydrophobicContact CB-CG1 4.13Å; L416-V457 HydrophobicContact CD1-CG1 4.42Å; Q455-V457 VanDerWaalsContact C-N 3.33Å; V457-I459 PolarHBondContact O-N 3.01Å; V457-P566 CarbonylContact C-O 3.55Å; V457-P566 WeakPolarHBondContact CA-O 2.99Å; V457-P566 HydrophobicContact CG2-CG 4.03Å; V457-V568 HydrophobicContact CG1-CB 4.42Å; V457-V568 HydrophobicContact CG1-CG2 3.68Å |
| 458 | S | 93.1 | Very high | 76.7 | Confident | 41 Ų | 41 | 85.8 Ų | 85.8 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 105.6 | 178.9 | -165.9 | 0 | 0 | 0 | 0 | 110.4 | I460 P566 V567 V568 | S458-I460 PolarHBondContact O-N 3.25Å; S458-P566 PolarHBondContact N-O 3.41Å; S458-V567 WeakPolarHBondContact O-CA 3.33Å; S458-V568 PolarHBondContact O-N 2.89Å |
| 459 | I | 92.2 | Very high | 74.1 | Confident | 15 Ų | 15 | 87.7 Ų | 87.7 | 8% | 0.077 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 106.7 | 179.3 | -56.3 | 178.8 | 0 | 0 | 0 | 110 | L416 V457 V568 F570 K579 L582 | L416-I459 HydrophobicContact CD1-CD1 4.06Å; L416-I459 HydrophobicContact CD1-CG1 4.48Å; V457-I459 PolarHBondContact O-N 3.01Å; I459-V568 CarbonylContact C-O 3.59Å; I459-V568 WeakPolarHBondContact CA-O 3.22Å; I459-F570 HydrophobicContact CD1-CE2 3.98Å; I459-F570 HydrophobicContact CD1-CZ 4.13Å; I459-F570 HydrophobicContact CG1-CE2 4.48Å; I459-F570 HydrophobicContact CG2-CD2 3.41Å; I459-F570 VanDerWaalsContact CG2-CD2 3.41Å; I459-F570 HydrophobicContact CG2-CE2 3.31Å; I459-F570 HydrophobicContact CG2-CG 4.23Å; I459-F570 HydrophobicContact CG2-CZ 4.06Å; I459-K579 HydrophobicContact CB-CD 4.2Å; I459-K579 HydrophobicContact CB-CG 4.15Å; I459-K579 HydrophobicContact CG2-CB 4.26Å; I459-K579 HydrophobicContact CG2-CD 3.83Å; I459-K579 HydrophobicContact CG2-CG 3.92Å; I459-K579 VanDerWaalsContact O-CE 3.24Å; I459-K579 WeakPolarHBondContact O-CE 3.4Å; I459-K579 PolarHBondContact O-NZ 2.77Å; I459-L582 HydrophobicContact CD1-CB 4.32Å; I459-L582 HydrophobicContact CD1-CD1 4.47Å |
| 460 | I | 90.7 | Very high | 71.4 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.6 | 170 | -59.9 | -178.9 | 0 | 0 | 0 | 109.1 | S458 V567 V568 V569 F570 | S458-I460 PolarHBondContact O-N 3.25Å; I460-V567 HydrophobicContact CD1-CG1 3.47Å; I460-V567 VanDerWaalsContact CD1-CG1 3.47Å; I460-V567 HydrophobicContact CG1-CG1 3.89Å; I460-V568 PolarHBondContact N-O 3.36Å; I460-V569 HydrophobicContact CB-CG2 4.23Å; I460-V569 HydrophobicContact CG2-CG1 4.36Å; I460-V569 WeakPolarHBondContact O-CA 3.2Å; I460-F570 PolarHBondContact O-N 3.18Å |
| 461 | T | 83.6 | Confident | 68.8 | Low | 42 Ų | 42 | 97.4 Ų | 97.4 | 26% | 0.258 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 107.9 | 173.1 | 41.6 | 0 | 0 | 0 | 0 | 105.8 | E463 K576 K579 | T461-E463 PolarHBondContact O-N 2.87Å; T461-K576 HydrophobicContact CG2-CB 4.19Å; T461-K576 HydrophobicContact CG2-CG 3.91Å; T461-K579 HydrophobicContact CG2-CD 3.61Å; T461-K579 PolarHBondContact OG1-NZ 3.49Å; T461-K579 VanDerWaalsContact OG1-NZ 3.09Å |
| 462 | K | 71.1 | Confident | 66.3 | Low | 141 Ų | 141 | 102.5 Ų | 102.5 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | trans | -67.9 | 112.9 | 168 | -78.2 | -167 | 172.9 | -165.3 | 0 | 107.3 | V569 | K462-V569 HydrophobicContact CG-CG1 4.23Š| ||
| 463 | E | 56.4 | Low | 63.4 | Low | 166 Ų | 166 | 100.7 Ų | 100.7 | 78% | 0.776 | 53% | 0.528 | S | S | * | . | trans | -65.8 | 146.8 | 158.7 | -65.1 | -177.3 | 175.4 | 0 | 0 | 107.7 | T461 E465 | T461-E463 PolarHBondContact O-N 2.87Å; E463-E465 PolarHBondContact O-N 2.81Å | ||
| 464 | P | 46.3 | Very low | 60.5 | Low | 115 Ų | 115 | 106.3 Ų | 106.3 | 75% | 0.747 | 57% | 0.567 | S | S | * | * | trans | -62.1 | 126.8 | 173.5 | 27 | -33.1 | 0 | 0 | 0 | 108.6 | C466 | P464-C466 PolarHBondContact O-N 3.48Å; P464-C466 VanDerWaalsContact O-N 3.08Å | ||
| 465 | E | 37.5 | Very low | 57.6 | Low | 181 Ų | 181 | 115 Ų | 115 | 85% | 0.846 | 61% | 0.608 | S | S | * | * | trans | -61.3 | 113.4 | 168.7 | -70.8 | 171.9 | 177.7 | 0 | 0 | 107.3 | E463 Q467 | E463-E465 PolarHBondContact O-N 2.81Å; E465-Q467 PolarHBondContact O-N 2.79Å; E465-Q467 VanDerWaalsContact O-N 3.12Å | ||
| 466 | C | 32.5 | Very low | 54.7 | Low | 108 Ų | 108 | 116 Ų | 116 | 73% | 0.73 | 62% | 0.617 | S | S | * | * | trans | -57.9 | 119.4 | 171 | -70.2 | 0 | 0 | 0 | 0 | 107.9 | P464 D468 | P464-C466 PolarHBondContact O-N 3.48Å; P464-C466 VanDerWaalsContact O-N 3.08Å; C466-D468 VanDerWaalsContact C-N 3.25Å; C466-D468 PolarHBondContact O-N 3.15Å | ||
| 467 | Q | 35.6 | Very low | 51.9 | Low | 166 Ų | 166 | 116.7 Ų | 116.7 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -69.9 | 95.1 | 160.2 | -67 | -175.6 | -90.9 | 0 | 0 | 106.6 | E465 D469 | E465-Q467 PolarHBondContact O-N 2.79Å; E465-Q467 VanDerWaalsContact O-N 3.12Å; Q467-D469 PolarHBondContact O-N 2.99Å | ||
| 468 | D | 35.3 | Very low | 49.3 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | -67.7 | 66.3 | 160.7 | -72 | -24.2 | 0 | 0 | 0 | 108.1 | C466 D470 | C466-D468 VanDerWaalsContact C-N 3.25Å; C466-D468 PolarHBondContact O-N 3.15Å; D468-D470 PolarHBondContact O-N 3.19Å | ||
| 469 | D | 38.8 | Very low | 46.5 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | trans | -66.2 | 112.3 | 166.3 | -86.9 | -28.6 | 0 | 0 | 0 | 107.2 | Q467 D471 | Q467-D469 PolarHBondContact O-N 2.99Å; D469-D471 PolarHBondContact O-N 3.29Å | ||
| 470 | D | 37.8 | Very low | 43.7 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -47.1 | 104.7 | -176.3 | -114.4 | -63.8 | 0 | 0 | 0 | 112.1 | D468 Q472 | D468-D470 PolarHBondContact O-N 3.19Å; D470-Q472 HydrophobicContact CB-CG 4.3Å; D470-Q472 PolarHBondContact O-N 3.43Å; D470-Q472 PolarHBondContact OD1-NE2 2.76Å | ||
| 471 | D | 39.9 | Very low | 41.1 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | -75.5 | 67.1 | -177.4 | -164.3 | 5.5 | 0 | 0 | 0 | 111.4 | D469 S473 | D469-D471 PolarHBondContact O-N 3.29Å; D471-S473 PolarHBondContact O-N 3.16Å | ||
| 472 | Q | 38.3 | Very low | 38.9 | Very low | 145 Ų | 145 | 152.7 Ų | 152.7 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -98.7 | 91.6 | -174.7 | -68.1 | -165.6 | 30.2 | 0 | 0 | 113.1 | D470 | D470-Q472 HydrophobicContact CB-CG 4.3Å; D470-Q472 PolarHBondContact O-N 3.43Å; D470-Q472 PolarHBondContact OD1-NE2 2.76Å | ||
| 473 | S | 34 | Very low | 37.2 | Very low | 111 Ų | 111 | 157 Ų | 157 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 76 | 108.7 | 148.1 | 71.8 | 0 | 0 | 0 | 0 | 119.7 | D471 | D471-S473 PolarHBondContact O-N 3.16Š| ||
| 474 | S | 33 | Very low | 36 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -157.9 | 111.1 | 112.6 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 475 | E | 31.8 | Very low | 35.7 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 120.2 | 162.4 | -71.7 | -166.1 | 113.7 | 0 | 0 | 110 | ||||
| 476 | D | 32.6 | Very low | 35.3 | Very low | 131 Ų | 131 | 156.9 Ų | 156.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -117.2 | 102.7 | 156 | -169.1 | -11 | 0 | 0 | 0 | 109.5 | R478 | D476-R478 PolarHBondContact O-N 3.4Š| ||
| 477 | P | 35.9 | Very low | 35.2 | Very low | 118 Ų | 118 | 161.4 Ų | 161.4 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 50.6 | -169.8 | 33.5 | -36.8 | 0 | 0 | 0 | 113.3 | ||||
| 478 | R | 38.8 | Very low | 34.9 | Very low | 210 Ų | 210 | 160.6 Ų | 160.6 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -144.7 | 77.4 | -176 | -65.4 | -171.8 | 179 | 177.1 | 4.3 | 116.1 | D476 | D476-R478 PolarHBondContact O-N 3.4Š| ||
| 479 | E | 34.9 | Very low | 34.7 | Very low | 199 Ų | 199 | 159 Ų | 159 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | -174 | 90.8 | 123.7 | -106.6 | -171.7 | 173.2 | 0 | 0 | 114.1 | |||||
| 480 | G | 32 | Very low | 34.4 | Very low | 74 Ų | 74 | 160.1 Ų | 160.1 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -99.6 | 81.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 481 | R | 36.9 | Very low | 34 | Very low | 236 Ų | 236 | 161.9 Ų | 161.9 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -161.9 | 82.3 | 166.5 | -109.9 | 152 | -152.7 | -126.5 | 7.1 | 118.4 | ||||
| 482 | R | 37.9 | Very low | 33.6 | Very low | 219 Ų | 219 | 160.4 Ų | 160.4 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | 56.3 | 126.8 | 129.5 | -70.1 | -176.4 | 172 | -168.7 | -3 | 122 | |||||
| 483 | R | 34.2 | Very low | 33.2 | Very low | 233 Ų | 233 | 159.5 Ų | 159.5 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 88.5 | 126.7 | 149.2 | -67 | 170.5 | 173.4 | -178.7 | -3.7 | 118.5 | ||||
| 484 | G | 31.8 | Very low | 32.9 | Very low | 70 Ų | 70 | 161.9 Ų | 161.9 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -93.4 | -141.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 485 | P | 41.1 | Very low | 32.6 | Very low | 138 Ų | 138 | 160.8 Ų | 160.8 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | -107.2 | 157.9 | -79.8 | 34.4 | -35.8 | 0 | 0 | 0 | 112.6 | |||||
| 486 | R | 27.8 | Very low | 32.5 | Very low | 251 Ų | 251 | 157 Ų | 157 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | trans | -141.7 | 158.1 | 168.5 | -163.7 | 162.4 | -179 | 140.8 | 2.2 | 111.5 | ||||
| 487 | R | 31.3 | Very low | 32.3 | Very low | 202 Ų | 202 | 156 Ų | 156 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -119.7 | 159.5 | -161.9 | -164.1 | -176.1 | -170.6 | -131.1 | 17.9 | 110.4 | ||||
| 488 | E | 29.6 | Very low | 32.7 | Very low | 150 Ų | 150 | 155.5 Ų | 155.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 67 | 153.4 | 174.2 | -70.5 | 138.6 | -131.5 | 0 | 0 | 114.8 | ||||
| 489 | S | 30.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -138.4 | 169.3 | 22 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 490 | K | 31 | Very low | 32 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -102.7 | 138.8 | 174.8 | -178.6 | -157.7 | -175.8 | -146.2 | 0 | 109.6 | E492 | K490-E492 VanDerWaalsContact CE-CD 3.49Å; K490-E492 WeakPolarHBondContact CE-OE1 3.24Å; K490-E492 VanDerWaalsContact CE-OE2 3.26Å; K490-E492 WeakPolarHBondContact CE-OE2 3.49Å; K490-E492 IonicContact NZ-OE1 3.46Å; K490-E492 PolarHBondContact NZ-OE1 3.07Å; K490-E492 IonicContact NZ-OE2 3.85Å; K490-E492 PolarHBondContact NZ-OE2 3.4Å | ||
| 491 | L | 30.7 | Very low | 31.9 | Very low | 170 Ų | 170 | 150 Ų | 150 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -141 | 132.2 | 156.8 | -89 | 176.6 | 0 | 0 | 0 | 110.5 | ||||
| 492 | E | 30.2 | Very low | 32.2 | Very low | 133 Ų | 133 | 144 Ų | 144 | 62% | 0.621 | 77% | 0.766 | S | S | * | * | trans | -72.6 | 170.7 | 157.7 | -77.5 | 126.5 | 151 | 0 | 0 | 109 | K490 | K490-E492 VanDerWaalsContact CE-CD 3.49Å; K490-E492 WeakPolarHBondContact CE-OE1 3.24Å; K490-E492 VanDerWaalsContact CE-OE2 3.26Å; K490-E492 WeakPolarHBondContact CE-OE2 3.49Å; K490-E492 IonicContact NZ-OE1 3.46Å; K490-E492 PolarHBondContact NZ-OE1 3.07Å; K490-E492 IonicContact NZ-OE2 3.85Å; K490-E492 PolarHBondContact NZ-OE2 3.4Å | ||
| 493 | D | 30.5 | Very low | 31.8 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | -176.7 | 165.2 | 56 | -160.9 | 9.9 | 0 | 0 | 0 | 114 | |||||
| 494 | Q | 28.2 | Very low | 31.6 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 59.4 | 154.1 | 160.5 | -73.4 | 165.3 | 65.3 | 0 | 0 | 120.8 | ||||
| 495 | S | 27.4 | Very low | 32.6 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | cis | -169.7 | -168.6 | -29.5 | 66.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 496 | S | 28.2 | Very low | 32.8 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 65.9 | 94.1 | 166.1 | 60.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 497 | S | 28.2 | Very low | 33 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | -74.5 | -176.2 | 132 | -50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 498 | P | 44.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | cis | -152.3 | -170.4 | 20.9 | 40.7 | -16 | 0 | 0 | 0 | 118.5 | ||||
| 499 | L | 29.5 | Very low | 33.2 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 70.4 | 151.1 | 163.2 | -52.1 | 173.6 | 0 | 0 | 0 | 116.5 | ||||
| 500 | T | 29.5 | Very low | 34 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | cis | -155.2 | 159.9 | -4.7 | -1.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 501 | A | 29.4 | Very low | 34.1 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -85.6 | 175.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 502 | P | 43.6 | Very low | 34.1 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | cis | -154.7 | -160.8 | 48.3 | 43.7 | -20.4 | 0 | 0 | 0 | 117.4 | ||||
| 503 | T | 29.7 | Very low | 34.1 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | 82.4 | 147.6 | 156.3 | 43.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 504 | S | 30.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -162.4 | 178.5 | -171.8 | 64.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 505 | P | 52.7 | Low | 35.2 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | cis | -109.7 | -101.3 | -7.7 | 23.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 506 | P | 45.8 | Very low | 35.3 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -115.1 | -160.1 | 0.4 | 41 | -24.8 | 0 | 0 | 0 | 115 | ||||
| 507 | S | 31.8 | Very low | 36.3 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -90.8 | 157.3 | -170.8 | 53.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 508 | Q | 33 | Very low | 36.4 | Very low | 199 Ų | 199 | 125.4 Ų | 125.4 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | -161.5 | 171.3 | 126.5 | -110.9 | 173.5 | 35.3 | 0 | 0 | 113.5 | |||||
| 509 | Q | 31.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -133.1 | 165.3 | -169.9 | -146.3 | -175.8 | 39.2 | 0 | 0 | 109.4 | ||||
| 510 | P | 47.4 | Very low | 35.6 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | -158.8 | 142.7 | 93.8 | 38.4 | -17.7 | 0 | 0 | 0 | 119.7 | |||||
| 511 | A | 33.5 | Very low | 35.5 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | 62.5 | 157.9 | 129.5 | 0 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 512 | A | 30.8 | Very low | 35.5 | Very low | 104 Ų | 104 | 131 Ų | 131 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 75.5 | 139.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 513 | A | 30.6 | Very low | 34.7 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | cis | -157.9 | -179.2 | -11.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 514 | A | 30.2 | Very low | 34.6 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -157.3 | -174.4 | -170 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 515 | P | 51.7 | Low | 34.6 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | cis | -139.7 | -174.2 | -46 | 34.7 | -14.7 | 0 | 0 | 0 | 115.8 | ||||
| 516 | Q | 28.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | 73.2 | 176 | 159.4 | -62.1 | -152.2 | 25.3 | 0 | 0 | 118.8 | ||||
| 517 | P | 48.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | cis | -136.3 | -170.7 | 0.7 | 29.2 | -3.2 | 0 | 0 | 0 | 118.8 | ||||
| 518 | K | 31.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 145.7 Ų | 145.7 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -71.5 | 157.6 | -172.2 | -48.6 | 160.9 | 179.1 | 174.4 | 0 | 118.8 | ||||
| 519 | K | 28.6 | Very low | 32.3 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -174.8 | 153.7 | 135.8 | -100.8 | 171 | -175.7 | -179.3 | 0 | 109.8 | ||||
| 520 | V | 29.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | cis | 95.9 | 114.1 | 4.6 | -175.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 521 | G | 27 | Very low | 31.5 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 152.3 | 119.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 522 | D | 28.8 | Very low | 31.2 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 96% | 0.957 | 82% | 0.818 | S | S | * | * | trans | 23.1 | 165 | 157.4 | -72.8 | -66.6 | 0 | 0 | 0 | 126.1 | ||||
| 523 | G | 26.7 | Very low | 31.1 | Very low | 71 Ų | 71 | 143.7 Ų | 143.7 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -169.4 | -62.3 | 176 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 524 | A | 29.1 | Very low | 31 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | 70.9 | 155.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 525 | V | 29.6 | Very low | 30.9 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | 70.6 | 104.6 | 157.1 | -149.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 526 | R | 30.9 | Very low | 29.7 | Very low | 235 Ų | 235 | 150.3 Ų | 150.3 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | 167.8 | 111.2 | 120.6 | -91.3 | 175.3 | -174.9 | -167.6 | 1 | 109.1 | |||||
| 527 | R | 28.6 | Very low | 29.7 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | 42.7 | 126.6 | 87 | -71.1 | -174.3 | 174.9 | -177.6 | -1.1 | 112.9 | |||||
| 528 | R | 27.7 | Very low | 28.8 | Very low | 246 Ų | 246 | 152 Ų | 152 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | cis | -142.6 | 177.2 | 39.4 | -130.9 | 175.2 | -172.9 | 161.7 | -0.5 | 113.8 | ||||
| 529 | S | 27.3 | Very low | 28.7 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | trans | -144.3 | -162.9 | -173.4 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 530 | S | 30.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | 79.5 | 131.9 | -177 | 70.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 531 | Q | 31.7 | Very low | 28.6 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | cis | 72.8 | 130.9 | 32 | -69.3 | -169.4 | -35 | 0 | 0 | 116.3 | ||||
| 532 | G | 27.5 | Very low | 29.3 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -174.8 | 116.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 533 | L | 29.6 | Very low | 29.2 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -96.8 | 153.9 | 169 | -62.7 | 85.5 | 0 | 0 | 0 | 109.5 | ||||
| 534 | R | 28.6 | Very low | 29.5 | Very low | 228 Ų | 228 | 149.3 Ų | 149.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | 172.3 | 128.5 | 115.9 | -95.9 | 170.9 | -176.7 | -150.6 | -1.6 | 115.5 | |||||
| 535 | T | 28.1 | Very low | 29.7 | Very low | 138 Ų | 138 | 150.5 Ų | 150.5 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | 22.7 | 129.9 | 136 | 57.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 536 | G | 26.8 | Very low | 29.5 | Very low | 78 Ų | 78 | 149.6 Ų | 149.6 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -168.9 | 146 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 537 | E | 28.2 | Very low | 29.4 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -111.3 | -169.9 | -171.5 | -67.1 | -178.4 | 97.5 | 0 | 0 | 113.7 | ||||
| 538 | T | 29.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | 80.3 | 98.2 | 164.7 | 69.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 539 | D | 29.2 | Very low | 29.4 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 92% | 0.92 | 80% | 0.798 | S | S | * | * | 55.6 | 147.6 | 116.6 | -155 | 12.9 | 0 | 0 | 0 | 121.6 | |||||
| 540 | G | 26.4 | Very low | 29.5 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 132.5 | 93 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 541 | T | 29.7 | Very low | 29.4 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -97.5 | 177.7 | 152.2 | 46.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 542 | P | 40.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | cis | -131.6 | -177.7 | -6.7 | 24.4 | -0.3 | 0 | 0 | 0 | 113.9 | ||||
| 543 | K | 27.4 | Very low | 29.6 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | 145.9 | 141.6 | 125.2 | -79.3 | 178.3 | -179.2 | 179 | 0 | 114.2 | |||||
| 544 | S | 33.6 | Very low | 29.5 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -85.6 | 175.2 | 166.9 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 545 | P | 31.7 | Very low | 29.6 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | -131 | 156.3 | 120.8 | 38.1 | -32.1 | 0 | 0 | 0 | 114.9 | |||||
| 546 | S | 26.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 176 | 163 | 60 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 547 | S | 29.2 | Very low | 30.1 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | cis | -167.4 | -166.8 | 0.7 | 21.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 548 | E | 26.1 | Very low | 30.3 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | 83.3 | 148.8 | 166.6 | -55.5 | -176.3 | -174.7 | 0 | 0 | 116.8 | ||||
| 549 | S | 29.4 | Very low | 30.5 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | 168.1 | 110.4 | -55.9 | 52.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 550 | V | 28.4 | Very low | 30.8 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 95% | 0.952 | 79% | 0.786 | S | S | * | * | trans | -139.4 | 147.7 | 167.9 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 551 | S | 28.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -128.4 | 139.9 | -157 | 58.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 552 | S | 25.9 | Very low | 31.8 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 72.9 | 163.6 | 151.9 | -52.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 553 | P | 37.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | cis | -124.9 | 173.8 | -4.3 | 37.4 | -20.8 | 0 | 0 | 0 | 115.9 | ||||
| 554 | L | 28.6 | Very low | 34.2 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | trans | -7.9 | 140.8 | 168.1 | -75.8 | 70.2 | 0 | 0 | 0 | 120.7 | Q556 | L554-Q556 HydrophobicContact CD2-CG 4.48Š| ||
| 555 | S | 29.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | -143.3 | 148.4 | 115 | -76.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 556 | Q | 32.8 | Very low | 39.3 | Very low | 167 Ų | 167 | 115 Ų | 115 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | -92.9 | 131.1 | -166.9 | -64.4 | 147.6 | -49.7 | 0 | 0 | 112.1 | L554 | L554-Q556 HydrophobicContact CD2-CG 4.48Š| ||
| 557 | Q | 32.6 | Very low | 42.4 | Very low | 192 Ų | 192 | 112.9 Ų | 112.9 | 90% | 0.897 | 70% | 0.702 | S | S | * | * | trans | -112.1 | 142.5 | 152.5 | -81.2 | -175.7 | -39.5 | 0 | 0 | 108.8 | A559 | Q557-A559 PolarHBondContact O-N 3.19Š| ||
| 558 | L | 33.2 | Very low | 45.4 | Very low | 168 Ų | 168 | 108.3 Ų | 108.3 | 88% | 0.88 | 67% | 0.671 | S | S | * | * | trans | -73 | 116.8 | -171.5 | -69.2 | 83.3 | 0 | 0 | 0 | 110 | S560 | L558-S560 PolarHBondContact O-N 3.41Š| ||
| 559 | A | 32.4 | Very low | 48.7 | Very low | 97 Ų | 97 | 102.4 Ų | 102.4 | 80% | 0.802 | 65% | 0.647 | S | S | * | * | trans | -70.5 | 106.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q557 | Q557-A559 PolarHBondContact O-N 3.19Š| ||
| 560 | S | 35.9 | Very low | 51.9 | Low | 103 Ų | 103 | 97.5 Ų | 97.5 | 72% | 0.72 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 131.3 | 165.5 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | L558 C562 | L558-S560 PolarHBondContact O-N 3.41Å; S560-C562 PolarHBondContact O-N 2.86Å |
| 561 | P | 40.5 | Very low | 55.1 | Low | 120 Ų | 120 | 93.6 Ų | 93.6 | 78% | 0.779 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 121.6 | 177.1 | 26.5 | -32.9 | 0 | 0 | 0 | 109.1 | ||
| 562 | C | 38.1 | Very low | 58.3 | Low | 118 Ų | 118 | 88.9 Ų | 88.9 | 80% | 0.797 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 127.6 | 166.3 | -73 | 0 | 0 | 0 | 0 | 108.4 | S560 A564 | S560-C562 PolarHBondContact O-N 2.86Å; C562-A564 PolarHBondContact O-N 2.89Å |
| 563 | P | 51.4 | Low | 61.7 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 42% | 0.416 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 129.2 | 174.4 | 25.1 | -32.1 | 0 | 0 | 0 | 109.1 | G565 V567 | P563-G565 PolarHBondContact O-N 3.47Å; P563-V567 HydrophobicContact CG-CG2 3.55Å |
| 564 | A | 65.5 | Low | 64.4 | Low | 117 Ų | 117 | 84.7 Ų | 84.7 | 97% | 0.967 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -79.8 | 35.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C562 | C562-A564 PolarHBondContact O-N 2.89Š|
| 565 | G | 80.5 | Confident | 67.6 | Low | 21 Ų | 21 | 78.3 Ų | 78.3 | 22% | 0.216 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -175 | 170.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P563 | P563-G565 PolarHBondContact O-N 3.47Š|
| 566 | P | 91.2 | Very high | 70.7 | Confident | 11 Ų | 11 | 74.3 Ų | 74.3 | 7% | 0.071 | 44% | 0.44 | C | S | . | . | trans | -68.5 | 152 | -165.9 | 26.8 | -35.1 | 0 | 0 | 0 | 113.6 | P409 E410 A413 V457 S458 | P409-P566 HydrophobicContact CB-CG 3.8Å; P409-P566 HydrophobicContact CG-CG 4.09Å; E410-P566 VanDerWaalsContact CD-CB 3.41Å; E410-P566 HydrophobicContact CG-CB 4.29Å; E410-P566 HydrophobicContact CG-CG 4.37Å; E410-P566 WeakPolarHBondContact OE2-CB 3.36Å; A413-P566 HydrophobicContact CB-CB 4.22Å; A413-P566 HydrophobicContact CB-CG 4.26Å; V457-P566 CarbonylContact C-O 3.55Å; V457-P566 WeakPolarHBondContact CA-O 2.99Å; V457-P566 HydrophobicContact CG2-CG 4.03Å; S458-P566 PolarHBondContact N-O 3.41Å | ||
| 567 | V | 92.6 | Very high | 73.6 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.9 | -172.9 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | S458 I460 P563 V569 | S458-V567 WeakPolarHBondContact O-CA 3.33Å; I460-V567 HydrophobicContact CD1-CG1 3.47Å; I460-V567 VanDerWaalsContact CD1-CG1 3.47Å; I460-V567 HydrophobicContact CG1-CG1 3.89Å; P563-V567 HydrophobicContact CG-CG2 3.55Å; V567-V569 HydrophobicContact CG1-CG2 4.48Å |
| 568 | V | 93.3 | Very high | 76.5 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.2 | 173.6 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | A413 L416 R417 V457 S458 I459 I460 F570 | A413-V568 HydrophobicContact CB-CG2 3.58Å; L416-V568 HydrophobicContact CB-CG1 4.43Å; R417-V568 HydrophobicContact CG-CG1 4.12Å; V457-V568 HydrophobicContact CG1-CB 4.42Å; V457-V568 HydrophobicContact CG1-CG2 3.68Å; S458-V568 PolarHBondContact O-N 2.89Å; I459-V568 CarbonylContact C-O 3.59Å; I459-V568 WeakPolarHBondContact CA-O 3.22Å; I460-V568 PolarHBondContact N-O 3.36Å; V568-F570 HydrophobicContact CG1-CD1 3.7Å; V568-F570 HydrophobicContact CG1-CE1 3.52Å; V568-F570 HydrophobicContact CG1-CZ 4.28Å |
| 569 | V | 94.8 | Very high | 79.3 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 108.1 | 174.9 | -170.5 | 0 | 0 | 0 | 0 | 108 | I460 K462 V567 Q571 | I460-V569 HydrophobicContact CB-CG2 4.23Å; I460-V569 HydrophobicContact CG2-CG1 4.36Å; I460-V569 WeakPolarHBondContact O-CA 3.2Å; K462-V569 HydrophobicContact CG-CG1 4.23Å; V567-V569 HydrophobicContact CG1-CG2 4.48Å; V569-Q571 PolarHBondContact O-NE2 3.12Å |
| 570 | F | 95.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.7 | -179.1 | -71.3 | -35.2 | 0 | 0 | 0 | 112.5 | L416 D420 I459 I460 V568 M575 K576 L582 | L416-F570 HydrophobicContact CB-CE1 4Å; L416-F570 HydrophobicContact CB-CZ 4.19Å; L416-F570 HydrophobicContact CD1-CZ 4.28Å; L416-F570 HydrophobicContact CD2-CZ 4.49Å; D420-F570 HydrophobicContact CB-CD1 3.8Å; D420-F570 HydrophobicContact CB-CE1 4.17Å; D420-F570 WeakPolarHBondContact OD2-CA 3.32Å; I459-F570 HydrophobicContact CD1-CE2 3.98Å; I459-F570 HydrophobicContact CD1-CZ 4.13Å; I459-F570 HydrophobicContact CG1-CE2 4.48Å; I459-F570 HydrophobicContact CG2-CD2 3.41Å; I459-F570 VanDerWaalsContact CG2-CD2 3.41Å; I459-F570 HydrophobicContact CG2-CE2 3.31Å; I459-F570 HydrophobicContact CG2-CG 4.23Å; I459-F570 HydrophobicContact CG2-CZ 4.06Å; I460-F570 PolarHBondContact O-N 3.18Å; V568-F570 HydrophobicContact CG1-CD1 3.7Å; V568-F570 HydrophobicContact CG1-CE1 3.52Å; V568-F570 HydrophobicContact CG1-CZ 4.28Å; F570-M575 HydrophobicContact CB-CB 4.26Å; F570-M575 HydrophobicContact CD1-CB 3.71Å; F570-M575 HydrophobicContact CD1-CG 4.47Å; F570-M575 VanDerWaalsContact CD2-C 3.42Å; F570-M575 HydrophobicContact CD2-CB 3.71Å; F570-M575 WeakPolarHBondContact CD2-O 3.35Å; F570-M575 HydrophobicContact CE1-CB 3.86Å; F570-M575 HydrophobicContact CE1-CE 3.81Å; F570-M575 HydrophobicContact CE1-CG 4.38Å; F570-M575 HydrophobicContact CE2-CB 3.85Å; F570-M575 WeakPolarHBondContact CE2-O 3.44Å; F570-M575 HydrophobicContact CG-CB 3.65Å; F570-M575 HydrophobicContact CZ-CB 3.95Å; F570-M575 HydrophobicContact CZ-CE 3.74Å; F570-K576 HydrophobicContact CB-CG 4.03Å; F570-K576 WeakPolarHBondContact O-CE 3.12Å; F570-L582 HydrophobicContact CE2-CD1 3.83Å; F570-L582 HydrophobicContact CZ-CD1 3.79Å |
| 571 | Q | 96.2 | Very high | 84.8 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | trans | -92.7 | -38.1 | 173.2 | -50.3 | -45.2 | -54.7 | 0 | 0 | 111.6 | D420 K424 V569 K576 | D420-Q571 PolarHBondContact OD1-N 3.03Å; D420-Q571 PolarHBondContact OD2-N 3.03Å; K424-Q571 HydrophobicContact CD-CB 4.43Å; K424-Q571 HydrophobicContact CG-CB 4.25Å; V569-Q571 PolarHBondContact O-NE2 3.12Å; Q571-K576 WeakPolarHBondContact O-CE 3.49Å; Q571-K576 PolarHBondContact O-NZ 3.3Å | ||
| 572 | S | 96.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -80.7 | 143 | -176.2 | 71.4 | 0 | 0 | 0 | 0 | 113.9 | D420 C423 E427 K574 M575 K576 | D420-S572 VanDerWaalsContact OD1-CB 3.25Å; D420-S572 WeakPolarHBondContact OD1-CB 3.39Å; D420-S572 PolarHBondContact OD1-N 3.4Å; D420-S572 PolarHBondContact OD1-OG 3.28Å; C423-S572 VanDerWaalsContact CB-CB 3.48Å; C423-S572 WeakPolarHBondContact CB-OG 3.49Å; E427-S572 WeakPolarHBondContact OE1-CA 3.45Å; E427-S572 WeakPolarHBondContact OE1-CB 3.28Å; S572-K574 VanDerWaalsContact C-N 3.26Å; S572-K574 PolarHBondContact O-N 2.94Å; S572-M575 PolarHBondContact O-N 2.8Å; S572-M575 WeakPolarHBondContact OG-CB 3.32Å; S572-M575 WeakPolarHBondContact OG-CG 3.3Å; S572-M575 PolarHBondContact OG-N 3.36Å; S572-M575 VanDerWaalsContact OG-N 3.15Å; S572-K576 WeakPolarHBondContact O-CB 3.23Å; S572-K576 WeakPolarHBondContact O-CD 3.44Å; S572-K576 WeakPolarHBondContact O-CG 3.26Å; S572-K576 PolarHBondContact O-N 2.82Å |
| 573 | E | 95.6 | Very high | 89.6 | Confident | 112 Ų | 112 | 45.5 Ų | 45.5 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.8 | -30.6 | 174.4 | -63.6 | -51.4 | 134.1 | 0 | 0 | 112.1 | E427 K576 G577 | E427-E573 PolarHBondContact OE1-N 3.39Å; E573-K576 VanDerWaalsContact OE1-CD 3.29Å; E573-K576 WeakPolarHBondContact OE1-CD 3.49Å; E573-K576 IonicContact OE1-NZ 3.2Å; E573-K576 PolarHBondContact OE1-NZ 2.98Å; E573-G577 PolarHBondContact O-N 3Å |
| 574 | K | 95.1 | Very high | 91.4 | Very high | 32 Ų | 32 | 44 Ų | 44 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -48 | 174.4 | -74.6 | -174.5 | 172.5 | -174.8 | 0 | 112 | C423 E426 L434 S572 M578 L596 | C423-K574 HydrophobicContact CB-CB 4.05Å; E426-K574 IonicContact OE1-NZ 2.78Å; E426-K574 WeakPolarHBondContact OE2-CE 3.15Å; E426-K574 IonicContact OE2-NZ 2.67Å; E426-K574 PolarHBondContact OE2-NZ 3.41Å; L434-K574 HydrophobicContact CD1-CD 4.09Å; S572-K574 VanDerWaalsContact C-N 3.26Å; S572-K574 PolarHBondContact O-N 2.94Å; K574-M578 HydrophobicContact CB-CE 4.35Å; K574-M578 VanDerWaalsContact O-CE 3.31Å; K574-M578 WeakPolarHBondContact O-CE 3.47Å; K574-M578 WeakPolarHBondContact O-CG 3.38Å; K574-M578 PolarHBondContact O-N 2.78Å; K574-L596 WeakPolarHBondContact CE-O 2.95Å; K574-L596 PolarHBondContact NZ-O 2.73Å |
| 575 | M | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.4 | -37.7 | 179.3 | -64.3 | -63.2 | -79.8 | 0 | 0 | 112.3 | L416 D420 C423 F570 S572 G577 M578 K579 L582 | L416-M575 HydrophobicContact CB-CE 4.5Å; L416-M575 HydrophobicContact CD2-CE 3.99Å; D420-M575 HydrophobicContact CB-CB 4.32Å; D420-M575 HydrophobicContact CB-CG 3.89Å; D420-M575 WeakPolarHBondContact OD1-CB 3.25Å; C423-M575 HydrophobicContact CB-CG 4.25Å; F570-M575 HydrophobicContact CB-CB 4.26Å; F570-M575 HydrophobicContact CD1-CB 3.71Å; F570-M575 HydrophobicContact CD1-CG 4.47Å; F570-M575 VanDerWaalsContact CD2-C 3.42Å; F570-M575 HydrophobicContact CD2-CB 3.71Å; F570-M575 WeakPolarHBondContact CD2-O 3.35Å; F570-M575 HydrophobicContact CE1-CB 3.86Å; F570-M575 HydrophobicContact CE1-CE 3.81Å; F570-M575 HydrophobicContact CE1-CG 4.38Å; F570-M575 HydrophobicContact CE2-CB 3.85Å; F570-M575 WeakPolarHBondContact CE2-O 3.44Å; F570-M575 HydrophobicContact CG-CB 3.65Å; F570-M575 HydrophobicContact CZ-CB 3.95Å; F570-M575 HydrophobicContact CZ-CE 3.74Å; S572-M575 PolarHBondContact O-N 2.8Å; S572-M575 WeakPolarHBondContact OG-CB 3.32Å; S572-M575 WeakPolarHBondContact OG-CG 3.3Å; S572-M575 PolarHBondContact OG-N 3.36Å; S572-M575 VanDerWaalsContact OG-N 3.15Å; M575-G577 VanDerWaalsContact C-N 3.31Å; M575-G577 PolarHBondContact O-N 3.42Å; M575-M578 HydrophobicContact CG-CE 4.46Å; M575-M578 PolarHBondContact O-N 3.08Å; M575-M578 HydrophobicContact SD-CE 3.44Å; M575-M578 WeakPolarHBondContact SD-CE 3.49Å; M575-K579 PolarHBondContact O-N 3.48Å; M575-K579 VanDerWaalsContact O-N 3.12Å; M575-L582 HydrophobicContact CE-CD1 4.03Å |
| 576 | K | 94.9 | Very high | 92.8 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -49.1 | -52.2 | 168 | -75.8 | 161.1 | 174.7 | 159.1 | 0 | 110.8 | T461 F570 Q571 S572 E573 M578 K579 | T461-K576 HydrophobicContact CG2-CB 4.19Å; T461-K576 HydrophobicContact CG2-CG 3.91Å; F570-K576 HydrophobicContact CB-CG 4.03Å; F570-K576 WeakPolarHBondContact O-CE 3.12Å; Q571-K576 WeakPolarHBondContact O-CE 3.49Å; Q571-K576 PolarHBondContact O-NZ 3.3Å; S572-K576 WeakPolarHBondContact O-CB 3.23Å; S572-K576 WeakPolarHBondContact O-CD 3.44Å; S572-K576 WeakPolarHBondContact O-CG 3.26Å; S572-K576 PolarHBondContact O-N 2.82Å; E573-K576 VanDerWaalsContact OE1-CD 3.29Å; E573-K576 WeakPolarHBondContact OE1-CD 3.49Å; E573-K576 IonicContact OE1-NZ 3.2Å; E573-K576 PolarHBondContact OE1-NZ 2.98Å; K576-M578 VanDerWaalsContact C-N 3.27Å; K576-M578 PolarHBondContact O-N 2.98Å; K576-K579 VanDerWaalsContact O-CB 3.32Å; K576-K579 WeakPolarHBondContact O-CB 3.41Å; K576-K579 PolarHBondContact O-N 3.37Å |
| 577 | G | 92.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.8 | -14.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E573 M575 | E573-G577 PolarHBondContact O-N 3Å; M575-G577 VanDerWaalsContact C-N 3.31Å; M575-G577 PolarHBondContact O-N 3.42Å |
| 578 | M | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -97.1 | -8.7 | 175.3 | -73 | -171.5 | -79.3 | 0 | 0 | 114.3 | K574 M575 K576 E580 L581 L582 I592 Q595 L596 | K574-M578 HydrophobicContact CB-CE 4.35Å; K574-M578 VanDerWaalsContact O-CE 3.31Å; K574-M578 WeakPolarHBondContact O-CE 3.47Å; K574-M578 WeakPolarHBondContact O-CG 3.38Å; K574-M578 PolarHBondContact O-N 2.78Å; M575-M578 HydrophobicContact CG-CE 4.46Å; M575-M578 PolarHBondContact O-N 3.08Å; M575-M578 HydrophobicContact SD-CE 3.44Å; M575-M578 WeakPolarHBondContact SD-CE 3.49Å; K576-M578 VanDerWaalsContact C-N 3.27Å; K576-M578 PolarHBondContact O-N 2.98Å; M578-E580 VanDerWaalsContact C-N 3.33Å; M578-E580 PolarHBondContact O-N 3.21Å; M578-E580 VanDerWaalsContact O-N 3.1Å; M578-L581 HydrophobicContact CG-CD1 4.39Å; M578-L581 WeakPolarHBondContact O-CA 3.41Å; M578-L581 WeakPolarHBondContact O-CB 3.15Å; M578-L581 PolarHBondContact O-N 2.8Å; M578-L582 HydrophobicContact CB-CD1 3.84Å; M578-L582 HydrophobicContact CB-CG 4.07Å; M578-L582 WeakPolarHBondContact O-CG 3.2Å; M578-L582 PolarHBondContact O-N 3.43Å; M578-L582 VanDerWaalsContact O-N 3.12Å; M578-I592 HydrophobicContact SD-CB 4.49Å; M578-I592 HydrophobicContact SD-CG2 4Å; M578-Q595 HydrophobicContact CG-CB 3.73Å; M578-Q595 HydrophobicContact CG-CG 3.47Å; M578-Q595 VanDerWaalsContact CG-CG 3.47Å; M578-Q595 HydrophobicContact SD-CB 4.15Å; M578-Q595 HydrophobicContact SD-CG 4.33Å; M578-L596 HydrophobicContact CE-CB 4.28Å; M578-L596 HydrophobicContact CE-CD1 3.66Å; M578-L596 HydrophobicContact SD-CB 4.38Å |
| 579 | K | 92.8 | Very high | 92.6 | Very high | 71 Ų | 71 | 53.7 Ų | 53.7 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -37.6 | -54.2 | -176.3 | 168.3 | 165.2 | 165.2 | 167.5 | 0 | 114.8 | I459 T461 M575 K576 L581 L582 | I459-K579 HydrophobicContact CB-CD 4.2Å; I459-K579 HydrophobicContact CB-CG 4.15Å; I459-K579 HydrophobicContact CG2-CB 4.26Å; I459-K579 HydrophobicContact CG2-CD 3.83Å; I459-K579 HydrophobicContact CG2-CG 3.92Å; I459-K579 VanDerWaalsContact O-CE 3.24Å; I459-K579 WeakPolarHBondContact O-CE 3.4Å; I459-K579 PolarHBondContact O-NZ 2.77Å; T461-K579 HydrophobicContact CG2-CD 3.61Å; T461-K579 PolarHBondContact OG1-NZ 3.49Å; T461-K579 VanDerWaalsContact OG1-NZ 3.09Å; M575-K579 PolarHBondContact O-N 3.48Å; M575-K579 VanDerWaalsContact O-N 3.12Å; K576-K579 VanDerWaalsContact O-CB 3.32Å; K576-K579 WeakPolarHBondContact O-CB 3.41Å; K576-K579 PolarHBondContact O-N 3.37Å; K579-L581 PolarHBondContact O-N 3.3Å; K579-L582 PolarHBondContact O-N 2.87Å |
| 580 | E | 90.8 | Very high | 92.4 | Very high | 173 Ų | 173 | 55.1 Ų | 55.1 | 81% | 0.808 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.5 | -34.4 | -178.7 | -59.9 | -170.5 | 162.9 | 0 | 0 | 113.2 | M578 L582 A584 | M578-E580 VanDerWaalsContact C-N 3.33Å; M578-E580 PolarHBondContact O-N 3.21Å; M578-E580 VanDerWaalsContact O-N 3.1Å; E580-L582 VanDerWaalsContact C-N 3.33Å; E580-A584 WeakPolarHBondContact O-CB 3.34Å; E580-A584 PolarHBondContact O-N 2.91Å |
| 581 | L | 92.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 56.3 Ų | 56.3 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.8 | -30.3 | -179.7 | -52.9 | 177.6 | 0 | 0 | 0 | 112.1 | M578 K579 N588 A591 I592 | M578-L581 HydrophobicContact CG-CD1 4.39Å; M578-L581 WeakPolarHBondContact O-CA 3.41Å; M578-L581 WeakPolarHBondContact O-CB 3.15Å; M578-L581 PolarHBondContact O-N 2.8Å; K579-L581 PolarHBondContact O-N 3.3Å; L581-N588 HydrophobicContact CD2-CB 4.43Å; L581-A591 HydrophobicContact CD1-CB 3.72Å; L581-A591 HydrophobicContact CD2-CB 4.11Å; L581-I592 HydrophobicContact CB-CD1 4.3Å; L581-I592 HydrophobicContact CB-CG1 3.91Å; L581-I592 HydrophobicContact CD1-CG1 4.01Å |
| 582 | L | 91.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.1 | -37.4 | -176.2 | -64.8 | 163.3 | 0 | 0 | 0 | 112.1 | L416 L446 R454 I459 F570 M575 M578 K579 E580 | L416-L582 HydrophobicContact CD2-CB 4.49Å; L416-L582 HydrophobicContact CD2-CD1 4.08Å; L416-L582 HydrophobicContact CD2-CD2 3.87Å; L416-L582 HydrophobicContact CD2-CG 4.36Å; L446-L582 HydrophobicContact CD1-CD2 3.62Å; L446-L582 HydrophobicContact CD2-CD2 3.75Å; L446-L582 HydrophobicContact CG-CD2 4.36Å; R454-L582 PolarHBondContact NH1-O 3.37Å; I459-L582 HydrophobicContact CD1-CB 4.32Å; I459-L582 HydrophobicContact CD1-CD1 4.47Å; F570-L582 HydrophobicContact CE2-CD1 3.83Å; F570-L582 HydrophobicContact CZ-CD1 3.79Å; M575-L582 HydrophobicContact CE-CD1 4.03Å; M578-L582 HydrophobicContact CB-CD1 3.84Å; M578-L582 HydrophobicContact CB-CG 4.07Å; M578-L582 WeakPolarHBondContact O-CG 3.2Å; M578-L582 PolarHBondContact O-N 3.43Å; M578-L582 VanDerWaalsContact O-N 3.12Å; K579-L582 PolarHBondContact O-N 2.87Å; E580-L582 VanDerWaalsContact C-N 3.33Å |
| 583 | C | 87.8 | Confident | 91.7 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -92 | -3.7 | 175.7 | -61.8 | 0 | 0 | 0 | 0 | 113.8 | R454 Q455 | R454-C583 PolarHBondContact O-SG 3.44Å; Q455-C583 VanDerWaalsContact CG-O 3.32Å; Q455-C583 WeakPolarHBondContact CG-O 3.1Å; Q455-C583 PolarHBondContact NE2-O 2.58Å; Q455-C583 VanDerWaalsContact NE2-O 3.08Å |
| 584 | A | 89.1 | Confident | 91.4 | Very high | 33 Ų | 33 | 53 Ų | 53 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -60.1 | 142.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R454 E580 K586 | R454-A584 PolarHBondContact NH1-O 3.43Å; R454-A584 PolarHBondContact NH2-O 3.27Å; E580-A584 WeakPolarHBondContact O-CB 3.34Å; E580-A584 PolarHBondContact O-N 2.91Å; A584-K586 PolarHBondContact O-N 2.91Å; A584-K586 VanDerWaalsContact O-N 3.12Å |
| 585 | A | 86.3 | Confident | 91.2 | Very high | 68 Ų | 68 | 55.1 Ų | 55.1 | 56% | 0.562 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -60.1 | -26.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 586 | K | 88.7 | Confident | 90.9 | Very high | 187 Ų | 187 | 55.1 Ų | 55.1 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -127.4 | 129.6 | 170 | -67.3 | -178.1 | 178.1 | 179.5 | 0 | 109.3 | A584 N588 | A584-K586 PolarHBondContact O-N 2.91Å; A584-K586 VanDerWaalsContact O-N 3.12Å; K586-N588 PolarHBondContact O-N 2.85Å |
| 587 | V | 90.4 | Very high | 90.5 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | trans | -69.1 | 112 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | V443 L446 S589 I592 | V443-V587 HydrophobicContact CG1-CG1 4.11Å; L446-V587 HydrophobicContact CB-CG1 4.41Å; V587-S589 VanDerWaalsContact C-N 3.34Å; V587-S589 PolarHBondContact O-N 3.12Å; V587-I592 HydrophobicContact CG1-CD1 3.51Å | ||
| 588 | N | 92.4 | Very high | 89.9 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | trans | -80.9 | 80.8 | 179.1 | -172.8 | -10.1 | 0 | 0 | 0 | 110.9 | L581 K586 S590 A591 I592 | L581-N588 HydrophobicContact CD2-CB 4.43Å; K586-N588 PolarHBondContact O-N 2.85Å; N588-S590 VanDerWaalsContact C-N 3.25Å; N588-S590 PolarHBondContact O-N 3.22Å; N588-S590 PolarHBondContact OD1-N 3.42Å; N588-A591 HydrophobicContact CB-CB 4.14Å; N588-A591 WeakPolarHBondContact ND2-CB 3.29Å; N588-A591 PolarHBondContact O-N 3.27Å; N588-A591 VanDerWaalsContact O-N 3.08Å; N588-A591 PolarHBondContact OD1-N 3.12Å; N588-I592 WeakPolarHBondContact O-CG1 3.28Å; N588-I592 PolarHBondContact O-N 3.41Å | ||
| 589 | S | 91.1 | Very high | 88.8 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -45.1 | -46.4 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 113.3 | V587 K593 | V587-S589 VanDerWaalsContact C-N 3.34Å; V587-S589 PolarHBondContact O-N 3.12Å; S589-K593 WeakPolarHBondContact O-CB 3.39Å; S589-K593 VanDerWaalsContact O-CG 3.25Å; S589-K593 WeakPolarHBondContact O-CG 3.3Å; S589-K593 PolarHBondContact O-N 3.02Å |
| 590 | S | 89.9 | Confident | 87.3 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 60% | 0.601 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | N588 L594 | N588-S590 VanDerWaalsContact C-N 3.25Å; N588-S590 PolarHBondContact O-N 3.22Å; N588-S590 PolarHBondContact OD1-N 3.42Å; S590-L594 WeakPolarHBondContact O-CB 3.26Å; S590-L594 PolarHBondContact O-N 2.75Å |
| 591 | A | 90.4 | Very high | 85.5 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 21% | 0.207 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.3 | -41.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L581 N588 K593 L594 Q595 | L581-A591 HydrophobicContact CD1-CB 3.72Å; L581-A591 HydrophobicContact CD2-CB 4.11Å; N588-A591 HydrophobicContact CB-CB 4.14Å; N588-A591 WeakPolarHBondContact ND2-CB 3.29Å; N588-A591 PolarHBondContact O-N 3.27Å; N588-A591 VanDerWaalsContact O-N 3.08Å; N588-A591 PolarHBondContact OD1-N 3.12Å; A591-K593 VanDerWaalsContact C-N 3.34Å; A591-K593 PolarHBondContact O-N 2.68Å; A591-L594 WeakPolarHBondContact O-CB 3.27Å; A591-L594 PolarHBondContact O-N 3.46Å; A591-Q595 WeakPolarHBondContact O-CB 3.44Å; A591-Q595 PolarHBondContact O-N 3Å |
| 592 | I | 91.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.7 | -68.3 | 165.4 | 0 | 0 | 0 | 110.4 | L442 V443 L446 M578 L581 V587 N588 L594 Q595 L596 | L442-I592 HydrophobicContact CD2-CG2 3.72Å; L442-I592 HydrophobicContact CG-CG2 4.25Å; V443-I592 HydrophobicContact CG2-CB 4.04Å; V443-I592 HydrophobicContact CG2-CG2 3.71Å; L446-I592 HydrophobicContact CD1-CD1 3.95Å; L446-I592 HydrophobicContact CD1-CG2 4.48Å; M578-I592 HydrophobicContact SD-CB 4.49Å; M578-I592 HydrophobicContact SD-CG2 4Å; L581-I592 HydrophobicContact CB-CD1 4.3Å; L581-I592 HydrophobicContact CB-CG1 3.91Å; L581-I592 HydrophobicContact CD1-CG1 4.01Å; V587-I592 HydrophobicContact CG1-CD1 3.51Å; N588-I592 WeakPolarHBondContact O-CG1 3.28Å; N588-I592 PolarHBondContact O-N 3.41Å; I592-L594 PolarHBondContact O-N 2.7Å; I592-Q595 PolarHBondContact O-N 2.84Å; I592-L596 WeakPolarHBondContact O-CB 3.46Å; I592-L596 PolarHBondContact O-N 2.74Å |
| 593 | K | 91.7 | Very high | 81.6 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 24% | 0.239 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.2 | -71.2 | -174.4 | -172.4 | -152.5 | 0 | 112.7 | A439 T440 V443 S589 A591 T597 | A439-K593 HydrophobicContact CB-CB 4.27Å; A439-K593 HydrophobicContact CB-CG 3.84Å; A439-K593 WeakPolarHBondContact O-CE 3.34Å; A439-K593 WeakPolarHBondContact O-CG 3.23Å; T440-K593 PolarHBondContact OG1-NZ 3.07Å; V443-K593 HydrophobicContact CG2-CG 4.44Å; S589-K593 WeakPolarHBondContact O-CB 3.39Å; S589-K593 VanDerWaalsContact O-CG 3.25Å; S589-K593 WeakPolarHBondContact O-CG 3.3Å; S589-K593 PolarHBondContact O-N 3.02Å; A591-K593 VanDerWaalsContact C-N 3.34Å; A591-K593 PolarHBondContact O-N 2.68Å; K593-T597 WeakPolarHBondContact O-CB 3.39Å; K593-T597 WeakPolarHBondContact O-CG2 3.27Å; K593-T597 PolarHBondContact O-N 2.89Å; K593-T597 PolarHBondContact O-OG1 3.37Å |
| 594 | L | 90.3 | Very high | 79.6 | Confident | 62 Ų | 62 | 79 Ų | 79 | 33% | 0.325 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.9 | -156.7 | 77.7 | 0 | 0 | 0 | 111.3 | S590 A591 I592 A598 Q599 V602 | S590-L594 WeakPolarHBondContact O-CB 3.26Å; S590-L594 PolarHBondContact O-N 2.75Å; A591-L594 WeakPolarHBondContact O-CB 3.27Å; A591-L594 PolarHBondContact O-N 3.46Å; I592-L594 PolarHBondContact O-N 2.7Å; L594-A598 WeakPolarHBondContact O-CA 3.39Å; L594-A598 PolarHBondContact O-N 3.18Å; L594-Q599 HydrophobicContact CD1-CB 4.18Å; L594-Q599 HydrophobicContact CD1-CG 4.31Å; L594-Q599 WeakPolarHBondContact CD1-O 3.29Å; L594-Q599 VanDerWaalsContact CG-O 3.3Å; L594-Q599 WeakPolarHBondContact CG-O 3.47Å; L594-Q599 PolarHBondContact O-N 3.32Å; L594-V602 HydrophobicContact CD1-CG1 3.77Å |
| 595 | Q | 89.9 | Confident | 77.2 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.1 | -45.4 | -175.7 | -167.4 | 64.9 | 13.9 | 0 | 0 | 112.4 | M578 A591 I592 T597 A598 | M578-Q595 HydrophobicContact CG-CB 3.73Å; M578-Q595 HydrophobicContact CG-CG 3.47Å; M578-Q595 VanDerWaalsContact CG-CG 3.47Å; M578-Q595 HydrophobicContact SD-CB 4.15Å; M578-Q595 HydrophobicContact SD-CG 4.33Å; A591-Q595 WeakPolarHBondContact O-CB 3.44Å; A591-Q595 PolarHBondContact O-N 3Å; I592-Q595 PolarHBondContact O-N 2.84Å; Q595-T597 VanDerWaalsContact C-N 3.27Å; Q595-T597 PolarHBondContact O-N 2.75Å; Q595-A598 PolarHBondContact O-N 3.07Å |
| 596 | L | 89.9 | Confident | 75 | Confident | 0 Ų | 0 | 95.3 Ų | 95.3 | 0% | 0 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.7 | -32.6 | 178.7 | -166.4 | 79.5 | 0 | 0 | 0 | 112.3 | L434 W438 A439 L442 K574 M578 I592 | L434-L596 HydrophobicContact CD1-CD1 3.95Å; L434-L596 HydrophobicContact CD1-CG 4.25Å; L434-L596 HydrophobicContact CD2-CD2 4.34Å; L434-L596 HydrophobicContact CD2-CG 4.45Å; W438-L596 HydrophobicContact CB-CD2 4.12Å; A439-L596 HydrophobicContact CB-CB 4.4Å; A439-L596 HydrophobicContact CB-CD2 3.75Å; L442-L596 HydrophobicContact CD2-CD1 3.99Å; L442-L596 HydrophobicContact CD2-CD2 3.81Å; L442-L596 HydrophobicContact CD2-CG 4.35Å; K574-L596 WeakPolarHBondContact CE-O 2.95Å; K574-L596 PolarHBondContact NZ-O 2.73Å; M578-L596 HydrophobicContact CE-CB 4.28Å; M578-L596 HydrophobicContact CE-CD1 3.66Å; M578-L596 HydrophobicContact SD-CB 4.38Å; I592-L596 WeakPolarHBondContact O-CB 3.46Å; I592-L596 PolarHBondContact O-N 2.74Å |
| 597 | T | 87.6 | Confident | 72.4 | Confident | 30 Ų | 30 | 94.8 Ų | 94.8 | 18% | 0.184 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.3 | 179.1 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | A439 K593 Q595 Q599 | A439-T597 HydrophobicContact CB-CG2 3.97Å; K593-T597 WeakPolarHBondContact O-CB 3.39Å; K593-T597 WeakPolarHBondContact O-CG2 3.27Å; K593-T597 PolarHBondContact O-N 2.89Å; K593-T597 PolarHBondContact O-OG1 3.37Å; Q595-T597 VanDerWaalsContact C-N 3.27Å; Q595-T597 PolarHBondContact O-N 2.75Å; T597-Q599 PolarHBondContact O-N 3.1Å; T597-Q599 VanDerWaalsContact O-N 3.1Å; T597-Q599 WeakPolarHBondContact OG1-CB 3.26Å |
| 598 | A | 78.4 | Confident | 69.7 | Low | 73 Ų | 73 | 103.2 Ų | 103.2 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 28.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L594 Q595 S600 | L594-A598 WeakPolarHBondContact O-CA 3.39Å; L594-A598 PolarHBondContact O-N 3.18Å; Q595-A598 PolarHBondContact O-N 3.07Å; A598-S600 PolarHBondContact O-N 3.1Å |
| 599 | Q | 71.1 | Confident | 67 | Low | 95 Ų | 95 | 104.9 Ų | 104.9 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | trans | -72 | 117.6 | -173.1 | 174.8 | 174.5 | -12.6 | 0 | 0 | 111 | L594 T597 Q601 | L594-Q599 HydrophobicContact CD1-CB 4.18Å; L594-Q599 HydrophobicContact CD1-CG 4.31Å; L594-Q599 WeakPolarHBondContact CD1-O 3.29Å; L594-Q599 VanDerWaalsContact CG-O 3.3Å; L594-Q599 WeakPolarHBondContact CG-O 3.47Å; L594-Q599 PolarHBondContact O-N 3.32Å; T597-Q599 PolarHBondContact O-N 3.1Å; T597-Q599 VanDerWaalsContact O-N 3.1Å; T597-Q599 WeakPolarHBondContact OG1-CB 3.26Å; Q599-Q601 VanDerWaalsContact C-N 3.33Å; Q599-Q601 PolarHBondContact NE2-O 3.14Å; Q599-Q601 PolarHBondContact O-N 3.23Å | ||
| 600 | S | 61.1 | Low | 64.1 | Low | 119 Ų | 119 | 109.1 Ų | 109.1 | 83% | 0.832 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -76 | -10.5 | -172.5 | 60.1 | 0 | 0 | 0 | 0 | 116 | A598 | A598-S600 PolarHBondContact O-N 3.1Š|
| 601 | Q | 52.7 | Low | 61.9 | Low | 135 Ų | 135 | 110.9 Ų | 110.9 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | trans | -144.6 | 127.2 | -178.9 | -62.1 | -174.5 | 11.5 | 0 | 0 | 112.4 | Q599 | Q599-Q601 VanDerWaalsContact C-N 3.33Å; Q599-Q601 PolarHBondContact NE2-O 3.14Å; Q599-Q601 PolarHBondContact O-N 3.23Å | ||
| 602 | V | 53.1 | Low | 59 | Low | 98 Ų | 98 | 114.6 Ų | 114.6 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | trans | -73.9 | 152 | 162.5 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | L594 M604 | L594-V602 HydrophobicContact CD1-CG1 3.77Å; V602-M604 PolarHBondContact O-N 2.65Å | ||
| 603 | Q | 49.6 | Very low | 56 | Low | 190 Ų | 190 | 118.2 Ų | 118.2 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | trans | -59.5 | 111.3 | 178.1 | -72.6 | -173.9 | -6.6 | 0 | 0 | 111.3 | K605 | Q603-K605 PolarHBondContact O-N 2.9Å; Q603-K605 VanDerWaalsContact O-N 3.17Å | ||
| 604 | M | 46.2 | Very low | 53.2 | Low | 168 Ų | 168 | 123.2 Ų | 123.2 | 83% | 0.828 | 67% | 0.673 | S | S | * | * | trans | -62.2 | 118.3 | 168.5 | -67.5 | -169.6 | -179.3 | 0 | 0 | 109.1 | V602 R606 | V602-M604 PolarHBondContact O-N 2.65Å; M604-R606 PolarHBondContact O-N 3.15Å | ||
| 605 | K | 38.5 | Very low | 50.3 | Low | 200 Ų | 200 | 131.1 Ų | 131.1 | 87% | 0.87 | 70% | 0.7 | S | S | * | * | trans | -59.6 | 100.9 | 172.2 | -94.3 | -176.7 | 174.8 | 175.1 | 0 | 109 | Q603 Q607 | Q603-K605 PolarHBondContact O-N 2.9Å; Q603-K605 VanDerWaalsContact O-N 3.17Å; K605-Q607 PolarHBondContact O-N 2.93Å | ||
| 606 | R | 41.5 | Very low | 47.4 | Very low | 244 Ų | 244 | 131.7 Ų | 131.7 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | -59.1 | 101.4 | 172.2 | -169.4 | 176.7 | -173.8 | -179.2 | 2.4 | 108.3 | M604 K608 | M604-R606 PolarHBondContact O-N 3.15Å; R606-K608 PolarHBondContact O-N 2.78Å | ||
| 607 | Q | 32.9 | Very low | 44.4 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -55.8 | 136.3 | 178.3 | -77.2 | 179 | -50.3 | 0 | 0 | 109.4 | K605 S609 | K605-Q607 PolarHBondContact O-N 2.93Å; Q607-S609 PolarHBondContact O-N 2.63Å | ||
| 608 | K | 34.1 | Very low | 41.5 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | -69.5 | 96.7 | 170.3 | -79.5 | -171.5 | 179.9 | -176.5 | 0 | 108.8 | R606 T610 | R606-K608 PolarHBondContact O-N 2.78Å; K608-T610 PolarHBondContact O-N 2.67Å | ||
| 609 | S | 35.4 | Very low | 39.1 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -73.7 | 108 | 158.8 | 52.1 | 0 | 0 | 0 | 0 | 108.8 | Q607 | Q607-S609 PolarHBondContact O-N 2.63Š| ||
| 610 | T | 30.6 | Very low | 37 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -66.4 | 151.7 | 166.3 | -0.9 | 0 | 0 | 0 | 0 | 109.7 | K608 | K608-T610 PolarHBondContact O-N 2.67Š| ||
| 611 | P | 44.1 | Very low | 35.5 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -94.5 | 148.9 | -154.8 | 35.8 | -35.7 | 0 | 0 | 0 | 114.9 | ||||
| 612 | A | 29.7 | Very low | 34.3 | Very low | 104 Ų | 104 | 160.4 Ų | 160.4 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -161.4 | 148.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 613 | G | 28.4 | Very low | 33.1 | Very low | 75 Ų | 75 | 164.5 Ų | 164.5 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | 94.7 | 105.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 614 | D | 31.5 | Very low | 32.3 | Very low | 161 Ų | 161 | 166.8 Ų | 166.8 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -69 | 141.9 | 168.6 | -60.8 | -88.1 | 0 | 0 | 0 | 112.6 | ||||
| 615 | Y | 29.6 | Very low | 31.4 | Very low | 227 Ų | 227 | 168.5 Ų | 168.5 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | trans | -146.7 | 99.6 | 144.3 | -142.1 | -93.1 | 0 | 0 | 0 | 113 | ||||
| 616 | S | 28.8 | Very low | 30.9 | Very low | 89 Ų | 89 | 164.1 Ų | 164.1 | 62% | 0.622 | 83% | 0.828 | S | S | * | * | trans | 28.9 | 119.6 | 147 | -148.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 617 | M | 27.6 | Very low | 30.3 | Very low | 172 Ų | 172 | 164.2 Ų | 164.2 | 85% | 0.847 | 85% | 0.845 | S | S | * | * | 26.1 | 131.6 | 122 | -57.2 | -74.5 | -97.5 | 0 | 0 | 117.6 | |||||
| 618 | S | 27.6 | Very low | 30.1 | Very low | 94 Ų | 94 | 163.6 Ų | 163.6 | 66% | 0.657 | 85% | 0.846 | S | S | * | * | cis | 177.4 | 155.6 | 12.4 | 47.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 619 | F | 27.8 | Very low | 29.9 | Very low | 200 Ų | 200 | 161.1 Ų | 161.1 | 88% | 0.877 | 84% | 0.843 | S | S | * | * | -166.6 | 122.2 | 126.4 | -142.7 | -105.9 | 0 | 0 | 0 | 111.6 | |||||
| 620 | M | 27.3 | Very low | 29.6 | Very low | 165 Ų | 165 | 163.7 Ų | 163.7 | 81% | 0.813 | 85% | 0.845 | S | S | * | * | trans | -115.4 | 125.8 | 168.2 | -69.5 | -172.1 | -179.8 | 0 | 0 | 110 | ||||
| 621 | K | 29.1 | Very low | 29.6 | Very low | 185 Ų | 185 | 165.5 Ų | 165.5 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | 158.2 | 123.8 | 121.5 | -85.9 | 159.4 | -174.5 | 173 | 0 | 113.2 | |||||
| 622 | R | 28 | Very low | 28.7 | Very low | 239 Ų | 239 | 168.2 Ų | 168.2 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | 22.6 | 135.1 | 138.9 | -58.7 | 176.4 | 179 | 169.1 | -1.1 | 119.1 | ||||
| 623 | Q | 27.9 | Very low | 28.6 | Very low | 184 Ų | 184 | 172.5 Ų | 172.5 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | -136.2 | 142.1 | 116 | -112.7 | -176.9 | 14.8 | 0 | 0 | 111.6 | |||||
| 624 | R | 31.4 | Very low | 28.6 | Very low | 239 Ų | 239 | 179.4 Ų | 179.4 | 90% | 0.902 | 86% | 0.855 | S | S | * | * | trans | -78.9 | 147.2 | 159.1 | -81.7 | 176 | 164.8 | 170.5 | -7.8 | 107.8 | ||||
| 625 | K | 27.5 | Very low | 28.4 | Very low | 203 Ų | 203 | 180.8 Ų | 180.8 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | -139.3 | 148.1 | 138 | -96.3 | -176 | -179.1 | 179.3 | 0 | 109.1 | ||||
| 626 | S | 27.7 | Very low | 28.3 | Very low | 109 Ų | 109 | 177 Ų | 177 | 76% | 0.762 | 85% | 0.851 | S | S | * | * | trans | -93.9 | 150.6 | 172.8 | 50 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 627 | L | 28.8 | Very low | 28.2 | Very low | 245 Ų | 245 | 185 Ų | 185 | 100% | 1.283 | 87% | 0.872 | S | S | * | * | -133.3 | 0 | 114.4 | -98.5 | 164.5 | 0 | 0 | 0 | 107.6 |
Retrieved 627 of 627 residues in 967.5 ms
(Link to these results)