| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 84.9 | Confident | 91.4 | Very high | 125 Ų | 125 | 50.2 Ų | 50.2 | 62% | 0.616 | 22% | 0.221 | S | C | * | . | 0 | 108.8 | 0 | 177.7 | 176 | 86.8 | 0 | 0 | 105.1 | V3 D463 L464 V466 | M1-V3 HydrophobicContact CE-CG2 3.59Å; M1-V3 HydrophobicContact CG-CG2 4.1Å; M1-D463 PolarHBondContact N-OD1 3.09Å; M1-L464 PolarHBondContact N-O 2.74Å; M1-L464 PolarHBondContact O-N 3.15Å; M1-V466 HydrophobicContact CB-CG2 4.26Å; M1-V466 HydrophobicContact CE-CG2 4.02Å | |||
| 2 | R | 87.9 | Confident | 91.7 | Very high | 197 Ų | 197 | 46.8 Ų | 46.8 | 74% | 0.743 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121 | -176.2 | -175 | 173.8 | -89.6 | 172.4 | -8.2 | 109.4 | A461 V462 | R2-A461 HydrophobicContact CG-CB 3.82Å; R2-V462 WeakPolarHBondContact CA-O 3.28Å |
| 3 | V | 90.6 | Very high | 92 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.4 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | M1 V7 F8 A461 V462 L464 | M1-V3 HydrophobicContact CE-CG2 3.59Å; M1-V3 HydrophobicContact CG-CG2 4.1Å; V3-V7 HydrophobicContact CG1-CB 3.87Å; V3-V7 HydrophobicContact CG1-CG1 3.67Å; V3-F8 HydrophobicContact CB-CB 4.49Å; V3-F8 HydrophobicContact CG1-CB 4.08Å; V3-A461 CarbonylContact O-C 3.48Å; V3-A461 VanDerWaalsContact O-CA 3.24Å; V3-A461 WeakPolarHBondContact O-CA 3.41Å; V3-V462 PolarHBondContact N-O 3.28Å; V3-V462 PolarHBondContact O-N 2.87Å; V3-L464 HydrophobicContact CG2-CD1 4.25Å |
| 4 | R | 90.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 148.3 | 176.3 | -59.8 | 173.4 | 66.3 | 161.6 | 20.1 | 110.9 | S6 V7 F8 E960 Q961 | R4-S6 VanDerWaalsContact C-N 3.33Å; R4-S6 PolarHBondContact O-N 3.46Å; R4-V7 HydrophobicContact CB-CB 4.36Å; R4-V7 HydrophobicContact CB-CG2 4.18Å; R4-V7 PolarHBondContact O-N 3.14Å; R4-F8 WeakPolarHBondContact O-CB 3.5Å; R4-F8 PolarHBondContact O-N 2.91Å; R4-E960 VanDerWaalsContact CZ-O 3.31Å; R4-E960 IonicContact CZ-OE1 3.83Å; R4-E960 IonicContact CZ-OE2 3.21Å; R4-E960 IonicContact NE-OE1 2.75Å; R4-E960 PolarHBondContact NE-OE1 3.31Å; R4-E960 IonicContact NE-OE2 2.89Å; R4-E960 PolarHBondContact NE-OE2 3.24Å; R4-E960 PolarHBondContact NH1-O 2.82Å; R4-E960 PolarHBondContact NH2-O 2.98Å; R4-E960 IonicContact NH2-OE1 3.97Å; R4-E960 PolarHBondContact NH2-OE1 3.18Å; R4-E960 IonicContact NH2-OE2 2.71Å; R4-Q961 VanDerWaalsContact NH2-C 3.29Å; R4-Q961 PolarHBondContact NH2-O 2.98Å |
| 5 | S | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.7 | -40.9 | -177.6 | -61.9 | 0 | 0 | 0 | 0 | 113.2 | A9 A455 A460 A461 | S5-A9 VanDerWaalsContact O-CB 3.24Å; S5-A9 WeakPolarHBondContact O-CB 3.4Å; S5-A9 PolarHBondContact O-N 3.12Å; S5-A455 VanDerWaalsContact OG-CA 3.22Å; S5-A455 WeakPolarHBondContact OG-CA 3.3Å; S5-A455 PolarHBondContact OG-O 3.32Å; S5-A460 PolarHBondContact N-O 3.41Å; S5-A460 WeakPolarHBondContact OG-CA 3.19Å; S5-A460 PolarHBondContact OG-O 3.39Å; S5-A461 PolarHBondContact OG-N 3.32Å |
| 6 | S | 91 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 178.6 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | R4 A9 C10 E960 | R4-S6 VanDerWaalsContact C-N 3.33Å; R4-S6 PolarHBondContact O-N 3.46Å; S6-A9 PolarHBondContact O-N 3.42Å; S6-C10 VanDerWaalsContact O-CB 3.28Å; S6-C10 WeakPolarHBondContact O-CB 2.98Å; S6-C10 PolarHBondContact O-N 3.35Å; S6-E960 WeakPolarHBondContact CB-OE2 3.37Å; S6-E960 PolarHBondContact N-OE2 3.48Å; S6-E960 PolarHBondContact OG-OE2 2.8Å |
| 7 | V | 92.8 | Very high | 92.7 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 19% | 0.194 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 178.8 | 175.9 | 0 | 0 | 0 | 0 | 110 | V3 R4 F11 I957 | V3-V7 HydrophobicContact CG1-CB 3.87Å; V3-V7 HydrophobicContact CG1-CG1 3.67Å; R4-V7 HydrophobicContact CB-CB 4.36Å; R4-V7 HydrophobicContact CB-CG2 4.18Å; R4-V7 PolarHBondContact O-N 3.14Å; V7-F11 HydrophobicContact CG1-CD2 3.63Å; V7-F11 HydrophobicContact CG1-CE2 3.39Å; V7-F11 WeakPolarHBondContact O-CD2 2.75Å; V7-F11 PolarHBondContact O-N 3.2Å; V7-I957 HydrophobicContact CG2-CD1 4.42Å; V7-I957 HydrophobicContact CG2-CG1 4.03Å; V7-I957 HydrophobicContact CG2-CG2 3.92Å |
| 8 | F | 94.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -52.2 | 175.8 | 172.4 | -112 | 0 | 0 | 0 | 111.9 | V3 R4 C10 F11 I12 V447 L448 A451 V462 L464 Y905 | V3-F8 HydrophobicContact CB-CB 4.49Å; V3-F8 HydrophobicContact CG1-CB 4.08Å; R4-F8 WeakPolarHBondContact O-CB 3.5Å; R4-F8 PolarHBondContact O-N 2.91Å; F8-C10 VanDerWaalsContact C-N 3.34Å; F8-C10 PolarHBondContact O-N 2.79Å; F8-F11 PolarHBondContact O-N 3.46Å; F8-I12 HydrophobicContact CD2-CG1 4.21Å; F8-I12 HydrophobicContact CE1-CG1 4.35Å; F8-I12 HydrophobicContact CE2-CD1 3.93Å; F8-I12 HydrophobicContact CE2-CG1 3.84Å; F8-I12 HydrophobicContact CZ-CD1 4.18Å; F8-I12 HydrophobicContact CZ-CG1 3.95Å; F8-I12 WeakPolarHBondContact O-CG1 3.3Å; F8-I12 PolarHBondContact O-N 2.83Å; F8-V447 HydrophobicContact CE2-CG1 3.92Å; F8-V447 HydrophobicContact CZ-CG1 3.69Å; F8-L448 HydrophobicContact CE1-CD1 4.01Å; F8-A451 HydrophobicContact CD1-CB 4.41Å; F8-A451 HydrophobicContact CE1-CB 3.44Å; F8-A451 VanDerWaalsContact CE1-CB 3.44Å; F8-A451 HydrophobicContact CZ-CB 3.75Å; F8-V462 HydrophobicContact CD1-CB 4.44Å; F8-V462 HydrophobicContact CD1-CG2 3.82Å; F8-V462 HydrophobicContact CE1-CG2 4.21Å; F8-V462 HydrophobicContact CG-CB 4.47Å; F8-V462 HydrophobicContact CG-CG2 4.27Å; F8-L464 HydrophobicContact CD2-CD1 3.81Å; F8-L464 HydrophobicContact CE2-CD1 3.91Å; F8-L464 HydrophobicContact CE2-CD2 3.87Å; F8-L464 HydrophobicContact CE2-CG 4.32Å; F8-L464 HydrophobicContact CZ-CD2 4.48Å; F8-Y905 HydrophobicContact CD1-CD2 4.36Å; F8-Y905 HydrophobicContact CD1-CE2 4.14Å; F8-Y905 HydrophobicContact CE1-CE2 4.02Å |
| 9 | A | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S5 S6 I12 L13 Y905 A908 | S5-A9 VanDerWaalsContact O-CB 3.24Å; S5-A9 WeakPolarHBondContact O-CB 3.4Å; S5-A9 PolarHBondContact O-N 3.12Å; S6-A9 PolarHBondContact O-N 3.42Å; A9-I12 PolarHBondContact O-N 2.96Å; A9-L13 WeakPolarHBondContact O-CG 3.45Å; A9-L13 PolarHBondContact O-N 3.36Å; A9-Y905 HydrophobicContact CB-CD2 4.18Å; A9-A908 HydrophobicContact CB-CB 3.81Å |
| 10 | C | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | S6 F8 I12 L13 I14 C953 L954 I957 | S6-C10 VanDerWaalsContact O-CB 3.28Å; S6-C10 WeakPolarHBondContact O-CB 2.98Å; S6-C10 PolarHBondContact O-N 3.35Å; F8-C10 VanDerWaalsContact C-N 3.34Å; F8-C10 PolarHBondContact O-N 2.79Å; C10-I12 VanDerWaalsContact C-N 3.33Å; C10-I12 PolarHBondContact O-N 2.82Å; C10-L13 PolarHBondContact O-N 2.83Å; C10-I14 WeakPolarHBondContact O-CG1 3.34Å; C10-I14 PolarHBondContact O-N 3.34Å; C10-C953 HydrophobicContact CB-CB 3.89Å; C10-L954 VanDerWaalsContact SG-CD2 3.54Å; C10-I957 HydrophobicContact CB-CD1 3.44Å; C10-I957 VanDerWaalsContact CB-CD1 3.44Å; C10-I957 HydrophobicContact CB-CG1 4.24Å |
| 11 | F | 94.1 | Very high | 92.8 | Very high | 112 Ų | 112 | 42.7 Ų | 42.7 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.6 | -82.6 | -56.6 | 0 | 0 | 0 | 111.8 | V7 F8 L13 I14 F15 | V7-F11 HydrophobicContact CG1-CD2 3.63Å; V7-F11 HydrophobicContact CG1-CE2 3.39Å; V7-F11 WeakPolarHBondContact O-CD2 2.75Å; V7-F11 PolarHBondContact O-N 3.2Å; F8-F11 PolarHBondContact O-N 3.46Å; F11-L13 VanDerWaalsContact C-N 3.35Å; F11-L13 PolarHBondContact O-N 2.89Å; F11-I14 PolarHBondContact O-N 3.22Å; F11-F15 HydrophobicContact CD1-CE2 4.37Å; F11-F15 WeakPolarHBondContact O-CD2 3.17Å; F11-F15 PolarHBondContact O-N 3.09Å |
| 12 | I | 94.9 | Very high | 93 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.7 | -50.4 | 175.2 | -68.7 | -64.7 | 0 | 0 | 0 | 110.5 | F8 A9 C10 I14 F15 E16 L444 V447 L448 | F8-I12 HydrophobicContact CD2-CG1 4.21Å; F8-I12 HydrophobicContact CE1-CG1 4.35Å; F8-I12 HydrophobicContact CE2-CD1 3.93Å; F8-I12 HydrophobicContact CE2-CG1 3.84Å; F8-I12 HydrophobicContact CZ-CD1 4.18Å; F8-I12 HydrophobicContact CZ-CG1 3.95Å; F8-I12 WeakPolarHBondContact O-CG1 3.3Å; F8-I12 PolarHBondContact O-N 2.83Å; A9-I12 PolarHBondContact O-N 2.96Å; C10-I12 VanDerWaalsContact C-N 3.33Å; C10-I12 PolarHBondContact O-N 2.82Å; I12-I14 PolarHBondContact O-N 2.75Å; I12-F15 PolarHBondContact O-N 3.24Å; I12-E16 WeakPolarHBondContact O-CB 3.45Å; I12-E16 PolarHBondContact O-N 3.04Å; I12-L444 HydrophobicContact CD1-CD2 3.56Å; I12-L444 HydrophobicContact CG2-CB 4.22Å; I12-V447 HydrophobicContact CD1-CG1 4.03Å; I12-L448 HydrophobicContact CB-CD1 4.45Å; I12-L448 HydrophobicContact CG1-CD1 4.37Å; I12-L448 HydrophobicContact CG2-CB 4.33Å; I12-L448 HydrophobicContact CG2-CD1 4.27Å; I12-L448 HydrophobicContact CG2-CD2 4.46Å |
| 13 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 179.1 | -67.2 | 179 | 0 | 0 | 0 | 112.9 | A9 C10 F11 F15 E16 V17 A908 S912 L946 T949 A950 C953 | A9-L13 WeakPolarHBondContact O-CG 3.45Å; A9-L13 PolarHBondContact O-N 3.36Å; C10-L13 PolarHBondContact O-N 2.83Å; F11-L13 VanDerWaalsContact C-N 3.35Å; F11-L13 PolarHBondContact O-N 2.89Å; L13-F15 PolarHBondContact O-N 2.72Å; L13-E16 WeakPolarHBondContact O-CB 3.1Å; L13-E16 PolarHBondContact O-N 3.44Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 3.09Å; L13-A908 HydrophobicContact CD1-CB 3.73Å; L13-A908 HydrophobicContact CD2-CB 4.04Å; L13-A908 HydrophobicContact CG-CB 3.84Å; L13-S912 WeakPolarHBondContact CD2-OG 3.43Å; L13-L946 HydrophobicContact CD2-CD1 3.68Å; L13-T949 HydrophobicContact CD1-CG2 3.9Å; L13-A950 HydrophobicContact CB-CB 3.97Å; L13-C953 HydrophobicContact CD1-CB 4.3Å; L13-C953 VanDerWaalsContact CD1-SG 3.58Å |
| 14 | I | 94.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 28.7 Ų | 28.7 | 32% | 0.318 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.9 | -69.5 | 167.3 | 0 | 0 | 0 | 110.6 | C10 F11 I12 E16 V17 L18 A950 L954 | C10-I14 WeakPolarHBondContact O-CG1 3.34Å; C10-I14 PolarHBondContact O-N 3.34Å; F11-I14 PolarHBondContact O-N 3.22Å; I12-I14 PolarHBondContact O-N 2.75Å; I14-E16 VanDerWaalsContact C-N 3.32Å; I14-V17 PolarHBondContact O-N 3.02Å; I14-L18 PolarHBondContact O-N 2.79Å; I14-A950 HydrophobicContact CG1-CB 4.34Å; I14-L954 HydrophobicContact CD1-CD2 4.37Å |
| 15 | F | 94.9 | Very high | 92.9 | Very high | 78 Ų | 78 | 30.3 Ų | 30.3 | 34% | 0.342 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -69.9 | -31.1 | 175.9 | -72.7 | -64.8 | 0 | 0 | 0 | 112.4 | F11 I12 L13 L18 G19 L444 F513 | F11-F15 HydrophobicContact CD1-CE2 4.37Å; F11-F15 WeakPolarHBondContact O-CD2 3.17Å; F11-F15 PolarHBondContact O-N 3.09Å; I12-F15 PolarHBondContact O-N 3.24Å; L13-F15 PolarHBondContact O-N 2.72Å; F15-L18 HydrophobicContact CD1-CD1 4.04Å; F15-L18 WeakPolarHBondContact O-CB 3.23Å; F15-L18 PolarHBondContact O-N 3.32Å; F15-G19 PolarHBondContact O-N 2.81Å; F15-L444 HydrophobicContact CB-CD1 3.7Å; F15-L444 HydrophobicContact CB-CD2 4.1Å; F15-F513 HydrophobicContact CB-CZ 4Å; F15-F513 AromaticContact CD1-CE2 3.93Å; F15-F513 HydrophobicContact CD1-CE2 3.93Å; F15-F513 AromaticContact CD1-CZ 3.92Å; F15-F513 HydrophobicContact CD1-CZ 3.92Å; F15-F513 HydrophobicContact CD2-CE2 4.27Å; F15-F513 HydrophobicContact CD2-CZ 4.3Å; F15-F513 HydrophobicContact CE1-CE2 4.05Å; F15-F513 HydrophobicContact CE2-CE2 4.4Å; F15-F513 HydrophobicContact CG-CE2 4.07Å; F15-F513 AromaticContact CG-CZ 3.83Å; F15-F513 HydrophobicContact CG-CZ 3.83Å; F15-F513 HydrophobicContact CZ-CE2 4.3Å |
| 16 | E | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 175 | -164.7 | 177.1 | -174.2 | 0 | 0 | 110.9 | I12 L13 I14 L18 G19 V20 V441 L444 S912 L946 | I12-E16 WeakPolarHBondContact O-CB 3.45Å; I12-E16 PolarHBondContact O-N 3.04Å; L13-E16 WeakPolarHBondContact O-CB 3.1Å; L13-E16 PolarHBondContact O-N 3.44Å; I14-E16 VanDerWaalsContact C-N 3.32Å; E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 3.44Å; E16-G19 PolarHBondContact O-N 3.22Å; E16-G19 VanDerWaalsContact O-N 3.1Å; E16-V20 WeakPolarHBondContact O-CG2 3.22Å; E16-V20 PolarHBondContact O-N 3.38Å; E16-V441 HydrophobicContact CG-CB 4.49Å; E16-V441 HydrophobicContact CG-CG1 4.1Å; E16-V441 HydrophobicContact CG-CG2 4.17Å; E16-L444 HydrophobicContact CB-CD1 4.14Å; E16-S912 WeakPolarHBondContact OE1-CA 3.17Å; E16-S912 VanDerWaalsContact OE2-CB 3.25Å; E16-S912 WeakPolarHBondContact OE2-CB 3.32Å; E16-S912 PolarHBondContact OE2-OG 2.84Å; E16-L946 HydrophobicContact CB-CD2 4.15Å; E16-L946 HydrophobicContact CG-CD1 4.48Å; E16-L946 HydrophobicContact CG-CD2 3.88Å |
| 17 | V | 95.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 30.4 Ų | 30.4 | 20% | 0.2 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.7 | -41.4 | 171.6 | 170.3 | 0 | 0 | 0 | 0 | 111 | L13 I14 V20 A21 L946 L947 | L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 3.09Å; I14-V17 PolarHBondContact O-N 3.02Å; V17-V20 PolarHBondContact O-N 3.17Å; V17-A21 VanDerWaalsContact O-CB 3.31Å; V17-A21 WeakPolarHBondContact O-CB 3.33Å; V17-A21 PolarHBondContact O-N 3.2Å; V17-L946 HydrophobicContact CG2-CB 4.44Å; V17-L946 HydrophobicContact CG2-CD2 3.85Å; V17-L946 HydrophobicContact CG2-CG 3.75Å; V17-L947 HydrophobicContact CG1-CD1 4.15Å |
| 18 | L | 92.8 | Very high | 91.7 | Very high | 102 Ų | 102 | 29.1 Ų | 29.1 | 53% | 0.534 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 175.8 | -62.8 | 175.6 | 0 | 0 | 0 | 112.1 | I14 F15 E16 A21 L22 | I14-L18 PolarHBondContact O-N 2.79Å; F15-L18 HydrophobicContact CD1-CD1 4.04Å; F15-L18 WeakPolarHBondContact O-CB 3.23Å; F15-L18 PolarHBondContact O-N 3.32Å; E16-L18 VanDerWaalsContact C-N 3.27Å; E16-L18 PolarHBondContact O-N 3.44Å; L18-A21 PolarHBondContact O-N 3.04Å; L18-L22 PolarHBondContact O-N 3.33Å |
| 19 | G | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F15 E16 L22 F23 G437 | F15-G19 PolarHBondContact O-N 2.81Å; E16-G19 PolarHBondContact O-N 3.22Å; E16-G19 VanDerWaalsContact O-N 3.1Å; G19-L22 PolarHBondContact O-N 3.18Å; G19-F23 PolarHBondContact O-N 2.89Å; G19-G437 VanDerWaalsContact O-CA 3.3Å; G19-G437 WeakPolarHBondContact O-CA 3.21Å |
| 20 | V | 94.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | E16 V17 L22 F23 L24 V441 V919 S943 L946 | E16-V20 WeakPolarHBondContact O-CG2 3.22Å; E16-V20 PolarHBondContact O-N 3.38Å; V17-V20 PolarHBondContact O-N 3.17Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.96Å; V20-F23 CarbonylContact O-C 3.51Å; V20-F23 WeakPolarHBondContact O-CA 3.32Å; V20-F23 WeakPolarHBondContact O-CB 3.46Å; V20-F23 PolarHBondContact O-N 3.49Å; V20-F23 VanDerWaalsContact O-N 3.1Å; V20-L24 HydrophobicContact CG1-CD1 4.23Å; V20-L24 HydrophobicContact CG1-CG 4.13Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.4Å; V20-V441 HydrophobicContact CG2-CG2 3.76Å; V20-V919 HydrophobicContact CG2-CG2 4.48Å; V20-S943 VanDerWaalsContact CG1-OG 3.22Å; V20-S943 WeakPolarHBondContact CG1-OG 3.25Å; V20-L946 HydrophobicContact CB-CD2 4.43Å; V20-L946 HydrophobicContact CG2-CD2 3.84Å |
| 21 | A | 91.1 | Very high | 86.6 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 42% | 0.421 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V17 L18 L24 R25 | V17-A21 VanDerWaalsContact O-CB 3.31Å; V17-A21 WeakPolarHBondContact O-CB 3.33Å; V17-A21 PolarHBondContact O-N 3.2Å; L18-A21 PolarHBondContact O-N 3.04Å; A21-L24 PolarHBondContact O-N 3.23Å; A21-R25 WeakPolarHBondContact O-CB 3.34Å; A21-R25 PolarHBondContact O-N 2.97Å |
| 22 | L | 90.4 | Very high | 84.6 | Confident | 20 Ų | 20 | 31.3 Ų | 31.3 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 172.9 | -180 | 60.1 | 0 | 0 | 0 | 111.6 | L18 G19 V20 R25 G26 A436 Y498 F499 | L18-L22 PolarHBondContact O-N 3.33Å; G19-L22 PolarHBondContact O-N 3.18Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.96Å; L22-R25 PolarHBondContact O-N 2.75Å; L22-G26 PolarHBondContact O-N 2.67Å; L22-A436 HydrophobicContact CD2-CB 3.88Å; L22-Y498 HydrophobicContact CD1-CD1 4.13Å; L22-Y498 HydrophobicContact CD1-CE1 4.3Å; L22-F499 HydrophobicContact CD1-CD2 3.87Å; L22-F499 HydrophobicContact CD2-CD2 3.95Å; L22-F499 HydrophobicContact CD2-CE2 3.94Å |
| 23 | F | 93.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -50.5 | 174.9 | -179.8 | -94.6 | 0 | 0 | 0 | 112 | G19 V20 R25 G26 F27 M434 M438 V919 T923 L939 | G19-F23 PolarHBondContact O-N 2.89Å; V20-F23 CarbonylContact O-C 3.51Å; V20-F23 WeakPolarHBondContact O-CA 3.32Å; V20-F23 WeakPolarHBondContact O-CB 3.46Å; V20-F23 PolarHBondContact O-N 3.49Å; V20-F23 VanDerWaalsContact O-N 3.1Å; F23-R25 PolarHBondContact O-N 3.39Å; F23-G26 CarbonylContact O-C 3.48Å; F23-G26 PolarHBondContact O-N 3.48Å; F23-F27 HydrophobicContact CD1-CB 4.25Å; F23-F27 HydrophobicContact CE1-CB 3.95Å; F23-F27 HydrophobicContact CE1-CD2 4.36Å; F23-F27 HydrophobicContact CE1-CG 4.15Å; F23-F27 HydrophobicContact CZ-CB 4.39Å; F23-F27 HydrophobicContact CZ-CD2 4.39Å; F23-F27 WeakPolarHBondContact O-CB 3.35Å; F23-F27 PolarHBondContact O-N 3.11Å; F23-M434 HydrophobicContact CD2-CB 3.99Å; F23-M434 HydrophobicContact CD2-CG 4.22Å; F23-M434 WeakPolarHBondContact CD2-O 3.48Å; F23-M434 HydrophobicContact CE2-CB 3.9Å; F23-M434 HydrophobicContact CE2-CE 3.57Å; F23-M434 HydrophobicContact CE2-CG 4.06Å; F23-M434 HydrophobicContact CZ-CE 3.59Å; F23-M438 HydrophobicContact CD2-CB 4.49Å; F23-M438 HydrophobicContact CE2-CE 4.31Å; F23-V919 HydrophobicContact CD1-CG1 4.18Å; F23-V919 HydrophobicContact CD1-CG2 4.15Å; F23-V919 HydrophobicContact CD2-CG1 3.54Å; F23-V919 HydrophobicContact CE1-CG1 4.19Å; F23-V919 HydrophobicContact CE1-CG2 4.36Å; F23-V919 HydrophobicContact CE2-CG1 3.57Å; F23-V919 HydrophobicContact CG-CG1 3.86Å; F23-V919 HydrophobicContact CG-CG2 4.41Å; F23-V919 HydrophobicContact CZ-CG1 3.89Å; F23-V919 WeakPolarHBondContact CZ-O 3.39Å; F23-T923 WeakPolarHBondContact CE2-OG1 3.36Å; F23-T923 VanDerWaalsContact CZ-OG1 3.29Å; F23-T923 WeakPolarHBondContact CZ-OG1 3.43Å; F23-L939 HydrophobicContact CD1-CD2 4.24Å; F23-L939 HydrophobicContact CE1-CD1 4.32Å; F23-L939 HydrophobicContact CE1-CD2 3.8Å |
| 24 | L | 89.1 | Confident | 79.8 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -39.2 | 178.1 | -68.6 | 177.7 | 0 | 0 | 0 | 111.4 | V20 A21 G26 F27 F28 L939 | V20-L24 HydrophobicContact CG1-CD1 4.23Å; V20-L24 HydrophobicContact CG1-CG 4.13Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.4Å; A21-L24 PolarHBondContact O-N 3.23Å; L24-G26 VanDerWaalsContact C-N 3.25Å; L24-G26 PolarHBondContact O-N 3.21Å; L24-F27 PolarHBondContact O-N 3.04Å; L24-F28 HydrophobicContact CB-CD2 4.3Å; L24-F28 HydrophobicContact CD2-CD2 4.31Å; L24-F28 HydrophobicContact CD2-CE2 3.75Å; L24-F28 WeakPolarHBondContact O-CD2 3.2Å; L24-F28 PolarHBondContact O-N 3.38Å; L24-L939 HydrophobicContact CD2-CD1 4.32Å; L24-L939 HydrophobicContact CD2-CD2 3.43Å; L24-L939 VanDerWaalsContact CD2-CD2 3.43Å; L24-L939 HydrophobicContact CD2-CG 3.55Å |
| 25 | R | 83.3 | Confident | 77.5 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.2 | -31 | 178.4 | -170.4 | 53.7 | 172.5 | 167.7 | -0.7 | 112.7 | A21 L22 F23 Y498 | A21-R25 WeakPolarHBondContact O-CB 3.34Å; A21-R25 PolarHBondContact O-N 2.97Å; L22-R25 PolarHBondContact O-N 2.75Å; F23-R25 PolarHBondContact O-N 3.39Å; R25-Y498 HydrophobicContact CB-CD1 4.24Å; R25-Y498 HydrophobicContact CB-CE1 4.43Å; R25-Y498 HydrophobicContact CG-CD1 3.48Å; R25-Y498 VanDerWaalsContact CG-CD1 3.48Å; R25-Y498 HydrophobicContact CG-CD2 3.98Å; R25-Y498 HydrophobicContact CG-CE1 3.74Å; R25-Y498 HydrophobicContact CG-CE2 4.21Å; R25-Y498 HydrophobicContact CG-CG 3.6Å |
| 26 | G | 84.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -84.4 | -31.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L22 F23 L24 D430 M434 | L22-G26 PolarHBondContact O-N 2.67Å; F23-G26 CarbonylContact O-C 3.48Å; F23-G26 PolarHBondContact O-N 3.48Å; L24-G26 VanDerWaalsContact C-N 3.25Å; L24-G26 PolarHBondContact O-N 3.21Å; G26-D430 PolarHBondContact O-N 3.18Å; G26-M434 VanDerWaalsContact C-CG 3.47Å |
| 27 | F | 86.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.4 | -42.3 | -177.9 | 177.8 | -101.5 | 0 | 0 | 0 | 112.6 | F23 L24 P29 Y429 M434 V922 I931 S936 L939 | F23-F27 HydrophobicContact CD1-CB 4.25Å; F23-F27 HydrophobicContact CE1-CB 3.95Å; F23-F27 HydrophobicContact CE1-CD2 4.36Å; F23-F27 HydrophobicContact CE1-CG 4.15Å; F23-F27 HydrophobicContact CZ-CB 4.39Å; F23-F27 HydrophobicContact CZ-CD2 4.39Å; F23-F27 WeakPolarHBondContact O-CB 3.35Å; F23-F27 PolarHBondContact O-N 3.11Å; L24-F27 PolarHBondContact O-N 3.04Å; F27-P29 WeakPolarHBondContact O-CD 3.18Å; F27-Y429 AromaticContact CD2-CD1 3.93Å; F27-Y429 HydrophobicContact CD2-CD1 3.93Å; F27-Y429 AromaticContact CD2-CE1 3.67Å; F27-Y429 HydrophobicContact CD2-CE1 3.67Å; F27-Y429 HydrophobicContact CE2-CD1 4.3Å; F27-Y429 AromaticContact CE2-CE1 3.59Å; F27-Y429 HydrophobicContact CE2-CE1 3.59Å; F27-Y429 HydrophobicContact CG-CE1 4.4Å; F27-Y429 HydrophobicContact CZ-CE1 4.29Å; F27-Y429 WeakPolarHBondContact O-CD1 3.34Å; F27-Y429 WeakPolarHBondContact O-CE1 3.2Å; F27-M434 HydrophobicContact CB-CE 4.38Å; F27-M434 HydrophobicContact CB-CG 4.26Å; F27-M434 HydrophobicContact CB-SD 4.23Å; F27-M434 HydrophobicContact CD2-CE 3.81Å; F27-M434 HydrophobicContact CD2-SD 4.32Å; F27-V922 HydrophobicContact CD2-CG1 3.68Å; F27-V922 HydrophobicContact CE1-CG1 4.12Å; F27-V922 HydrophobicContact CE2-CG1 3.09Å; F27-V922 HydrophobicContact CG-CG1 4.41Å; F27-V922 HydrophobicContact CZ-CG1 3.34Å; F27-I931 HydrophobicContact CE2-CD1 4.02Å; F27-I931 HydrophobicContact CE2-CG1 4.31Å; F27-I931 HydrophobicContact CZ-CD1 3.75Å; F27-I931 HydrophobicContact CZ-CG1 3.96Å; F27-S936 VanDerWaalsContact CE1-OG 3.29Å; F27-S936 WeakPolarHBondContact CE1-OG 3.22Å; F27-S936 WeakPolarHBondContact CZ-OG 3.28Å; F27-L939 HydrophobicContact CD1-CD2 3.55Å; F27-L939 HydrophobicContact CE1-CD2 3.8Å; F27-L939 HydrophobicContact CG-CD2 4.07Å |
| 28 | F | 79.7 | Confident | 72 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -82.2 | 118.1 | 175.9 | -71.9 | -70.3 | 0 | 0 | 0 | 110.1 | L24 V30 F130 I131 W932 L940 | L24-F28 HydrophobicContact CB-CD2 4.3Å; L24-F28 HydrophobicContact CD2-CD2 4.31Å; L24-F28 HydrophobicContact CD2-CE2 3.75Å; L24-F28 WeakPolarHBondContact O-CD2 3.2Å; L24-F28 PolarHBondContact O-N 3.38Å; F28-V30 PolarHBondContact O-N 3.4Å; F28-F130 HydrophobicContact CD1-CB 4.06Å; F28-F130 HydrophobicContact CE1-CB 3.63Å; F28-F130 HydrophobicContact CE1-CG 4.44Å; F28-F130 HydrophobicContact CZ-CB 4.44Å; F28-I131 HydrophobicContact CB-CB 4.09Å; F28-I131 HydrophobicContact CG-CB 4.41Å; F28-W932 AromaticContact CD1-CZ3 3.89Å; F28-W932 HydrophobicContact CD1-CZ3 3.89Å; F28-W932 HydrophobicContact CE1-CZ3 4.01Å; F28-L940 HydrophobicContact CE2-CD2 3.61Å; F28-L940 HydrophobicContact CE2-CG 4.12Å; F28-L940 HydrophobicContact CZ-CD1 4.09Å; F28-L940 HydrophobicContact CZ-CD2 3.87Å; F28-L940 HydrophobicContact CZ-CG 3.86Å |
| 29 | P | 64.8 | Low | 71.4 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 128.4 | -178.1 | 23.2 | -33 | 0 | 0 | 0 | 109.4 | F27 L426 W932 | F27-P29 WeakPolarHBondContact O-CD 3.18Å; P29-L426 WeakPolarHBondContact CB-O 3.45Å; P29-L426 WeakPolarHBondContact CG-O 3.44Å; P29-W932 HydrophobicContact CG-CH2 3.85Å; P29-W932 HydrophobicContact CG-CZ2 4.19Å |
| 30 | V | 57.4 | Low | 70.8 | Confident | 73 Ų | 73 | 43 Ų | 43 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -70.8 | 142.6 | 167.5 | -177.6 | 0 | 0 | 0 | 0 | 107 | F28 V32 | F28-V30 PolarHBondContact O-N 3.4Å; V30-V32 PolarHBondContact O-N 3.32Å |
| 31 | P | 53.3 | Low | 70.2 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 29% | 0.292 | 27% | 0.273 | S | S | . | . | trans | -45.3 | 138.6 | 178.9 | -29.4 | 34 | 0 | 0 | 0 | 111.6 | K33 | P31-K33 PolarHBondContact O-N 2.85Š| ||
| 32 | V | 50.4 | Low | 69.5 | Low | 28 Ų | 28 | 52.3 Ų | 52.3 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | trans | -42.5 | 128.1 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 109.1 | V30 S34 L360 S364 L426 | V30-V32 PolarHBondContact O-N 3.32Å; V32-S34 VanDerWaalsContact C-N 3.3Å; V32-S34 PolarHBondContact O-N 3.1Å; V32-L360 HydrophobicContact CG1-CD1 3.95Å; V32-S364 WeakPolarHBondContact CG1-OG 3.36Å; V32-L426 HydrophobicContact CG2-CD2 3.65Å; V32-L426 HydrophobicContact CG2-CG 3.65Å | ||
| 33 | K | 46.3 | Very low | 68.7 | Low | 109 Ų | 109 | 55.9 Ų | 55.9 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -54.8 | 94.1 | 177.6 | -76 | -174.2 | -177 | 178.6 | 0 | 109.8 | P31 S496 | P31-K33 PolarHBondContact O-N 2.85Å; K33-S496 WeakPolarHBondContact CE-OG 3.14Å |
| 34 | S | 44.3 | Very low | 67.9 | Low | 14 Ų | 14 | 60.4 Ų | 60.4 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -120.2 | 142 | 131.1 | 83.3 | 0 | 0 | 0 | 0 | 106.6 | V32 F36 N328 | V32-S34 VanDerWaalsContact C-N 3.3Å; V32-S34 PolarHBondContact O-N 3.1Å; S34-F36 PolarHBondContact O-N 3.02Å; S34-N328 WeakPolarHBondContact CB-OD1 3.43Å; S34-N328 PolarHBondContact OG-ND2 2.59Å; S34-N328 PolarHBondContact OG-OD1 3.4Å |
| 35 | S | 47 | Very low | 67.7 | Low | 74 Ų | 74 | 61.2 Ų | 61.2 | 52% | 0.517 | 33% | 0.33 | S | S | . | . | trans | -48.9 | 127 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | S37 S38 | S35-S37 PolarHBondContact O-N 3.12Å; S35-S37 WeakPolarHBondContact OG-CB 3.16Å; S35-S37 PolarHBondContact OG-N 3.4Å; S35-S38 PolarHBondContact O-N 2.87Å | ||
| 36 | F | 51.5 | Low | 67.9 | Low | 111 Ų | 111 | 57.9 Ų | 57.9 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -17.9 | 168.9 | -70.8 | -82.5 | 0 | 0 | 0 | 112.2 | S34 E144 | S34-F36 PolarHBondContact O-N 3.02Å; F36-E144 HydrophobicContact CD1-CG 3.66Å; F36-E144 HydrophobicContact CE1-CG 3.74Å |
| 37 | S | 51.9 | Low | 68 | Low | 102 Ų | 102 | 60.8 Ų | 60.8 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -20.8 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 114.9 | S35 | S35-S37 PolarHBondContact O-N 3.12Å; S35-S37 WeakPolarHBondContact OG-CB 3.16Å; S35-S37 PolarHBondContact OG-N 3.4Å |
| 38 | S | 66.3 | Low | 68 | Low | 49 Ų | 49 | 62.2 Ų | 62.2 | 34% | 0.343 | 35% | 0.351 | S | S | . | . | trans | -86.3 | 137.1 | -178.8 | -176 | 0 | 0 | 0 | 0 | 109.9 | S35 Q327 | S35-S38 PolarHBondContact O-N 2.87Å; S38-Q327 PolarHBondContact O-OE1 2.94Å; S38-Q327 PolarHBondContact OG-NE2 2.92Å; S38-Q327 PolarHBondContact OG-OE1 3.45Å | ||
| 39 | K | 79.9 | Confident | 68.3 | Low | 45 Ų | 45 | 62.6 Ų | 62.6 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | trans | -138.9 | 139.3 | -179.7 | -64.1 | -176.5 | 163.4 | 60.3 | 0 | 108.2 | L143 D145 W149 | K39-L143 PolarHBondContact NZ-O 3.23Å; K39-D145 HydrophobicContact CB-CB 4.3Å; K39-D145 HydrophobicContact CG-CB 4.09Å; K39-W149 HydrophobicContact CD-CD2 4.12Å; K39-W149 HydrophobicContact CD-CG 4.28Å; K39-W149 HydrophobicContact CD-CZ2 4.06Å; K39-W149 VanDerWaalsContact CE-CE2 3.48Å | ||
| 40 | S | 81.4 | Confident | 69.2 | Low | 26 Ų | 26 | 64.1 Ų | 64.1 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | trans | -59.1 | 141 | 176.9 | -69.4 | 0 | 0 | 0 | 0 | 110.7 | D145 Q150 V325 Q327 | S40-D145 WeakPolarHBondContact CB-OD2 3.34Å; S40-D145 PolarHBondContact N-OD2 2.79Å; S40-D145 PolarHBondContact OG-OD2 3.09Å; S40-Q150 PolarHBondContact O-NE2 2.92Å; S40-Q150 PolarHBondContact O-OE1 2.9Å; S40-V325 WeakPolarHBondContact CB-O 3.5Å; S40-V325 PolarHBondContact OG-O 2.93Å; S40-Q327 WeakPolarHBondContact OG-CA 3.5Å; S40-Q327 PolarHBondContact OG-N 3.42Å | ||
| 41 | R | 81.7 | Confident | 69.9 | Low | 166 Ų | 166 | 62.8 Ų | 62.8 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | trans | -126.4 | 153.6 | 174.5 | -53.8 | 178.1 | 177.9 | -167.9 | -0.9 | 110.8 | S43 D44 | R41-S43 WeakPolarHBondContact CB-OG 3.36Å; R41-S43 PolarHBondContact O-N 3.38Å; R41-D44 WeakPolarHBondContact CB-OD2 3.49Å; R41-D44 PolarHBondContact O-N 2.89Å | ||
| 42 | L | 77 | Confident | 70.4 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -64 | -28.9 | 176.7 | -153.2 | 80.4 | 0 | 0 | 0 | 112.2 | D44 L45 L60 P324 | L42-D44 PolarHBondContact O-N 2.94Å; L42-L45 HydrophobicContact CD1-CD1 3.67Å; L42-L45 HydrophobicContact CG-CD1 4.07Å; L42-L45 PolarHBondContact O-N 3.43Å; L42-L60 HydrophobicContact CD1-CD1 4.17Å; L42-L60 HydrophobicContact CD2-CD1 3.72Å; L42-L60 HydrophobicContact CG-CD1 3.78Å; L42-P324 HydrophobicContact CB-CG 4.35Å; L42-P324 HydrophobicContact CD1-CG 4.07Å |
| 43 | S | 72.2 | Confident | 70.5 | Confident | 94 Ų | 94 | 67.5 Ų | 67.5 | 66% | 0.657 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -64.6 | -23.1 | 174.1 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | R41 L45 | R41-S43 WeakPolarHBondContact CB-OG 3.36Å; R41-S43 PolarHBondContact O-N 3.38Å; S43-L45 VanDerWaalsContact C-N 3.33Å |
| 44 | D | 77.8 | Confident | 70.9 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 51% | 0.508 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -95.2 | 1.6 | -171.1 | -50.9 | -14.7 | 0 | 0 | 0 | 111 | R41 L42 | R41-D44 WeakPolarHBondContact CB-OD2 3.49Å; R41-D44 PolarHBondContact O-N 2.89Å; L42-D44 PolarHBondContact O-N 2.94Å |
| 45 | L | 83.4 | Confident | 71.3 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 138.9 | -179.8 | -66.3 | 178 | 0 | 0 | 0 | 111.3 | L42 S43 L60 L352 | L42-L45 HydrophobicContact CD1-CD1 3.67Å; L42-L45 HydrophobicContact CG-CD1 4.07Å; L42-L45 PolarHBondContact O-N 3.43Å; S43-L45 VanDerWaalsContact C-N 3.33Å; L45-L60 HydrophobicContact CB-CD2 4.24Å; L45-L60 HydrophobicContact CD1-CD1 4.45Å; L45-L60 HydrophobicContact CD1-CD2 3.45Å; L45-L60 VanDerWaalsContact CD1-CD2 3.45Å; L45-L60 HydrophobicContact CG-CD2 4.5Å; L45-L352 HydrophobicContact CB-CD2 4.35Å; L45-L352 HydrophobicContact CD2-CD2 4.21Å |
| 46 | P | 87.4 | Confident | 71.4 | Confident | 19 Ų | 19 | 75.5 Ų | 75.5 | 12% | 0.123 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 156.8 | -174.7 | 32.1 | -39.7 | 0 | 0 | 0 | 111.7 | R348 L352 H355 | P46-R348 PolarHBondContact O-NH1 3.37Å; P46-R348 PolarHBondContact O-NH2 3Å; P46-L352 HydrophobicContact CG-CD2 3.97Å; P46-H355 VanDerWaalsContact CD-CD2 3.49Å; P46-H355 WeakPolarHBondContact CD-CD2 3.19Å; P46-H355 HydrophobicContact CG-CB 3.75Å; P46-H355 VanDerWaalsContact CG-CG 3.49Å |
| 47 | A | 87.1 | Confident | 71.6 | Confident | 63 Ų | 63 | 74.5 Ų | 74.5 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 157.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T58 R348 H351 | A47-T58 VanDerWaalsContact CA-CG2 3.41Å; A47-T58 HydrophobicContact CB-CG2 4.2Å; A47-R348 PolarHBondContact O-NH1 3.3Å; A47-H351 PolarHBondContact O-CE1 3.16Å; A47-H351 VanDerWaalsContact O-CE1 3.24Å |
| 48 | E | 87.4 | Confident | 72.2 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 14% | 0.136 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 128.9 | 169.3 | -171 | 169.3 | -157.9 | 0 | 0 | 108.9 | L50 R344 R348 M388 | E48-L50 PolarHBondContact O-N 3.39Å; E48-R344 IonicContact OE1-CZ 3.01Å; E48-R344 IonicContact OE1-NE 3.13Å; E48-R344 PolarHBondContact OE1-NE 3.12Å; E48-R344 IonicContact OE1-NH2 3.92Å; E48-R344 IonicContact OE2-CZ 3.5Å; E48-R344 IonicContact OE2-NE 3.24Å; E48-R344 IonicContact OE2-NH2 2.6Å; E48-R344 PolarHBondContact OE2-NH2 2.95Å; E48-R348 VanDerWaalsContact CA-NH1 3.35Å; E48-M388 HydrophobicContact CG-CE 3.93Å; E48-M388 WeakPolarHBondContact OE1-CE 3.44Å |
| 49 | P | 86.6 | Confident | 72.4 | Confident | 14 Ų | 14 | 77.6 Ų | 77.6 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 129.1 | -177 | -27.3 | 36.6 | 0 | 0 | 0 | 112 | H351 E381 H384 M388 | P49-H351 WeakPolarHBondContact CG-NE2 3.42Å; P49-E381 HydrophobicContact CB-CG 4.29Å; P49-E381 HydrophobicContact CG-CG 3.95Å; P49-H384 HydrophobicContact CB-CB 4.29Å; P49-H384 HydrophobicContact CG-CB 4.49Å; P49-M388 WeakPolarHBondContact O-CB 3.05Å |
| 50 | L | 83.4 | Confident | 72.4 | Confident | 53 Ų | 53 | 78.5 Ų | 78.5 | 28% | 0.277 | 47% | 0.465 | S | S | . | . | trans | -141 | 133.4 | 175.6 | -168 | 73.7 | 0 | 0 | 0 | 110.4 | E48 G52 P55 M388 L392 | E48-L50 PolarHBondContact O-N 3.39Å; L50-G52 PolarHBondContact O-N 2.99Å; L50-P55 HydrophobicContact CD2-CG 4.15Å; L50-M388 HydrophobicContact CD1-CB 4.05Å; L50-M388 HydrophobicContact CD1-CG 3.54Å; L50-L392 HydrophobicContact CD1-CD1 3.67Å | ||
| 51 | A | 72.1 | Confident | 72.3 | Confident | 46 Ų | 46 | 78 Ų | 78 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -79.3 | 95.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | G385 K389 | A51-G385 PolarHBondContact N-O 2.87Å; A51-K389 HydrophobicContact CB-CB 4.38Å; A51-K389 HydrophobicContact CB-CD 4.39Å |
| 52 | G | 63.7 | Low | 72.6 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 63% | 0.629 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 136 | -156.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L50 | L50-G52 PolarHBondContact O-N 2.99Š|
| 53 | S | 52.1 | Low | 73.2 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 78% | 0.776 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -67.4 | 127 | 175.9 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 54 | P | 54.3 | Low | 74.2 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 66% | 0.662 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 133.9 | -177 | 27.4 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 55 | P | 52 | Low | 74.9 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 147.2 | 165.2 | 26.4 | -32.1 | 0 | 0 | 0 | 109.7 | L50 S57 | L50-P55 HydrophobicContact CD2-CG 4.15Å; P55-S57 PolarHBondContact O-N 3.32Å |
| 56 | N | 50.6 | Low | 75.2 | Confident | 182 Ų | 182 | 68.1 Ų | 68.1 | 97% | 0.973 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -63.8 | 4.6 | 179.2 | -84.9 | -13.5 | 0 | 0 | 0 | 115.2 | ||
| 57 | S | 54.4 | Low | 75.4 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | trans | -127.1 | 102.7 | -177.3 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | P55 R59 | P55-S57 PolarHBondContact O-N 3.32Å; S57-R59 PolarHBondContact O-N 3.06Å | ||
| 58 | T | 65.1 | Low | 75.8 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | trans | -73 | 118.5 | 166.5 | -22.9 | 0 | 0 | 0 | 0 | 110.2 | A47 | A47-T58 VanDerWaalsContact CA-CG2 3.41Å; A47-T58 HydrophobicContact CB-CG2 4.2Å | ||
| 59 | R | 71.6 | Confident | 76.3 | Confident | 135 Ų | 135 | 64.4 Ų | 64.4 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | trans | -86.9 | 116 | 172.6 | -166.1 | 177.5 | -179.1 | -164.4 | 0.5 | 109.7 | S57 R348 | S57-R59 PolarHBondContact O-N 3.06Å; R59-R348 PolarHBondContact O-NE 3.05Å | ||
| 60 | L | 78.8 | Confident | 76.9 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 34% | 0.335 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 138.3 | 165 | -69.8 | 173 | 0 | 0 | 0 | 109 | L42 L45 | L42-L60 HydrophobicContact CD1-CD1 4.17Å; L42-L60 HydrophobicContact CD2-CD1 3.72Å; L42-L60 HydrophobicContact CG-CD1 3.78Å; L45-L60 HydrophobicContact CB-CD2 4.24Å; L45-L60 HydrophobicContact CD1-CD1 4.45Å; L45-L60 HydrophobicContact CD1-CD2 3.45Å; L45-L60 VanDerWaalsContact CD1-CD2 3.45Å; L45-L60 HydrophobicContact CG-CD2 4.5Å |
| 61 | P | 79.9 | Confident | 77.6 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 10% | 0.104 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 142 | 175.2 | 25 | -29.2 | 0 | 0 | 0 | 109.6 | R348 F349 L352 | P61-R348 HydrophobicContact CB-CG 4.38Å; P61-R348 HydrophobicContact CG-CG 4Å; P61-F349 HydrophobicContact CB-CD1 4.31Å; P61-F349 HydrophobicContact CB-CE1 3.75Å; P61-F349 HydrophobicContact CB-CE2 3.99Å; P61-F349 HydrophobicContact CB-CZ 3.57Å; P61-F349 HydrophobicContact CG-CD1 3.89Å; P61-F349 HydrophobicContact CG-CE1 3.59Å; P61-F349 HydrophobicContact CG-CZ 3.98Å; P61-L352 HydrophobicContact CG-CD1 3.86Å |
| 62 | Q | 86.6 | Confident | 78.9 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 146.7 | 176.9 | -70.8 | -69.3 | -23.6 | 0 | 0 | 109.8 | L64 | Q62-L64 PolarHBondContact O-N 3.26Š|
| 63 | P | 91 | Very high | 80.5 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 139.2 | 172.8 | -24.2 | 32.5 | 0 | 0 | 0 | 111.1 | L259 | P63-L259 HydrophobicContact CB-CD1 4.24Å; P63-L259 WeakPolarHBondContact O-CD2 3.46Å |
| 64 | L | 92.6 | Very high | 82.6 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -74.4 | -38.1 | 175.2 | -58.7 | -176.5 | 0 | 0 | 0 | 110.6 | Q62 P260 G320 V337 L338 R341 F349 | Q62-L64 PolarHBondContact O-N 3.26Å; L64-P260 WeakPolarHBondContact O-CD 3.5Å; L64-P260 WeakPolarHBondContact O-CG 3.39Å; L64-G320 PolarHBondContact N-O 2.79Å; L64-V337 HydrophobicContact CD1-CG1 3.86Å; L64-L338 HydrophobicContact CD1-CD2 3.7Å; L64-R341 HydrophobicContact CD2-CG 3.95Å; L64-R341 VanDerWaalsContact CD2-CZ 3.42Å; L64-R341 VanDerWaalsContact CD2-NH2 3.32Å; L64-F349 HydrophobicContact CD1-CZ 4.4Å; L64-F349 HydrophobicContact CD2-CE2 3.64Å; L64-F349 HydrophobicContact CD2-CZ 3.61Å; L64-F349 HydrophobicContact CG-CE2 4.3Å; L64-F349 HydrophobicContact CG-CZ 3.9Å |
| 65 | F | 93.4 | Very high | 84.6 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | trans | -125.3 | 140 | -171.3 | -51.4 | -66.3 | 0 | 0 | 0 | 111.7 | V68 P260 L262 A295 F296 G320 V337 | F65-V68 HydrophobicContact CB-CG2 4.25Å; F65-P260 CarbonylContact C-O 3.55Å; F65-P260 WeakPolarHBondContact CA-O 3.16Å; F65-P260 HydrophobicContact CD1-CG 4.24Å; F65-L262 HydrophobicContact CB-CB 4.29Å; F65-L262 HydrophobicContact CD1-CB 3.74Å; F65-L262 HydrophobicContact CD2-CB 3.95Å; F65-L262 HydrophobicContact CD2-CD2 3.9Å; F65-L262 HydrophobicContact CD2-CG 4.48Å; F65-L262 HydrophobicContact CE1-CB 4.01Å; F65-L262 HydrophobicContact CE1-CD1 4.36Å; F65-L262 HydrophobicContact CE2-CB 4.22Å; F65-L262 HydrophobicContact CE2-CD1 4.5Å; F65-L262 HydrophobicContact CE2-CD2 3.73Å; F65-L262 HydrophobicContact CE2-CG 4.37Å; F65-L262 HydrophobicContact CG-CB 3.7Å; F65-L262 HydrophobicContact CZ-CB 4.24Å; F65-L262 HydrophobicContact CZ-CD1 4.15Å; F65-L262 HydrophobicContact CZ-CD2 4.21Å; F65-L262 HydrophobicContact CZ-CG 4.44Å; F65-A295 HydrophobicContact CE1-CB 4.26Å; F65-F296 HydrophobicContact CE1-CZ 4.42Å; F65-F296 HydrophobicContact CZ-CE1 4.17Å; F65-F296 HydrophobicContact CZ-CZ 4.01Å; F65-G320 PolarHBondContact N-O 3.17Å; F65-G320 VanDerWaalsContact N-O 3.11Å; F65-V337 HydrophobicContact CE2-CG1 3.84Å; F65-V337 HydrophobicContact CZ-CG1 3.87Å | ||
| 66 | R | 88.8 | Confident | 86.7 | Confident | 129 Ų | 129 | 42.7 Ų | 42.7 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -79.6 | -43.6 | 171.7 | -173.2 | 159.4 | 169.6 | 70.6 | 1.3 | 111.8 | L259 P260 | R66-L259 HydrophobicContact CB-CB 3.84Å; R66-L259 WeakPolarHBondContact CB-O 3.37Å; R66-P260 PolarHBondContact N-O 3.28Å |
| 67 | R | 91.4 | Very high | 88.9 | Confident | 29 Ų | 29 | 34.7 Ų | 34.7 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.5 | -176.9 | -71 | -172.8 | 178.5 | 157.4 | 10.8 | 110.5 | D206 W208 D209 Y261 L262 | R67-D206 IonicContact CZ-OD1 3.46Å; R67-D206 VanDerWaalsContact CZ-OD1 3.27Å; R67-D206 IonicContact NH1-OD1 3.29Å; R67-D206 PolarHBondContact NH1-OD1 2.88Å; R67-D206 PolarHBondContact NH2-O 2.95Å; R67-D206 IonicContact NH2-OD1 3.63Å; R67-D206 PolarHBondContact NH2-OD1 3.42Å; R67-W208 HydrophobicContact CB-CH2 4.31Å; R67-W208 HydrophobicContact CB-CZ3 3.94Å; R67-W208 HydrophobicContact CG-CE3 4.47Å; R67-W208 HydrophobicContact CG-CH2 4.47Å; R67-W208 HydrophobicContact CG-CZ3 4.1Å; R67-W208 PolarHBondContact NE-O 3.36Å; R67-D209 WeakPolarHBondContact CA-O 3.36Å; R67-Y261 CarbonylContact O-C 3.52Å; R67-Y261 WeakPolarHBondContact O-CA 3.47Å; R67-L262 PolarHBondContact O-N 3.33Å |
| 68 | V | 96.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.4 | 173.1 | 177 | 0 | 0 | 0 | 0 | 108.9 | F65 D209 V210 L211 L262 L317 L321 | F65-V68 HydrophobicContact CB-CG2 4.25Å; V68-D209 PolarHBondContact N-O 3.03Å; V68-V210 WeakPolarHBondContact O-CA 3.23Å; V68-L211 PolarHBondContact O-N 3.39Å; V68-L262 CarbonylContact C-O 3.41Å; V68-L262 VanDerWaalsContact CA-O 3.3Å; V68-L262 WeakPolarHBondContact CA-O 3.36Å; V68-L262 HydrophobicContact CG2-CB 4.24Å; V68-L317 HydrophobicContact CG1-CD2 4.19Å; V68-L321 HydrophobicContact CB-CD2 4.48Å; V68-L321 HydrophobicContact CG2-CD1 4.21Å; V68-L321 HydrophobicContact CG2-CD2 3.59Å; V68-L321 HydrophobicContact CG2-CG 3.96Å |
| 69 | V | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.5 | 165.2 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | W208 L211 L213 I246 L250 L262 L263 V264 | V69-W208 HydrophobicContact CG2-CH2 3.75Å; V69-W208 HydrophobicContact CG2-CZ3 4.09Å; V69-L211 CarbonylContact C-O 3.53Å; V69-L211 VanDerWaalsContact CA-O 3.31Å; V69-L211 WeakPolarHBondContact CA-O 3.43Å; V69-L211 HydrophobicContact CG1-CB 4.32Å; V69-L211 HydrophobicContact CG1-CD2 4.11Å; V69-L211 HydrophobicContact CG1-CG 4.23Å; V69-L211 HydrophobicContact CG2-CB 4.23Å; V69-L211 HydrophobicContact CG2-CD2 4.37Å; V69-L213 HydrophobicContact CG1-CD1 4.46Å; V69-I246 HydrophobicContact CB-CG2 4.26Å; V69-I246 HydrophobicContact CG1-CD1 4.43Å; V69-I246 HydrophobicContact CG1-CG2 3.97Å; V69-I246 HydrophobicContact CG2-CG2 4.14Å; V69-L250 HydrophobicContact CG2-CD1 3.99Å; V69-L250 HydrophobicContact CG2-CD2 4.32Å; V69-L262 PolarHBondContact N-O 2.93Å; V69-L263 HydrophobicContact CB-CD1 3.83Å; V69-L263 HydrophobicContact CG1-CD1 3.92Å; V69-V264 PolarHBondContact O-N 2.99Å |
| 70 | L | 98.4 | Very high | 93.4 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 102.7 | 174.4 | 179.1 | 62.4 | 0 | 0 | 0 | 108.4 | V72 W166 L211 V212 L213 V264 L313 | L70-V72 HydrophobicContact CD1-CG2 4.25Å; L70-V72 HydrophobicContact CD2-CG2 4.26Å; L70-V72 HydrophobicContact CG-CG2 3.88Å; L70-W166 HydrophobicContact CD2-CH2 4.28Å; L70-L211 PolarHBondContact N-O 3.45Å; L70-V212 HydrophobicContact CB-CG2 4.37Å; L70-V212 HydrophobicContact CD2-CG1 4.36Å; L70-V212 WeakPolarHBondContact O-CA 3.45Å; L70-L213 PolarHBondContact O-N 3.44Å; L70-V264 HydrophobicContact CD1-CB 3.81Å; L70-V264 HydrophobicContact CD1-CG1 3.6Å; L70-L313 HydrophobicContact CD1-CD2 4.26Å |
| 71 | M | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 102.4 | 174.4 | -179.4 | 174 | 174.7 | 0 | 0 | 108.9 | V73 Y215 M239 V242 L243 I246 V264 L265 C266 | M71-V73 HydrophobicContact CE-CG2 3.87Å; M71-V73 HydrophobicContact CG-CG2 4.36Å; M71-Y215 HydrophobicContact CE-CD2 4.03Å; M71-Y215 HydrophobicContact CE-CE2 3.95Å; M71-Y215 HydrophobicContact CG-CD2 4.31Å; M71-Y215 HydrophobicContact CG-CE2 4.29Å; M71-M239 HydrophobicContact CE-CB 4.14Å; M71-M239 WeakPolarHBondContact CE-O 3.43Å; M71-M239 HydrophobicContact CE-SD 4.01Å; M71-V242 HydrophobicContact CE-CB 4.08Å; M71-V242 HydrophobicContact CE-CG1 3.73Å; M71-V242 HydrophobicContact SD-CG1 4.03Å; M71-L243 HydrophobicContact SD-CB 4.16Å; M71-I246 HydrophobicContact SD-CD1 4.06Å; M71-V264 PolarHBondContact N-O 3.02Å; M71-L265 HydrophobicContact CE-CD1 4.5Å; M71-L265 HydrophobicContact CG-CD1 4.17Å; M71-L265 WeakPolarHBondContact O-CA 3.36Å; M71-L265 HydrophobicContact SD-CD1 4.27Å; M71-C266 PolarHBondContact O-N 2.75Å |
| 72 | V | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.4 | 173.8 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | L70 W166 L213 H214 Y215 C266 D268 | L70-V72 HydrophobicContact CD1-CG2 4.25Å; L70-V72 HydrophobicContact CD2-CG2 4.26Å; L70-V72 HydrophobicContact CG-CG2 3.88Å; V72-W166 HydrophobicContact CG2-CZ2 4.44Å; V72-L213 PolarHBondContact N-O 3.12Å; V72-H214 HydrophobicContact CB-CB 4.43Å; V72-H214 VanDerWaalsContact CG1-CD2 3.44Å; V72-H214 WeakPolarHBondContact CG1-CD2 3.45Å; V72-H214 WeakPolarHBondContact O-CA 3.23Å; V72-Y215 PolarHBondContact O-N 3.45Å; V72-C266 VanDerWaalsContact CA-O 3.3Å; V72-C266 WeakPolarHBondContact CA-O 3.33Å; V72-D268 HydrophobicContact CG1-CB 4.07Å |
| 73 | V | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112.7 | 172.5 | -179.8 | 0 | 0 | 0 | 0 | 107 | M71 L76 L218 M239 L265 C266 G267 | M71-V73 HydrophobicContact CE-CG2 3.87Å; M71-V73 HydrophobicContact CG-CG2 4.36Å; V73-L76 HydrophobicContact CB-CB 3.97Å; V73-L76 HydrophobicContact CB-CD2 4.13Å; V73-L76 HydrophobicContact CB-CG 4.47Å; V73-L76 HydrophobicContact CG1-CB 4.12Å; V73-L76 HydrophobicContact CG1-CD1 4.39Å; V73-L76 VanDerWaalsContact O-CB 3.23Å; V73-L76 WeakPolarHBondContact O-CB 3.48Å; V73-L76 PolarHBondContact O-N 3.39Å; V73-L218 HydrophobicContact CG1-CB 4.2Å; V73-L218 HydrophobicContact CG1-CD2 3.84Å; V73-M239 HydrophobicContact CG1-CG 4.08Å; V73-M239 HydrophobicContact CG1-SD 4.42Å; V73-M239 HydrophobicContact CG2-CB 4.48Å; V73-M239 HydrophobicContact CG2-CG 4.25Å; V73-M239 HydrophobicContact CG2-SD 4.14Å; V73-L265 HydrophobicContact CG2-CD1 3.87Å; V73-C266 PolarHBondContact N-O 3.16Å; V73-G267 WeakPolarHBondContact O-CA 3.42Å |
| 74 | D | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 136.5 | -176.7 | -158.2 | -38.6 | 0 | 0 | 0 | 110.4 | L76 T115 H214 Y215 L216 D219 D268 H269 | D74-L76 VanDerWaalsContact C-N 3.28Å; D74-L76 PolarHBondContact O-N 3.43Å; D74-T115 WeakPolarHBondContact OD2-CG2 3.4Å; D74-T115 PolarHBondContact OD2-OG1 3Å; D74-H214 IonicContact OD2-CE1 2.7Å; D74-H214 IonicContact OD2-NE2 3.79Å; D74-Y215 VanDerWaalsContact CB-O 3.26Å; D74-Y215 WeakPolarHBondContact CB-O 3.07Å; D74-Y215 PolarHBondContact N-O 3.31Å; D74-L216 HydrophobicContact CB-CD2 4.31Å; D74-L216 WeakPolarHBondContact OD2-CD2 3.36Å; D74-D219 HydrophobicContact CB-CB 3.86Å; D74-D219 WeakPolarHBondContact OD1-CB 3.43Å; D74-D268 WeakPolarHBondContact CA-OD1 3.21Å; D74-H269 IonicContact OD1-CE1 2.76Å; D74-H269 PolarHBondContact OD1-CE1 3.29Å; D74-H269 IonicContact OD1-ND1 3.58Å; D74-H269 IonicContact OD1-NE2 3.4Å; D74-H269 PolarHBondContact OD1-NE2 3.34Å |
| 75 | A | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 26.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R77 D219 D268 H269 M271 | A75-R77 PolarHBondContact O-N 2.99Å; A75-D219 HydrophobicContact CB-CB 3.69Å; A75-D219 WeakPolarHBondContact CB-OD1 3.34Å; A75-D268 PolarHBondContact N-OD1 3.33Å; A75-H269 CarbonylContact C-O 3.43Å; A75-H269 VanDerWaalsContact C-O 3.25Å; A75-H269 WeakPolarHBondContact CA-O 3.45Å; A75-M271 HydrophobicContact CB-CB 4.39Å; A75-M271 HydrophobicContact CB-CE 3.26Å |
| 76 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -72.5 | 89.5 | 176.8 | -174.6 | 69.5 | 0 | 0 | 0 | 112.5 | V73 D74 F80 V81 M90 L218 L236 L265 H269 T287 A288 | V73-L76 HydrophobicContact CB-CB 3.97Å; V73-L76 HydrophobicContact CB-CD2 4.13Å; V73-L76 HydrophobicContact CB-CG 4.47Å; V73-L76 HydrophobicContact CG1-CB 4.12Å; V73-L76 HydrophobicContact CG1-CD1 4.39Å; V73-L76 VanDerWaalsContact O-CB 3.23Å; V73-L76 WeakPolarHBondContact O-CB 3.48Å; V73-L76 PolarHBondContact O-N 3.39Å; D74-L76 VanDerWaalsContact C-N 3.28Å; D74-L76 PolarHBondContact O-N 3.43Å; L76-F80 HydrophobicContact CD1-CB 4.39Å; L76-F80 HydrophobicContact CD1-CD2 4.42Å; L76-V81 HydrophobicContact CD1-CG2 4.23Å; L76-V81 HydrophobicContact CD2-CG2 4.46Å; L76-V81 HydrophobicContact CG-CG2 4.49Å; L76-M90 HydrophobicContact CD1-SD 4.22Å; L76-L218 HydrophobicContact CB-CD2 4.4Å; L76-L218 HydrophobicContact CD1-CD2 4.11Å; L76-L236 HydrophobicContact CD1-CD2 3.89Å; L76-L265 HydrophobicContact CD2-CD1 4.05Å; L76-L265 HydrophobicContact CD2-CD2 4.24Å; L76-L265 HydrophobicContact CD2-CG 4.06Å; L76-H269 PolarHBondContact N-O 2.89Å; L76-T287 WeakPolarHBondContact O-CA 3.31Å; L76-A288 HydrophobicContact CD2-CB 4.02Å; L76-A288 HydrophobicContact CG-CB 4.2Å; L76-A288 PolarHBondContact O-N 2.84Å | ||
| 77 | R | 95.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -58.8 | 148.6 | 171.8 | -66 | 169 | 50.9 | 148.9 | -5.5 | 112.2 | A75 D79 F80 M271 E273 | A75-R77 PolarHBondContact O-N 2.99Å; R77-D79 VanDerWaalsContact C-N 3.3Å; R77-D79 WeakPolarHBondContact CB-OD1 3.37Å; R77-D79 IonicContact CZ-OD1 2.73Å; R77-D79 IonicContact CZ-OD2 3.66Å; R77-D79 IonicContact NE-OD1 2.78Å; R77-D79 PolarHBondContact NE-OD1 3.39Å; R77-D79 IonicContact NE-OD2 3.75Å; R77-D79 IonicContact NH2-OD1 2.9Å; R77-D79 IonicContact NH2-OD2 3.56Å; R77-D79 PolarHBondContact NH2-OD2 2.85Å; R77-D79 PolarHBondContact O-N 2.92Å; R77-F80 HydrophobicContact CB-CD2 3.9Å; R77-F80 HydrophobicContact CB-CE2 4.07Å; R77-F80 HydrophobicContact CB-CG 4.17Å; R77-F80 HydrophobicContact CB-CZ 4.49Å; R77-F80 HydrophobicContact CG-CD2 4.48Å; R77-F80 HydrophobicContact CG-CE2 4.16Å; R77-F80 HydrophobicContact CG-CZ 4.43Å; R77-F80 PolarHBondContact O-N 3.03Å; R77-M271 HydrophobicContact CG-CG 4.26Å; R77-M271 PolarHBondContact NH1-O 3.12Å; R77-E273 IonicContact CZ-OE1 2.66Å; R77-E273 IonicContact NH1-OE1 3.5Å; R77-E273 PolarHBondContact NH1-OE1 3.14Å; R77-E273 IonicContact NH2-OE1 3.91Å; R77-E273 PolarHBondContact NH2-OE1 3.48Å; R77-E273 VanDerWaalsContact NH2-OE1 3.16Å |
| 78 | E | 95.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 22 Ų | 22 | 25% | 0.248 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -62.3 | -37.4 | 178.2 | 74.9 | 80.4 | -170.7 | 0 | 0 | 112.9 | F80 V81 F82 V106 N286 | E78-F80 VanDerWaalsContact C-N 3.26Å; E78-F80 PolarHBondContact O-N 2.6Å; E78-V81 PolarHBondContact O-N 3.13Å; E78-F82 HydrophobicContact CB-CD2 4.04Å; E78-F82 HydrophobicContact CB-CE2 4.46Å; E78-F82 PolarHBondContact O-N 3.04Å; E78-V106 HydrophobicContact CB-CG1 4.24Å; E78-V106 HydrophobicContact CB-CG2 4.17Å; E78-V106 HydrophobicContact CG-CG1 4.23Å; E78-V106 HydrophobicContact CG-CG2 4.23Å; E78-N286 HydrophobicContact CG-CB 3.88Å; E78-N286 PolarHBondContact N-O 2.82Å; E78-N286 VanDerWaalsContact N-O 3.17Å |
| 79 | D | 94.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 23.3 Ų | 23.3 | 25% | 0.251 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -71.2 | -19.5 | -175.6 | 67.2 | -29.8 | 0 | 0 | 0 | 113.4 | R77 V81 G83 | R77-D79 VanDerWaalsContact C-N 3.3Å; R77-D79 WeakPolarHBondContact CB-OD1 3.37Å; R77-D79 IonicContact CZ-OD1 2.73Å; R77-D79 IonicContact CZ-OD2 3.66Å; R77-D79 IonicContact NE-OD1 2.78Å; R77-D79 PolarHBondContact NE-OD1 3.39Å; R77-D79 IonicContact NE-OD2 3.75Å; R77-D79 IonicContact NH2-OD1 2.9Å; R77-D79 IonicContact NH2-OD2 3.56Å; R77-D79 PolarHBondContact NH2-OD2 2.85Å; R77-D79 PolarHBondContact O-N 2.92Å; D79-V81 PolarHBondContact O-N 2.71Å; D79-G83 VanDerWaalsContact O-CA 3.24Å; D79-G83 WeakPolarHBondContact O-CA 3.3Å; D79-G83 PolarHBondContact O-N 2.94Å; D79-G83 VanDerWaalsContact O-N 3.12Å |
| 80 | F | 95.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -66.3 | -21.6 | 169.9 | -67.1 | -18.6 | 0 | 0 | 0 | 113.4 | L76 R77 E78 G86 L218 P227 V232 L236 | L76-F80 HydrophobicContact CD1-CB 4.39Å; L76-F80 HydrophobicContact CD1-CD2 4.42Å; R77-F80 HydrophobicContact CB-CD2 3.9Å; R77-F80 HydrophobicContact CB-CE2 4.07Å; R77-F80 HydrophobicContact CB-CG 4.17Å; R77-F80 HydrophobicContact CB-CZ 4.49Å; R77-F80 HydrophobicContact CG-CD2 4.48Å; R77-F80 HydrophobicContact CG-CE2 4.16Å; R77-F80 HydrophobicContact CG-CZ 4.43Å; R77-F80 PolarHBondContact O-N 3.03Å; E78-F80 VanDerWaalsContact C-N 3.26Å; E78-F80 PolarHBondContact O-N 2.6Å; F80-G86 WeakPolarHBondContact O-CA 3.4Å; F80-L218 HydrophobicContact CD2-CD2 4.22Å; F80-L218 HydrophobicContact CE2-CD1 4.37Å; F80-L218 HydrophobicContact CE2-CD2 4.23Å; F80-P227 HydrophobicContact CE1-CB 4.16Å; F80-P227 HydrophobicContact CZ-CB 3.69Å; F80-V232 HydrophobicContact CE1-CG1 4.31Å; F80-V232 HydrophobicContact CE2-CG1 4.44Å; F80-V232 HydrophobicContact CZ-CG1 4.08Å; F80-L236 HydrophobicContact CB-CD1 3.86Å; F80-L236 HydrophobicContact CB-CD2 4.48Å; F80-L236 HydrophobicContact CD1-CD1 4.25Å; F80-L236 HydrophobicContact CD2-CD1 4.03Å; F80-L236 HydrophobicContact CD2-CD2 4.31Å; F80-L236 HydrophobicContact CG-CD1 3.8Å |
| 81 | V | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -49.3 | -178.6 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | L76 E78 D79 M90 T93 R94 A288 | L76-V81 HydrophobicContact CD1-CG2 4.23Å; L76-V81 HydrophobicContact CD2-CG2 4.46Å; L76-V81 HydrophobicContact CG-CG2 4.49Å; E78-V81 PolarHBondContact O-N 3.13Å; D79-V81 PolarHBondContact O-N 2.71Å; V81-M90 HydrophobicContact CG2-SD 3.78Å; V81-T93 HydrophobicContact CG1-CG2 3.85Å; V81-R94 PolarHBondContact O-NH1 3.47Å; V81-A288 HydrophobicContact CB-CB 4.15Å; V81-A288 HydrophobicContact CG2-CB 3.71Å |
| 82 | F | 94.1 | Very high | 94.4 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -23.3 | -173.1 | -51.8 | -47.3 | 0 | 0 | 0 | 113.1 | E78 R94 V97 F105 V106 A288 V290 M302 P305 | E78-F82 HydrophobicContact CB-CD2 4.04Å; E78-F82 HydrophobicContact CB-CE2 4.46Å; E78-F82 PolarHBondContact O-N 3.04Å; F82-R94 VanDerWaalsContact C-NH1 3.35Å; F82-R94 PolarHBondContact O-NH1 2.8Å; F82-V97 HydrophobicContact CD1-CG1 4.45Å; F82-V97 HydrophobicContact CE1-CG1 4.33Å; F82-V97 HydrophobicContact CE1-CG2 4.14Å; F82-F105 WeakPolarHBondContact CE2-O 3.09Å; F82-V106 HydrophobicContact CD2-CG2 4.37Å; F82-A288 HydrophobicContact CE2-CB 4.05Å; F82-A288 HydrophobicContact CZ-CB 4.3Å; F82-V290 HydrophobicContact CE1-CG2 4.06Å; F82-V290 HydrophobicContact CZ-CG2 3.95Å; F82-M302 HydrophobicContact CB-CE 4.34Å; F82-M302 HydrophobicContact CD1-CE 4.16Å; F82-P305 HydrophobicContact CB-CG 4.1Å; F82-P305 HydrophobicContact CD1-CG 3.85Å; F82-P305 HydrophobicContact CD2-CB 4.32Å; F82-P305 HydrophobicContact CD2-CG 3.8Å; F82-P305 HydrophobicContact CE1-CG 4.21Å; F82-P305 HydrophobicContact CE2-CB 4.28Å; F82-P305 HydrophobicContact CE2-CG 4.15Å; F82-P305 HydrophobicContact CG-CG 3.64Å; F82-P305 HydrophobicContact CZ-CG 4.35Å |
| 83 | G | 91.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -68.4 | 177.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | D79 S85 G86 | D79-G83 VanDerWaalsContact O-CA 3.24Å; D79-G83 WeakPolarHBondContact O-CA 3.3Å; D79-G83 PolarHBondContact O-N 2.94Å; D79-G83 VanDerWaalsContact O-N 3.12Å; G83-S85 VanDerWaalsContact C-N 3.25Å; G83-S85 PolarHBondContact O-N 2.87Å; G83-G86 PolarHBondContact O-N 2.89Å |
| 84 | P | 88.1 | Confident | 94.1 | Very high | 142 Ų | 142 | 30.1 Ų | 30.1 | 92% | 0.922 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.9 | -175.7 | -24.6 | 34.7 | 0 | 0 | 0 | 113.7 | G86 | P84-G86 VanDerWaalsContact C-N 3.3Š|
| 85 | S | 87.6 | Confident | 94 | Very high | 59 Ų | 59 | 35.1 Ų | 35.1 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.9 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | G83 G87 S88 H89 | G83-S85 VanDerWaalsContact C-N 3.25Å; G83-S85 PolarHBondContact O-N 2.87Å; S85-G87 VanDerWaalsContact C-N 3.25Å; S85-G87 PolarHBondContact O-N 2.89Å; S85-S88 PolarHBondContact O-N 3.15Å; S85-S88 PolarHBondContact O-OG 3.12Å; S85-H89 PolarHBondContact O-N 2.65Å |
| 86 | G | 87.9 | Confident | 94 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -35.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F80 G83 P84 S88 H89 M90 | F80-G86 WeakPolarHBondContact O-CA 3.4Å; G83-G86 PolarHBondContact O-N 2.89Å; P84-G86 VanDerWaalsContact C-N 3.3Å; G86-S88 VanDerWaalsContact C-N 3.27Å; G86-S88 PolarHBondContact O-N 3.1Å; G86-H89 PolarHBondContact O-N 3.06Å; G86-M90 CarbonylContact O-C 3.59Å; G86-M90 PolarHBondContact O-N 3.39Å |
| 87 | G | 90.3 | Very high | 93.8 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69 | -20.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S85 P91 | S85-G87 VanDerWaalsContact C-N 3.25Å; S85-G87 PolarHBondContact O-N 2.89Å; G87-P91 WeakPolarHBondContact O-CB 3.41Å |
| 88 | S | 93.2 | Very high | 93.7 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -97.7 | -24.8 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | S85 G86 R233 | S85-S88 PolarHBondContact O-N 3.15Å; S85-S88 PolarHBondContact O-OG 3.12Å; G86-S88 VanDerWaalsContact C-N 3.27Å; G86-S88 PolarHBondContact O-N 3.1Å; S88-R233 PolarHBondContact O-NE 3.12Å |
| 89 | H | 95 | Very high | 93.5 | Very high | 30 Ų | 30 | 40 Ų | 40 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -86.6 | -49.1 | 178.3 | -71 | 171.7 | 0 | 0 | 0 | 112.9 | S85 G86 L236 L237 | S85-H89 PolarHBondContact O-N 2.65Å; G86-H89 PolarHBondContact O-N 3.06Å; H89-L236 HydrophobicContact CB-CB 4.08Å; H89-L236 HydrophobicContact CB-CD1 3.68Å; H89-L236 CarbonylContact O-C 3.54Å; H89-L237 PolarHBondContact O-N 3.2Å |
| 90 | M | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -134.6 | 66.6 | -177.2 | -61.3 | -167.6 | 78.2 | 0 | 0 | 111.5 | L76 V81 G86 Y92 T93 R94 L236 M239 D240 L265 | L76-M90 HydrophobicContact CD1-SD 4.22Å; V81-M90 HydrophobicContact CG2-SD 3.78Å; G86-M90 CarbonylContact O-C 3.59Å; G86-M90 PolarHBondContact O-N 3.39Å; M90-Y92 PolarHBondContact O-N 2.85Å; M90-T93 PolarHBondContact O-N 2.88Å; M90-R94 VanDerWaalsContact O-CB 3.3Å; M90-R94 WeakPolarHBondContact O-CB 3.35Å; M90-R94 PolarHBondContact O-N 2.92Å; M90-L236 HydrophobicContact CG-CB 4.03Å; M90-L236 HydrophobicContact CG-CD2 4.45Å; M90-L236 HydrophobicContact SD-CD2 4.23Å; M90-M239 HydrophobicContact CE-CB 4.24Å; M90-D240 HydrophobicContact CB-CB 4.13Å; M90-D240 HydrophobicContact CE-CB 4.08Å; M90-D240 HydrophobicContact CG-CB 4.27Å; M90-L265 HydrophobicContact CE-CD2 4.15Å | ||
| 91 | P | 96.9 | Very high | 93.3 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -37.6 | -172.1 | 22.1 | -33.4 | 0 | 0 | 0 | 114.8 | G87 Y95 L237 D240 | G87-P91 WeakPolarHBondContact O-CB 3.41Å; P91-Y95 WeakPolarHBondContact O-CB 3.47Å; P91-Y95 PolarHBondContact O-N 3.22Å; P91-L237 HydrophobicContact CG-CD2 4.07Å; P91-D240 WeakPolarHBondContact CD-OD2 3.28Å; P91-D240 WeakPolarHBondContact CG-OD2 3.42Å |
| 92 | Y | 97.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.1 | -44.9 | 179.8 | -176.1 | -102.5 | 0 | 0 | 0 | 111.8 | M90 R94 Y95 L96 D240 L243 K244 H247 | M90-Y92 PolarHBondContact O-N 2.85Å; Y92-R94 VanDerWaalsContact C-N 3.28Å; Y92-R94 PolarHBondContact O-N 3.28Å; Y92-Y95 WeakPolarHBondContact O-CB 3.35Å; Y92-Y95 PolarHBondContact O-N 2.81Å; Y92-Y95 VanDerWaalsContact O-N 3.16Å; Y92-L96 HydrophobicContact CD1-CD1 4.07Å; Y92-L96 HydrophobicContact CD1-CG 4.42Å; Y92-L96 HydrophobicContact CE1-CD1 3.56Å; Y92-L96 HydrophobicContact CE1-CD2 4.48Å; Y92-L96 HydrophobicContact CE1-CG 4.04Å; Y92-L96 PolarHBondContact O-N 2.92Å; Y92-D240 WeakPolarHBondContact CA-OD2 3.36Å; Y92-D240 WeakPolarHBondContact CB-OD2 3.34Å; Y92-D240 PolarHBondContact N-OD1 3.46Å; Y92-D240 PolarHBondContact N-OD2 2.67Å; Y92-L243 HydrophobicContact CD1-CD2 3.72Å; Y92-L243 HydrophobicContact CE1-CD2 3.86Å; Y92-K244 HydrophobicContact CD1-CB 3.49Å; Y92-K244 VanDerWaalsContact CD1-CB 3.49Å; Y92-K244 HydrophobicContact CD1-CG 3.91Å; Y92-K244 HydrophobicContact CD2-CB 4.36Å; Y92-K244 HydrophobicContact CD2-CD 3.93Å; Y92-K244 HydrophobicContact CD2-CG 3.93Å; Y92-K244 VanDerWaalsContact CE1-CA 3.43Å; Y92-K244 HydrophobicContact CE1-CB 3.72Å; Y92-K244 HydrophobicContact CE1-CG 3.88Å; Y92-K244 HydrophobicContact CE2-CD 4.28Å; Y92-K244 HydrophobicContact CE2-CG 3.89Å; Y92-K244 HydrophobicContact CG-CB 3.83Å; Y92-K244 HydrophobicContact CG-CD 4.04Å; Y92-K244 HydrophobicContact CG-CG 3.92Å; Y92-H247 HydrophobicContact CE1-CB 4.28Å; Y92-H247 AromaticContact CE1-ND1 3.86Å; Y92-H247 AromaticContact CZ-ND1 3.71Å; Y92-H247 PolarHBondContact OH-ND1 3.44Å |
| 93 | T | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 173.3 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | V81 M90 Y95 L96 V97 D240 L243 L265 V290 | V81-T93 HydrophobicContact CG1-CG2 3.85Å; M90-T93 PolarHBondContact O-N 2.88Å; T93-Y95 VanDerWaalsContact C-N 3.33Å; T93-Y95 PolarHBondContact O-N 3.18Å; T93-L96 PolarHBondContact O-N 2.88Å; T93-L96 VanDerWaalsContact O-N 3.11Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 3.11Å; T93-D240 VanDerWaalsContact CB-OD1 3.27Å; T93-D240 WeakPolarHBondContact CB-OD1 3.29Å; T93-D240 PolarHBondContact N-OD1 3.12Å; T93-D240 PolarHBondContact OG1-OD1 2.85Å; T93-L243 HydrophobicContact CG2-CD1 4.46Å; T93-L265 HydrophobicContact CG2-CD2 3.74Å; T93-V290 HydrophobicContact CG2-CG2 4.45Å |
| 94 | R | 94.4 | Very high | 93.5 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -44.7 | 174.7 | -174.6 | 63.3 | 179.8 | -151.2 | 2.5 | 112.1 | V81 F82 M90 Y92 L96 V97 E98 M302 | V81-R94 PolarHBondContact O-NH1 3.47Å; F82-R94 VanDerWaalsContact C-NH1 3.35Å; F82-R94 PolarHBondContact O-NH1 2.8Å; M90-R94 VanDerWaalsContact O-CB 3.3Å; M90-R94 WeakPolarHBondContact O-CB 3.35Å; M90-R94 PolarHBondContact O-N 2.92Å; Y92-R94 VanDerWaalsContact C-N 3.28Å; Y92-R94 PolarHBondContact O-N 3.28Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 2.75Å; R94-V97 PolarHBondContact O-N 3.37Å; R94-E98 IonicContact CZ-OE1 3.46Å; R94-E98 IonicContact NE-OE1 2.72Å; R94-E98 PolarHBondContact NE-OE1 3.17Å; R94-E98 IonicContact NH2-OE1 3.63Å; R94-E98 PolarHBondContact NH2-OE1 2.88Å; R94-E98 WeakPolarHBondContact O-CG 3.41Å; R94-E98 PolarHBondContact O-N 2.96Å; R94-M302 PolarHBondContact NH2-SD 3.43Å |
| 95 | Y | 95 | Very high | 93.9 | Very high | 106 Ų | 106 | 34.1 Ų | 34.1 | 42% | 0.416 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 174.5 | 168.1 | -92.6 | 0 | 0 | 0 | 112.6 | P91 Y92 T93 E98 K99 | P91-Y95 WeakPolarHBondContact O-CB 3.47Å; P91-Y95 PolarHBondContact O-N 3.22Å; Y92-Y95 WeakPolarHBondContact O-CB 3.35Å; Y92-Y95 PolarHBondContact O-N 2.81Å; Y92-Y95 VanDerWaalsContact O-N 3.16Å; T93-Y95 VanDerWaalsContact C-N 3.33Å; T93-Y95 PolarHBondContact O-N 3.18Å; Y95-E98 PolarHBondContact O-N 3.35Å; Y95-K99 HydrophobicContact CD2-CB 4.48Å; Y95-K99 HydrophobicContact CD2-CD 4.25Å; Y95-K99 HydrophobicContact CE2-CB 4.19Å; Y95-K99 HydrophobicContact CE2-CD 4Å; Y95-K99 PolarHBondContact O-N 3.4Å |
| 96 | L | 94.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 177.6 | -67.5 | -179.9 | 0 | 0 | 0 | 112.9 | Y92 T93 R94 E98 G100 S102 L243 I292 | Y92-L96 HydrophobicContact CD1-CD1 4.07Å; Y92-L96 HydrophobicContact CD1-CG 4.42Å; Y92-L96 HydrophobicContact CE1-CD1 3.56Å; Y92-L96 HydrophobicContact CE1-CD2 4.48Å; Y92-L96 HydrophobicContact CE1-CG 4.04Å; Y92-L96 PolarHBondContact O-N 2.92Å; T93-L96 PolarHBondContact O-N 2.88Å; T93-L96 VanDerWaalsContact O-N 3.11Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 2.75Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-G100 WeakPolarHBondContact O-CA 3.39Å; L96-G100 PolarHBondContact O-N 3.27Å; L96-S102 PolarHBondContact O-OG 3.39Å; L96-L243 HydrophobicContact CD1-CD2 3.82Å; L96-I292 HydrophobicContact CD1-CD1 3.63Å; L96-I292 HydrophobicContact CD1-CG1 4.25Å; L96-I292 HydrophobicContact CD1-CG2 4.41Å |
| 97 | V | 93.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | F82 T93 R94 V290 K299 M302 | F82-V97 HydrophobicContact CD1-CG1 4.45Å; F82-V97 HydrophobicContact CE1-CG1 4.33Å; F82-V97 HydrophobicContact CE1-CG2 4.14Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 3.11Å; R94-V97 PolarHBondContact O-N 3.37Å; V97-V290 HydrophobicContact CG2-CG1 3.94Å; V97-V290 HydrophobicContact CG2-CG2 4.09Å; V97-K299 WeakPolarHBondContact O-CD 3.3Å; V97-M302 HydrophobicContact CG1-CE 3.95Å; V97-M302 HydrophobicContact CG1-SD 3.78Å |
| 98 | E | 92.8 | Very high | 95.1 | Very high | 52 Ų | 52 | 33 Ų | 33 | 24% | 0.243 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -84.5 | -35.6 | -176.4 | -68.8 | 179.1 | 174.9 | 0 | 0 | 113.8 | R94 Y95 L96 G301 M302 | R94-E98 IonicContact CZ-OE1 3.46Å; R94-E98 IonicContact NE-OE1 2.72Å; R94-E98 PolarHBondContact NE-OE1 3.17Å; R94-E98 IonicContact NH2-OE1 3.63Å; R94-E98 PolarHBondContact NH2-OE1 2.88Å; R94-E98 WeakPolarHBondContact O-CG 3.41Å; R94-E98 PolarHBondContact O-N 2.96Å; Y95-E98 PolarHBondContact O-N 3.35Å; L96-E98 VanDerWaalsContact C-N 3.34Å; E98-G301 CarbonylContact O-C 3.53Å; E98-G301 WeakPolarHBondContact O-CA 3.34Å; E98-G301 PolarHBondContact O-N 3.37Å; E98-M302 HydrophobicContact CG-CB 4.04Å; E98-M302 HydrophobicContact CG-CG 4.49Å; E98-M302 HydrophobicContact CG-SD 3.67Å |
| 99 | K | 92.3 | Very high | 95 | Very high | 108 Ų | 108 | 30.5 Ų | 30.5 | 47% | 0.47 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -136.2 | -4 | -166.6 | -60.4 | -176.3 | -177.1 | 177.7 | 0 | 114.5 | Y95 R298 | Y95-K99 HydrophobicContact CD2-CB 4.48Å; Y95-K99 HydrophobicContact CD2-CD 4.25Å; Y95-K99 HydrophobicContact CE2-CB 4.19Å; Y95-K99 HydrophobicContact CE2-CD 4Å; Y95-K99 PolarHBondContact O-N 3.4Å; K99-R298 WeakPolarHBondContact O-CG 3.48Å; K99-R298 PolarHBondContact O-NE 3.14Å |
| 100 | G | 91.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -87.9 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L96 S102 K299 | L96-G100 WeakPolarHBondContact O-CA 3.39Å; L96-G100 PolarHBondContact O-N 3.27Å; G100-S102 PolarHBondContact O-N 2.63Å; G100-K299 PolarHBondContact O-N 2.81Å |
| 101 | S | 93.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -84.9 | 85.2 | 165.3 | -67.5 | 0 | 0 | 0 | 0 | 108.6 | S293 F296 | S101-S293 WeakPolarHBondContact CB-O 3.47Å; S101-S293 PolarHBondContact O-N 3.39Å; S101-S293 VanDerWaalsContact O-N 3.14Å; S101-F296 WeakPolarHBondContact CB-O 3.35Å; S101-F296 PolarHBondContact OG-O 2.89Å |
| 102 | S | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.1 | -175.5 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | L96 G100 L291 K299 | L96-S102 PolarHBondContact O-OG 3.39Å; G100-S102 PolarHBondContact O-N 2.63Å; S102-L291 CarbonylContact C-O 3.56Å; S102-L291 WeakPolarHBondContact CA-O 3.28Å; S102-L291 WeakPolarHBondContact CB-O 3.33Å; S102-K299 WeakPolarHBondContact O-CE 3.25Å; S102-K299 PolarHBondContact O-NZ 3.18Å |
| 103 | H | 95.3 | Very high | 92.4 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 12% | 0.116 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 146.1 | 162.4 | -66.2 | -75.8 | 0 | 0 | 0 | 109.7 | F105 V290 L291 F296 G336 E339 | H103-F105 HydrophobicContact CB-CE2 3.64Å; H103-F105 HydrophobicContact CB-CZ 3.96Å; H103-V290 WeakPolarHBondContact O-CA 3.37Å; H103-L291 HydrophobicContact CB-CB 4.42Å; H103-L291 PolarHBondContact N-O 3.24Å; H103-L291 PolarHBondContact O-N 3.1Å; H103-F296 AromaticContact CD2-CD1 3.71Å; H103-F296 AromaticContact CD2-CD2 3.72Å; H103-F296 AromaticContact CD2-CG 3.56Å; H103-F296 AromaticContact NE2-CD1 3.75Å; H103-F296 AromaticContact NE2-CG 3.77Å; H103-G336 PolarHBondContact NE2-O 3.2Å; H103-G336 VanDerWaalsContact NE2-O 3.13Å; H103-E339 IonicContact CE1-OE2 2.71Å |
| 104 | S | 94.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 131.6 | -171.2 | -41.7 | 0 | 0 | 0 | 0 | 109.7 | L289 K299 G306 | S104-L289 WeakPolarHBondContact CA-O 3.33Å; S104-K299 PolarHBondContact OG-NZ 3.25Å; S104-G306 PolarHBondContact O-N 2.7Å |
| 105 | F | 96.6 | Very high | 91.4 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 13% | 0.127 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151.5 | -175.5 | -52.8 | -83.2 | 0 | 0 | 0 | 111 | F82 H103 L289 L291 G306 V308 I334 | F82-F105 WeakPolarHBondContact CE2-O 3.09Å; H103-F105 HydrophobicContact CB-CE2 3.64Å; H103-F105 HydrophobicContact CB-CZ 3.96Å; F105-L289 HydrophobicContact CB-CB 4.38Å; F105-L289 HydrophobicContact CB-CD2 4.39Å; F105-L289 HydrophobicContact CD2-CD2 4.16Å; F105-L289 HydrophobicContact CD2-CG 4.49Å; F105-L289 PolarHBondContact N-O 3.32Å; F105-L289 PolarHBondContact O-N 2.94Å; F105-L291 HydrophobicContact CE2-CD1 4.22Å; F105-G306 CarbonylContact C-O 3.59Å; F105-G306 WeakPolarHBondContact CA-O 3.49Å; F105-G306 WeakPolarHBondContact CB-O 3.47Å; F105-V308 HydrophobicContact CB-CG1 4.12Å; F105-V308 HydrophobicContact CB-CG2 3.75Å; F105-V308 HydrophobicContact CD1-CG1 3.61Å; F105-V308 HydrophobicContact CD2-CG1 4.48Å; F105-V308 HydrophobicContact CE1-CG1 4.13Å; F105-V308 HydrophobicContact CG-CG1 3.82Å; F105-V308 HydrophobicContact CG-CG2 4.21Å; F105-I334 HydrophobicContact CE1-CG2 4.27Å; F105-I334 HydrophobicContact CE2-CG2 3.67Å; F105-I334 HydrophobicContact CZ-CG2 3.52Å |
| 106 | V | 97.7 | Very high | 90.9 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.4 | 157.6 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | E78 F82 N286 P305 G306 E307 V308 | E78-V106 HydrophobicContact CB-CG1 4.24Å; E78-V106 HydrophobicContact CB-CG2 4.17Å; E78-V106 HydrophobicContact CG-CG1 4.23Å; E78-V106 HydrophobicContact CG-CG2 4.23Å; F82-V106 HydrophobicContact CD2-CG2 4.37Å; V106-N286 HydrophobicContact CG1-CB 3.71Å; V106-P305 HydrophobicContact CG2-CB 4.3Å; V106-G306 PolarHBondContact N-O 2.72Å; V106-E307 WeakPolarHBondContact O-CA 3.32Å; V106-V308 PolarHBondContact O-N 2.75Å |
| 107 | A | 96.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110 | A109 T287 L289 V308 | A107-A109 PolarHBondContact O-N 3.32Å; A107-T287 PolarHBondContact N-O 3.35Å; A107-T287 PolarHBondContact O-N 2.82Å; A107-T287 PolarHBondContact O-OG1 3.39Å; A107-L289 HydrophobicContact CB-CB 3.87Å; A107-L289 HydrophobicContact CB-CD2 4.38Å; A107-V308 WeakPolarHBondContact CA-O 3.48Å; A107-V308 HydrophobicContact CB-CG2 4.08Å |
| 108 | K | 95.8 | Very high | 90.4 | Very high | 58 Ų | 58 | 25.3 Ų | 25.3 | 25% | 0.252 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111.9 | -179.7 | -66.1 | -170.8 | -179.6 | 175.1 | 0 | 111.2 | R110 V285 E307 V308 Q310 | K108-R110 PolarHBondContact O-N 3.12Å; K108-V285 WeakPolarHBondContact CA-O 3.09Å; K108-V285 HydrophobicContact CB-CG1 4.13Å; K108-V285 HydrophobicContact CG-CG1 4.48Å; K108-E307 WeakPolarHBondContact CE-OE2 3.34Å; K108-E307 VanDerWaalsContact NZ-CD 3.32Å; K108-E307 IonicContact NZ-OE1 3.2Å; K108-E307 IonicContact NZ-OE2 2.79Å; K108-E307 PolarHBondContact NZ-OE2 3.46Å; K108-V308 PolarHBondContact N-O 3.17Å; K108-Q310 WeakPolarHBondContact O-CB 3.03Å; K108-Q310 PolarHBondContact O-N 3.5Å; K108-Q310 VanDerWaalsContact O-N 3.08Å |
| 109 | A | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -88.2 | 97.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A107 T113 V285 T287 | A107-A109 PolarHBondContact O-N 3.32Å; A109-T113 HydrophobicContact CB-CG2 4.33Å; A109-T113 WeakPolarHBondContact O-CG2 3.09Å; A109-V285 PolarHBondContact N-O 2.82Å; A109-V285 WeakPolarHBondContact O-CG1 3.35Å; A109-T287 HydrophobicContact CB-CG2 4.42Å | ||
| 110 | R | 84.8 | Confident | 90.3 | Very high | 87 Ų | 87 | 18.1 Ų | 18.1 | 33% | 0.328 | 9% | 0.094 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 142.9 | -179.7 | -67.7 | -168.7 | -178.7 | -154.1 | -0.7 | 111.6 | K108 R118 I127 E309 | K108-R110 PolarHBondContact O-N 3.12Å; R110-R118 PolarHBondContact O-NH1 3.27Å; R110-R118 VanDerWaalsContact O-NH1 3.15Å; R110-R118 PolarHBondContact O-NH2 3.31Å; R110-I127 HydrophobicContact CB-CG2 4.43Å; R110-E309 IonicContact CZ-OE2 3.38Å; R110-E309 IonicContact NE-OE2 3.36Å; R110-E309 PolarHBondContact NE-OE2 2.82Å; R110-E309 IonicContact NH2-OE2 2.94Å; R110-E309 PolarHBondContact NH2-OE2 3.21Å |
| 111 | P | 79.5 | Confident | 90.3 | Very high | 35 Ų | 35 | 17.7 Ų | 17.7 | 23% | 0.227 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -58 | 148.4 | 175.3 | -23.5 | 33.1 | 0 | 0 | 0 | 112.6 | F130 G279 | P111-F130 HydrophobicContact CB-CE2 4.42Å; P111-F130 HydrophobicContact CB-CZ 4.2Å; P111-G279 WeakPolarHBondContact CB-O 3.42Å; P111-G279 WeakPolarHBondContact CG-O 3.41Å |
| 112 | P | 82 | Confident | 90.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | P | Polyproline II helix | cis | -76.5 | 133.4 | -0.5 | 29.8 | -33.5 | 0 | 0 | 0 | 112 | V114 P117 R118 F130 V133 | P112-V114 HydrophobicContact CB-CG2 4.29Å; P112-V114 PolarHBondContact O-N 3.26Å; P112-P117 HydrophobicContact CG-CB 4.32Å; P112-P117 HydrophobicContact CG-CG 4.3Å; P112-R118 PolarHBondContact O-NE 3.06Å; P112-R118 PolarHBondContact O-NH2 3.14Å; P112-F130 HydrophobicContact CB-CD1 4.27Å; P112-F130 HydrophobicContact CB-CE1 4.05Å; P112-F130 HydrophobicContact CB-CZ 4.41Å; P112-F130 HydrophobicContact CG-CD1 4.5Å; P112-V133 HydrophobicContact CB-CG2 3.79Å; P112-V133 HydrophobicContact CG-CG2 3.48Å; P112-V133 VanDerWaalsContact CG-CG2 3.48Å |
| 113 | T | 85.8 | Confident | 90.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -83.2 | 58.9 | 177.2 | 46.3 | 0 | 0 | 0 | 0 | 110.7 | A109 H269 H277 G278 G279 E284 V285 | A109-T113 HydrophobicContact CB-CG2 4.33Å; A109-T113 WeakPolarHBondContact O-CG2 3.09Å; T113-H269 HydrophobicContact CG2-CB 4.31Å; T113-H277 PolarHBondContact O-ND1 3.21Å; T113-G278 WeakPolarHBondContact O-CA 3.27Å; T113-G278 PolarHBondContact O-N 2.98Å; T113-G278 VanDerWaalsContact O-N 3.1Å; T113-G278 VanDerWaalsContact OG1-C 3.23Å; T113-G278 WeakPolarHBondContact OG1-CA 3.3Å; T113-G278 PolarHBondContact OG1-N 2.97Å; T113-G279 PolarHBondContact OG1-N 2.87Å; T113-G279 PolarHBondContact OG1-O 3.25Å; T113-G279 VanDerWaalsContact OG1-O 3.08Å; T113-E284 HydrophobicContact CG2-CB 4.29Å; T113-E284 WeakPolarHBondContact CG2-O 3.4Å; T113-V285 HydrophobicContact CG2-CG2 4.2Å | ||
| 114 | V | 84.3 | Confident | 90.2 | Very high | 28 Ų | 28 | 15.2 Ų | 15.2 | 17% | 0.17 | 8% | 0.075 | C | C | . | . | trans | -116 | 137.5 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | P112 M116 P117 R118 V133 | P112-V114 HydrophobicContact CB-CG2 4.29Å; P112-V114 PolarHBondContact O-N 3.26Å; V114-M116 PolarHBondContact O-N 3.03Å; V114-P117 HydrophobicContact CB-CG 4.2Å; V114-P117 WeakPolarHBondContact O-CD 3.14Å; V114-R118 VanDerWaalsContact O-CG 3.31Å; V114-R118 WeakPolarHBondContact O-CG 3.42Å; V114-R118 PolarHBondContact O-N 3.32Å; V114-R118 VanDerWaalsContact O-N 3.12Å; V114-V133 HydrophobicContact CG2-CG2 4.32Å | ||
| 115 | T | 85.8 | Confident | 90.1 | Very high | 20 Ų | 20 | 14.9 Ų | 14.9 | 12% | 0.123 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -41.2 | -56.5 | -173.2 | -45.6 | 0 | 0 | 0 | 0 | 114.3 | D74 R118 I119 D268 H269 | D74-T115 WeakPolarHBondContact OD2-CG2 3.4Å; D74-T115 PolarHBondContact OD2-OG1 3Å; T115-R118 WeakPolarHBondContact O-CB 3.4Å; T115-R118 PolarHBondContact O-N 3.19Å; T115-I119 HydrophobicContact CG2-CD1 3.88Å; T115-I119 HydrophobicContact CG2-CG1 4.49Å; T115-I119 WeakPolarHBondContact O-CG1 3.39Å; T115-I119 PolarHBondContact O-N 3.01Å; T115-D268 WeakPolarHBondContact CA-OD2 3.36Å; T115-D268 WeakPolarHBondContact CG2-OD2 3.37Å; T115-H269 PolarHBondContact OG1-NE2 3.34Å |
| 116 | M | 85.6 | Confident | 89.6 | Confident | 17 Ų | 17 | 14.2 Ų | 14.2 | 8% | 0.084 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.4 | -50.1 | -174.9 | -175 | -101.1 | -91.8 | 0 | 0 | 114.2 | V114 R118 I119 K120 N136 T165 L169 | V114-M116 PolarHBondContact O-N 3.03Å; M116-R118 PolarHBondContact O-N 3.39Å; M116-I119 PolarHBondContact O-N 3.33Å; M116-K120 PolarHBondContact O-N 2.88Å; M116-N136 HydrophobicContact CE-CB 3.34Å; M116-N136 WeakPolarHBondContact CE-O 2.97Å; M116-N136 HydrophobicContact SD-CB 4.31Å; M116-T165 HydrophobicContact CB-CG2 3.85Å; M116-T165 HydrophobicContact CG-CG2 3.72Å; M116-L169 HydrophobicContact CG-CD1 4.02Å; M116-L169 HydrophobicContact CG-CD2 4.25Å; M116-L169 HydrophobicContact CG-CG 4.49Å; M116-L169 HydrophobicContact SD-CD2 4.34Å |
| 117 | P | 84.8 | Confident | 88.8 | Confident | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.013 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -50.4 | -39.3 | 168.4 | -30.7 | 33.5 | 0 | 0 | 0 | 113.8 | P112 V114 K120 A121 P128 V133 | P112-P117 HydrophobicContact CG-CB 4.32Å; P112-P117 HydrophobicContact CG-CG 4.3Å; V114-P117 HydrophobicContact CB-CG 4.2Å; V114-P117 WeakPolarHBondContact O-CD 3.14Å; P117-K120 WeakPolarHBondContact O-CB 3.42Å; P117-K120 PolarHBondContact O-N 3.46Å; P117-A121 PolarHBondContact O-N 2.79Å; P117-P128 HydrophobicContact CB-CB 3.77Å; P117-P128 HydrophobicContact CB-CG 4.05Å; P117-P128 WeakPolarHBondContact O-CG 3.46Å; P117-V133 HydrophobicContact CG-CG2 3.81Å |
| 118 | R | 91.7 | Very high | 87.7 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -71.5 | -39.8 | -179.3 | -61.5 | -58.2 | 92.2 | -158.4 | 16.6 | 112.8 | R110 P112 V114 T115 M116 K120 A121 L122 D268 H269 Q310 | R110-R118 PolarHBondContact O-NH1 3.27Å; R110-R118 VanDerWaalsContact O-NH1 3.15Å; R110-R118 PolarHBondContact O-NH2 3.31Å; P112-R118 PolarHBondContact O-NE 3.06Å; P112-R118 PolarHBondContact O-NH2 3.14Å; V114-R118 VanDerWaalsContact O-CG 3.31Å; V114-R118 WeakPolarHBondContact O-CG 3.42Å; V114-R118 PolarHBondContact O-N 3.32Å; V114-R118 VanDerWaalsContact O-N 3.12Å; T115-R118 WeakPolarHBondContact O-CB 3.4Å; T115-R118 PolarHBondContact O-N 3.19Å; M116-R118 PolarHBondContact O-N 3.39Å; R118-K120 VanDerWaalsContact C-N 3.28Å; R118-K120 PolarHBondContact O-N 2.63Å; R118-A121 WeakPolarHBondContact O-CB 3.2Å; R118-A121 PolarHBondContact O-N 3.29Å; R118-A121 VanDerWaalsContact O-N 3.13Å; R118-L122 WeakPolarHBondContact O-CG 3.37Å; R118-L122 PolarHBondContact O-N 3Å; R118-D268 HydrophobicContact CB-CB 3.87Å; R118-D268 WeakPolarHBondContact CB-O 3.43Å; R118-D268 WeakPolarHBondContact CD-O 3.38Å; R118-D268 WeakPolarHBondContact CG-O 3.35Å; R118-H269 HydrophobicContact CG-CB 4.35Å; R118-Q310 VanDerWaalsContact NH1-OE1 3.12Å |
| 119 | I | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | 170.8 | -66.8 | 166.1 | 0 | 0 | 0 | 110.3 | T115 M116 L122 T123 T165 W166 L169 F170 | T115-I119 HydrophobicContact CG2-CD1 3.88Å; T115-I119 HydrophobicContact CG2-CG1 4.49Å; T115-I119 WeakPolarHBondContact O-CG1 3.39Å; T115-I119 PolarHBondContact O-N 3.01Å; M116-I119 PolarHBondContact O-N 3.33Å; I119-L122 PolarHBondContact O-N 3.5Å; I119-T123 WeakPolarHBondContact O-CG2 3.33Å; I119-T123 PolarHBondContact O-N 2.88Å; I119-T123 PolarHBondContact O-OG1 3.41Å; I119-T165 HydrophobicContact CD1-CG2 3.83Å; I119-W166 HydrophobicContact CG1-CZ2 4.2Å; I119-W166 HydrophobicContact CG2-CD2 3.93Å; I119-W166 HydrophobicContact CG2-CE3 4.24Å; I119-W166 HydrophobicContact CG2-CG 4.49Å; I119-W166 HydrophobicContact CG2-CH2 4.11Å; I119-W166 HydrophobicContact CG2-CZ2 3.79Å; I119-W166 HydrophobicContact CG2-CZ3 4.32Å; I119-L169 HydrophobicContact CB-CD1 4.24Å; I119-L169 HydrophobicContact CG2-CD1 3.7Å; I119-F170 HydrophobicContact CG2-CE2 4.15Å |
| 120 | K | 89.7 | Confident | 85 | Confident | 8 Ų | 8 | 13.2 Ų | 13.2 | 4% | 0.035 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.5 | -51.3 | 173.7 | -174.1 | 176.9 | 176.2 | 177.2 | 0 | 110.2 | M116 P117 R118 L122 T123 T124 D132 L142 E144 | M116-K120 PolarHBondContact O-N 2.88Å; P117-K120 WeakPolarHBondContact O-CB 3.42Å; P117-K120 PolarHBondContact O-N 3.46Å; R118-K120 VanDerWaalsContact C-N 3.28Å; R118-K120 PolarHBondContact O-N 2.63Å; K120-L122 PolarHBondContact O-N 2.87Å; K120-T123 PolarHBondContact O-N 3.47Å; K120-T123 VanDerWaalsContact O-N 3.13Å; K120-T123 PolarHBondContact O-OG1 2.96Å; K120-T123 VanDerWaalsContact O-OG1 3.12Å; K120-T124 HydrophobicContact CG-CG2 4.01Å; K120-T124 WeakPolarHBondContact O-CB 3.08Å; K120-T124 PolarHBondContact O-N 2.77Å; K120-T124 PolarHBondContact O-OG1 3.39Å; K120-D132 IonicContact NZ-OD1 2.67Å; K120-D132 PolarHBondContact NZ-OD1 2.94Å; K120-D132 IonicContact NZ-OD2 3.33Å; K120-L142 HydrophobicContact CD-CD1 3.95Å; K120-L142 HydrophobicContact CG-CD1 4.11Å; K120-L142 HydrophobicContact CG-CD2 4.33Å; K120-E144 WeakPolarHBondContact CE-OE1 3.36Å; K120-E144 WeakPolarHBondContact CE-OE2 3.38Å; K120-E144 IonicContact NZ-OE1 2.62Å; K120-E144 PolarHBondContact NZ-OE1 3.19Å; K120-E144 IonicContact NZ-OE2 3.72Å |
| 121 | A | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P117 R118 T123 G125 S126 P128 V311 | P117-A121 PolarHBondContact O-N 2.79Å; R118-A121 WeakPolarHBondContact O-CB 3.2Å; R118-A121 PolarHBondContact O-N 3.29Å; R118-A121 VanDerWaalsContact O-N 3.13Å; A121-T123 VanDerWaalsContact C-N 3.26Å; A121-T123 PolarHBondContact O-N 3.36Å; A121-G125 VanDerWaalsContact O-CA 3.28Å; A121-G125 WeakPolarHBondContact O-CA 3.44Å; A121-G125 PolarHBondContact O-N 3.11Å; A121-S126 WeakPolarHBondContact CA-O 3.32Å; A121-P128 HydrophobicContact CB-CG 3.85Å; A121-V311 HydrophobicContact CB-CG1 4.25Å |
| 122 | L | 95.3 | Very high | 82.9 | Confident | 6 Ų | 6 | 9.4 Ų | 9.4 | 3% | 0.031 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.9 | -30.7 | 178.9 | -74.5 | 167 | 0 | 0 | 0 | 112.9 | R118 I119 K120 D268 Q310 L313 | R118-L122 WeakPolarHBondContact O-CG 3.37Å; R118-L122 PolarHBondContact O-N 3Å; I119-L122 PolarHBondContact O-N 3.5Å; K120-L122 PolarHBondContact O-N 2.87Å; L122-D268 HydrophobicContact CD1-CB 4.19Å; L122-Q310 HydrophobicContact CD2-CG 3.42Å; L122-Q310 VanDerWaalsContact CD2-CG 3.42Å; L122-Q310 HydrophobicContact CG-CG 3.89Å; L122-L313 HydrophobicContact CD2-CD2 3.71Å |
| 123 | T | 95 | Very high | 81.9 | Confident | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -101 | -30.9 | -172.7 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | I119 K120 A121 L147 I148 W166 F170 | I119-T123 WeakPolarHBondContact O-CG2 3.33Å; I119-T123 PolarHBondContact O-N 2.88Å; I119-T123 PolarHBondContact O-OG1 3.41Å; K120-T123 PolarHBondContact O-N 3.47Å; K120-T123 VanDerWaalsContact O-N 3.13Å; K120-T123 PolarHBondContact O-OG1 2.96Å; K120-T123 VanDerWaalsContact O-OG1 3.12Å; A121-T123 VanDerWaalsContact C-N 3.26Å; A121-T123 PolarHBondContact O-N 3.36Å; T123-L147 WeakPolarHBondContact O-CB 3.46Å; T123-L147 PolarHBondContact O-N 3.41Å; T123-I148 HydrophobicContact CG2-CG1 4.2Å; T123-W166 HydrophobicContact CG2-CH2 3.66Å; T123-W166 HydrophobicContact CG2-CZ3 3.63Å; T123-F170 HydrophobicContact CG2-CE2 4.26Å; T123-F170 HydrophobicContact CG2-CZ 3.84Å |
| 124 | T | 92.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -94.9 | -27.8 | 177.6 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | K120 S126 L142 N146 S329 | K120-T124 HydrophobicContact CG-CG2 4.01Å; K120-T124 WeakPolarHBondContact O-CB 3.08Å; K120-T124 PolarHBondContact O-N 2.77Å; K120-T124 PolarHBondContact O-OG1 3.39Å; T124-S126 PolarHBondContact O-N 3.41Å; T124-S126 WeakPolarHBondContact OG1-CB 3.44Å; T124-S126 PolarHBondContact OG1-N 3.42Å; T124-S126 PolarHBondContact OG1-OG 2.95Å; T124-L142 HydrophobicContact CG2-CD2 3.83Å; T124-N146 HydrophobicContact CG2-CB 3.92Å; T124-S329 WeakPolarHBondContact O-CA 3.26Å; T124-S329 WeakPolarHBondContact O-CB 3.2Å |
| 125 | G | 92.4 | Very high | 79 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | 66.5 | 20.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A121 V311 A314 S329 V330 G331 | A121-G125 VanDerWaalsContact O-CA 3.28Å; A121-G125 WeakPolarHBondContact O-CA 3.44Å; A121-G125 PolarHBondContact O-N 3.11Å; G125-V311 WeakPolarHBondContact CA-O 3.44Å; G125-A314 VanDerWaalsContact N-CB 3.32Å; G125-S329 CarbonylContact O-C 3.6Å; G125-S329 WeakPolarHBondContact O-CA 3.04Å; G125-V330 WeakPolarHBondContact O-CG2 3.5Å; G125-V330 PolarHBondContact O-N 3.04Å; G125-G331 PolarHBondContact O-N 3.25Å | ||
| 126 | S | 86.6 | Confident | 77.4 | Confident | 14 Ų | 14 | 18.2 Ų | 18.2 | 10% | 0.098 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -98.3 | 152.9 | 172.8 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | A121 T124 P128 V311 | A121-S126 WeakPolarHBondContact CA-O 3.32Å; T124-S126 PolarHBondContact O-N 3.41Å; T124-S126 WeakPolarHBondContact OG1-CB 3.44Å; T124-S126 PolarHBondContact OG1-N 3.42Å; T124-S126 PolarHBondContact OG1-OG 2.95Å; S126-P128 WeakPolarHBondContact O-CD 3.43Å; S126-V311 WeakPolarHBondContact O-CG1 3.12Å |
| 127 | I | 80.8 | Confident | 76 | Confident | 26 Ų | 26 | 20.6 Ų | 20.6 | 13% | 0.133 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -84.8 | 119.4 | 176.6 | -62.2 | 167.8 | 0 | 0 | 0 | 108.2 | R110 V311 V330 L426 | R110-I127 HydrophobicContact CB-CG2 4.43Å; I127-V311 HydrophobicContact CG1-CG1 4.23Å; I127-V330 HydrophobicContact CD1-CG2 4.02Å; I127-V330 HydrophobicContact CG1-CG2 3.91Å; I127-L426 HydrophobicContact CB-CD1 3.93Å; I127-L426 HydrophobicContact CD1-CD1 3.86Å; I127-L426 HydrophobicContact CG1-CD1 4.2Å |
| 128 | P | 72.4 | Confident | 74.4 | Confident | 6 Ų | 6 | 23.9 Ų | 23.9 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 149.1 | 177.8 | -17.1 | 31.5 | 0 | 0 | 0 | 112.1 | P117 A121 S126 D132 | P117-P128 HydrophobicContact CB-CB 3.77Å; P117-P128 HydrophobicContact CB-CG 4.05Å; P117-P128 WeakPolarHBondContact O-CG 3.46Å; A121-P128 HydrophobicContact CB-CG 3.85Å; S126-P128 WeakPolarHBondContact O-CD 3.43Å; P128-D132 WeakPolarHBondContact CA-OD2 3.42Å |
| 129 | G | 66.1 | Low | 72.8 | Confident | 19 Ų | 19 | 24.4 Ų | 24.4 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -97.1 | 160.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I131 D132 | G129-I131 PolarHBondContact O-N 2.92Å; G129-D132 PolarHBondContact N-OD2 3.01Å; G129-D132 VanDerWaalsContact O-CB 3.24Å; G129-D132 WeakPolarHBondContact O-CB 3.3Å; G129-D132 PolarHBondContact O-N 2.76Å |
| 130 | F | 64.6 | Low | 71.5 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.2 | 172.9 | -86.2 | -88.1 | 0 | 0 | 0 | 113.3 | F28 P111 P112 D132 V133 I846 W932 P937 | F28-F130 HydrophobicContact CD1-CB 4.06Å; F28-F130 HydrophobicContact CE1-CB 3.63Å; F28-F130 HydrophobicContact CE1-CG 4.44Å; F28-F130 HydrophobicContact CZ-CB 4.44Å; P111-F130 HydrophobicContact CB-CE2 4.42Å; P111-F130 HydrophobicContact CB-CZ 4.2Å; P112-F130 HydrophobicContact CB-CD1 4.27Å; P112-F130 HydrophobicContact CB-CE1 4.05Å; P112-F130 HydrophobicContact CB-CZ 4.41Å; P112-F130 HydrophobicContact CG-CD1 4.5Å; F130-D132 PolarHBondContact O-N 3.19Å; F130-V133 WeakPolarHBondContact O-CB 3.37Å; F130-V133 PolarHBondContact O-N 3.43Å; F130-I846 HydrophobicContact CE1-CG2 4.37Å; F130-W932 AromaticContact CD2-CE3 3.9Å; F130-W932 HydrophobicContact CD2-CE3 3.9Å; F130-W932 HydrophobicContact CE2-CB 4.16Å; F130-W932 HydrophobicContact CE2-CE3 4.33Å; F130-W932 WeakPolarHBondContact CE2-O 3.39Å; F130-W932 WeakPolarHBondContact CZ-O 3.4Å; F130-P937 HydrophobicContact CE1-CG 3.94Å; F130-P937 HydrophobicContact CZ-CG 4.12Å |
| 131 | I | 59.1 | Low | 70.9 | Confident | 26 Ų | 26 | 29.3 Ų | 29.3 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -26.3 | 174.8 | -162.3 | 61.5 | 0 | 0 | 0 | 112.3 | F28 G129 V133 V134 M135 | F28-I131 HydrophobicContact CB-CB 4.09Å; F28-I131 HydrophobicContact CG-CB 4.41Å; G129-I131 PolarHBondContact O-N 2.92Å; I131-V133 PolarHBondContact O-N 3.2Å; I131-V134 PolarHBondContact O-N 3.4Å; I131-M135 HydrophobicContact CD1-CE 3.8Å; I131-M135 HydrophobicContact CD1-CG 3.78Å; I131-M135 HydrophobicContact CG1-CE 4.35Å; I131-M135 HydrophobicContact CG1-CG 3.62Å; I131-M135 WeakPolarHBondContact O-CB 3.48Å; I131-M135 PolarHBondContact O-N 3.25Å |
| 132 | D | 61.6 | Low | 70.4 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.8 | -12.7 | 174.2 | -66 | -48.6 | 0 | 0 | 0 | 112.3 | K120 P128 G129 F130 N136 | K120-D132 IonicContact NZ-OD1 2.67Å; K120-D132 PolarHBondContact NZ-OD1 2.94Å; K120-D132 IonicContact NZ-OD2 3.33Å; P128-D132 WeakPolarHBondContact CA-OD2 3.42Å; G129-D132 PolarHBondContact N-OD2 3.01Å; G129-D132 VanDerWaalsContact O-CB 3.24Å; G129-D132 WeakPolarHBondContact O-CB 3.3Å; G129-D132 PolarHBondContact O-N 2.76Å; F130-D132 PolarHBondContact O-N 3.19Å; D132-N136 WeakPolarHBondContact O-CB 3.29Å; D132-N136 PolarHBondContact O-ND2 2.96Å |
| 133 | V | 61.8 | Low | 69.7 | Low | 17 Ų | 17 | 35.5 Ų | 35.5 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81.8 | -40.7 | 169.8 | 177.4 | 0 | 0 | 0 | 0 | 110 | P112 V114 P117 F130 I131 L137 I846 | P112-V133 HydrophobicContact CB-CG2 3.79Å; P112-V133 HydrophobicContact CG-CG2 3.48Å; P112-V133 VanDerWaalsContact CG-CG2 3.48Å; V114-V133 HydrophobicContact CG2-CG2 4.32Å; P117-V133 HydrophobicContact CG-CG2 3.81Å; F130-V133 WeakPolarHBondContact O-CB 3.37Å; F130-V133 PolarHBondContact O-N 3.43Å; I131-V133 PolarHBondContact O-N 3.2Å; V133-L137 VanDerWaalsContact O-CD2 3.28Å; V133-L137 WeakPolarHBondContact O-CD2 3.25Å; V133-L137 VanDerWaalsContact O-CG 3.25Å; V133-L137 WeakPolarHBondContact O-CG 3.38Å; V133-I846 HydrophobicContact CG1-CD1 3.95Å |
| 134 | V | 55.6 | Low | 69 | Low | 62 Ų | 62 | 36 Ų | 36 | 38% | 0.376 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -81.9 | -48.1 | -173 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | I131 N136 L940 | I131-V134 PolarHBondContact O-N 3.4Å; V134-N136 PolarHBondContact O-N 3.39Å; V134-N136 VanDerWaalsContact O-N 3.13Å; V134-L940 HydrophobicContact CG2-CD1 4.44Å |
| 135 | M | 52.2 | Low | 68.8 | Low | 126 Ų | 126 | 36 Ų | 36 | 62% | 0.621 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4.8 | -175 | -70.3 | -68.2 | 175.4 | 0 | 0 | 113.9 | I131 | I131-M135 HydrophobicContact CD1-CE 3.8Å; I131-M135 HydrophobicContact CD1-CG 3.78Å; I131-M135 HydrophobicContact CG1-CE 4.35Å; I131-M135 HydrophobicContact CG1-CG 3.62Å; I131-M135 WeakPolarHBondContact O-CB 3.48Å; I131-M135 PolarHBondContact O-N 3.25Å |
| 136 | N | 53.8 | Low | 68.8 | Low | 28 Ų | 28 | 36 Ų | 36 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | 9.8 | -155.4 | -107.3 | -1.1 | 0 | 0 | 0 | 109.7 | M116 D132 V134 N138 S139 P140 | M116-N136 HydrophobicContact CE-CB 3.34Å; M116-N136 WeakPolarHBondContact CE-O 2.97Å; M116-N136 HydrophobicContact SD-CB 4.31Å; D132-N136 WeakPolarHBondContact O-CB 3.29Å; D132-N136 PolarHBondContact O-ND2 2.96Å; V134-N136 PolarHBondContact O-N 3.39Å; V134-N136 VanDerWaalsContact O-N 3.13Å; N136-N138 PolarHBondContact O-N 3.26Å; N136-S139 WeakPolarHBondContact O-CA 3.43Å; N136-S139 PolarHBondContact O-N 3Å; N136-P140 WeakPolarHBondContact OD1-CD 3.25Å; N136-P140 VanDerWaalsContact OD1-CG 3.22Å; N136-P140 WeakPolarHBondContact OD1-CG 3.44Å |
| 137 | L | 54.6 | Low | 69.2 | Low | 67 Ų | 67 | 36 Ų | 36 | 35% | 0.351 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -22.1 | 173.5 | -68.9 | 172 | 0 | 0 | 0 | 113 | V133 Y861 I867 | V133-L137 VanDerWaalsContact O-CD2 3.28Å; V133-L137 WeakPolarHBondContact O-CD2 3.25Å; V133-L137 VanDerWaalsContact O-CG 3.25Å; V133-L137 WeakPolarHBondContact O-CG 3.38Å; L137-Y861 PolarHBondContact O-OH 2.92Å; L137-I867 HydrophobicContact CD1-CD1 4.04Å; L137-I867 HydrophobicContact CD1-CG1 3.86Å |
| 138 | N | 53.1 | Low | 70 | Confident | 71 Ų | 71 | 35 Ų | 35 | 38% | 0.38 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 4.9 | 176.1 | -161.6 | 6.9 | 0 | 0 | 0 | 114.1 | N136 Y861 E863 | N136-N138 PolarHBondContact O-N 3.26Å; N138-Y861 HydrophobicContact CB-CE1 3.94Å; N138-Y861 VanDerWaalsContact OD1-CE1 3.29Å; N138-Y861 WeakPolarHBondContact OD1-CE1 3.49Å; N138-E863 PolarHBondContact ND2-OE2 3.35Å |
| 139 | S | 57.4 | Low | 71 | Confident | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | trans | 42.3 | 56.7 | -177.3 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | N136 R168 | N136-S139 WeakPolarHBondContact O-CA 3.43Å; N136-S139 PolarHBondContact O-N 3Å; S139-R168 WeakPolarHBondContact O-CB 3.38Å | ||
| 140 | P | 66.4 | Low | 72.4 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 42% | 0.422 | 21% | 0.208 | S | C | . | . | trans | -59.8 | 155.1 | 177.8 | 28.6 | -35.2 | 0 | 0 | 0 | 110.9 | N136 L142 | N136-P140 WeakPolarHBondContact OD1-CD 3.25Å; N136-P140 VanDerWaalsContact OD1-CG 3.22Å; N136-P140 WeakPolarHBondContact OD1-CG 3.44Å; P140-L142 PolarHBondContact O-N 2.72Å | ||
| 141 | A | 76.9 | Confident | 73.9 | Confident | 46 Ų | 46 | 38.3 Ų | 38.3 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | trans | -51.4 | 131.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L143 R168 P171 | A141-L143 PolarHBondContact O-N 3.47Å; A141-R168 WeakPolarHBondContact CA-O 3.39Å; A141-P171 HydrophobicContact CB-CG 3.74Å | ||
| 142 | L | 80.7 | Confident | 75.6 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | trans | -75.5 | 107.5 | 179.9 | -172.1 | 67.4 | 0 | 0 | 0 | 109.5 | K120 T124 P140 E144 N146 L169 F170 | K120-L142 HydrophobicContact CD-CD1 3.95Å; K120-L142 HydrophobicContact CG-CD1 4.11Å; K120-L142 HydrophobicContact CG-CD2 4.33Å; T124-L142 HydrophobicContact CG2-CD2 3.83Å; P140-L142 PolarHBondContact O-N 2.72Å; L142-E144 HydrophobicContact CD1-CB 4.3Å; L142-E144 HydrophobicContact CD1-CG 4.49Å; L142-E144 HydrophobicContact CG-CB 4.41Å; L142-N146 HydrophobicContact CD2-CB 4.28Å; L142-L169 HydrophobicContact CB-CB 4.4Å; L142-L169 HydrophobicContact CB-CD2 4.23Å; L142-L169 PolarHBondContact N-O 2.99Å; L142-F170 HydrophobicContact CB-CE1 4.45Å; L142-F170 HydrophobicContact CD2-CE1 3.84Å; L142-F170 HydrophobicContact CD2-CZ 4.16Å | ||
| 143 | L | 79.8 | Confident | 77.1 | Confident | 115 Ų | 115 | 45 Ų | 45 | 60% | 0.602 | 24% | 0.243 | S | C | * | . | trans | -82.2 | -23.2 | -177.9 | -58.9 | -179.7 | 0 | 0 | 0 | 113.4 | K39 A141 | K39-L143 PolarHBondContact NZ-O 3.23Å; A141-L143 PolarHBondContact O-N 3.47Å | ||
| 144 | E | 80.1 | Confident | 78.6 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -64.3 | 153.2 | -179.6 | -63.7 | 173.5 | -151.6 | 0 | 0 | 112 | F36 K120 L142 N146 | F36-E144 HydrophobicContact CD1-CG 3.66Å; F36-E144 HydrophobicContact CE1-CG 3.74Å; K120-E144 WeakPolarHBondContact CE-OE1 3.36Å; K120-E144 WeakPolarHBondContact CE-OE2 3.38Å; K120-E144 IonicContact NZ-OE1 2.62Å; K120-E144 PolarHBondContact NZ-OE1 3.19Å; K120-E144 IonicContact NZ-OE2 3.72Å; L142-E144 HydrophobicContact CD1-CB 4.3Å; L142-E144 HydrophobicContact CD1-CG 4.49Å; L142-E144 HydrophobicContact CG-CB 4.41Å; E144-N146 PolarHBondContact O-ND2 2.73Å |
| 145 | D | 88.4 | Confident | 80.4 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | trans | -62.4 | 134.8 | 174.1 | -165.9 | 16.3 | 0 | 0 | 0 | 111.6 | K39 S40 Q150 Q327 | K39-D145 HydrophobicContact CB-CB 4.3Å; K39-D145 HydrophobicContact CG-CB 4.09Å; S40-D145 WeakPolarHBondContact CB-OD2 3.34Å; S40-D145 PolarHBondContact N-OD2 2.79Å; S40-D145 PolarHBondContact OG-OD2 3.09Å; D145-Q150 PolarHBondContact OD1-NE2 2.99Å; D145-Q150 PolarHBondContact OD2-NE2 2.69Å; D145-Q327 HydrophobicContact CB-CB 4.36Å; D145-Q327 PolarHBondContact OD2-N 3.21Å | ||
| 146 | N | 92.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -157.1 | 163 | -173.1 | 67.2 | 79.1 | 0 | 0 | 0 | 112 | T124 L142 E144 I148 W149 Q150 F170 | T124-N146 HydrophobicContact CG2-CB 3.92Å; L142-N146 HydrophobicContact CD2-CB 4.28Å; E144-N146 PolarHBondContact O-ND2 2.73Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.12Å; N146-I148 WeakPolarHBondContact OD1-CB 3.42Å; N146-I148 PolarHBondContact OD1-N 2.99Å; N146-W149 PolarHBondContact O-N 2.82Å; N146-W149 PolarHBondContact OD1-N 2.96Å; N146-Q150 WeakPolarHBondContact O-CG 3.15Å; N146-Q150 PolarHBondContact O-N 3.29Å; N146-F170 HydrophobicContact CB-CE1 4.4Å; N146-F170 WeakPolarHBondContact OD1-CE1 3.19Å | ||
| 147 | L | 95.7 | Very high | 84.5 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.4 | -40.9 | -177.5 | -178.8 | 66.8 | 0 | 0 | 0 | 113.4 | T123 Q150 A151 L317 A318 L323 | T123-L147 WeakPolarHBondContact O-CB 3.46Å; T123-L147 PolarHBondContact O-N 3.41Å; L147-Q150 PolarHBondContact O-N 3.36Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 2.91Å; L147-L317 HydrophobicContact CD1-CB 4.16Å; L147-L317 HydrophobicContact CD2-CB 3.67Å; L147-L317 HydrophobicContact CD2-CD1 3.71Å; L147-L317 HydrophobicContact CD2-CG 4.35Å; L147-A318 HydrophobicContact CD1-CB 4Å; L147-L323 HydrophobicContact CD1-CD1 3.98Å |
| 148 | I | 96.4 | Very high | 86.6 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -42.8 | -177.7 | -55.1 | -56.9 | 0 | 0 | 0 | 110.4 | T123 N146 A151 K152 I158 W166 F170 H173 F174 | T123-I148 HydrophobicContact CG2-CG1 4.2Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.12Å; N146-I148 WeakPolarHBondContact OD1-CB 3.42Å; N146-I148 PolarHBondContact OD1-N 2.99Å; I148-A151 PolarHBondContact O-N 3.3Å; I148-K152 WeakPolarHBondContact O-CB 3.42Å; I148-K152 PolarHBondContact O-N 3.19Å; I148-I158 HydrophobicContact CG2-CD1 3.99Å; I148-W166 HydrophobicContact CD1-CZ3 4.18Å; I148-W166 HydrophobicContact CG1-CZ3 4.21Å; I148-F170 HydrophobicContact CB-CD1 3.9Å; I148-F170 HydrophobicContact CB-CE1 4.14Å; I148-F170 HydrophobicContact CB-CG 4.2Å; I148-F170 HydrophobicContact CG1-CD1 4.23Å; I148-F170 HydrophobicContact CG1-CD2 4.31Å; I148-F170 HydrophobicContact CG1-CE1 4.13Å; I148-F170 HydrophobicContact CG1-CE2 4.24Å; I148-F170 HydrophobicContact CG1-CG 4.32Å; I148-F170 HydrophobicContact CG1-CZ 4.15Å; I148-F170 HydrophobicContact CG2-CB 4.11Å; I148-F170 HydrophobicContact CG2-CD1 4.14Å; I148-F170 HydrophobicContact CG2-CG 4.04Å; I148-H173 HydrophobicContact CG2-CB 3.69Å; I148-F174 HydrophobicContact CG2-CE1 4.07Å; I148-F174 HydrophobicContact CG2-CZ 4.44Å |
| 149 | W | 94.2 | Very high | 88.7 | Confident | 88 Ų | 88 | 39 Ų | 39 | 33% | 0.333 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 172.8 | -175.3 | -74.9 | 0 | 0 | 0 | 111.6 | K39 N146 K152 T153 H173 | K39-W149 HydrophobicContact CD-CD2 4.12Å; K39-W149 HydrophobicContact CD-CG 4.28Å; K39-W149 HydrophobicContact CD-CZ2 4.06Å; K39-W149 VanDerWaalsContact CE-CE2 3.48Å; N146-W149 PolarHBondContact O-N 2.82Å; N146-W149 PolarHBondContact OD1-N 2.96Å; W149-K152 PolarHBondContact O-N 3.26Å; W149-T153 PolarHBondContact NE1-OG1 3.39Å; W149-T153 WeakPolarHBondContact O-CB 3.48Å; W149-T153 PolarHBondContact O-N 3.43Å; W149-T153 PolarHBondContact O-OG1 3.29Å; W149-H173 AromaticContact CD2-NE2 3.69Å; W149-H173 AromaticContact CE3-CE1 3.62Å; W149-H173 AromaticContact CE3-NE2 3Å; W149-H173 AromaticContact CZ3-CE1 3.87Å; W149-H173 AromaticContact CZ3-NE2 3.57Å |
| 150 | Q | 95 | Very high | 90.7 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 179.9 | -70.3 | -62.8 | -25.3 | 0 | 0 | 111.8 | S40 D145 N146 L147 T153 A154 L323 | S40-Q150 PolarHBondContact O-NE2 2.92Å; S40-Q150 PolarHBondContact O-OE1 2.9Å; D145-Q150 PolarHBondContact OD1-NE2 2.99Å; D145-Q150 PolarHBondContact OD2-NE2 2.69Å; N146-Q150 WeakPolarHBondContact O-CG 3.15Å; N146-Q150 PolarHBondContact O-N 3.29Å; L147-Q150 PolarHBondContact O-N 3.36Å; Q150-T153 PolarHBondContact O-N 3.38Å; Q150-A154 WeakPolarHBondContact O-CB 3.4Å; Q150-A154 PolarHBondContact O-N 3.15Å; Q150-L323 HydrophobicContact CB-CB 4.39Å; Q150-L323 HydrophobicContact CB-CD1 4.46Å |
| 151 | A | 95.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L147 I148 T153 A154 G155 K156 I158 L323 | L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 2.91Å; I148-A151 PolarHBondContact O-N 3.3Å; A151-T153 PolarHBondContact O-N 2.85Å; A151-A154 CarbonylContact O-C 3.6Å; A151-A154 PolarHBondContact O-N 2.73Å; A151-G155 PolarHBondContact O-N 3.47Å; A151-K156 HydrophobicContact CB-CB 4.11Å; A151-K156 HydrophobicContact CB-CG 4.27Å; A151-K156 WeakPolarHBondContact O-CB 3.05Å; A151-K156 WeakPolarHBondContact O-CG 3.45Å; A151-K156 PolarHBondContact O-N 3.07Å; A151-I158 HydrophobicContact CB-CD1 3.72Å; A151-I158 HydrophobicContact CB-CG1 4.38Å; A151-L323 HydrophobicContact CB-CD1 3.81Å |
| 152 | K | 95.1 | Very high | 93 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 38% | 0.383 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.3 | -44 | 177.5 | -179.6 | 58.9 | 170.5 | -168.1 | 0 | 112 | I148 W149 A154 G155 I158 | I148-K152 WeakPolarHBondContact O-CB 3.42Å; I148-K152 PolarHBondContact O-N 3.19Å; W149-K152 PolarHBondContact O-N 3.26Å; K152-A154 VanDerWaalsContact C-N 3.28Å; K152-A154 PolarHBondContact O-N 3.48Å; K152-G155 PolarHBondContact O-N 3.02Å; K152-I158 HydrophobicContact CB-CD1 4.37Å |
| 153 | T | 93.2 | Very high | 93.5 | Very high | 95 Ų | 95 | 32.4 Ų | 32.4 | 58% | 0.583 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -64.2 | -34.9 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | W149 Q150 A151 G155 | W149-T153 PolarHBondContact NE1-OG1 3.39Å; W149-T153 WeakPolarHBondContact O-CB 3.48Å; W149-T153 PolarHBondContact O-N 3.43Å; W149-T153 PolarHBondContact O-OG1 3.29Å; Q150-T153 PolarHBondContact O-N 3.38Å; A151-T153 PolarHBondContact O-N 2.85Å; T153-G155 PolarHBondContact O-N 2.98Å |
| 154 | A | 93 | Very high | 93.9 | Very high | 59 Ų | 59 | 28 Ų | 28 | 49% | 0.488 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 8.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q150 A151 K152 K156 L323 | Q150-A154 WeakPolarHBondContact O-CB 3.4Å; Q150-A154 PolarHBondContact O-N 3.15Å; A151-A154 CarbonylContact O-C 3.6Å; A151-A154 PolarHBondContact O-N 2.73Å; K152-A154 VanDerWaalsContact C-N 3.28Å; K152-A154 PolarHBondContact O-N 3.48Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 HydrophobicContact CB-CG 4.41Å; A154-K156 PolarHBondContact O-N 2.92Å; A154-L323 HydrophobicContact CB-CD2 3.34Å |
| 155 | G | 94.8 | Very high | 94.3 | Very high | 58 Ų | 58 | 28 Ų | 28 | 60% | 0.598 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | 14 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A151 K152 T153 | A151-G155 PolarHBondContact O-N 3.47Å; K152-G155 PolarHBondContact O-N 3.02Å; T153-G155 PolarHBondContact O-N 2.98Å |
| 156 | K | 95.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 28 Ų | 28 | 21% | 0.213 | 16% | 0.156 | C | C | . | . | trans | -70.5 | 144.2 | 175.6 | -55.3 | -66.5 | -174.1 | 173.2 | 0 | 110.4 | A151 A154 D209 | A151-K156 HydrophobicContact CB-CB 4.11Å; A151-K156 HydrophobicContact CB-CG 4.27Å; A151-K156 WeakPolarHBondContact O-CB 3.05Å; A151-K156 WeakPolarHBondContact O-CG 3.45Å; A151-K156 PolarHBondContact O-N 3.07Å; A154-K156 VanDerWaalsContact C-N 3.29Å; A154-K156 HydrophobicContact CB-CG 4.41Å; A154-K156 PolarHBondContact O-N 2.92Å; K156-D209 HydrophobicContact CB-CB 4.29Å; K156-D209 HydrophobicContact CD-CB 4.18Å | ||
| 157 | R | 96.8 | Very high | 94.4 | Very high | 78 Ų | 78 | 29.5 Ų | 29.5 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | trans | -97.1 | 112.6 | -179.1 | -57.5 | 173 | -67.9 | 170.2 | 9.4 | 108.4 | M175 D206 D207 D209 V210 | R157-M175 HydrophobicContact CB-CE 3.62Å; R157-M175 HydrophobicContact CB-SD 4.27Å; R157-M175 HydrophobicContact CG-CE 3.38Å; R157-D206 PolarHBondContact NH2-O 2.8Å; R157-D207 WeakPolarHBondContact CD-O 3.48Å; R157-D207 PolarHBondContact NE-O 3.29Å; R157-D207 VanDerWaalsContact NE-O 3.11Å; R157-D207 PolarHBondContact NH1-O 3.06Å; R157-D209 WeakPolarHBondContact CB-OD2 3.44Å; R157-D209 PolarHBondContact N-OD2 3.39Å; R157-D209 IonicContact NE-OD1 3.39Å; R157-D209 IonicContact NE-OD2 2.75Å; R157-D209 PolarHBondContact NE-OD2 2.8Å; R157-D209 IonicContact NH2-OD1 3.04Å; R157-D209 PolarHBondContact NH2-OD1 3.03Å; R157-D209 PolarHBondContact O-N 2.87Å; R157-V210 PolarHBondContact O-N 3.15Å; R157-V210 VanDerWaalsContact O-N 3.1Å | ||
| 158 | I | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127 | -171.8 | -44.9 | 174.2 | 0 | 0 | 0 | 108.7 | I148 A151 K152 F174 M175 V210 | I148-I158 HydrophobicContact CG2-CD1 3.99Å; A151-I158 HydrophobicContact CB-CD1 3.72Å; A151-I158 HydrophobicContact CB-CG1 4.38Å; K152-I158 HydrophobicContact CB-CD1 4.37Å; I158-F174 HydrophobicContact CB-CD1 4.19Å; I158-F174 HydrophobicContact CG2-CD1 3.67Å; I158-F174 HydrophobicContact CG2-CE1 3.92Å; I158-M175 PolarHBondContact O-N 2.97Å; I158-V210 WeakPolarHBondContact CA-O 3.22Å; I158-V210 HydrophobicContact CG1-CB 4.39Å; I158-V210 HydrophobicContact CG2-CB 4.14Å; I158-V210 HydrophobicContact CG2-CG1 4.22Å |
| 159 | V | 98.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.6 | 174 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | Y161 E176 T202 W208 V210 L211 V212 | V159-Y161 HydrophobicContact CG1-CD2 4.26Å; V159-Y161 HydrophobicContact CG1-CE1 4.17Å; V159-Y161 HydrophobicContact CG1-CE2 3.46Å; V159-Y161 VanDerWaalsContact CG1-CE2 3.46Å; V159-Y161 WeakPolarHBondContact CG1-OH 3.41Å; V159-E176 WeakPolarHBondContact CA-O 3.38Å; V159-E176 HydrophobicContact CG1-CB 4.33Å; V159-E176 HydrophobicContact CG2-CB 4.35Å; V159-T202 HydrophobicContact CG1-CG2 4.02Å; V159-W208 HydrophobicContact CG2-CB 3.84Å; V159-W208 HydrophobicContact CG2-CG 4.5Å; V159-V210 PolarHBondContact N-O 2.9Å; V159-L211 HydrophobicContact CB-CD1 3.92Å; V159-L211 HydrophobicContact CG1-CD1 3.8Å; V159-L211 WeakPolarHBondContact O-CA 3.46Å; V159-V212 PolarHBondContact O-N 2.99Å |
| 160 | F | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.4 | -178.5 | 170.1 | -100.6 | 0 | 0 | 0 | 112.9 | G162 D163 W166 V167 F174 E176 Y177 D178 V212 H214 | F160-G162 VanDerWaalsContact CZ-C 3.43Å; F160-D163 WeakPolarHBondContact CZ-O 3.46Å; F160-W166 HydrophobicContact CD1-CB 4.23Å; F160-W166 HydrophobicContact CD2-CB 4.08Å; F160-W166 HydrophobicContact CD2-CD2 4.32Å; F160-W166 HydrophobicContact CD2-CG 4.09Å; F160-W166 HydrophobicContact CE1-CB 3.71Å; F160-W166 HydrophobicContact CE1-CG 4.39Å; F160-W166 HydrophobicContact CE2-CB 3.54Å; F160-W166 AromaticContact CE2-CD1 3.52Å; F160-W166 AromaticContact CE2-CD2 3.86Å; F160-W166 HydrophobicContact CE2-CD2 3.86Å; F160-W166 AromaticContact CE2-CG 3.35Å; F160-W166 HydrophobicContact CE2-CG 3.35Å; F160-W166 HydrophobicContact CG-CB 4.42Å; F160-W166 HydrophobicContact CZ-CB 3.34Å; F160-W166 AromaticContact CZ-CD1 3.6Å; F160-W166 HydrophobicContact CZ-CD2 4.49Å; F160-W166 AromaticContact CZ-CG 3.54Å; F160-W166 HydrophobicContact CZ-CG 3.54Å; F160-V167 HydrophobicContact CD1-CG2 3.94Å; F160-V167 HydrophobicContact CE1-CG2 3.81Å; F160-F174 HydrophobicContact CB-CB 4.44Å; F160-F174 HydrophobicContact CB-CD1 3.52Å; F160-F174 HydrophobicContact CB-CD2 3.96Å; F160-F174 HydrophobicContact CB-CE1 3.63Å; F160-F174 HydrophobicContact CB-CE2 4.06Å; F160-F174 HydrophobicContact CB-CG 3.7Å; F160-F174 HydrophobicContact CB-CZ 3.9Å; F160-F174 HydrophobicContact CD1-CD2 4.38Å; F160-F174 HydrophobicContact CD1-CE2 4.17Å; F160-F174 HydrophobicContact CD2-CZ 4.41Å; F160-F174 HydrophobicContact CG-CD1 4.47Å; F160-F174 HydrophobicContact CG-CD2 4.36Å; F160-F174 HydrophobicContact CG-CE1 4.2Å; F160-F174 HydrophobicContact CG-CE2 4.08Å; F160-F174 AromaticContact CG-CZ 4Å; F160-F174 HydrophobicContact CG-CZ 4Å; F160-E176 PolarHBondContact N-O 3.14Å; F160-Y177 CarbonylContact O-C 3.25Å; F160-Y177 WeakPolarHBondContact O-CA 3.4Å; F160-Y177 WeakPolarHBondContact O-CB 3.5Å; F160-D178 PolarHBondContact O-N 2.92Å; F160-V212 WeakPolarHBondContact CA-O 3.37Å; F160-V212 HydrophobicContact CD2-CB 3.88Å; F160-V212 HydrophobicContact CD2-CG1 3.75Å; F160-V212 HydrophobicContact CE2-CG1 4.12Å; F160-H214 HydrophobicContact CE2-CB 4.27Å |
| 161 | Y | 97.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130.6 | 166.9 | -47.5 | -67 | 0 | 0 | 0 | 109.7 | V159 E176 D178 H198 T202 L211 V212 L213 H214 | V159-Y161 HydrophobicContact CG1-CD2 4.26Å; V159-Y161 HydrophobicContact CG1-CE1 4.17Å; V159-Y161 HydrophobicContact CG1-CE2 3.46Å; V159-Y161 VanDerWaalsContact CG1-CE2 3.46Å; V159-Y161 WeakPolarHBondContact CG1-OH 3.41Å; Y161-E176 HydrophobicContact CE1-CG 4.39Å; Y161-E176 PolarHBondContact OH-OE1 3.36Å; Y161-D178 WeakPolarHBondContact CA-O 3.45Å; Y161-D178 HydrophobicContact CD1-CB 3.72Å; Y161-D178 HydrophobicContact CE1-CB 4.33Å; Y161-H198 HydrophobicContact CD1-CB 4.07Å; Y161-H198 AromaticContact CD1-CD2 3.55Å; Y161-H198 AromaticContact CD1-CG 3.93Å; Y161-H198 HydrophobicContact CD2-CB 3.95Å; Y161-H198 HydrophobicContact CE1-CB 3.74Å; Y161-H198 AromaticContact CE1-CD2 3.77Å; Y161-H198 AromaticContact CE1-CG 3.7Å; Y161-H198 HydrophobicContact CE2-CB 3.61Å; Y161-H198 HydrophobicContact CG-CB 4.17Å; Y161-H198 VanDerWaalsContact CZ-CB 3.49Å; Y161-H198 AromaticContact CZ-CG 3.99Å; Y161-T202 HydrophobicContact CE2-CG2 4.23Å; Y161-T202 PolarHBondContact OH-OG1 3.3Å; Y161-L211 HydrophobicContact CD2-CD1 4.2Å; Y161-L211 HydrophobicContact CE2-CD1 4.11Å; Y161-V212 PolarHBondContact N-O 3.37Å; Y161-L213 HydrophobicContact CD2-CD2 3.8Å; Y161-L213 CarbonylContact O-C 3.55Å; Y161-L213 VanDerWaalsContact O-CA 3.26Å; Y161-L213 WeakPolarHBondContact O-CA 3.36Å; Y161-H214 PolarHBondContact O-N 3.25Å |
| 162 | G | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | -157.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F160 D164 D178 G179 T180 H214 | F160-G162 VanDerWaalsContact CZ-C 3.43Å; G162-D164 PolarHBondContact O-N 3.18Å; G162-D178 PolarHBondContact N-O 2.99Å; G162-G179 CarbonylContact O-C 3.57Å; G162-G179 WeakPolarHBondContact O-CA 3.49Å; G162-T180 PolarHBondContact O-N 2.86Å; G162-T180 PolarHBondContact O-OG1 3.4Å; G162-T180 VanDerWaalsContact O-OG1 3.12Å; G162-H214 WeakPolarHBondContact CA-O 3.47Å |
| 163 | D | 91.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.8 | 126.4 | 179.6 | -170.9 | -24 | 0 | 0 | 0 | 113.5 | F160 T165 W166 T180 H214 L216 | F160-D163 WeakPolarHBondContact CZ-O 3.46Å; D163-T165 PolarHBondContact O-N 2.95Å; D163-T165 VanDerWaalsContact OD1-CB 3.22Å; D163-T165 WeakPolarHBondContact OD1-CB 3.5Å; D163-T165 PolarHBondContact OD1-N 2.85Å; D163-T165 PolarHBondContact OD1-OG1 3Å; D163-T165 PolarHBondContact OD2-OG1 3.47Å; D163-W166 PolarHBondContact O-N 2.92Å; D163-W166 VanDerWaalsContact O-N 3.09Å; D163-T180 WeakPolarHBondContact CA-O 3.31Å; D163-T180 PolarHBondContact N-OG1 3.39Å; D163-H214 WeakPolarHBondContact CB-ND1 3.45Å; D163-H214 IonicContact OD2-CE1 3.14Å; D163-L216 HydrophobicContact CB-CD1 4.02Å; D163-L216 HydrophobicContact CB-CD2 4.09Å; D163-L216 HydrophobicContact CB-CG 4.29Å |
| 164 | D | 88.6 | Confident | 93.3 | Very high | 23 Ų | 23 | 32 Ų | 32 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -16.7 | 179.1 | 81.4 | -21.3 | 0 | 0 | 0 | 114 | G162 W166 V167 R168 T180 | G162-D164 PolarHBondContact O-N 3.18Å; D164-W166 PolarHBondContact O-N 2.84Å; D164-V167 WeakPolarHBondContact O-CB 3.41Å; D164-V167 PolarHBondContact O-N 3.19Å; D164-R168 WeakPolarHBondContact O-CG 3.32Å; D164-R168 PolarHBondContact O-N 3.13Å; D164-R168 IonicContact OD1-CZ 3.54Å; D164-R168 IonicContact OD1-NE 2.78Å; D164-R168 IonicContact OD1-NH2 3.45Å; D164-R168 IonicContact OD2-CZ 3.46Å; D164-R168 IonicContact OD2-NE 3.74Å; D164-R168 PolarHBondContact OD2-NE 3.12Å; D164-R168 IonicContact OD2-NH2 2.67Å; D164-R168 PolarHBondContact OD2-NH2 3.41Å; D164-T180 PolarHBondContact N-O 3.16Å |
| 165 | T | 87.3 | Confident | 93.4 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 8% | 0.08 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -50.7 | -40.7 | 169.3 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | M116 I119 D163 V167 R168 L169 | M116-T165 HydrophobicContact CB-CG2 3.85Å; M116-T165 HydrophobicContact CG-CG2 3.72Å; I119-T165 HydrophobicContact CD1-CG2 3.83Å; D163-T165 PolarHBondContact O-N 2.95Å; D163-T165 VanDerWaalsContact OD1-CB 3.22Å; D163-T165 WeakPolarHBondContact OD1-CB 3.5Å; D163-T165 PolarHBondContact OD1-N 2.85Å; D163-T165 PolarHBondContact OD1-OG1 3Å; D163-T165 PolarHBondContact OD2-OG1 3.47Å; T165-V167 PolarHBondContact O-N 2.89Å; T165-R168 PolarHBondContact O-N 3.18Å; T165-L169 HydrophobicContact CG2-CD1 3.88Å; T165-L169 HydrophobicContact CG2-CG 4.31Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 VanDerWaalsContact O-CG 3.28Å; T165-L169 WeakPolarHBondContact O-CG 3.25Å; T165-L169 PolarHBondContact O-N 3.38Å |
| 166 | W | 92.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 175.7 | -76.1 | 84.2 | 0 | 0 | 0 | 112.4 | L70 V72 I119 T123 I148 F160 D163 D164 R168 L169 F170 F174 V212 H214 | L70-W166 HydrophobicContact CD2-CH2 4.28Å; V72-W166 HydrophobicContact CG2-CZ2 4.44Å; I119-W166 HydrophobicContact CG1-CZ2 4.2Å; I119-W166 HydrophobicContact CG2-CD2 3.93Å; I119-W166 HydrophobicContact CG2-CE3 4.24Å; I119-W166 HydrophobicContact CG2-CG 4.49Å; I119-W166 HydrophobicContact CG2-CH2 4.11Å; I119-W166 HydrophobicContact CG2-CZ2 3.79Å; I119-W166 HydrophobicContact CG2-CZ3 4.32Å; T123-W166 HydrophobicContact CG2-CH2 3.66Å; T123-W166 HydrophobicContact CG2-CZ3 3.63Å; I148-W166 HydrophobicContact CD1-CZ3 4.18Å; I148-W166 HydrophobicContact CG1-CZ3 4.21Å; F160-W166 HydrophobicContact CD1-CB 4.23Å; F160-W166 HydrophobicContact CD2-CB 4.08Å; F160-W166 HydrophobicContact CD2-CD2 4.32Å; F160-W166 HydrophobicContact CD2-CG 4.09Å; F160-W166 HydrophobicContact CE1-CB 3.71Å; F160-W166 HydrophobicContact CE1-CG 4.39Å; F160-W166 HydrophobicContact CE2-CB 3.54Å; F160-W166 AromaticContact CE2-CD1 3.52Å; F160-W166 AromaticContact CE2-CD2 3.86Å; F160-W166 HydrophobicContact CE2-CD2 3.86Å; F160-W166 AromaticContact CE2-CG 3.35Å; F160-W166 HydrophobicContact CE2-CG 3.35Å; F160-W166 HydrophobicContact CG-CB 4.42Å; F160-W166 HydrophobicContact CZ-CB 3.34Å; F160-W166 AromaticContact CZ-CD1 3.6Å; F160-W166 HydrophobicContact CZ-CD2 4.49Å; F160-W166 AromaticContact CZ-CG 3.54Å; F160-W166 HydrophobicContact CZ-CG 3.54Å; D163-W166 PolarHBondContact O-N 2.92Å; D163-W166 VanDerWaalsContact O-N 3.09Å; D164-W166 PolarHBondContact O-N 2.84Å; W166-R168 VanDerWaalsContact C-N 3.3Å; W166-R168 PolarHBondContact O-N 3.13Å; W166-L169 PolarHBondContact O-N 3.39Å; W166-F170 HydrophobicContact CD2-CE2 4.26Å; W166-F170 AromaticContact CE3-CD2 3.7Å; W166-F170 HydrophobicContact CE3-CD2 3.7Å; W166-F170 AromaticContact CE3-CE2 3.44Å; W166-F170 HydrophobicContact CE3-CE2 3.44Å; W166-F170 VanDerWaalsContact CE3-CE2 3.44Å; W166-F170 HydrophobicContact CZ3-CD2 4.34Å; W166-F170 AromaticContact CZ3-CE2 3.78Å; W166-F170 HydrophobicContact CZ3-CE2 3.78Å; W166-F170 WeakPolarHBondContact O-CB 3.35Å; W166-F170 VanDerWaalsContact O-CD2 3.25Å; W166-F170 WeakPolarHBondContact O-CD2 3.46Å; W166-F170 PolarHBondContact O-N 3.2Å; W166-F174 HydrophobicContact CB-CE2 4.47Å; W166-F174 HydrophobicContact CB-CZ 4.4Å; W166-F174 HydrophobicContact CE3-CZ 4.3Å; W166-V212 HydrophobicContact CD2-CG1 4.44Å; W166-V212 HydrophobicContact CE3-CG1 4.31Å; W166-V212 HydrophobicContact CH2-CG1 4Å; W166-V212 HydrophobicContact CZ2-CG1 4.11Å; W166-V212 HydrophobicContact CZ3-CG1 4.1Å; W166-H214 AromaticContact CD1-ND1 3.7Å; W166-H214 AromaticContact NE1-CG 3.69Å; W166-H214 AromaticContact NE1-ND1 3.34Å; W166-H214 PolarHBondContact NE1-ND1 3.43Å |
| 167 | V | 91.3 | Very high | 93.4 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 180 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | F160 D164 T165 Y177 | F160-V167 HydrophobicContact CD1-CG2 3.94Å; F160-V167 HydrophobicContact CE1-CG2 3.81Å; D164-V167 WeakPolarHBondContact O-CB 3.41Å; D164-V167 PolarHBondContact O-N 3.19Å; T165-V167 PolarHBondContact O-N 2.89Å; V167-Y177 HydrophobicContact CG1-CD2 3.94Å; V167-Y177 HydrophobicContact CG1-CE2 3.59Å; V167-Y177 HydrophobicContact CG2-CD2 3.71Å; V167-Y177 HydrophobicContact CG2-CE2 4.21Å; V167-Y177 HydrophobicContact CG2-CG 4.49Å |
| 168 | R | 86.4 | Confident | 93.3 | Very high | 69 Ų | 69 | 35.6 Ų | 35.6 | 26% | 0.26 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -71.5 | -41 | 177.7 | -61.8 | 176.9 | -168.5 | -169.4 | 3.6 | 112.4 | S139 A141 D164 T165 W166 P171 F183 | S139-R168 WeakPolarHBondContact O-CB 3.38Å; A141-R168 WeakPolarHBondContact CA-O 3.39Å; D164-R168 WeakPolarHBondContact O-CG 3.32Å; D164-R168 PolarHBondContact O-N 3.13Å; D164-R168 IonicContact OD1-CZ 3.54Å; D164-R168 IonicContact OD1-NE 2.78Å; D164-R168 IonicContact OD1-NH2 3.45Å; D164-R168 IonicContact OD2-CZ 3.46Å; D164-R168 IonicContact OD2-NE 3.74Å; D164-R168 PolarHBondContact OD2-NE 3.12Å; D164-R168 IonicContact OD2-NH2 2.67Å; D164-R168 PolarHBondContact OD2-NH2 3.41Å; T165-R168 PolarHBondContact O-N 3.18Å; W166-R168 VanDerWaalsContact C-N 3.3Å; W166-R168 PolarHBondContact O-N 3.13Å; R168-P171 WeakPolarHBondContact O-CD 3.46Å; R168-F183 VanDerWaalsContact NH2-CZ 3.28Å |
| 169 | L | 87.9 | Confident | 92.8 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | 177.1 | -70.9 | 172.9 | 0 | 0 | 0 | 112.5 | M116 I119 L142 T165 W166 P171 | M116-L169 HydrophobicContact CG-CD1 4.02Å; M116-L169 HydrophobicContact CG-CD2 4.25Å; M116-L169 HydrophobicContact CG-CG 4.49Å; M116-L169 HydrophobicContact SD-CD2 4.34Å; I119-L169 HydrophobicContact CB-CD1 4.24Å; I119-L169 HydrophobicContact CG2-CD1 3.7Å; L142-L169 HydrophobicContact CB-CB 4.4Å; L142-L169 HydrophobicContact CB-CD2 4.23Å; L142-L169 PolarHBondContact N-O 2.99Å; T165-L169 HydrophobicContact CG2-CD1 3.88Å; T165-L169 HydrophobicContact CG2-CG 4.31Å; T165-L169 WeakPolarHBondContact O-CB 3.35Å; T165-L169 VanDerWaalsContact O-CG 3.28Å; T165-L169 WeakPolarHBondContact O-CG 3.25Å; T165-L169 PolarHBondContact O-N 3.38Å; W166-L169 PolarHBondContact O-N 3.39Å; L169-P171 VanDerWaalsContact O-CD 3.25Å; L169-P171 WeakPolarHBondContact O-CD 3.22Å |
| 170 | F | 92.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -120.1 | 56.1 | -174 | -50.7 | -69.7 | 0 | 0 | 0 | 113.1 | I119 T123 L142 N146 I148 W166 K172 H173 F174 | I119-F170 HydrophobicContact CG2-CE2 4.15Å; T123-F170 HydrophobicContact CG2-CE2 4.26Å; T123-F170 HydrophobicContact CG2-CZ 3.84Å; L142-F170 HydrophobicContact CB-CE1 4.45Å; L142-F170 HydrophobicContact CD2-CE1 3.84Å; L142-F170 HydrophobicContact CD2-CZ 4.16Å; N146-F170 HydrophobicContact CB-CE1 4.4Å; N146-F170 WeakPolarHBondContact OD1-CE1 3.19Å; I148-F170 HydrophobicContact CB-CD1 3.9Å; I148-F170 HydrophobicContact CB-CE1 4.14Å; I148-F170 HydrophobicContact CB-CG 4.2Å; I148-F170 HydrophobicContact CG1-CD1 4.23Å; I148-F170 HydrophobicContact CG1-CD2 4.31Å; I148-F170 HydrophobicContact CG1-CE1 4.13Å; I148-F170 HydrophobicContact CG1-CE2 4.24Å; I148-F170 HydrophobicContact CG1-CG 4.32Å; I148-F170 HydrophobicContact CG1-CZ 4.15Å; I148-F170 HydrophobicContact CG2-CB 4.11Å; I148-F170 HydrophobicContact CG2-CD1 4.14Å; I148-F170 HydrophobicContact CG2-CG 4.04Å; W166-F170 HydrophobicContact CD2-CE2 4.26Å; W166-F170 AromaticContact CE3-CD2 3.7Å; W166-F170 HydrophobicContact CE3-CD2 3.7Å; W166-F170 AromaticContact CE3-CE2 3.44Å; W166-F170 HydrophobicContact CE3-CE2 3.44Å; W166-F170 VanDerWaalsContact CE3-CE2 3.44Å; W166-F170 HydrophobicContact CZ3-CD2 4.34Å; W166-F170 AromaticContact CZ3-CE2 3.78Å; W166-F170 HydrophobicContact CZ3-CE2 3.78Å; W166-F170 WeakPolarHBondContact O-CB 3.35Å; W166-F170 VanDerWaalsContact O-CD2 3.25Å; W166-F170 WeakPolarHBondContact O-CD2 3.46Å; W166-F170 PolarHBondContact O-N 3.2Å; F170-K172 PolarHBondContact O-N 2.65Å; F170-H173 VanDerWaalsContact C-ND1 3.27Å; F170-H173 HydrophobicContact CB-CB 4.1Å; F170-H173 WeakPolarHBondContact O-CB 3.28Å; F170-H173 PolarHBondContact O-N 3.35Å; F170-H173 PolarHBondContact O-ND1 3.05Å; F170-H173 VanDerWaalsContact O-ND1 3.15Å; F170-F174 HydrophobicContact CB-CE2 3.99Å; F170-F174 HydrophobicContact CB-CZ 3.96Å; F170-F174 HydrophobicContact CD2-CZ 4.09Å; F170-F174 HydrophobicContact CG-CZ 4.4Å |
| 171 | P | 90.7 | Very high | 91 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 135.6 | -175.6 | 28 | -35 | 0 | 0 | 0 | 110.5 | A141 R168 L169 H173 | A141-P171 HydrophobicContact CB-CG 3.74Å; R168-P171 WeakPolarHBondContact O-CD 3.46Å; L169-P171 VanDerWaalsContact O-CD 3.25Å; L169-P171 WeakPolarHBondContact O-CD 3.22Å; P171-H173 PolarHBondContact O-CE1 2.84Å; P171-H173 PolarHBondContact O-N 3.4Å; P171-H173 PolarHBondContact O-ND1 3.34Å |
| 172 | K | 91.5 | Very high | 89.5 | Confident | 194 Ų | 194 | 41 Ų | 41 | 84% | 0.843 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 10.3 | 178.8 | -49 | 177.9 | -179.1 | 178.3 | 0 | 116.4 | F170 | F170-K172 PolarHBondContact O-N 2.65Š|
| 173 | H | 94.8 | Very high | 87.9 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -35.4 | 178 | -68.8 | 78.3 | 0 | 0 | 0 | 112.9 | I148 W149 F170 P171 | I148-H173 HydrophobicContact CG2-CB 3.69Å; W149-H173 AromaticContact CD2-NE2 3.69Å; W149-H173 AromaticContact CE3-CE1 3.62Å; W149-H173 AromaticContact CE3-NE2 3Å; W149-H173 AromaticContact CZ3-CE1 3.87Å; W149-H173 AromaticContact CZ3-NE2 3.57Å; F170-H173 VanDerWaalsContact C-ND1 3.27Å; F170-H173 HydrophobicContact CB-CB 4.1Å; F170-H173 WeakPolarHBondContact O-CB 3.28Å; F170-H173 PolarHBondContact O-N 3.35Å; F170-H173 PolarHBondContact O-ND1 3.05Å; F170-H173 VanDerWaalsContact O-ND1 3.15Å; P171-H173 PolarHBondContact O-CE1 2.84Å; P171-H173 PolarHBondContact O-N 3.4Å; P171-H173 PolarHBondContact O-ND1 3.34Å |
| 174 | F | 96.4 | Very high | 86.5 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.057 | 22% | 0.219 | C | C | . | . | trans | -78.2 | 136 | -179.6 | -51.4 | -58.8 | 0 | 0 | 0 | 111.3 | I148 I158 F160 W166 F170 Y177 | I148-F174 HydrophobicContact CG2-CE1 4.07Å; I148-F174 HydrophobicContact CG2-CZ 4.44Å; I158-F174 HydrophobicContact CB-CD1 4.19Å; I158-F174 HydrophobicContact CG2-CD1 3.67Å; I158-F174 HydrophobicContact CG2-CE1 3.92Å; F160-F174 HydrophobicContact CB-CB 4.44Å; F160-F174 HydrophobicContact CB-CD1 3.52Å; F160-F174 HydrophobicContact CB-CD2 3.96Å; F160-F174 HydrophobicContact CB-CE1 3.63Å; F160-F174 HydrophobicContact CB-CE2 4.06Å; F160-F174 HydrophobicContact CB-CG 3.7Å; F160-F174 HydrophobicContact CB-CZ 3.9Å; F160-F174 HydrophobicContact CD1-CD2 4.38Å; F160-F174 HydrophobicContact CD1-CE2 4.17Å; F160-F174 HydrophobicContact CD2-CZ 4.41Å; F160-F174 HydrophobicContact CG-CD1 4.47Å; F160-F174 HydrophobicContact CG-CD2 4.36Å; F160-F174 HydrophobicContact CG-CE1 4.2Å; F160-F174 HydrophobicContact CG-CE2 4.08Å; F160-F174 AromaticContact CG-CZ 4Å; F160-F174 HydrophobicContact CG-CZ 4Å; W166-F174 HydrophobicContact CB-CE2 4.47Å; W166-F174 HydrophobicContact CB-CZ 4.4Å; W166-F174 HydrophobicContact CE3-CZ 4.3Å; F170-F174 HydrophobicContact CB-CE2 3.99Å; F170-F174 HydrophobicContact CB-CZ 3.96Å; F170-F174 HydrophobicContact CD2-CZ 4.09Å; F170-F174 HydrophobicContact CG-CZ 4.4Å; F174-Y177 HydrophobicContact CB-CD1 3.82Å; F174-Y177 HydrophobicContact CB-CG 4.19Å; F174-Y177 HydrophobicContact CD2-CG 4.37Å | ||
| 175 | M | 95.6 | Very high | 85.1 | Confident | 96 Ų | 96 | 43.9 Ų | 43.9 | 47% | 0.473 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -71.2 | -39.1 | 171.3 | 172.2 | -178.6 | -69.4 | 0 | 0 | 110.8 | R157 I158 | R157-M175 HydrophobicContact CB-CE 3.62Å; R157-M175 HydrophobicContact CB-SD 4.27Å; R157-M175 HydrophobicContact CG-CE 3.38Å; I158-M175 PolarHBondContact O-N 2.97Å |
| 176 | E | 95.6 | Very high | 83.8 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 133.7 | 179.1 | -178 | 177.4 | 148.7 | 0 | 0 | 107.3 | V159 F160 Y161 R205 | V159-E176 WeakPolarHBondContact CA-O 3.38Å; V159-E176 HydrophobicContact CG1-CB 4.33Å; V159-E176 HydrophobicContact CG2-CB 4.35Å; F160-E176 PolarHBondContact N-O 3.14Å; Y161-E176 HydrophobicContact CE1-CG 4.39Å; Y161-E176 PolarHBondContact OH-OE1 3.36Å; E176-R205 IonicContact OE1-NH1 3.51Å; E176-R205 PolarHBondContact OE1-NH1 3.28Å; E176-R205 IonicContact OE2-CZ 2.79Å; E176-R205 VanDerWaalsContact OE2-CZ 3.31Å; E176-R205 IonicContact OE2-NH1 3.42Å; E176-R205 PolarHBondContact OE2-NH1 3.5Å; E176-R205 IonicContact OE2-NH2 2.72Å; E176-R205 PolarHBondContact OE2-NH2 3.34Å |
| 177 | Y | 95.9 | Very high | 83 | Confident | 129 Ų | 129 | 47.4 Ų | 47.4 | 51% | 0.506 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 154.5 | 177.9 | 64.7 | -85.2 | 0 | 0 | 0 | 113.6 | F160 V167 F174 | F160-Y177 CarbonylContact O-C 3.25Å; F160-Y177 WeakPolarHBondContact O-CA 3.4Å; F160-Y177 WeakPolarHBondContact O-CB 3.5Å; V167-Y177 HydrophobicContact CG1-CD2 3.94Å; V167-Y177 HydrophobicContact CG1-CE2 3.59Å; V167-Y177 HydrophobicContact CG2-CD2 3.71Å; V167-Y177 HydrophobicContact CG2-CE2 4.21Å; V167-Y177 HydrophobicContact CG2-CG 4.49Å; F174-Y177 HydrophobicContact CB-CD1 3.82Å; F174-Y177 HydrophobicContact CB-CG 4.19Å; F174-Y177 HydrophobicContact CD2-CG 4.37Å |
| 178 | D | 93.3 | Very high | 82.6 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 120.7 | 168.1 | -161.1 | -11.3 | 0 | 0 | 0 | 110.2 | F160 Y161 G162 R197 H198 | F160-D178 PolarHBondContact O-N 2.92Å; Y161-D178 WeakPolarHBondContact CA-O 3.45Å; Y161-D178 HydrophobicContact CD1-CB 3.72Å; Y161-D178 HydrophobicContact CE1-CB 4.33Å; G162-D178 PolarHBondContact N-O 2.99Å; D178-R197 IonicContact OD1-NH2 3.94Å; D178-R197 IonicContact OD2-CZ 3.38Å; D178-R197 IonicContact OD2-NE 2.67Å; D178-R197 IonicContact OD2-NH1 4Å; D178-R197 PolarHBondContact OD2-NH1 3.41Å; D178-R197 VanDerWaalsContact OD2-NH1 3.13Å; D178-R197 IonicContact OD2-NH2 3.32Å; D178-R197 PolarHBondContact OD2-NH2 2.88Å; D178-H198 IonicContact OD2-CD2 3.45Å; D178-H198 IonicContact OD2-CE1 3.48Å; D178-H198 IonicContact OD2-NE2 3.44Å; D178-H198 PolarHBondContact OD2-NE2 3.28Å |
| 179 | G | 87.8 | Confident | 82.5 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 133 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G162 | G162-G179 CarbonylContact O-C 3.57Å; G162-G179 WeakPolarHBondContact O-CA 3.49Å |
| 180 | T | 84.4 | Confident | 82.3 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.2 | 174.1 | 66.5 | 0 | 0 | 0 | 0 | 109.1 | G162 D163 D164 S182 N194 V195 | G162-T180 PolarHBondContact O-N 2.86Å; G162-T180 PolarHBondContact O-OG1 3.4Å; G162-T180 VanDerWaalsContact O-OG1 3.12Å; D163-T180 WeakPolarHBondContact CA-O 3.31Å; D163-T180 PolarHBondContact N-OG1 3.39Å; D164-T180 PolarHBondContact N-O 3.16Å; T180-S182 PolarHBondContact O-N 3.29Å; T180-N194 HydrophobicContact CG2-CB 3.44Å; T180-N194 VanDerWaalsContact CG2-CB 3.44Å; T180-V195 HydrophobicContact CG2-CG2 4.07Å |
| 181 | T | 74.6 | Confident | 82.1 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | trans | -86.2 | 115.3 | -174.8 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | F183 F184 | T181-F183 HydrophobicContact CG2-CB 3.77Å; T181-F183 HydrophobicContact CG2-CD2 2.96Å; T181-F183 HydrophobicContact CG2-CE2 3.51Å; T181-F183 HydrophobicContact CG2-CG 3.57Å; T181-F183 PolarHBondContact O-N 3Å; T181-F184 HydrophobicContact CG2-CD2 4.32Å; T181-F184 HydrophobicContact CG2-CE2 4.16Å | ||
| 182 | S | 66.8 | Low | 82.2 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -3.3 | 176.2 | 51 | 0 | 0 | 0 | 0 | 114.2 | T180 F184 H220 | T180-S182 PolarHBondContact O-N 3.29Å; S182-F184 PolarHBondContact O-N 2.99Å; S182-H220 PolarHBondContact O-NE2 3.07Å |
| 183 | F | 60 | Low | 82.3 | Confident | 30 Ų | 30 | 47 Ų | 47 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.3 | -174.3 | -55.3 | -41.4 | 0 | 0 | 0 | 115.2 | R168 T181 F855 Y861 | R168-F183 VanDerWaalsContact NH2-CZ 3.28Å; T181-F183 HydrophobicContact CG2-CB 3.77Å; T181-F183 HydrophobicContact CG2-CD2 2.96Å; T181-F183 HydrophobicContact CG2-CE2 3.51Å; T181-F183 HydrophobicContact CG2-CG 3.57Å; T181-F183 PolarHBondContact O-N 3Å; F183-F855 HydrophobicContact CB-CD1 3.97Å; F183-F855 HydrophobicContact CB-CE1 4.11Å; F183-F855 HydrophobicContact CB-CG 4.28Å; F183-F855 AromaticContact CD1-CD1 3.91Å; F183-F855 HydrophobicContact CD1-CD1 3.91Å; F183-F855 AromaticContact CD1-CE1 3.16Å; F183-F855 HydrophobicContact CD1-CE1 3.16Å; F183-F855 HydrophobicContact CD1-CE2 4.03Å; F183-F855 AromaticContact CD1-CZ 3.25Å; F183-F855 HydrophobicContact CD1-CZ 3.25Å; F183-F855 HydrophobicContact CD2-CD1 4.46Å; F183-F855 HydrophobicContact CD2-CE1 4.14Å; F183-F855 AromaticContact CE1-CE1 3.59Å; F183-F855 HydrophobicContact CE1-CE1 3.59Å; F183-F855 AromaticContact CE1-CZ 3.63Å; F183-F855 HydrophobicContact CE1-CZ 3.63Å; F183-F855 AromaticContact CG-CD1 3.85Å; F183-F855 HydrophobicContact CG-CD1 3.85Å; F183-F855 AromaticContact CG-CE1 3.53Å; F183-F855 HydrophobicContact CG-CE1 3.53Å; F183-F855 HydrophobicContact CG-CZ 4.05Å; F183-F855 HydrophobicContact CZ-CE1 4.32Å; F183-Y861 HydrophobicContact CE1-CD2 4.39Å; F183-Y861 HydrophobicContact CZ-CG 4.33Å |
| 184 | F | 63.1 | Low | 82.1 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 11% | 0.114 | 25% | 0.252 | C | S | . | . | trans | -110.4 | 80.5 | -175 | -57.5 | -73.5 | 0 | 0 | 0 | 110.5 | T181 S182 S186 D187 H220 K737 | T181-F184 HydrophobicContact CG2-CD2 4.32Å; T181-F184 HydrophobicContact CG2-CE2 4.16Å; S182-F184 PolarHBondContact O-N 2.99Å; F184-S186 PolarHBondContact O-N 3.36Å; F184-S186 VanDerWaalsContact O-N 3.07Å; F184-D187 HydrophobicContact CB-CB 4.35Å; F184-D187 WeakPolarHBondContact O-CB 3.48Å; F184-D187 PolarHBondContact O-N 3.22Å; F184-H220 PolarHBondContact O-CE1 3.03Å; F184-H220 PolarHBondContact O-ND1 3.17Å; F184-K737 HydrophobicContact CD1-CB 4.3Å; F184-K737 HydrophobicContact CD1-CD 3.97Å; F184-K737 HydrophobicContact CD1-CG 3.86Å; F184-K737 HydrophobicContact CD2-CD 4.3Å; F184-K737 HydrophobicContact CE1-CB 4.06Å; F184-K737 HydrophobicContact CE1-CD 3.61Å; F184-K737 HydrophobicContact CE1-CG 3.85Å; F184-K737 HydrophobicContact CE2-CD 3.96Å; F184-K737 VanDerWaalsContact CE2-NZ 3.26Å; F184-K737 HydrophobicContact CG-CD 4.31Å; F184-K737 HydrophobicContact CG-CG 4.38Å; F184-K737 HydrophobicContact CZ-CD 3.61Å; F184-K737 HydrophobicContact CZ-CG 4.36Å | ||
| 185 | V | 57.7 | Low | 82 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 17% | 0.17 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -32.4 | 179.8 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | D187 H220 H223 I224 | V185-D187 PolarHBondContact O-N 2.9Å; V185-H220 HydrophobicContact CG1-CB 4.3Å; V185-H220 WeakPolarHBondContact CG1-O 3.47Å; V185-H220 WeakPolarHBondContact O-CB 3.12Å; V185-H223 HydrophobicContact CG1-CB 3.5Å; V185-H223 VanDerWaalsContact CG1-CB 3.5Å; V185-I224 HydrophobicContact CG1-CD1 4.45Å; V185-I224 HydrophobicContact CG1-CG1 4.02Å; V185-I224 WeakPolarHBondContact O-CD1 3.37Å |
| 186 | S | 61.3 | Low | 82 | Confident | 52 Ų | 52 | 44.3 Ų | 44.3 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.3 | 176.3 | 58 | 0 | 0 | 0 | 0 | 114.2 | F184 Y188 | F184-S186 PolarHBondContact O-N 3.36Å; F184-S186 VanDerWaalsContact O-N 3.07Å; S186-Y188 WeakPolarHBondContact O-CD1 3.4Å |
| 187 | D | 75.3 | Confident | 81.9 | Confident | 36 Ų | 36 | 47.7 Ų | 47.7 | 19% | 0.193 | 25% | 0.246 | C | C | . | . | trans | -95.1 | 96.3 | 176.7 | 175.3 | 18 | 0 | 0 | 0 | 110.4 | F184 V185 T189 E190 V191 H220 | F184-D187 HydrophobicContact CB-CB 4.35Å; F184-D187 WeakPolarHBondContact O-CB 3.48Å; F184-D187 PolarHBondContact O-N 3.22Å; V185-D187 PolarHBondContact O-N 2.9Å; D187-T189 PolarHBondContact OD1-N 3.27Å; D187-T189 VanDerWaalsContact OD1-N 3.15Å; D187-E190 WeakPolarHBondContact OD1-CA 3.46Å; D187-E190 WeakPolarHBondContact OD1-CB 3.43Å; D187-E190 PolarHBondContact OD1-N 3.25Å; D187-E190 WeakPolarHBondContact OD2-CB 3.49Å; D187-V191 HydrophobicContact CB-CG1 4.42Å; D187-V191 WeakPolarHBondContact O-CG1 3.26Å; D187-V191 WeakPolarHBondContact O-CG2 3.34Å; D187-V191 PolarHBondContact OD1-N 3.18Å; D187-V191 WeakPolarHBondContact OD2-CG1 3.46Å; D187-V191 PolarHBondContact OD2-N 2.8Å; D187-H220 PolarHBondContact O-CE1 3.23Å; D187-H220 PolarHBondContact O-ND1 2.96Å | ||
| 188 | Y | 82.5 | Confident | 81.7 | Confident | 73 Ų | 73 | 43.5 Ų | 43.5 | 29% | 0.286 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -105.4 | 9.3 | 174.4 | 54 | -95.6 | 0 | 0 | 0 | 112.6 | S186 G217 I221 I224 K235 | S186-Y188 WeakPolarHBondContact O-CD1 3.4Å; Y188-G217 WeakPolarHBondContact CB-O 2.98Å; Y188-I221 HydrophobicContact CD1-CG1 4.23Å; Y188-I221 HydrophobicContact CD2-CD1 3.97Å; Y188-I221 HydrophobicContact CD2-CG1 4Å; Y188-I221 HydrophobicContact CG-CD1 4.17Å; Y188-I221 HydrophobicContact CG-CG1 3.73Å; Y188-I224 HydrophobicContact CD1-CD1 4Å; Y188-I224 HydrophobicContact CE1-CD1 4.39Å; Y188-K235 VanDerWaalsContact O-CE 3.25Å; Y188-K235 WeakPolarHBondContact O-CE 3.44Å; Y188-K235 PolarHBondContact O-NZ 3.27Å |
| 189 | T | 84.8 | Confident | 81.8 | Confident | 64 Ų | 64 | 41.6 Ų | 41.6 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -123.9 | -50.8 | -174.1 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | D187 D192 N193 | D187-T189 PolarHBondContact OD1-N 3.27Å; D187-T189 VanDerWaalsContact OD1-N 3.15Å; T189-D192 PolarHBondContact O-N 2.87Å; T189-N193 WeakPolarHBondContact O-CB 3.34Å; T189-N193 VanDerWaalsContact O-CG 3.24Å; T189-N193 PolarHBondContact O-N 3.34Å; T189-N193 PolarHBondContact O-ND2 3.34Å |
| 190 | E | 84.6 | Confident | 82.1 | Confident | 120 Ų | 120 | 43.9 Ų | 43.9 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.8 | -35.2 | 178.7 | -178 | -179.3 | 177.7 | 0 | 0 | 110.7 | D187 D192 N193 N194 | D187-E190 WeakPolarHBondContact OD1-CA 3.46Å; D187-E190 WeakPolarHBondContact OD1-CB 3.43Å; D187-E190 PolarHBondContact OD1-N 3.25Å; D187-E190 WeakPolarHBondContact OD2-CB 3.49Å; E190-D192 VanDerWaalsContact C-N 3.32Å; E190-D192 PolarHBondContact O-N 3.43Å; E190-N193 PolarHBondContact O-N 2.89Å; E190-N194 WeakPolarHBondContact O-CB 3.5Å; E190-N194 PolarHBondContact O-N 3.06Å; E190-N194 PolarHBondContact O-ND2 3.24Å; E190-N194 VanDerWaalsContact O-ND2 3.12Å |
| 191 | V | 87.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.9 | -45.4 | 170.3 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | D187 N194 L216 | D187-V191 HydrophobicContact CB-CG1 4.42Å; D187-V191 WeakPolarHBondContact O-CG1 3.26Å; D187-V191 WeakPolarHBondContact O-CG2 3.34Å; D187-V191 PolarHBondContact OD1-N 3.18Å; D187-V191 WeakPolarHBondContact OD2-CG1 3.46Å; D187-V191 PolarHBondContact OD2-N 2.8Å; V191-N194 WeakPolarHBondContact O-CB 3.48Å; V191-L216 HydrophobicContact CB-CB 4.49Å; V191-L216 HydrophobicContact CG2-CB 4.31Å |
| 192 | D | 93.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -79.8 | -39.6 | -178.4 | -70.1 | -14 | 0 | 0 | 0 | 111.5 | T189 E190 N194 V195 T196 Y215 L216 G217 K235 E238 M239 | T189-D192 PolarHBondContact O-N 2.87Å; E190-D192 VanDerWaalsContact C-N 3.32Å; E190-D192 PolarHBondContact O-N 3.43Å; D192-N194 PolarHBondContact O-N 3.46Å; D192-V195 WeakPolarHBondContact O-CA 3.35Å; D192-V195 WeakPolarHBondContact O-CB 3.36Å; D192-V195 PolarHBondContact O-N 3.49Å; D192-T196 PolarHBondContact O-N 2.9Å; D192-T196 PolarHBondContact O-OG1 3.46Å; D192-Y215 HydrophobicContact CB-CD1 3.84Å; D192-Y215 HydrophobicContact CB-CE1 4.3Å; D192-L216 PolarHBondContact OD1-N 3.37Å; D192-L216 VanDerWaalsContact OD1-N 3.07Å; D192-G217 PolarHBondContact OD1-N 3.3Å; D192-G217 WeakPolarHBondContact OD2-CA 3.45Å; D192-G217 PolarHBondContact OD2-N 2.82Å; D192-K235 WeakPolarHBondContact OD2-CD 3.28Å; D192-K235 WeakPolarHBondContact OD2-CE 3.36Å; D192-K235 IonicContact OD2-NZ 3.85Å; D192-K235 PolarHBondContact OD2-NZ 3.15Å; D192-E238 WeakPolarHBondContact CB-OE1 3.44Å; D192-M239 HydrophobicContact CB-CE 4.44Å |
| 193 | N | 92 | Very high | 84.7 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.4 | -36.3 | 172.1 | -76.2 | -31.6 | 0 | 0 | 0 | 111.6 | T189 E190 V195 T196 R197 | T189-N193 WeakPolarHBondContact O-CB 3.34Å; T189-N193 VanDerWaalsContact O-CG 3.24Å; T189-N193 PolarHBondContact O-N 3.34Å; T189-N193 PolarHBondContact O-ND2 3.34Å; E190-N193 PolarHBondContact O-N 2.89Å; N193-V195 PolarHBondContact O-N 2.89Å; N193-T196 PolarHBondContact O-N 2.91Å; N193-R197 WeakPolarHBondContact O-CB 3.46Å; N193-R197 PolarHBondContact O-N 2.98Å |
| 194 | N | 91.2 | Very high | 86.2 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -32 | 176.4 | -80.1 | -27.7 | 0 | 0 | 0 | 112 | T180 E190 V191 D192 R197 H198 | T180-N194 HydrophobicContact CG2-CB 3.44Å; T180-N194 VanDerWaalsContact CG2-CB 3.44Å; E190-N194 WeakPolarHBondContact O-CB 3.5Å; E190-N194 PolarHBondContact O-N 3.06Å; E190-N194 PolarHBondContact O-ND2 3.24Å; E190-N194 VanDerWaalsContact O-ND2 3.12Å; V191-N194 WeakPolarHBondContact O-CB 3.48Å; D192-N194 PolarHBondContact O-N 3.46Å; N194-R197 PolarHBondContact O-NH1 3.27Å; N194-R197 PolarHBondContact OD1-NH1 3.15Å; N194-R197 VanDerWaalsContact OD1-NH1 3.15Å; N194-H198 PolarHBondContact O-CD2 3.49Å |
| 195 | V | 94 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.6 | -47.5 | 171.5 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | T180 D192 N193 R197 L213 Y215 | T180-V195 HydrophobicContact CG2-CG2 4.07Å; D192-V195 WeakPolarHBondContact O-CA 3.35Å; D192-V195 WeakPolarHBondContact O-CB 3.36Å; D192-V195 PolarHBondContact O-N 3.49Å; N193-V195 PolarHBondContact O-N 2.89Å; V195-R197 PolarHBondContact O-N 3.38Å; V195-L213 HydrophobicContact CG1-CB 4.21Å; V195-L213 HydrophobicContact CG1-CD2 3.91Å; V195-Y215 HydrophobicContact CB-CD1 4.03Å; V195-Y215 HydrophobicContact CB-CE1 3.58Å; V195-Y215 HydrophobicContact CG1-CD1 4.19Å; V195-Y215 HydrophobicContact CG1-CD2 4.39Å; V195-Y215 HydrophobicContact CG1-CE1 3.63Å; V195-Y215 HydrophobicContact CG1-CE2 3.85Å; V195-Y215 VanDerWaalsContact CG1-CZ 3.42Å; V195-Y215 HydrophobicContact CG2-CD1 4.39Å; V195-Y215 HydrophobicContact CG2-CE1 4.41Å |
| 196 | T | 95.1 | Very high | 88.9 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70 | -28.7 | -172.4 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | D192 N193 H198 L199 Y215 V242 | D192-T196 PolarHBondContact O-N 2.9Å; D192-T196 PolarHBondContact O-OG1 3.46Å; N193-T196 PolarHBondContact O-N 2.91Å; T196-H198 PolarHBondContact O-N 3.43Å; T196-H198 VanDerWaalsContact O-N 3.12Å; T196-L199 WeakPolarHBondContact O-CB 3.27Å; T196-L199 PolarHBondContact O-N 2.78Å; T196-Y215 WeakPolarHBondContact OG1-CE1 3.09Å; T196-Y215 PolarHBondContact OG1-OH 3.5Å; T196-V242 HydrophobicContact CG2-CG2 4.39Å |
| 197 | R | 94.1 | Very high | 90.3 | Very high | 125 Ų | 125 | 54.2 Ų | 54.2 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -28.8 | -175.9 | 73 | -170.8 | -164.7 | -98.5 | 29.6 | 114.3 | D178 N193 N194 V195 | D178-R197 IonicContact OD1-NH2 3.94Å; D178-R197 IonicContact OD2-CZ 3.38Å; D178-R197 IonicContact OD2-NE 2.67Å; D178-R197 IonicContact OD2-NH1 4Å; D178-R197 PolarHBondContact OD2-NH1 3.41Å; D178-R197 VanDerWaalsContact OD2-NH1 3.13Å; D178-R197 IonicContact OD2-NH2 3.32Å; D178-R197 PolarHBondContact OD2-NH2 2.88Å; N193-R197 WeakPolarHBondContact O-CB 3.46Å; N193-R197 PolarHBondContact O-N 2.98Å; N194-R197 PolarHBondContact O-NH1 3.27Å; N194-R197 PolarHBondContact OD1-NH1 3.15Å; N194-R197 VanDerWaalsContact OD1-NH1 3.15Å; V195-R197 PolarHBondContact O-N 3.38Å |
| 198 | H | 93 | Very high | 91.2 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 19% | 0.185 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -85.9 | -23.5 | 180 | -61.1 | -63 | 0 | 0 | 0 | 112.9 | Y161 D178 N194 T196 D200 S201 T202 | Y161-H198 HydrophobicContact CD1-CB 4.07Å; Y161-H198 AromaticContact CD1-CD2 3.55Å; Y161-H198 AromaticContact CD1-CG 3.93Å; Y161-H198 HydrophobicContact CD2-CB 3.95Å; Y161-H198 HydrophobicContact CE1-CB 3.74Å; Y161-H198 AromaticContact CE1-CD2 3.77Å; Y161-H198 AromaticContact CE1-CG 3.7Å; Y161-H198 HydrophobicContact CE2-CB 3.61Å; Y161-H198 HydrophobicContact CG-CB 4.17Å; Y161-H198 VanDerWaalsContact CZ-CB 3.49Å; Y161-H198 AromaticContact CZ-CG 3.99Å; D178-H198 IonicContact OD2-CD2 3.45Å; D178-H198 IonicContact OD2-CE1 3.48Å; D178-H198 IonicContact OD2-NE2 3.44Å; D178-H198 PolarHBondContact OD2-NE2 3.28Å; N194-H198 PolarHBondContact O-CD2 3.49Å; T196-H198 PolarHBondContact O-N 3.43Å; T196-H198 VanDerWaalsContact O-N 3.12Å; H198-D200 PolarHBondContact O-N 2.79Å; H198-S201 PolarHBondContact O-N 3.31Å; H198-S201 VanDerWaalsContact O-N 3.09Å; H198-S201 PolarHBondContact O-OG 3.09Å; H198-T202 PolarHBondContact O-N 2.83Å; H198-T202 VanDerWaalsContact O-N 3.12Å; H198-T202 PolarHBondContact O-OG1 3.06Å; H198-T202 VanDerWaalsContact O-OG1 3.1Å |
| 199 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | -164.3 | -172 | 60.7 | 0 | 0 | 0 | 113.1 | T196 S201 T202 L203 L211 L213 V242 K245 I246 | T196-L199 WeakPolarHBondContact O-CB 3.27Å; T196-L199 PolarHBondContact O-N 2.78Å; L199-S201 PolarHBondContact O-N 2.98Å; L199-T202 PolarHBondContact O-N 3.06Å; L199-L203 HydrophobicContact CD1-CD1 3.86Å; L199-L203 HydrophobicContact CD1-CD2 4.36Å; L199-L203 HydrophobicContact CD1-CG 3.86Å; L199-L203 HydrophobicContact CD2-CD1 4.42Å; L199-L203 HydrophobicContact CG-CD1 3.73Å; L199-L203 HydrophobicContact CG-CG 4.15Å; L199-L203 VanDerWaalsContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CB 3.34Å; L199-L203 VanDerWaalsContact O-CG 3.23Å; L199-L203 WeakPolarHBondContact O-CG 3.25Å; L199-L203 PolarHBondContact O-N 3.28Å; L199-L211 HydrophobicContact CD1-CD2 4.19Å; L199-L213 HydrophobicContact CD1-CD1 3.82Å; L199-L213 HydrophobicContact CD1-CD2 4.46Å; L199-V242 HydrophobicContact CD2-CG1 3.99Å; L199-K245 HydrophobicContact CD2-CD 4.35Å; L199-I246 HydrophobicContact CD1-CD1 4.41Å; L199-I246 HydrophobicContact CD1-CG1 4.09Å; L199-I246 HydrophobicContact CD2-CD1 4.31Å; L199-I246 HydrophobicContact CD2-CG1 4Å; L199-I246 HydrophobicContact CG-CG1 4.5Å |
| 200 | D | 93.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | 179.2 | -80.1 | -50.5 | 0 | 0 | 0 | 113.2 | H198 K204 K245 | H198-D200 PolarHBondContact O-N 2.79Å; D200-K204 VanDerWaalsContact O-CG 3.28Å; D200-K204 WeakPolarHBondContact O-CG 3.49Å; D200-K204 PolarHBondContact O-N 2.69Å; D200-K245 VanDerWaalsContact CG-CE 3.5Å; D200-K245 WeakPolarHBondContact OD1-CE 3.41Å; D200-K245 IonicContact OD1-NZ 3.27Å; D200-K245 PolarHBondContact OD1-NZ 3.49Å; D200-K245 IonicContact OD2-NZ 2.91Å; D200-K245 PolarHBondContact OD2-NZ 3.42Å |
| 201 | S | 94.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 41.7 Ų | 41.7 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.4 | -40.6 | -178.6 | 74 | 0 | 0 | 0 | 0 | 111 | H198 L199 K204 R205 | H198-S201 PolarHBondContact O-N 3.31Å; H198-S201 VanDerWaalsContact O-N 3.09Å; H198-S201 PolarHBondContact O-OG 3.09Å; L199-S201 PolarHBondContact O-N 2.98Å; S201-K204 PolarHBondContact O-N 3.47Å; S201-R205 WeakPolarHBondContact O-CD 3.41Å; S201-R205 WeakPolarHBondContact O-CG 3.37Å; S201-R205 PolarHBondContact O-N 3.25Å |
| 202 | T | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71 | -42.7 | -178.8 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | V159 Y161 H198 L199 K204 R205 W208 L211 | V159-T202 HydrophobicContact CG1-CG2 4.02Å; Y161-T202 HydrophobicContact CE2-CG2 4.23Å; Y161-T202 PolarHBondContact OH-OG1 3.3Å; H198-T202 PolarHBondContact O-N 2.83Å; H198-T202 VanDerWaalsContact O-N 3.12Å; H198-T202 PolarHBondContact O-OG1 3.06Å; H198-T202 VanDerWaalsContact O-OG1 3.1Å; L199-T202 PolarHBondContact O-N 3.06Å; T202-K204 VanDerWaalsContact C-N 3.28Å; T202-K204 PolarHBondContact O-N 3.33Å; T202-R205 PolarHBondContact O-N 3.44Å; T202-R205 VanDerWaalsContact O-N 3.14Å; T202-W208 PolarHBondContact O-NE1 2.88Å; T202-L211 HydrophobicContact CG2-CD1 4.12Å; T202-L211 HydrophobicContact CG2-CD2 4.49Å |
| 203 | L | 92.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -31.2 | 177.4 | -72.8 | 178.5 | 0 | 0 | 0 | 112.4 | L199 R205 W208 L211 I246 K253 | L199-L203 HydrophobicContact CD1-CD1 3.86Å; L199-L203 HydrophobicContact CD1-CD2 4.36Å; L199-L203 HydrophobicContact CD1-CG 3.86Å; L199-L203 HydrophobicContact CD2-CD1 4.42Å; L199-L203 HydrophobicContact CG-CD1 3.73Å; L199-L203 HydrophobicContact CG-CG 4.15Å; L199-L203 VanDerWaalsContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CB 3.34Å; L199-L203 VanDerWaalsContact O-CG 3.23Å; L199-L203 WeakPolarHBondContact O-CG 3.25Å; L199-L203 PolarHBondContact O-N 3.28Å; L203-R205 VanDerWaalsContact C-N 3.33Å; L203-W208 HydrophobicContact CD2-CZ2 4.46Å; L203-L211 HydrophobicContact CD2-CD2 4.32Å; L203-I246 HydrophobicContact CD1-CG1 4.24Å; L203-I246 HydrophobicContact CD2-CG2 4.49Å; L203-K253 WeakPolarHBondContact O-CE 3.32Å; L203-K253 PolarHBondContact O-NZ 3.42Å |
| 204 | K | 91.2 | Very high | 94.1 | Very high | 161 Ų | 161 | 37.5 Ų | 37.5 | 70% | 0.7 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -69.3 | -28.2 | 174.4 | -75.1 | 173.2 | -173.7 | 177 | 0 | 113.1 | D200 S201 T202 K253 | D200-K204 VanDerWaalsContact O-CG 3.28Å; D200-K204 WeakPolarHBondContact O-CG 3.49Å; D200-K204 PolarHBondContact O-N 2.69Å; S201-K204 PolarHBondContact O-N 3.47Å; T202-K204 VanDerWaalsContact C-N 3.28Å; T202-K204 PolarHBondContact O-N 3.33Å; K204-K253 PolarHBondContact O-NZ 3.45Å |
| 205 | R | 90.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 35.5 Ų | 35.5 | 28% | 0.279 | 17% | 0.172 | S | C | . | . | trans | -79.6 | 159.4 | -179.7 | -66.4 | 158.6 | 57.1 | -179.4 | 3.4 | 112.7 | E176 S201 T202 L203 D207 W208 K253 | E176-R205 IonicContact OE1-NH1 3.51Å; E176-R205 PolarHBondContact OE1-NH1 3.28Å; E176-R205 IonicContact OE2-CZ 2.79Å; E176-R205 VanDerWaalsContact OE2-CZ 3.31Å; E176-R205 IonicContact OE2-NH1 3.42Å; E176-R205 PolarHBondContact OE2-NH1 3.5Å; E176-R205 IonicContact OE2-NH2 2.72Å; E176-R205 PolarHBondContact OE2-NH2 3.34Å; S201-R205 WeakPolarHBondContact O-CD 3.41Å; S201-R205 WeakPolarHBondContact O-CG 3.37Å; S201-R205 PolarHBondContact O-N 3.25Å; T202-R205 PolarHBondContact O-N 3.44Å; T202-R205 VanDerWaalsContact O-N 3.14Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 VanDerWaalsContact CB-OD1 3.22Å; R205-D207 WeakPolarHBondContact CB-OD1 3.3Å; R205-D207 IonicContact CZ-OD1 2.83Å; R205-D207 IonicContact CZ-OD2 2.82Å; R205-D207 IonicContact NE-OD1 3.28Å; R205-D207 PolarHBondContact NE-OD1 3.1Å; R205-D207 IonicContact NE-OD2 3.79Å; R205-D207 PolarHBondContact NE-OD2 3.33Å; R205-D207 IonicContact NH2-OD1 3.31Å; R205-D207 PolarHBondContact NH2-OD1 3.42Å; R205-D207 IonicContact NH2-OD2 2.81Å; R205-D207 PolarHBondContact NH2-OD2 2.81Å; R205-W208 PolarHBondContact O-NE1 3.41Å; R205-K253 PolarHBondContact O-NZ 3.19Å | ||
| 206 | D | 86.6 | Confident | 94.4 | Very high | 93 Ų | 93 | 35.7 Ų | 35.7 | 50% | 0.497 | 17% | 0.173 | S | C | . | . | trans | -119.3 | 9.8 | 178.4 | -71.1 | -43.4 | 0 | 0 | 0 | 113.9 | R67 R157 W208 K253 | R67-D206 IonicContact CZ-OD1 3.46Å; R67-D206 VanDerWaalsContact CZ-OD1 3.27Å; R67-D206 IonicContact NH1-OD1 3.29Å; R67-D206 PolarHBondContact NH1-OD1 2.88Å; R67-D206 PolarHBondContact NH2-O 2.95Å; R67-D206 IonicContact NH2-OD1 3.63Å; R67-D206 PolarHBondContact NH2-OD1 3.42Å; R157-D206 PolarHBondContact NH2-O 2.8Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 3.46Å; D206-K253 IonicContact OD1-NZ 3.18Å; D206-K253 PolarHBondContact OD1-NZ 3.39Å; D206-K253 IonicContact OD2-NZ 3.66Å | ||
| 207 | D | 91.8 | Very high | 94.3 | Very high | 52 Ų | 52 | 34.3 Ų | 34.3 | 28% | 0.278 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -92.6 | 17.8 | -172.9 | 68.5 | -25.9 | 0 | 0 | 0 | 114.5 | R157 R205 | R157-D207 WeakPolarHBondContact CD-O 3.48Å; R157-D207 PolarHBondContact NE-O 3.29Å; R157-D207 VanDerWaalsContact NE-O 3.11Å; R157-D207 PolarHBondContact NH1-O 3.06Å; R205-D207 VanDerWaalsContact CB-OD1 3.22Å; R205-D207 WeakPolarHBondContact CB-OD1 3.3Å; R205-D207 IonicContact CZ-OD1 2.83Å; R205-D207 IonicContact CZ-OD2 2.82Å; R205-D207 IonicContact NE-OD1 3.28Å; R205-D207 PolarHBondContact NE-OD1 3.1Å; R205-D207 IonicContact NE-OD2 3.79Å; R205-D207 PolarHBondContact NE-OD2 3.33Å; R205-D207 IonicContact NH2-OD1 3.31Å; R205-D207 PolarHBondContact NH2-OD1 3.42Å; R205-D207 IonicContact NH2-OD2 2.81Å; R205-D207 PolarHBondContact NH2-OD2 2.81Å |
| 208 | W | 94.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | trans | -130.1 | 155.1 | 177.5 | 60.5 | -93.6 | 0 | 0 | 0 | 112 | R67 V69 V159 T202 L203 R205 D206 L211 L250 | R67-W208 HydrophobicContact CB-CH2 4.31Å; R67-W208 HydrophobicContact CB-CZ3 3.94Å; R67-W208 HydrophobicContact CG-CE3 4.47Å; R67-W208 HydrophobicContact CG-CH2 4.47Å; R67-W208 HydrophobicContact CG-CZ3 4.1Å; R67-W208 PolarHBondContact NE-O 3.36Å; V69-W208 HydrophobicContact CG2-CH2 3.75Å; V69-W208 HydrophobicContact CG2-CZ3 4.09Å; V159-W208 HydrophobicContact CG2-CB 3.84Å; V159-W208 HydrophobicContact CG2-CG 4.5Å; T202-W208 PolarHBondContact O-NE1 2.88Å; L203-W208 HydrophobicContact CD2-CZ2 4.46Å; R205-W208 PolarHBondContact O-NE1 3.41Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 3.46Å; W208-L211 HydrophobicContact CE3-CB 4Å; W208-L211 HydrophobicContact CH2-CB 4.29Å; W208-L211 HydrophobicContact CZ3-CB 3.86Å; W208-L250 HydrophobicContact CH2-CD2 4.23Å | ||
| 209 | D | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 9% | 0.091 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -116.8 | -31.3 | 179.1 | -50.2 | -58.9 | 0 | 0 | 0 | 111.5 | R67 V68 K156 R157 | R67-D209 WeakPolarHBondContact CA-O 3.36Å; V68-D209 PolarHBondContact N-O 3.03Å; K156-D209 HydrophobicContact CB-CB 4.29Å; K156-D209 HydrophobicContact CD-CB 4.18Å; R157-D209 WeakPolarHBondContact CB-OD2 3.44Å; R157-D209 PolarHBondContact N-OD2 3.39Å; R157-D209 IonicContact NE-OD1 3.39Å; R157-D209 IonicContact NE-OD2 2.75Å; R157-D209 PolarHBondContact NE-OD2 2.8Å; R157-D209 IonicContact NH2-OD1 3.04Å; R157-D209 PolarHBondContact NH2-OD1 3.03Å; R157-D209 PolarHBondContact O-N 2.87Å |
| 210 | V | 97.7 | Very high | 94 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 7% | 0.067 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.1 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | V68 R157 I158 V159 V212 L321 | V68-V210 WeakPolarHBondContact O-CA 3.23Å; R157-V210 PolarHBondContact O-N 3.15Å; R157-V210 VanDerWaalsContact O-N 3.1Å; I158-V210 WeakPolarHBondContact CA-O 3.22Å; I158-V210 HydrophobicContact CG1-CB 4.39Å; I158-V210 HydrophobicContact CG2-CB 4.14Å; I158-V210 HydrophobicContact CG2-CG1 4.22Å; V159-V210 PolarHBondContact N-O 2.9Å; V210-V212 HydrophobicContact CG1-CG2 4.02Å; V210-L321 HydrophobicContact CG2-CD1 4.11Å |
| 211 | L | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.4 | 171.8 | 175 | 61.1 | 0 | 0 | 0 | 108.8 | V68 V69 L70 V159 Y161 L199 T202 L203 W208 L213 | V68-L211 PolarHBondContact O-N 3.39Å; V69-L211 CarbonylContact C-O 3.53Å; V69-L211 VanDerWaalsContact CA-O 3.31Å; V69-L211 WeakPolarHBondContact CA-O 3.43Å; V69-L211 HydrophobicContact CG1-CB 4.32Å; V69-L211 HydrophobicContact CG1-CD2 4.11Å; V69-L211 HydrophobicContact CG1-CG 4.23Å; V69-L211 HydrophobicContact CG2-CB 4.23Å; V69-L211 HydrophobicContact CG2-CD2 4.37Å; L70-L211 PolarHBondContact N-O 3.45Å; V159-L211 HydrophobicContact CB-CD1 3.92Å; V159-L211 HydrophobicContact CG1-CD1 3.8Å; V159-L211 WeakPolarHBondContact O-CA 3.46Å; Y161-L211 HydrophobicContact CD2-CD1 4.2Å; Y161-L211 HydrophobicContact CE2-CD1 4.11Å; L199-L211 HydrophobicContact CD1-CD2 4.19Å; T202-L211 HydrophobicContact CG2-CD1 4.12Å; T202-L211 HydrophobicContact CG2-CD2 4.49Å; L203-L211 HydrophobicContact CD2-CD2 4.32Å; W208-L211 HydrophobicContact CE3-CB 4Å; W208-L211 HydrophobicContact CH2-CB 4.29Å; W208-L211 HydrophobicContact CZ3-CB 3.86Å; L211-L213 HydrophobicContact CD1-CD2 4.02Å; L211-L213 HydrophobicContact CD1-CG 4.46Å; L211-L213 HydrophobicContact CD2-CD1 4.41Å; L211-L213 HydrophobicContact CD2-CG 4.49Å; L211-L213 HydrophobicContact CG-CD2 4.25Å; L211-L213 HydrophobicContact CG-CG 4.18Å |
| 212 | V | 98.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.4 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | L70 V159 F160 Y161 W166 V210 | L70-V212 HydrophobicContact CB-CG2 4.37Å; L70-V212 HydrophobicContact CD2-CG1 4.36Å; L70-V212 WeakPolarHBondContact O-CA 3.45Å; V159-V212 PolarHBondContact O-N 2.99Å; F160-V212 WeakPolarHBondContact CA-O 3.37Å; F160-V212 HydrophobicContact CD2-CB 3.88Å; F160-V212 HydrophobicContact CD2-CG1 3.75Å; F160-V212 HydrophobicContact CE2-CG1 4.12Å; Y161-V212 PolarHBondContact N-O 3.37Å; W166-V212 HydrophobicContact CD2-CG1 4.44Å; W166-V212 HydrophobicContact CE3-CG1 4.31Å; W166-V212 HydrophobicContact CH2-CG1 4Å; W166-V212 HydrophobicContact CZ2-CG1 4.11Å; W166-V212 HydrophobicContact CZ3-CG1 4.1Å; V210-V212 HydrophobicContact CG1-CG2 4.02Å |
| 213 | L | 98.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.3 | 176.7 | -57.1 | 172.6 | 0 | 0 | 0 | 108.1 | V69 L70 V72 Y161 V195 L199 L211 Y215 I246 | V69-L213 HydrophobicContact CG1-CD1 4.46Å; L70-L213 PolarHBondContact O-N 3.44Å; V72-L213 PolarHBondContact N-O 3.12Å; Y161-L213 HydrophobicContact CD2-CD2 3.8Å; Y161-L213 CarbonylContact O-C 3.55Å; Y161-L213 VanDerWaalsContact O-CA 3.26Å; Y161-L213 WeakPolarHBondContact O-CA 3.36Å; V195-L213 HydrophobicContact CG1-CB 4.21Å; V195-L213 HydrophobicContact CG1-CD2 3.91Å; L199-L213 HydrophobicContact CD1-CD1 3.82Å; L199-L213 HydrophobicContact CD1-CD2 4.46Å; L211-L213 HydrophobicContact CD1-CD2 4.02Å; L211-L213 HydrophobicContact CD1-CG 4.46Å; L211-L213 HydrophobicContact CD2-CD1 4.41Å; L211-L213 HydrophobicContact CD2-CG 4.49Å; L211-L213 HydrophobicContact CG-CD2 4.25Å; L211-L213 HydrophobicContact CG-CG 4.18Å; L213-Y215 HydrophobicContact CB-CD2 4.38Å; L213-Y215 HydrophobicContact CB-CE2 3.85Å; L213-Y215 HydrophobicContact CD1-CE2 4.31Å; L213-I246 HydrophobicContact CD1-CD1 3.58Å |
| 214 | H | 97.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 108.6 | 176.1 | -170.7 | -153.5 | 0 | 0 | 0 | 110.8 | V72 D74 F160 Y161 G162 D163 W166 | V72-H214 HydrophobicContact CB-CB 4.43Å; V72-H214 VanDerWaalsContact CG1-CD2 3.44Å; V72-H214 WeakPolarHBondContact CG1-CD2 3.45Å; V72-H214 WeakPolarHBondContact O-CA 3.23Å; D74-H214 IonicContact OD2-CE1 2.7Å; D74-H214 IonicContact OD2-NE2 3.79Å; F160-H214 HydrophobicContact CE2-CB 4.27Å; Y161-H214 PolarHBondContact O-N 3.25Å; G162-H214 WeakPolarHBondContact CA-O 3.47Å; D163-H214 WeakPolarHBondContact CB-ND1 3.45Å; D163-H214 IonicContact OD2-CE1 3.14Å; W166-H214 AromaticContact CD1-ND1 3.7Å; W166-H214 AromaticContact NE1-CG 3.69Å; W166-H214 AromaticContact NE1-ND1 3.34Å; W166-H214 PolarHBondContact NE1-ND1 3.43Å |
| 215 | Y | 97.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134 | -177.4 | -71 | -85.6 | 0 | 0 | 0 | 111.1 | M71 V72 D74 D192 V195 T196 L213 M239 V242 | M71-Y215 HydrophobicContact CE-CD2 4.03Å; M71-Y215 HydrophobicContact CE-CE2 3.95Å; M71-Y215 HydrophobicContact CG-CD2 4.31Å; M71-Y215 HydrophobicContact CG-CE2 4.29Å; V72-Y215 PolarHBondContact O-N 3.45Å; D74-Y215 VanDerWaalsContact CB-O 3.26Å; D74-Y215 WeakPolarHBondContact CB-O 3.07Å; D74-Y215 PolarHBondContact N-O 3.31Å; D192-Y215 HydrophobicContact CB-CD1 3.84Å; D192-Y215 HydrophobicContact CB-CE1 4.3Å; V195-Y215 HydrophobicContact CB-CD1 4.03Å; V195-Y215 HydrophobicContact CB-CE1 3.58Å; V195-Y215 HydrophobicContact CG1-CD1 4.19Å; V195-Y215 HydrophobicContact CG1-CD2 4.39Å; V195-Y215 HydrophobicContact CG1-CE1 3.63Å; V195-Y215 HydrophobicContact CG1-CE2 3.85Å; V195-Y215 VanDerWaalsContact CG1-CZ 3.42Å; V195-Y215 HydrophobicContact CG2-CD1 4.39Å; V195-Y215 HydrophobicContact CG2-CE1 4.41Å; T196-Y215 WeakPolarHBondContact OG1-CE1 3.09Å; T196-Y215 PolarHBondContact OG1-OH 3.5Å; L213-Y215 HydrophobicContact CB-CD2 4.38Å; L213-Y215 HydrophobicContact CB-CE2 3.85Å; L213-Y215 HydrophobicContact CD1-CE2 4.31Å; Y215-M239 HydrophobicContact CD1-CE 3.75Å; Y215-M239 HydrophobicContact CD1-SD 3.8Å; Y215-M239 HydrophobicContact CD2-SD 4Å; Y215-M239 HydrophobicContact CE1-CE 4.12Å; Y215-M239 HydrophobicContact CE1-SD 4.42Å; Y215-M239 HydrophobicContact CG-CE 4.16Å; Y215-M239 HydrophobicContact CG-SD 3.55Å; Y215-M239 VanDerWaalsContact CG-SD 3.55Å; Y215-V242 HydrophobicContact CE2-CG1 4.03Å; Y215-V242 WeakPolarHBondContact OH-CG1 3.46Å |
| 216 | L | 94.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | trans | -110.5 | -19.7 | -170.8 | -70.3 | 163.3 | 0 | 0 | 0 | 113 | D74 D163 V191 D192 L218 D219 H220 | D74-L216 HydrophobicContact CB-CD2 4.31Å; D74-L216 WeakPolarHBondContact OD2-CD2 3.36Å; D163-L216 HydrophobicContact CB-CD1 4.02Å; D163-L216 HydrophobicContact CB-CD2 4.09Å; D163-L216 HydrophobicContact CB-CG 4.29Å; V191-L216 HydrophobicContact CB-CB 4.49Å; V191-L216 HydrophobicContact CG2-CB 4.31Å; D192-L216 PolarHBondContact OD1-N 3.37Å; D192-L216 VanDerWaalsContact OD1-N 3.07Å; L216-L218 PolarHBondContact O-N 3.35Å; L216-L218 VanDerWaalsContact O-N 3.12Å; L216-D219 PolarHBondContact O-N 3.3Å; L216-H220 PolarHBondContact O-CD2 2.86Å; L216-H220 PolarHBondContact O-N 3.25Å; L216-H220 VanDerWaalsContact O-N 3.12Å | ||
| 217 | G | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.9 | -27 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y188 D192 I221 | Y188-G217 WeakPolarHBondContact CB-O 2.98Å; D192-G217 PolarHBondContact OD1-N 3.3Å; D192-G217 WeakPolarHBondContact OD2-CA 3.45Å; D192-G217 PolarHBondContact OD2-N 2.82Å; G217-I221 WeakPolarHBondContact O-CD1 3.4Å; G217-I221 VanDerWaalsContact O-CG1 3.3Å; G217-I221 WeakPolarHBondContact O-CG1 3.15Å; G217-I221 PolarHBondContact O-N 3.49Å; G217-I221 VanDerWaalsContact O-N 3.12Å |
| 218 | L | 95.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.6 | -48.1 | 176.8 | -179.6 | 64.3 | 0 | 0 | 0 | 112.1 | V73 L76 F80 L216 H220 I221 G222 V232 K235 L236 M271 | V73-L218 HydrophobicContact CG1-CB 4.2Å; V73-L218 HydrophobicContact CG1-CD2 3.84Å; L76-L218 HydrophobicContact CB-CD2 4.4Å; L76-L218 HydrophobicContact CD1-CD2 4.11Å; F80-L218 HydrophobicContact CD2-CD2 4.22Å; F80-L218 HydrophobicContact CE2-CD1 4.37Å; F80-L218 HydrophobicContact CE2-CD2 4.23Å; L216-L218 PolarHBondContact O-N 3.35Å; L216-L218 VanDerWaalsContact O-N 3.12Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 2.99Å; L218-I221 PolarHBondContact O-N 3.18Å; L218-G222 PolarHBondContact O-N 3.32Å; L218-V232 HydrophobicContact CD1-CG1 4.09Å; L218-K235 HydrophobicContact CB-CG 4.13Å; L218-K235 HydrophobicContact CD1-CG 4.28Å; L218-L236 HydrophobicContact CD1-CD2 4.11Å; L218-L236 HydrophobicContact CD1-CG 4.25Å; L218-L236 HydrophobicContact CD2-CD2 3.73Å; L218-M271 HydrophobicContact CG-CE 4.44Å |
| 219 | D | 91.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.4 | 179.2 | 65.6 | 0 | 0 | 0 | 111.5 | D74 A75 L216 I221 G222 H223 H269 H277 | D74-D219 HydrophobicContact CB-CB 3.86Å; D74-D219 WeakPolarHBondContact OD1-CB 3.43Å; A75-D219 HydrophobicContact CB-CB 3.69Å; A75-D219 WeakPolarHBondContact CB-OD1 3.34Å; L216-D219 PolarHBondContact O-N 3.3Å; D219-I221 VanDerWaalsContact C-N 3.31Å; D219-I221 PolarHBondContact O-N 3.44Å; D219-G222 CarbonylContact O-C 3.33Å; D219-G222 VanDerWaalsContact O-CA 3.28Å; D219-G222 WeakPolarHBondContact O-CA 3.48Å; D219-G222 PolarHBondContact O-N 3.44Å; D219-H223 PolarHBondContact O-N 3.5Å; D219-H223 IonicContact OD2-CD2 3.51Å; D219-H223 PolarHBondContact OD2-CD2 3.44Å; D219-H223 IonicContact OD2-NE2 2.72Å; D219-H269 IonicContact OD1-CE1 2.78Å; D219-H277 IonicContact OD1-CD2 3.04Å; D219-H277 PolarHBondContact OD1-CD2 2.85Å; D219-H277 IonicContact OD1-NE2 3.37Å |
| 220 | H | 87.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.5 | -43.5 | 175.2 | -76.8 | -160.1 | 0 | 0 | 0 | 112.7 | S182 F184 V185 D187 L216 L218 G222 H223 I224 | S182-H220 PolarHBondContact O-NE2 3.07Å; F184-H220 PolarHBondContact O-CE1 3.03Å; F184-H220 PolarHBondContact O-ND1 3.17Å; V185-H220 HydrophobicContact CG1-CB 4.3Å; V185-H220 WeakPolarHBondContact CG1-O 3.47Å; V185-H220 WeakPolarHBondContact O-CB 3.12Å; D187-H220 PolarHBondContact O-CE1 3.23Å; D187-H220 PolarHBondContact O-ND1 2.96Å; L216-H220 PolarHBondContact O-CD2 2.86Å; L216-H220 PolarHBondContact O-N 3.25Å; L216-H220 VanDerWaalsContact O-N 3.12Å; L218-H220 VanDerWaalsContact C-N 3.33Å; L218-H220 PolarHBondContact O-N 2.99Å; H220-G222 VanDerWaalsContact C-N 3.34Å; H220-H223 PolarHBondContact O-N 3.45Å; H220-I224 WeakPolarHBondContact O-CD1 3.42Å; H220-I224 VanDerWaalsContact O-CG1 3.25Å; H220-I224 WeakPolarHBondContact O-CG1 3.43Å; H220-I224 PolarHBondContact O-N 3.46Å |
| 221 | I | 84.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 173.9 | -72.8 | 165 | 0 | 0 | 0 | 111.3 | Y188 G217 L218 D219 I224 S225 L231 V232 K235 | Y188-I221 HydrophobicContact CD1-CG1 4.23Å; Y188-I221 HydrophobicContact CD2-CD1 3.97Å; Y188-I221 HydrophobicContact CD2-CG1 4Å; Y188-I221 HydrophobicContact CG-CD1 4.17Å; Y188-I221 HydrophobicContact CG-CG1 3.73Å; G217-I221 WeakPolarHBondContact O-CD1 3.4Å; G217-I221 VanDerWaalsContact O-CG1 3.3Å; G217-I221 WeakPolarHBondContact O-CG1 3.15Å; G217-I221 PolarHBondContact O-N 3.49Å; G217-I221 VanDerWaalsContact O-N 3.12Å; L218-I221 PolarHBondContact O-N 3.18Å; D219-I221 VanDerWaalsContact C-N 3.31Å; D219-I221 PolarHBondContact O-N 3.44Å; I221-I224 PolarHBondContact O-N 3.43Å; I221-S225 PolarHBondContact O-N 2.86Å; I221-S225 PolarHBondContact O-OG 3.28Å; I221-L231 HydrophobicContact CD1-CB 4.04Å; I221-L231 HydrophobicContact CG1-CB 4.25Å; I221-L231 HydrophobicContact CG2-CB 3.79Å; I221-V232 HydrophobicContact CG2-CG2 3.65Å; I221-K235 HydrophobicContact CD1-CB 3.64Å; I221-K235 HydrophobicContact CD1-CG 3.87Å |
| 222 | G | 85 | Confident | 87.3 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -52.4 | -58.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L218 D219 H220 I224 S225 G226 G275 | L218-G222 PolarHBondContact O-N 3.32Å; D219-G222 CarbonylContact O-C 3.33Å; D219-G222 VanDerWaalsContact O-CA 3.28Å; D219-G222 WeakPolarHBondContact O-CA 3.48Å; D219-G222 PolarHBondContact O-N 3.44Å; H220-G222 VanDerWaalsContact C-N 3.34Å; G222-I224 PolarHBondContact O-N 3.05Å; G222-I224 VanDerWaalsContact O-N 3.14Å; G222-S225 PolarHBondContact O-N 2.95Å; G222-G226 WeakPolarHBondContact O-CA 3.24Å; G222-G226 PolarHBondContact O-N 2.69Å; G222-G275 CarbonylContact C-O 3.41Å; G222-G275 VanDerWaalsContact O-CA 3.32Å; G222-G275 WeakPolarHBondContact O-CA 3.34Å |
| 223 | H | 78.6 | Confident | 87.1 | Confident | 49 Ų | 49 | 30.6 Ų | 30.6 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -26.3 | -179.9 | -80.2 | -31 | 0 | 0 | 0 | 115.9 | V185 D219 H220 G275 H277 R793 | V185-H223 HydrophobicContact CG1-CB 3.5Å; V185-H223 VanDerWaalsContact CG1-CB 3.5Å; D219-H223 PolarHBondContact O-N 3.5Å; D219-H223 IonicContact OD2-CD2 3.51Å; D219-H223 PolarHBondContact OD2-CD2 3.44Å; D219-H223 IonicContact OD2-NE2 2.72Å; H220-H223 PolarHBondContact O-N 3.45Å; H223-G275 WeakPolarHBondContact CA-O 3.38Å; H223-G275 PolarHBondContact N-O 2.91Å; H223-G275 PolarHBondContact ND1-O 2.98Å; H223-H277 AromaticContact CE1-CD2 3.29Å; H223-H277 PolarHBondContact CE1-CD2 3.06Å; H223-H277 AromaticContact CE1-NE2 3.24Å; H223-H277 PolarHBondContact CE1-NE2 3.33Å; H223-H277 AromaticContact NE2-CD2 3.68Å; H223-H277 AromaticContact NE2-NE2 3.16Å; H223-H277 PolarHBondContact NE2-NE2 2.92Å; H223-H277 VanDerWaalsContact NE2-NE2 3.16Å; H223-R793 PolarHBondContact O-NH1 2.94Å |
| 224 | I | 71.1 | Confident | 86.9 | Confident | 70 Ų | 70 | 34.2 Ų | 34.2 | 36% | 0.359 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -83.2 | -43.8 | 177.6 | -66 | 165.4 | 0 | 0 | 0 | 111.4 | V185 Y188 H220 I221 G222 | V185-I224 HydrophobicContact CG1-CD1 4.45Å; V185-I224 HydrophobicContact CG1-CG1 4.02Å; V185-I224 WeakPolarHBondContact O-CD1 3.37Å; Y188-I224 HydrophobicContact CD1-CD1 4Å; Y188-I224 HydrophobicContact CE1-CD1 4.39Å; H220-I224 WeakPolarHBondContact O-CD1 3.42Å; H220-I224 VanDerWaalsContact O-CG1 3.25Å; H220-I224 WeakPolarHBondContact O-CG1 3.43Å; H220-I224 PolarHBondContact O-N 3.46Å; I221-I224 PolarHBondContact O-N 3.43Å; G222-I224 PolarHBondContact O-N 3.05Å; G222-I224 VanDerWaalsContact O-N 3.14Å |
| 225 | S | 69.4 | Low | 86.8 | Confident | 30 Ų | 30 | 34.5 Ų | 34.5 | 21% | 0.21 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -145 | 1.3 | -160.5 | 58.8 | 0 | 0 | 0 | 0 | 115.9 | I221 G222 S229 | I221-S225 PolarHBondContact O-N 2.86Å; I221-S225 PolarHBondContact O-OG 3.28Å; G222-S225 PolarHBondContact O-N 2.95Å; S225-S229 WeakPolarHBondContact CB-OG 3.25Å; S225-S229 WeakPolarHBondContact OG-CB 3.47Å; S225-S229 PolarHBondContact OG-OG 2.9Å |
| 226 | G | 79.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | 77.9 | 171.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | G222 H228 S229 | G222-G226 WeakPolarHBondContact O-CA 3.24Å; G222-G226 PolarHBondContact O-N 2.69Å; G226-H228 VanDerWaalsContact C-N 3.28Å; G226-H228 PolarHBondContact O-N 3.31Å; G226-S229 WeakPolarHBondContact O-CB 3.39Å; G226-S229 PolarHBondContact O-N 3.46Å | ||
| 227 | P | 84.6 | Confident | 87 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.2 | -175.1 | 27.5 | -35.4 | 0 | 0 | 0 | 114.5 | F80 V232 M271 T272 E273 | F80-P227 HydrophobicContact CE1-CB 4.16Å; F80-P227 HydrophobicContact CZ-CB 3.69Å; P227-V232 WeakPolarHBondContact O-CG2 3.33Å; P227-M271 HydrophobicContact CB-CG 4.19Å; P227-M271 HydrophobicContact CB-SD 3.78Å; P227-M271 HydrophobicContact CG-SD 4.37Å; P227-T272 WeakPolarHBondContact CD-O 3.38Å; P227-T272 WeakPolarHBondContact CG-O 3.47Å; P227-E273 WeakPolarHBondContact CD-O 3.35Å |
| 228 | H | 83.6 | Confident | 87.2 | Confident | 141 Ų | 141 | 39.4 Ų | 39.4 | 65% | 0.653 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.3 | 179.4 | -59.5 | -61.7 | 0 | 0 | 0 | 113.5 | G226 E273 | G226-H228 VanDerWaalsContact C-N 3.28Å; G226-H228 PolarHBondContact O-N 3.31Å; H228-E273 IonicContact CD2-OE2 2.78Å; H228-E273 PolarHBondContact CD2-OE2 3.22Å; H228-E273 IonicContact CE1-OE2 3.71Å; H228-E273 IonicContact NE2-OE2 3.94Å; H228-E273 PolarHBondContact NE2-OE2 3.28Å |
| 229 | S | 82.3 | Confident | 87.4 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -61.2 | 142.9 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | S225 G226 L231 V232 | S225-S229 WeakPolarHBondContact CB-OG 3.25Å; S225-S229 WeakPolarHBondContact OG-CB 3.47Å; S225-S229 PolarHBondContact OG-OG 2.9Å; G226-S229 WeakPolarHBondContact O-CB 3.39Å; G226-S229 PolarHBondContact O-N 3.46Å; S229-L231 PolarHBondContact O-N 3.12Å; S229-L231 PolarHBondContact OG-N 3.29Å; S229-V232 WeakPolarHBondContact O-CB 3.43Å; S229-V232 PolarHBondContact O-N 3.24Å |
| 230 | S | 83.8 | Confident | 87.7 | Confident | 108 Ų | 108 | 39.1 Ų | 39.1 | 76% | 0.755 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16 | 172.6 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | P234 | S230-P234 WeakPolarHBondContact O-CD 3.26Š|
| 231 | L | 85.9 | Confident | 88.2 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -22.7 | 176 | -60.2 | 177.6 | 0 | 0 | 0 | 113.6 | I221 S229 P234 K235 | I221-L231 HydrophobicContact CD1-CB 4.04Å; I221-L231 HydrophobicContact CG1-CB 4.25Å; I221-L231 HydrophobicContact CG2-CB 3.79Å; S229-L231 PolarHBondContact O-N 3.12Å; S229-L231 PolarHBondContact OG-N 3.29Å; L231-P234 WeakPolarHBondContact O-CD 3.44Å; L231-K235 WeakPolarHBondContact O-CB 3.41Å; L231-K235 PolarHBondContact O-N 3.32Å |
| 232 | V | 91.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.8 | -46.1 | -176.3 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | F80 L218 I221 P227 S229 K235 L236 | F80-V232 HydrophobicContact CE1-CG1 4.31Å; F80-V232 HydrophobicContact CE2-CG1 4.44Å; F80-V232 HydrophobicContact CZ-CG1 4.08Å; L218-V232 HydrophobicContact CD1-CG1 4.09Å; I221-V232 HydrophobicContact CG2-CG2 3.65Å; P227-V232 WeakPolarHBondContact O-CG2 3.33Å; S229-V232 WeakPolarHBondContact O-CB 3.43Å; S229-V232 PolarHBondContact O-N 3.24Å; V232-K235 PolarHBondContact O-N 3.29Å; V232-L236 HydrophobicContact CG1-CD1 3.59Å; V232-L236 HydrophobicContact CG1-CG 4.13Å; V232-L236 WeakPolarHBondContact O-CG 3.47Å; V232-L236 PolarHBondContact O-N 3.2Å |
| 233 | R | 93.7 | Very high | 89.5 | Confident | 135 Ų | 135 | 44 Ų | 44 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -51.7 | -179.1 | 171.2 | 175.9 | -179 | -117.1 | -1.2 | 112.9 | S88 K235 L236 L237 | S88-R233 PolarHBondContact O-NE 3.12Å; R233-K235 VanDerWaalsContact C-N 3.26Å; R233-K235 PolarHBondContact O-N 3.26Å; R233-L236 PolarHBondContact O-N 2.98Å; R233-L237 HydrophobicContact CG-CD1 4.22Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 3.35Å |
| 234 | P | 94.6 | Very high | 90.4 | Very high | 76 Ų | 76 | 46.6 Ų | 46.6 | 49% | 0.494 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.1 | -40.1 | 173.9 | -27 | 34.6 | 0 | 0 | 0 | 113.3 | S230 L231 L237 E238 | S230-P234 WeakPolarHBondContact O-CD 3.26Å; L231-P234 WeakPolarHBondContact O-CD 3.44Å; P234-L237 PolarHBondContact O-N 3.49Å; P234-E238 PolarHBondContact O-N 3.21Å |
| 235 | K | 96.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 178.2 | 179.9 | 56.7 | 60.1 | 178.7 | 0 | 112.7 | Y188 D192 L218 I221 L231 V232 R233 L237 E238 M239 | Y188-K235 VanDerWaalsContact O-CE 3.25Å; Y188-K235 WeakPolarHBondContact O-CE 3.44Å; Y188-K235 PolarHBondContact O-NZ 3.27Å; D192-K235 WeakPolarHBondContact OD2-CD 3.28Å; D192-K235 WeakPolarHBondContact OD2-CE 3.36Å; D192-K235 IonicContact OD2-NZ 3.85Å; D192-K235 PolarHBondContact OD2-NZ 3.15Å; L218-K235 HydrophobicContact CB-CG 4.13Å; L218-K235 HydrophobicContact CD1-CG 4.28Å; I221-K235 HydrophobicContact CD1-CB 3.64Å; I221-K235 HydrophobicContact CD1-CG 3.87Å; L231-K235 WeakPolarHBondContact O-CB 3.41Å; L231-K235 PolarHBondContact O-N 3.32Å; V232-K235 PolarHBondContact O-N 3.29Å; R233-K235 VanDerWaalsContact C-N 3.26Å; R233-K235 PolarHBondContact O-N 3.26Å; K235-L237 VanDerWaalsContact C-N 3.33Å; K235-E238 WeakPolarHBondContact CE-OE2 3.42Å; K235-E238 VanDerWaalsContact NZ-CD 3.32Å; K235-E238 IonicContact NZ-OE1 2.78Å; K235-E238 PolarHBondContact NZ-OE1 3.45Å; K235-E238 IonicContact NZ-OE2 3.16Å; K235-E238 PolarHBondContact NZ-OE2 2.87Å; K235-E238 WeakPolarHBondContact O-CB 3.4Å; K235-E238 PolarHBondContact O-N 3.24Å; K235-M239 HydrophobicContact CD-CE 4.32Å; K235-M239 WeakPolarHBondContact O-CG 3.46Å; K235-M239 PolarHBondContact O-N 3.24Å |
| 236 | L | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -34.4 | 176.1 | -70 | 173.2 | 0 | 0 | 0 | 112.1 | L76 F80 H89 M90 L218 V232 R233 M239 D240 | L76-L236 HydrophobicContact CD1-CD2 3.89Å; F80-L236 HydrophobicContact CB-CD1 3.86Å; F80-L236 HydrophobicContact CB-CD2 4.48Å; F80-L236 HydrophobicContact CD1-CD1 4.25Å; F80-L236 HydrophobicContact CD2-CD1 4.03Å; F80-L236 HydrophobicContact CD2-CD2 4.31Å; F80-L236 HydrophobicContact CG-CD1 3.8Å; H89-L236 HydrophobicContact CB-CB 4.08Å; H89-L236 HydrophobicContact CB-CD1 3.68Å; H89-L236 CarbonylContact O-C 3.54Å; M90-L236 HydrophobicContact CG-CB 4.03Å; M90-L236 HydrophobicContact CG-CD2 4.45Å; M90-L236 HydrophobicContact SD-CD2 4.23Å; L218-L236 HydrophobicContact CD1-CD2 4.11Å; L218-L236 HydrophobicContact CD1-CG 4.25Å; L218-L236 HydrophobicContact CD2-CD2 3.73Å; V232-L236 HydrophobicContact CG1-CD1 3.59Å; V232-L236 HydrophobicContact CG1-CG 4.13Å; V232-L236 WeakPolarHBondContact O-CG 3.47Å; V232-L236 PolarHBondContact O-N 3.2Å; R233-L236 PolarHBondContact O-N 2.98Å; L236-M239 PolarHBondContact O-N 3.47Å; L236-D240 WeakPolarHBondContact O-CB 3.49Å; L236-D240 PolarHBondContact O-N 3.47Å |
| 237 | L | 98 | Very high | 93.8 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 28% | 0.277 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 171.9 | -72.2 | 170.5 | 0 | 0 | 0 | 111.8 | H89 P91 R233 P234 K235 D240 D241 | H89-L237 PolarHBondContact O-N 3.2Å; P91-L237 HydrophobicContact CG-CD2 4.07Å; R233-L237 HydrophobicContact CG-CD1 4.22Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 3.35Å; P234-L237 PolarHBondContact O-N 3.49Å; K235-L237 VanDerWaalsContact C-N 3.33Å; L237-D240 PolarHBondContact O-N 2.87Å; L237-D241 PolarHBondContact O-N 2.68Å |
| 238 | E | 97.9 | Very high | 94.3 | Very high | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 173.1 | -176.8 | -167.4 | 148.6 | 0 | 0 | 111.4 | D192 P234 K235 D240 D241 V242 | D192-E238 WeakPolarHBondContact CB-OE1 3.44Å; P234-E238 PolarHBondContact O-N 3.21Å; K235-E238 WeakPolarHBondContact CE-OE2 3.42Å; K235-E238 VanDerWaalsContact NZ-CD 3.32Å; K235-E238 IonicContact NZ-OE1 2.78Å; K235-E238 PolarHBondContact NZ-OE1 3.45Å; K235-E238 IonicContact NZ-OE2 3.16Å; K235-E238 PolarHBondContact NZ-OE2 2.87Å; K235-E238 WeakPolarHBondContact O-CB 3.4Å; K235-E238 PolarHBondContact O-N 3.24Å; E238-D240 VanDerWaalsContact C-N 3.33Å; E238-D240 PolarHBondContact O-N 3.49Å; E238-D241 PolarHBondContact O-N 2.87Å; E238-V242 WeakPolarHBondContact O-CG2 3.16Å; E238-V242 PolarHBondContact O-N 2.96Å |
| 239 | M | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 177.3 | -64.6 | -57.5 | 99.9 | 0 | 0 | 112.3 | M71 V73 M90 D192 Y215 K235 L236 V242 L243 | M71-M239 HydrophobicContact CE-CB 4.14Å; M71-M239 WeakPolarHBondContact CE-O 3.43Å; M71-M239 HydrophobicContact CE-SD 4.01Å; V73-M239 HydrophobicContact CG1-CG 4.08Å; V73-M239 HydrophobicContact CG1-SD 4.42Å; V73-M239 HydrophobicContact CG2-CB 4.48Å; V73-M239 HydrophobicContact CG2-CG 4.25Å; V73-M239 HydrophobicContact CG2-SD 4.14Å; M90-M239 HydrophobicContact CE-CB 4.24Å; D192-M239 HydrophobicContact CB-CE 4.44Å; Y215-M239 HydrophobicContact CD1-CE 3.75Å; Y215-M239 HydrophobicContact CD1-SD 3.8Å; Y215-M239 HydrophobicContact CD2-SD 4Å; Y215-M239 HydrophobicContact CE1-CE 4.12Å; Y215-M239 HydrophobicContact CE1-SD 4.42Å; Y215-M239 HydrophobicContact CG-CE 4.16Å; Y215-M239 HydrophobicContact CG-SD 3.55Å; Y215-M239 VanDerWaalsContact CG-SD 3.55Å; K235-M239 HydrophobicContact CD-CE 4.32Å; K235-M239 WeakPolarHBondContact O-CG 3.46Å; K235-M239 PolarHBondContact O-N 3.24Å; L236-M239 PolarHBondContact O-N 3.47Å; M239-V242 PolarHBondContact O-N 2.85Å; M239-L243 WeakPolarHBondContact O-CB 3.4Å; M239-L243 PolarHBondContact O-N 3.3Å |
| 240 | D | 98.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.4 | -165 | 54.9 | 0 | 0 | 0 | 112.1 | M90 P91 Y92 T93 L236 L237 E238 L243 K244 | M90-D240 HydrophobicContact CB-CB 4.13Å; M90-D240 HydrophobicContact CE-CB 4.08Å; M90-D240 HydrophobicContact CG-CB 4.27Å; P91-D240 WeakPolarHBondContact CD-OD2 3.28Å; P91-D240 WeakPolarHBondContact CG-OD2 3.42Å; Y92-D240 WeakPolarHBondContact CA-OD2 3.36Å; Y92-D240 WeakPolarHBondContact CB-OD2 3.34Å; Y92-D240 PolarHBondContact N-OD1 3.46Å; Y92-D240 PolarHBondContact N-OD2 2.67Å; T93-D240 VanDerWaalsContact CB-OD1 3.27Å; T93-D240 WeakPolarHBondContact CB-OD1 3.29Å; T93-D240 PolarHBondContact N-OD1 3.12Å; T93-D240 PolarHBondContact OG1-OD1 2.85Å; L236-D240 WeakPolarHBondContact O-CB 3.49Å; L236-D240 PolarHBondContact O-N 3.47Å; L237-D240 PolarHBondContact O-N 2.87Å; E238-D240 VanDerWaalsContact C-N 3.33Å; E238-D240 PolarHBondContact O-N 3.49Å; D240-L243 PolarHBondContact O-N 3Å; D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 PolarHBondContact O-N 2.96Å |
| 241 | D | 98.3 | Very high | 95.6 | Very high | 99 Ų | 99 | 40 Ų | 40 | 53% | 0.529 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.3 | -39 | 174.5 | -82.8 | -26.3 | 0 | 0 | 0 | 112.2 | L237 E238 K244 K245 | L237-D241 PolarHBondContact O-N 2.68Å; E238-D241 PolarHBondContact O-N 2.87Å; D241-K244 PolarHBondContact O-N 3.17Å; D241-K245 WeakPolarHBondContact O-CB 3.26Å; D241-K245 PolarHBondContact O-N 3.25Å |
| 242 | V | 98.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 171.9 | 168 | 0 | 0 | 0 | 0 | 110.6 | M71 T196 L199 Y215 E238 M239 K244 K245 I246 | M71-V242 HydrophobicContact CE-CB 4.08Å; M71-V242 HydrophobicContact CE-CG1 3.73Å; M71-V242 HydrophobicContact SD-CG1 4.03Å; T196-V242 HydrophobicContact CG2-CG2 4.39Å; L199-V242 HydrophobicContact CD2-CG1 3.99Å; Y215-V242 HydrophobicContact CE2-CG1 4.03Å; Y215-V242 WeakPolarHBondContact OH-CG1 3.46Å; E238-V242 WeakPolarHBondContact O-CG2 3.16Å; E238-V242 PolarHBondContact O-N 2.96Å; M239-V242 PolarHBondContact O-N 2.85Å; V242-K244 VanDerWaalsContact C-N 3.33Å; V242-K244 PolarHBondContact O-N 3.4Å; V242-K245 WeakPolarHBondContact O-CB 3.22Å; V242-K245 PolarHBondContact O-N 2.93Å; V242-I246 HydrophobicContact CG1-CD1 3.87Å; V242-I246 WeakPolarHBondContact O-CG1 3.31Å; V242-I246 PolarHBondContact O-N 2.9Å |
| 243 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 177.3 | -176.1 | 148 | 0 | 0 | 0 | 111.2 | M71 Y92 T93 L96 M239 D240 K245 I246 H247 L263 L265 I292 | M71-L243 HydrophobicContact SD-CB 4.16Å; Y92-L243 HydrophobicContact CD1-CD2 3.72Å; Y92-L243 HydrophobicContact CE1-CD2 3.86Å; T93-L243 HydrophobicContact CG2-CD1 4.46Å; L96-L243 HydrophobicContact CD1-CD2 3.82Å; M239-L243 WeakPolarHBondContact O-CB 3.4Å; M239-L243 PolarHBondContact O-N 3.3Å; D240-L243 PolarHBondContact O-N 3Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 2.85Å; L243-I246 PolarHBondContact O-N 2.86Å; L243-H247 WeakPolarHBondContact O-CB 3.48Å; L243-H247 PolarHBondContact O-N 3.03Å; L243-L263 HydrophobicContact CG-CD2 4.23Å; L243-L265 HydrophobicContact CD1-CB 3.81Å; L243-L265 HydrophobicContact CD1-CD1 4.16Å; L243-L265 HydrophobicContact CD1-CD2 3.66Å; L243-L265 HydrophobicContact CD1-CG 4.07Å; L243-I292 HydrophobicContact CD1-CD1 4.41Å; L243-I292 HydrophobicContact CD2-CD1 4.24Å |
| 244 | K | 97.9 | Very high | 94.4 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 45% | 0.448 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 176.5 | -178.6 | 178.3 | 177.1 | -174.2 | 0 | 112.4 | Y92 D240 D241 V242 H247 G248 | Y92-K244 HydrophobicContact CD1-CB 3.49Å; Y92-K244 VanDerWaalsContact CD1-CB 3.49Å; Y92-K244 HydrophobicContact CD1-CG 3.91Å; Y92-K244 HydrophobicContact CD2-CB 4.36Å; Y92-K244 HydrophobicContact CD2-CD 3.93Å; Y92-K244 HydrophobicContact CD2-CG 3.93Å; Y92-K244 VanDerWaalsContact CE1-CA 3.43Å; Y92-K244 HydrophobicContact CE1-CB 3.72Å; Y92-K244 HydrophobicContact CE1-CG 3.88Å; Y92-K244 HydrophobicContact CE2-CD 4.28Å; Y92-K244 HydrophobicContact CE2-CG 3.89Å; Y92-K244 HydrophobicContact CG-CB 3.83Å; Y92-K244 HydrophobicContact CG-CD 4.04Å; Y92-K244 HydrophobicContact CG-CG 3.92Å; D240-K244 WeakPolarHBondContact O-CB 3.33Å; D240-K244 PolarHBondContact O-N 2.96Å; D241-K244 PolarHBondContact O-N 3.17Å; V242-K244 VanDerWaalsContact C-N 3.33Å; V242-K244 PolarHBondContact O-N 3.4Å; K244-H247 PolarHBondContact O-N 3.4Å; K244-G248 PolarHBondContact O-N 3.5Å |
| 245 | K | 97 | Very high | 93 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 177.5 | -177.4 | 178.5 | -176.1 | 174.2 | 0 | 111.9 | L199 D200 D241 V242 L243 S249 | L199-K245 HydrophobicContact CD2-CD 4.35Å; D200-K245 VanDerWaalsContact CG-CE 3.5Å; D200-K245 WeakPolarHBondContact OD1-CE 3.41Å; D200-K245 IonicContact OD1-NZ 3.27Å; D200-K245 PolarHBondContact OD1-NZ 3.49Å; D200-K245 IonicContact OD2-NZ 2.91Å; D200-K245 PolarHBondContact OD2-NZ 3.42Å; D241-K245 WeakPolarHBondContact O-CB 3.26Å; D241-K245 PolarHBondContact O-N 3.25Å; V242-K245 WeakPolarHBondContact O-CB 3.22Å; V242-K245 PolarHBondContact O-N 2.93Å; L243-K245 VanDerWaalsContact C-N 3.32Å; L243-K245 PolarHBondContact O-N 2.85Å; K245-S249 PolarHBondContact O-N 3.06Å |
| 246 | I | 97.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -51.3 | 176.5 | -65.3 | 164.5 | 0 | 0 | 0 | 109.9 | V69 M71 L199 L203 L213 V242 L243 G248 S249 L250 L263 | V69-I246 HydrophobicContact CB-CG2 4.26Å; V69-I246 HydrophobicContact CG1-CD1 4.43Å; V69-I246 HydrophobicContact CG1-CG2 3.97Å; V69-I246 HydrophobicContact CG2-CG2 4.14Å; M71-I246 HydrophobicContact SD-CD1 4.06Å; L199-I246 HydrophobicContact CD1-CD1 4.41Å; L199-I246 HydrophobicContact CD1-CG1 4.09Å; L199-I246 HydrophobicContact CD2-CD1 4.31Å; L199-I246 HydrophobicContact CD2-CG1 4Å; L199-I246 HydrophobicContact CG-CG1 4.5Å; L203-I246 HydrophobicContact CD1-CG1 4.24Å; L203-I246 HydrophobicContact CD2-CG2 4.49Å; L213-I246 HydrophobicContact CD1-CD1 3.58Å; V242-I246 HydrophobicContact CG1-CD1 3.87Å; V242-I246 WeakPolarHBondContact O-CG1 3.31Å; V242-I246 PolarHBondContact O-N 2.9Å; L243-I246 PolarHBondContact O-N 2.86Å; I246-G248 PolarHBondContact O-N 3.15Å; I246-S249 PolarHBondContact O-N 3.17Å; I246-L250 HydrophobicContact CG2-CD1 3.85Å; I246-L250 HydrophobicContact CG2-CG 4.36Å; I246-L250 WeakPolarHBondContact O-CG 3.42Å; I246-L250 PolarHBondContact O-N 3.32Å; I246-L263 HydrophobicContact CG2-CD1 3.83Å; I246-L263 HydrophobicContact CG2-CD2 4.15Å |
| 247 | H | 96.6 | Very high | 89.2 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | -178.2 | -174.7 | -141.5 | 0 | 0 | 0 | 111.8 | Y92 L243 K244 S249 L250 V251 Y261 L263 | Y92-H247 HydrophobicContact CE1-CB 4.28Å; Y92-H247 AromaticContact CE1-ND1 3.86Å; Y92-H247 AromaticContact CZ-ND1 3.71Å; Y92-H247 PolarHBondContact OH-ND1 3.44Å; L243-H247 WeakPolarHBondContact O-CB 3.48Å; L243-H247 PolarHBondContact O-N 3.03Å; K244-H247 PolarHBondContact O-N 3.4Å; H247-S249 VanDerWaalsContact C-N 3.32Å; H247-S249 PolarHBondContact O-N 3.32Å; H247-L250 PolarHBondContact O-N 3.28Å; H247-V251 WeakPolarHBondContact O-CG2 3.5Å; H247-V251 PolarHBondContact O-N 2.85Å; H247-Y261 AromaticContact CD2-CZ 4Å; H247-Y261 PolarHBondContact CD2-OH 2.87Å; H247-Y261 VanDerWaalsContact CD2-OH 3.26Å; H247-Y261 PolarHBondContact NE2-OH 3.5Å; H247-L263 HydrophobicContact CB-CD2 3.9Å |
| 248 | G | 94.9 | Very high | 87.9 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K244 I246 S252 | K244-G248 PolarHBondContact O-N 3.5Å; I246-G248 PolarHBondContact O-N 3.15Å; G248-S252 WeakPolarHBondContact O-CB 3.36Å; G248-S252 PolarHBondContact O-N 3.44Å |
| 249 | S | 93.6 | Very high | 86.8 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | K245 I246 H247 S252 K253 | K245-S249 PolarHBondContact O-N 3.06Å; I246-S249 PolarHBondContact O-N 3.17Å; H247-S249 VanDerWaalsContact C-N 3.32Å; H247-S249 PolarHBondContact O-N 3.32Å; S249-S252 PolarHBondContact O-N 3.01Å; S249-S252 PolarHBondContact O-OG 3.35Å; S249-K253 WeakPolarHBondContact O-CG 3.49Å; S249-K253 PolarHBondContact O-N 3.06Å |
| 250 | L | 92.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.3 | -70.4 | 172.1 | 0 | 0 | 0 | 111.3 | V69 W208 I246 H247 S252 K253 E254 Y261 L263 | V69-L250 HydrophobicContact CG2-CD1 3.99Å; V69-L250 HydrophobicContact CG2-CD2 4.32Å; W208-L250 HydrophobicContact CH2-CD2 4.23Å; I246-L250 HydrophobicContact CG2-CD1 3.85Å; I246-L250 HydrophobicContact CG2-CG 4.36Å; I246-L250 WeakPolarHBondContact O-CG 3.42Å; I246-L250 PolarHBondContact O-N 3.32Å; H247-L250 PolarHBondContact O-N 3.28Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 3.28Å; L250-K253 PolarHBondContact O-N 2.89Å; L250-E254 PolarHBondContact O-N 3.12Å; L250-Y261 HydrophobicContact CB-CD1 3.82Å; L250-Y261 HydrophobicContact CB-CD2 3.91Å; L250-Y261 HydrophobicContact CB-CE1 3.84Å; L250-Y261 HydrophobicContact CB-CE2 3.93Å; L250-Y261 HydrophobicContact CB-CG 3.85Å; L250-Y261 HydrophobicContact CD1-CD2 3.63Å; L250-Y261 HydrophobicContact CD1-CE2 4.02Å; L250-Y261 HydrophobicContact CD1-CG 4.1Å; L250-Y261 HydrophobicContact CD2-CG 4.34Å; L250-Y261 HydrophobicContact CG-CD2 4.28Å; L250-Y261 HydrophobicContact CG-CG 4.32Å; L250-L263 HydrophobicContact CD1-CB 4.11Å |
| 251 | V | 91 | Very high | 86.2 | Confident | 72 Ų | 72 | 57.7 Ų | 57.7 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 174 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | H247 K253 E254 Y261 | H247-V251 WeakPolarHBondContact O-CG2 3.5Å; H247-V251 PolarHBondContact O-N 2.85Å; V251-K253 PolarHBondContact O-N 2.86Å; V251-E254 WeakPolarHBondContact O-CB 3.48Å; V251-E254 PolarHBondContact O-N 3.42Å; V251-Y261 HydrophobicContact CG2-CE1 4.48Å; V251-Y261 WeakPolarHBondContact CG2-OH 3.45Å |
| 252 | S | 87.1 | Confident | 86.1 | Confident | 92 Ų | 92 | 53 Ų | 53 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.2 | -20.4 | -179 | 73 | 0 | 0 | 0 | 0 | 114.5 | G248 S249 L250 | G248-S252 WeakPolarHBondContact O-CB 3.36Å; G248-S252 PolarHBondContact O-N 3.44Å; S249-S252 PolarHBondContact O-N 3.01Å; S249-S252 PolarHBondContact O-OG 3.35Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 3.28Å |
| 253 | K | 81.5 | Confident | 86.1 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -1.6 | -178.3 | -73.7 | -171.9 | 164.9 | -151.9 | 0 | 113.4 | L203 K204 R205 D206 S249 L250 V251 A255 | L203-K253 WeakPolarHBondContact O-CE 3.32Å; L203-K253 PolarHBondContact O-NZ 3.42Å; K204-K253 PolarHBondContact O-NZ 3.45Å; R205-K253 PolarHBondContact O-NZ 3.19Å; D206-K253 IonicContact OD1-NZ 3.18Å; D206-K253 PolarHBondContact OD1-NZ 3.39Å; D206-K253 IonicContact OD2-NZ 3.66Å; S249-K253 WeakPolarHBondContact O-CG 3.49Å; S249-K253 PolarHBondContact O-N 3.06Å; L250-K253 PolarHBondContact O-N 2.89Å; V251-K253 PolarHBondContact O-N 2.86Å; K253-A255 PolarHBondContact O-N 2.94Å |
| 254 | E | 76.4 | Confident | 86.1 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | trans | -68.6 | 103.7 | 178.3 | -170.2 | 168.2 | -153 | 0 | 0 | 109.3 | L250 V251 P294 | L250-E254 PolarHBondContact O-N 3.12Å; V251-E254 WeakPolarHBondContact O-CB 3.48Å; V251-E254 PolarHBondContact O-N 3.42Å; E254-P294 WeakPolarHBondContact OE1-CB 3.48Å; E254-P294 WeakPolarHBondContact OE1-CG 3.36Å | ||
| 255 | A | 66.1 | Low | 86.2 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | trans | -89.8 | 137.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K253 G257 S258 | K253-A255 PolarHBondContact O-N 2.94Å; A255-G257 PolarHBondContact O-N 3.33Å; A255-S258 PolarHBondContact O-N 2.92Å; A255-S258 VanDerWaalsContact O-N 3.09Å; A255-S258 PolarHBondContact O-OG 2.73Å | ||
| 256 | E | 56.4 | Low | 86.2 | Confident | 207 Ų | 207 | 44.2 Ų | 44.2 | 97% | 0.967 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 124.8 | 173.3 | -77.7 | -178.4 | 169.5 | 0 | 0 | 110.7 | ||
| 257 | G | 56.6 | Low | 86.2 | Confident | 91 Ų | 91 | 44.3 Ų | 44.3 | 94% | 0.938 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -0.4 | 180 | 0 | 0 | 0 | 0 | 0 | 116.2 | A255 | A255-G257 PolarHBondContact O-N 3.33Š|
| 258 | S | 70.4 | Confident | 86.1 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -86.6 | 149.2 | 172.2 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | A255 | A255-S258 PolarHBondContact O-N 2.92Å; A255-S258 VanDerWaalsContact O-N 3.09Å; A255-S258 PolarHBondContact O-OG 2.73Å |
| 259 | L | 75.3 | Confident | 86.1 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 142.2 | 172.2 | -81 | 173.2 | 0 | 0 | 0 | 110.1 | P63 R66 | P63-L259 HydrophobicContact CB-CD1 4.24Å; P63-L259 WeakPolarHBondContact O-CD2 3.46Å; R66-L259 HydrophobicContact CB-CB 3.84Å; R66-L259 WeakPolarHBondContact CB-O 3.37Å |
| 260 | P | 90.3 | Very high | 86.1 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 160.8 | -173.2 | 27.3 | -34.6 | 0 | 0 | 0 | 112.5 | L64 F65 R66 P294 A295 | L64-P260 WeakPolarHBondContact O-CD 3.5Å; L64-P260 WeakPolarHBondContact O-CG 3.39Å; F65-P260 CarbonylContact C-O 3.55Å; F65-P260 WeakPolarHBondContact CA-O 3.16Å; F65-P260 HydrophobicContact CD1-CG 4.24Å; R66-P260 PolarHBondContact N-O 3.28Å; P260-P294 HydrophobicContact CB-CG 3.86Å; P260-A295 HydrophobicContact CB-CB 4.14Å; P260-A295 HydrophobicContact CG-CB 3.79Å |
| 261 | Y | 93.9 | Very high | 86 | Confident | 20 Ų | 20 | 40 Ų | 40 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 162 | 170.2 | 65 | -96.6 | 0 | 0 | 0 | 111.4 | R67 H247 L250 V251 S293 P294 | R67-Y261 CarbonylContact O-C 3.52Å; R67-Y261 WeakPolarHBondContact O-CA 3.47Å; H247-Y261 AromaticContact CD2-CZ 4Å; H247-Y261 PolarHBondContact CD2-OH 2.87Å; H247-Y261 VanDerWaalsContact CD2-OH 3.26Å; H247-Y261 PolarHBondContact NE2-OH 3.5Å; L250-Y261 HydrophobicContact CB-CD1 3.82Å; L250-Y261 HydrophobicContact CB-CD2 3.91Å; L250-Y261 HydrophobicContact CB-CE1 3.84Å; L250-Y261 HydrophobicContact CB-CE2 3.93Å; L250-Y261 HydrophobicContact CB-CG 3.85Å; L250-Y261 HydrophobicContact CD1-CD2 3.63Å; L250-Y261 HydrophobicContact CD1-CE2 4.02Å; L250-Y261 HydrophobicContact CD1-CG 4.1Å; L250-Y261 HydrophobicContact CD2-CG 4.34Å; L250-Y261 HydrophobicContact CG-CD2 4.28Å; L250-Y261 HydrophobicContact CG-CG 4.32Å; V251-Y261 HydrophobicContact CG2-CE1 4.48Å; V251-Y261 WeakPolarHBondContact CG2-OH 3.45Å; Y261-S293 VanDerWaalsContact O-CB 3.25Å; Y261-S293 WeakPolarHBondContact O-CB 3.42Å; Y261-S293 PolarHBondContact O-OG 3.1Å; Y261-P294 HydrophobicContact CD1-CG 4.2Å; Y261-P294 HydrophobicContact CE1-CG 3.87Å |
| 262 | L | 97 | Very high | 85.7 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.7 | 165.5 | 178.3 | 67.8 | 0 | 0 | 0 | 109.3 | F65 R67 V68 V69 V264 L291 F296 L317 | F65-L262 HydrophobicContact CB-CB 4.29Å; F65-L262 HydrophobicContact CD1-CB 3.74Å; F65-L262 HydrophobicContact CD2-CB 3.95Å; F65-L262 HydrophobicContact CD2-CD2 3.9Å; F65-L262 HydrophobicContact CD2-CG 4.48Å; F65-L262 HydrophobicContact CE1-CB 4.01Å; F65-L262 HydrophobicContact CE1-CD1 4.36Å; F65-L262 HydrophobicContact CE2-CB 4.22Å; F65-L262 HydrophobicContact CE2-CD1 4.5Å; F65-L262 HydrophobicContact CE2-CD2 3.73Å; F65-L262 HydrophobicContact CE2-CG 4.37Å; F65-L262 HydrophobicContact CG-CB 3.7Å; F65-L262 HydrophobicContact CZ-CB 4.24Å; F65-L262 HydrophobicContact CZ-CD1 4.15Å; F65-L262 HydrophobicContact CZ-CD2 4.21Å; F65-L262 HydrophobicContact CZ-CG 4.44Å; R67-L262 PolarHBondContact O-N 3.33Å; V68-L262 CarbonylContact C-O 3.41Å; V68-L262 VanDerWaalsContact CA-O 3.3Å; V68-L262 WeakPolarHBondContact CA-O 3.36Å; V68-L262 HydrophobicContact CG2-CB 4.24Å; V69-L262 PolarHBondContact N-O 2.93Å; L262-V264 HydrophobicContact CD1-CG2 4.49Å; L262-V264 HydrophobicContact CD2-CG2 3.78Å; L262-V264 HydrophobicContact CG-CG2 3.8Å; L262-L291 HydrophobicContact CD1-CB 4.21Å; L262-F296 HydrophobicContact CD1-CE2 3.88Å; L262-F296 HydrophobicContact CD1-CZ 3.85Å; L262-L317 HydrophobicContact CD2-CD2 3.66Å |
| 263 | L | 98.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.9 | 168.2 | 170.1 | 60.3 | 0 | 0 | 0 | 108.4 | V69 L243 I246 H247 L250 I292 | V69-L263 HydrophobicContact CB-CD1 3.83Å; V69-L263 HydrophobicContact CG1-CD1 3.92Å; L243-L263 HydrophobicContact CG-CD2 4.23Å; I246-L263 HydrophobicContact CG2-CD1 3.83Å; I246-L263 HydrophobicContact CG2-CD2 4.15Å; H247-L263 HydrophobicContact CB-CD2 3.9Å; L250-L263 HydrophobicContact CD1-CB 4.11Å; L263-I292 HydrophobicContact CB-CB 4.2Å; L263-I292 HydrophobicContact CD2-CD1 4Å; L263-I292 HydrophobicContact CG-CD1 4.19Å; L263-I292 PolarHBondContact N-O 2.87Å; L263-I292 PolarHBondContact O-N 2.84Å |
| 264 | V | 98.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | V69 L70 M71 L262 L289 L291 L313 L317 | V69-V264 PolarHBondContact O-N 2.99Å; L70-V264 HydrophobicContact CD1-CB 3.81Å; L70-V264 HydrophobicContact CD1-CG1 3.6Å; M71-V264 PolarHBondContact N-O 3.02Å; L262-V264 HydrophobicContact CD1-CG2 4.49Å; L262-V264 HydrophobicContact CD2-CG2 3.78Å; L262-V264 HydrophobicContact CG-CG2 3.8Å; V264-L289 HydrophobicContact CG1-CD1 3.86Å; V264-L291 HydrophobicContact CB-CD2 4.23Å; V264-L291 HydrophobicContact CG1-CD2 3.84Å; V264-L291 HydrophobicContact CG2-CD2 3.78Å; V264-L313 HydrophobicContact CG1-CD1 4.25Å; V264-L313 HydrophobicContact CG1-CD2 4.41Å; V264-L317 HydrophobicContact CG2-CD2 4.25Å |
| 265 | L | 98.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.8 | 164.3 | 173.5 | 70.5 | 0 | 0 | 0 | 108 | M71 V73 L76 M90 T93 L243 L289 V290 | M71-L265 HydrophobicContact CE-CD1 4.5Å; M71-L265 HydrophobicContact CG-CD1 4.17Å; M71-L265 WeakPolarHBondContact O-CA 3.36Å; M71-L265 HydrophobicContact SD-CD1 4.27Å; V73-L265 HydrophobicContact CG2-CD1 3.87Å; L76-L265 HydrophobicContact CD2-CD1 4.05Å; L76-L265 HydrophobicContact CD2-CD2 4.24Å; L76-L265 HydrophobicContact CD2-CG 4.06Å; M90-L265 HydrophobicContact CE-CD2 4.15Å; T93-L265 HydrophobicContact CG2-CD2 3.74Å; L243-L265 HydrophobicContact CD1-CB 3.81Å; L243-L265 HydrophobicContact CD1-CD1 4.16Å; L243-L265 HydrophobicContact CD1-CD2 3.66Å; L243-L265 HydrophobicContact CD1-CG 4.07Å; L265-L289 WeakPolarHBondContact O-CA 3.19Å; L265-V290 HydrophobicContact CB-CB 4.32Å; L265-V290 HydrophobicContact CD2-CG2 4.47Å; L265-V290 PolarHBondContact N-O 3.27Å; L265-V290 PolarHBondContact O-N 2.84Å |
| 266 | C | 98.1 | Very high | 85.1 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 156.5 | 173.3 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | M71 V72 V73 A288 L289 | M71-C266 PolarHBondContact O-N 2.75Å; V72-C266 VanDerWaalsContact CA-O 3.3Å; V72-C266 WeakPolarHBondContact CA-O 3.33Å; V73-C266 PolarHBondContact N-O 3.16Å; C266-A288 WeakPolarHBondContact CA-O 3.29Å; C266-L289 HydrophobicContact CB-CD1 3.77Å |
| 267 | G | 97.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -89.6 | 150.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V73 A288 | V73-G267 WeakPolarHBondContact O-CA 3.42Å; G267-A288 PolarHBondContact N-O 3.05Å; G267-A288 VanDerWaalsContact N-O 3.15Å | ||
| 268 | D | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -86.6 | -38.4 | 169.7 | 69.7 | -35 | 0 | 0 | 0 | 111.3 | V72 D74 A75 T115 R118 L122 Q310 | V72-D268 HydrophobicContact CG1-CB 4.07Å; D74-D268 WeakPolarHBondContact CA-OD1 3.21Å; A75-D268 PolarHBondContact N-OD1 3.33Å; T115-D268 WeakPolarHBondContact CA-OD2 3.36Å; T115-D268 WeakPolarHBondContact CG2-OD2 3.37Å; R118-D268 HydrophobicContact CB-CB 3.87Å; R118-D268 WeakPolarHBondContact CB-O 3.43Å; R118-D268 WeakPolarHBondContact CD-O 3.38Å; R118-D268 WeakPolarHBondContact CG-O 3.35Å; L122-D268 HydrophobicContact CD1-CB 4.19Å; D268-Q310 PolarHBondContact O-NE2 3.07Å |
| 269 | H | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -144.6 | 179.8 | 163.3 | 54 | 81.4 | 0 | 0 | 0 | 110.8 | D74 A75 L76 T113 T115 R118 D219 H277 T287 | D74-H269 IonicContact OD1-CE1 2.76Å; D74-H269 PolarHBondContact OD1-CE1 3.29Å; D74-H269 IonicContact OD1-ND1 3.58Å; D74-H269 IonicContact OD1-NE2 3.4Å; D74-H269 PolarHBondContact OD1-NE2 3.34Å; A75-H269 CarbonylContact C-O 3.43Å; A75-H269 VanDerWaalsContact C-O 3.25Å; A75-H269 WeakPolarHBondContact CA-O 3.45Å; L76-H269 PolarHBondContact N-O 2.89Å; T113-H269 HydrophobicContact CG2-CB 4.31Å; T115-H269 PolarHBondContact OG1-NE2 3.34Å; R118-H269 HydrophobicContact CG-CB 4.35Å; D219-H269 IonicContact OD1-CE1 2.78Å; H269-H277 AromaticContact CE1-CD2 3.52Å; H269-H277 AromaticContact CE1-CE1 3.5Å; H269-H277 PolarHBondContact CE1-CE1 3.38Å; H269-H277 VanDerWaalsContact CE1-CE1 3.5Å; H269-H277 AromaticContact CE1-CG 3.32Å; H269-H277 AromaticContact CE1-ND1 3.31Å; H269-H277 PolarHBondContact CE1-ND1 2.77Å; H269-H277 VanDerWaalsContact CE1-ND1 3.31Å; H269-H277 AromaticContact CE1-NE2 3.69Å; H269-H277 AromaticContact ND1-CG 3.64Å; H269-H277 AromaticContact ND1-ND1 3.81Å; H269-H277 AromaticContact NE2-CE1 3.42Å; H269-H277 PolarHBondContact NE2-CE1 2.96Å; H269-H277 AromaticContact NE2-CG 3.89Å; H269-H277 AromaticContact NE2-ND1 3.38Å; H269-H277 PolarHBondContact NE2-ND1 2.88Å; H269-H277 AromaticContact NE2-NE2 4Å; H269-T287 VanDerWaalsContact CA-CG2 3.49Å; H269-T287 WeakPolarHBondContact O-CG2 3.35Å | ||
| 270 | G | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -105 | -155.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P283 E284 | G270-P283 CarbonylContact C-O 3.57Å; G270-P283 VanDerWaalsContact CA-O 3.28Å; G270-P283 WeakPolarHBondContact CA-O 3.32Å; G270-E284 PolarHBondContact N-O 3.16Å | ||
| 271 | M | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -148 | 149.8 | 179.1 | 63.8 | 177.1 | 72.2 | 0 | 0 | 111.5 | A75 R77 L218 P227 S276 P283 | A75-M271 HydrophobicContact CB-CB 4.39Å; A75-M271 HydrophobicContact CB-CE 3.26Å; R77-M271 HydrophobicContact CG-CG 4.26Å; R77-M271 PolarHBondContact NH1-O 3.12Å; L218-M271 HydrophobicContact CG-CE 4.44Å; P227-M271 HydrophobicContact CB-CG 4.19Å; P227-M271 HydrophobicContact CB-SD 3.78Å; P227-M271 HydrophobicContact CG-SD 4.37Å; M271-S276 CarbonylContact C-O 3.5Å; M271-S276 WeakPolarHBondContact CA-O 3.26Å; M271-P283 PolarHBondContact N-O 3.33Å; M271-P283 VanDerWaalsContact N-O 3.15Å; M271-P283 VanDerWaalsContact O-CB 3.29Å; M271-P283 WeakPolarHBondContact O-CB 3.22Å | ||
| 272 | T | 84.8 | Confident | 87.6 | Confident | 23 Ų | 23 | 21.2 Ų | 21.2 | 14% | 0.141 | 12% | 0.122 | C | C | . | . | trans | -63.8 | 168.8 | 171.2 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | P227 T274 G275 S276 E284 | P227-T272 WeakPolarHBondContact CD-O 3.38Å; P227-T272 WeakPolarHBondContact CG-O 3.47Å; T272-T274 PolarHBondContact O-N 3.35Å; T272-T274 PolarHBondContact OG1-N 2.79Å; T272-T274 PolarHBondContact OG1-OG1 2.83Å; T272-G275 PolarHBondContact O-N 3.24Å; T272-G275 PolarHBondContact OG1-N 2.96Å; T272-S276 WeakPolarHBondContact CG2-O 3.44Å; T272-S276 PolarHBondContact N-O 3.21Å; T272-S276 WeakPolarHBondContact OG1-CA 3.44Å; T272-S276 WeakPolarHBondContact OG1-CB 3.36Å; T272-S276 PolarHBondContact OG1-N 3.32Å; T272-S276 PolarHBondContact OG1-O 3.39Å; T272-E284 VanDerWaalsContact CG2-CD 3.47Å; T272-E284 HydrophobicContact CG2-CG 3.66Å | ||
| 273 | E | 79.8 | Confident | 87.3 | Confident | 50 Ų | 50 | 23 Ų | 23 | 23% | 0.234 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.2 | 173.7 | -60.1 | -58.9 | 127.5 | 0 | 0 | 113.6 | R77 P227 H228 H663 | R77-E273 IonicContact CZ-OE1 2.66Å; R77-E273 IonicContact NH1-OE1 3.5Å; R77-E273 PolarHBondContact NH1-OE1 3.14Å; R77-E273 IonicContact NH2-OE1 3.91Å; R77-E273 PolarHBondContact NH2-OE1 3.48Å; R77-E273 VanDerWaalsContact NH2-OE1 3.16Å; P227-E273 WeakPolarHBondContact CD-O 3.35Å; H228-E273 IonicContact CD2-OE2 2.78Å; H228-E273 PolarHBondContact CD2-OE2 3.22Å; H228-E273 IonicContact CE1-OE2 3.71Å; H228-E273 IonicContact NE2-OE2 3.94Å; H228-E273 PolarHBondContact NE2-OE2 3.28Å; E273-H663 HydrophobicContact CB-CB 4.05Å; E273-H663 HydrophobicContact CG-CB 3.71Å |
| 274 | T | 68.6 | Low | 86.9 | Confident | 78 Ų | 78 | 23 Ų | 23 | 48% | 0.479 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.3 | 171.9 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | T272 A662 | T272-T274 PolarHBondContact O-N 3.35Å; T272-T274 PolarHBondContact OG1-N 2.79Å; T272-T274 PolarHBondContact OG1-OG1 2.83Å; T274-A662 WeakPolarHBondContact CG2-O 3.38Å |
| 275 | G | 73.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 76.2 | 26.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G222 H223 T272 | G222-G275 CarbonylContact C-O 3.41Å; G222-G275 VanDerWaalsContact O-CA 3.32Å; G222-G275 WeakPolarHBondContact O-CA 3.34Å; H223-G275 WeakPolarHBondContact CA-O 3.38Å; H223-G275 PolarHBondContact N-O 2.91Å; H223-G275 PolarHBondContact ND1-O 2.98Å; T272-G275 PolarHBondContact O-N 3.24Å; T272-G275 PolarHBondContact OG1-N 2.96Å |
| 276 | S | 77.4 | Confident | 86.6 | Confident | 25 Ų | 25 | 24.9 Ų | 24.9 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | trans | -99.8 | 163.8 | 174.1 | -153.3 | 0 | 0 | 0 | 0 | 110.1 | M271 T272 G847 | M271-S276 CarbonylContact C-O 3.5Å; M271-S276 WeakPolarHBondContact CA-O 3.26Å; T272-S276 WeakPolarHBondContact CG2-O 3.44Å; T272-S276 PolarHBondContact N-O 3.21Å; T272-S276 WeakPolarHBondContact OG1-CA 3.44Å; T272-S276 WeakPolarHBondContact OG1-CB 3.36Å; T272-S276 PolarHBondContact OG1-N 3.32Å; T272-S276 PolarHBondContact OG1-O 3.39Å; S276-G847 PolarHBondContact OG-O 2.87Å | ||
| 277 | H | 83.9 | Confident | 86.5 | Confident | 21 Ų | 21 | 24.8 Ų | 24.8 | 10% | 0.097 | 14% | 0.143 | C | C | . | . | trans | -152.4 | 176.7 | 171.9 | 63 | 89.7 | 0 | 0 | 0 | 110.3 | T113 D219 H223 H269 E284 G847 | T113-H277 PolarHBondContact O-ND1 3.21Å; D219-H277 IonicContact OD1-CD2 3.04Å; D219-H277 PolarHBondContact OD1-CD2 2.85Å; D219-H277 IonicContact OD1-NE2 3.37Å; H223-H277 AromaticContact CE1-CD2 3.29Å; H223-H277 PolarHBondContact CE1-CD2 3.06Å; H223-H277 AromaticContact CE1-NE2 3.24Å; H223-H277 PolarHBondContact CE1-NE2 3.33Å; H223-H277 AromaticContact NE2-CD2 3.68Å; H223-H277 AromaticContact NE2-NE2 3.16Å; H223-H277 PolarHBondContact NE2-NE2 2.92Å; H223-H277 VanDerWaalsContact NE2-NE2 3.16Å; H269-H277 AromaticContact CE1-CD2 3.52Å; H269-H277 AromaticContact CE1-CE1 3.5Å; H269-H277 PolarHBondContact CE1-CE1 3.38Å; H269-H277 VanDerWaalsContact CE1-CE1 3.5Å; H269-H277 AromaticContact CE1-CG 3.32Å; H269-H277 AromaticContact CE1-ND1 3.31Å; H269-H277 PolarHBondContact CE1-ND1 2.77Å; H269-H277 VanDerWaalsContact CE1-ND1 3.31Å; H269-H277 AromaticContact CE1-NE2 3.69Å; H269-H277 AromaticContact ND1-CG 3.64Å; H269-H277 AromaticContact ND1-ND1 3.81Å; H269-H277 AromaticContact NE2-CE1 3.42Å; H269-H277 PolarHBondContact NE2-CE1 2.96Å; H269-H277 AromaticContact NE2-CG 3.89Å; H269-H277 AromaticContact NE2-ND1 3.38Å; H269-H277 PolarHBondContact NE2-ND1 2.88Å; H269-H277 AromaticContact NE2-NE2 4Å; H277-E284 VanDerWaalsContact C-OE1 3.27Å; H277-E284 WeakPolarHBondContact CA-OE1 3.28Å; H277-G847 WeakPolarHBondContact O-CA 3.11Å | ||
| 278 | G | 77.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 112.9 | -12.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | T113 E284 I846 | T113-G278 WeakPolarHBondContact O-CA 3.27Å; T113-G278 PolarHBondContact O-N 2.98Å; T113-G278 VanDerWaalsContact O-N 3.1Å; T113-G278 VanDerWaalsContact OG1-C 3.23Å; T113-G278 WeakPolarHBondContact OG1-CA 3.3Å; T113-G278 PolarHBondContact OG1-N 2.97Å; G278-E284 PolarHBondContact N-OE1 3.15Å; G278-E284 VanDerWaalsContact N-OE1 3.11Å; G278-I846 VanDerWaalsContact O-CG2 3.31Å; G278-I846 WeakPolarHBondContact O-CG2 3.23Å |
| 279 | G | 77.6 | Confident | 86.7 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 7% | 0.072 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -92.5 | -146.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P111 T113 E284 | P111-G279 WeakPolarHBondContact CB-O 3.42Å; P111-G279 WeakPolarHBondContact CG-O 3.41Å; T113-G279 PolarHBondContact OG1-N 2.87Å; T113-G279 PolarHBondContact OG1-O 3.25Å; T113-G279 VanDerWaalsContact OG1-O 3.08Å; G279-E284 VanDerWaalsContact CA-OE1 3.3Å; G279-E284 WeakPolarHBondContact CA-OE1 3.32Å; G279-E284 PolarHBondContact N-OE1 3.41Å |
| 280 | S | 83.1 | Confident | 86.8 | Confident | 53 Ų | 53 | 24.9 Ų | 24.9 | 37% | 0.371 | 14% | 0.144 | S | C | . | . | trans | -137.4 | 17.7 | -174.1 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | E284 S933 | S280-E284 PolarHBondContact N-OE2 3.13Å; S280-S933 WeakPolarHBondContact OG-CB 3.25Å | ||
| 281 | S | 84 | Confident | 87 | Confident | 38 Ų | 38 | 25 Ų | 25 | 27% | 0.266 | 14% | 0.144 | S | C | . | . | trans | -67.5 | 153.4 | 175.9 | 70.8 | 0 | 0 | 0 | 0 | 110.4 | P283 E284 V285 | S281-P283 VanDerWaalsContact C-N 3.35Å; S281-E284 VanDerWaalsContact CB-OE2 3.22Å; S281-E284 WeakPolarHBondContact CB-OE2 3.38Å; S281-E284 PolarHBondContact N-OE2 3.18Å; S281-E284 WeakPolarHBondContact O-CB 3.39Å; S281-E284 PolarHBondContact O-N 3.27Å; S281-E284 VanDerWaalsContact OG-CD 3.29Å; S281-E284 VanDerWaalsContact OG-CG 3.24Å; S281-E284 WeakPolarHBondContact OG-CG 3.43Å; S281-E284 PolarHBondContact OG-OE2 3.05Å; S281-V285 WeakPolarHBondContact O-CG2 3.4Å; S281-V285 PolarHBondContact O-N 3.35Å | ||
| 282 | E | 89.4 | Confident | 87.4 | Confident | 144 Ų | 144 | 25.1 Ų | 25.1 | 67% | 0.673 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -55.3 | -43.8 | -178 | -173 | 178.5 | -171.4 | 0 | 0 | 112.7 | E284 V285 N286 | E282-E284 VanDerWaalsContact C-N 3.28Å; E282-E284 PolarHBondContact O-N 2.87Å; E282-V285 PolarHBondContact O-N 3.36Å; E282-N286 WeakPolarHBondContact CG-ND2 3.33Å; E282-N286 WeakPolarHBondContact O-CB 3.32Å; E282-N286 PolarHBondContact O-N 3.46Å; E282-N286 PolarHBondContact OE1-ND2 2.89Å |
| 283 | P | 90.3 | Very high | 87.9 | Confident | 38 Ų | 38 | 24 Ų | 24 | 25% | 0.247 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -23.3 | 175.3 | -23.2 | 36.3 | 0 | 0 | 0 | 115 | G270 M271 S281 | G270-P283 CarbonylContact C-O 3.57Å; G270-P283 VanDerWaalsContact CA-O 3.28Å; G270-P283 WeakPolarHBondContact CA-O 3.32Å; M271-P283 PolarHBondContact N-O 3.33Å; M271-P283 VanDerWaalsContact N-O 3.15Å; M271-P283 VanDerWaalsContact O-CB 3.29Å; M271-P283 WeakPolarHBondContact O-CB 3.22Å; S281-P283 VanDerWaalsContact C-N 3.35Å |
| 284 | E | 91.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -80.8 | -35.3 | 175 | -69.4 | 170.9 | 94.6 | 0 | 0 | 112.1 | T113 G270 T272 H277 G278 G279 S280 S281 E282 | T113-E284 HydrophobicContact CG2-CB 4.29Å; T113-E284 WeakPolarHBondContact CG2-O 3.4Å; G270-E284 PolarHBondContact N-O 3.16Å; T272-E284 VanDerWaalsContact CG2-CD 3.47Å; T272-E284 HydrophobicContact CG2-CG 3.66Å; H277-E284 VanDerWaalsContact C-OE1 3.27Å; H277-E284 WeakPolarHBondContact CA-OE1 3.28Å; G278-E284 PolarHBondContact N-OE1 3.15Å; G278-E284 VanDerWaalsContact N-OE1 3.11Å; G279-E284 VanDerWaalsContact CA-OE1 3.3Å; G279-E284 WeakPolarHBondContact CA-OE1 3.32Å; G279-E284 PolarHBondContact N-OE1 3.41Å; S280-E284 PolarHBondContact N-OE2 3.13Å; S281-E284 VanDerWaalsContact CB-OE2 3.22Å; S281-E284 WeakPolarHBondContact CB-OE2 3.38Å; S281-E284 PolarHBondContact N-OE2 3.18Å; S281-E284 WeakPolarHBondContact O-CB 3.39Å; S281-E284 PolarHBondContact O-N 3.27Å; S281-E284 VanDerWaalsContact OG-CD 3.29Å; S281-E284 VanDerWaalsContact OG-CG 3.24Å; S281-E284 WeakPolarHBondContact OG-CG 3.43Å; S281-E284 PolarHBondContact OG-OE2 3.05Å; E282-E284 VanDerWaalsContact C-N 3.28Å; E282-E284 PolarHBondContact O-N 2.87Å |
| 285 | V | 93.1 | Very high | 89.5 | Confident | 20 Ų | 20 | 22 Ų | 22 | 12% | 0.121 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -86.7 | -34.4 | -173.1 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | K108 A109 T113 S281 E282 T287 | K108-V285 WeakPolarHBondContact CA-O 3.09Å; K108-V285 HydrophobicContact CB-CG1 4.13Å; K108-V285 HydrophobicContact CG-CG1 4.48Å; A109-V285 PolarHBondContact N-O 2.82Å; A109-V285 WeakPolarHBondContact O-CG1 3.35Å; T113-V285 HydrophobicContact CG2-CG2 4.2Å; S281-V285 WeakPolarHBondContact O-CG2 3.4Å; S281-V285 PolarHBondContact O-N 3.35Å; E282-V285 PolarHBondContact O-N 3.36Å; V285-T287 PolarHBondContact O-N 2.87Å |
| 286 | N | 96.4 | Very high | 90.5 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 109.2 | -174.2 | -70.6 | -8.8 | 0 | 0 | 0 | 111.7 | E78 V106 E282 | E78-N286 HydrophobicContact CG-CB 3.88Å; E78-N286 PolarHBondContact N-O 2.82Å; E78-N286 VanDerWaalsContact N-O 3.17Å; V106-N286 HydrophobicContact CG1-CB 3.71Å; E282-N286 WeakPolarHBondContact CG-ND2 3.33Å; E282-N286 WeakPolarHBondContact O-CB 3.32Å; E282-N286 PolarHBondContact O-N 3.46Å; E282-N286 PolarHBondContact OE1-ND2 2.89Å |
| 287 | T | 97.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 155.1 | 179.7 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | L76 A107 A109 H269 V285 | L76-T287 WeakPolarHBondContact O-CA 3.31Å; A107-T287 PolarHBondContact N-O 3.35Å; A107-T287 PolarHBondContact O-N 2.82Å; A107-T287 PolarHBondContact O-OG1 3.39Å; A109-T287 HydrophobicContact CB-CG2 4.42Å; H269-T287 VanDerWaalsContact CA-CG2 3.49Å; H269-T287 WeakPolarHBondContact O-CG2 3.35Å; V285-T287 PolarHBondContact O-N 2.87Å |
| 288 | A | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L76 V81 F82 C266 G267 | L76-A288 HydrophobicContact CD2-CB 4.02Å; L76-A288 HydrophobicContact CG-CB 4.2Å; L76-A288 PolarHBondContact O-N 2.84Å; V81-A288 HydrophobicContact CB-CB 4.15Å; V81-A288 HydrophobicContact CG2-CB 3.71Å; F82-A288 HydrophobicContact CE2-CB 4.05Å; F82-A288 HydrophobicContact CZ-CB 4.3Å; C266-A288 WeakPolarHBondContact CA-O 3.29Å; G267-A288 PolarHBondContact N-O 3.05Å; G267-A288 VanDerWaalsContact N-O 3.15Å |
| 289 | L | 98 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 119.4 | 165.1 | 174.8 | 66.1 | 0 | 0 | 0 | 109.7 | S104 F105 A107 V264 L265 C266 L291 V308 L313 I334 | S104-L289 WeakPolarHBondContact CA-O 3.33Å; F105-L289 HydrophobicContact CB-CB 4.38Å; F105-L289 HydrophobicContact CB-CD2 4.39Å; F105-L289 HydrophobicContact CD2-CD2 4.16Å; F105-L289 HydrophobicContact CD2-CG 4.49Å; F105-L289 PolarHBondContact N-O 3.32Å; F105-L289 PolarHBondContact O-N 2.94Å; A107-L289 HydrophobicContact CB-CB 3.87Å; A107-L289 HydrophobicContact CB-CD2 4.38Å; V264-L289 HydrophobicContact CG1-CD1 3.86Å; L265-L289 WeakPolarHBondContact O-CA 3.19Å; C266-L289 HydrophobicContact CB-CD1 3.77Å; L289-L291 HydrophobicContact CD1-CD2 4Å; L289-L291 HydrophobicContact CG-CD2 4.44Å; L289-V308 HydrophobicContact CD2-CG2 3.78Å; L289-L313 HydrophobicContact CD1-CD1 4.35Å; L289-I334 HydrophobicContact CD2-CD1 4.03Å |
| 290 | V | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | 177.8 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | F82 T93 V97 H103 L265 I292 | F82-V290 HydrophobicContact CE1-CG2 4.06Å; F82-V290 HydrophobicContact CZ-CG2 3.95Å; T93-V290 HydrophobicContact CG2-CG2 4.45Å; V97-V290 HydrophobicContact CG2-CG1 3.94Å; V97-V290 HydrophobicContact CG2-CG2 4.09Å; H103-V290 WeakPolarHBondContact O-CA 3.37Å; L265-V290 HydrophobicContact CB-CB 4.32Å; L265-V290 HydrophobicContact CD2-CG2 4.47Å; L265-V290 PolarHBondContact N-O 3.27Å; L265-V290 PolarHBondContact O-N 2.84Å; V290-I292 HydrophobicContact CG1-CD1 4.24Å; V290-I292 HydrophobicContact CG1-CG1 3.97Å |
| 291 | L | 97.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119 | 177.9 | -55.9 | -178.8 | 0 | 0 | 0 | 108.7 | S102 H103 F105 L262 V264 L289 F296 L313 I334 V337 | S102-L291 CarbonylContact C-O 3.56Å; S102-L291 WeakPolarHBondContact CA-O 3.28Å; S102-L291 WeakPolarHBondContact CB-O 3.33Å; H103-L291 HydrophobicContact CB-CB 4.42Å; H103-L291 PolarHBondContact N-O 3.24Å; H103-L291 PolarHBondContact O-N 3.1Å; F105-L291 HydrophobicContact CE2-CD1 4.22Å; L262-L291 HydrophobicContact CD1-CB 4.21Å; V264-L291 HydrophobicContact CB-CD2 4.23Å; V264-L291 HydrophobicContact CG1-CD2 3.84Å; V264-L291 HydrophobicContact CG2-CD2 3.78Å; L289-L291 HydrophobicContact CD1-CD2 4Å; L289-L291 HydrophobicContact CG-CD2 4.44Å; L291-F296 HydrophobicContact CB-CE2 3.91Å; L291-F296 HydrophobicContact CB-CZ 4.44Å; L291-L313 HydrophobicContact CD2-CD1 4.47Å; L291-I334 HydrophobicContact CD1-CD1 4.43Å; L291-V337 HydrophobicContact CD1-CG2 3.5Å |
| 292 | I | 97.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.6 | -175.2 | -58.3 | 153.3 | 0 | 0 | 0 | 108.9 | L96 L243 L263 V290 | L96-I292 HydrophobicContact CD1-CD1 3.63Å; L96-I292 HydrophobicContact CD1-CG1 4.25Å; L96-I292 HydrophobicContact CD1-CG2 4.41Å; L243-I292 HydrophobicContact CD1-CD1 4.41Å; L243-I292 HydrophobicContact CD2-CD1 4.24Å; L263-I292 HydrophobicContact CB-CB 4.2Å; L263-I292 HydrophobicContact CD2-CD1 4Å; L263-I292 HydrophobicContact CG-CD1 4.19Å; L263-I292 PolarHBondContact N-O 2.87Å; L263-I292 PolarHBondContact O-N 2.84Å; V290-I292 HydrophobicContact CG1-CD1 4.24Å; V290-I292 HydrophobicContact CG1-CG1 3.97Å |
| 293 | S | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -159.8 | 143.6 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 111 | S101 Y261 A295 F296 | S101-S293 WeakPolarHBondContact CB-O 3.47Å; S101-S293 PolarHBondContact O-N 3.39Å; S101-S293 VanDerWaalsContact O-N 3.14Å; Y261-S293 VanDerWaalsContact O-CB 3.25Å; Y261-S293 WeakPolarHBondContact O-CB 3.42Å; Y261-S293 PolarHBondContact O-OG 3.1Å; S293-A295 PolarHBondContact O-N 2.95Å; S293-A295 WeakPolarHBondContact OG-CB 3.49Å; S293-A295 PolarHBondContact OG-N 3.43Å; S293-F296 VanDerWaalsContact CB-CE2 3.43Å; S293-F296 PolarHBondContact O-N 2.85Å; S293-F296 VanDerWaalsContact O-N 3.12Å | ||
| 294 | P | 92.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.2 | 169.5 | 26.7 | -33.9 | 0 | 0 | 0 | 112.7 | E254 P260 Y261 F296 | E254-P294 WeakPolarHBondContact OE1-CB 3.48Å; E254-P294 WeakPolarHBondContact OE1-CG 3.36Å; P260-P294 HydrophobicContact CB-CG 3.86Å; Y261-P294 HydrophobicContact CD1-CG 4.2Å; Y261-P294 HydrophobicContact CE1-CG 3.87Å; P294-F296 PolarHBondContact O-N 3.04Å |
| 295 | A | 90.5 | Very high | 90.5 | Very high | 35 Ų | 35 | 51 Ų | 51 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F65 P260 S293 | F65-A295 HydrophobicContact CE1-CB 4.26Å; P260-A295 HydrophobicContact CB-CB 4.14Å; P260-A295 HydrophobicContact CG-CB 3.79Å; S293-A295 PolarHBondContact O-N 2.95Å; S293-A295 WeakPolarHBondContact OG-CB 3.49Å; S293-A295 PolarHBondContact OG-N 3.43Å |
| 296 | F | 93 | Very high | 90.5 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -97.4 | 151 | -176.2 | -53.6 | -34.2 | 0 | 0 | 0 | 111.8 | F65 S101 H103 L262 L291 S293 P294 V337 | F65-F296 HydrophobicContact CE1-CZ 4.42Å; F65-F296 HydrophobicContact CZ-CE1 4.17Å; F65-F296 HydrophobicContact CZ-CZ 4.01Å; S101-F296 WeakPolarHBondContact CB-O 3.35Å; S101-F296 PolarHBondContact OG-O 2.89Å; H103-F296 AromaticContact CD2-CD1 3.71Å; H103-F296 AromaticContact CD2-CD2 3.72Å; H103-F296 AromaticContact CD2-CG 3.56Å; H103-F296 AromaticContact NE2-CD1 3.75Å; H103-F296 AromaticContact NE2-CG 3.77Å; L262-F296 HydrophobicContact CD1-CE2 3.88Å; L262-F296 HydrophobicContact CD1-CZ 3.85Å; L291-F296 HydrophobicContact CB-CE2 3.91Å; L291-F296 HydrophobicContact CB-CZ 4.44Å; S293-F296 VanDerWaalsContact CB-CE2 3.43Å; S293-F296 PolarHBondContact O-N 2.85Å; S293-F296 VanDerWaalsContact O-N 3.12Å; P294-F296 PolarHBondContact O-N 3.04Å; F296-V337 HydrophobicContact CE1-CG1 4.42Å; F296-V337 HydrophobicContact CZ-CG2 4.41Å |
| 297 | K | 90.4 | Very high | 90.4 | Very high | 153 Ų | 153 | 56.5 Ų | 56.5 | 67% | 0.665 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 138.1 | 173.7 | -168.7 | 175.2 | 179.7 | -178.3 | 0 | 110.6 | K299 | K297-K299 PolarHBondContact O-N 3.37Š|
| 298 | R | 88.8 | Confident | 90.3 | Very high | 163 Ų | 163 | 57 Ų | 57 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | B | Isolated β-bridge | trans | -69.5 | 130.7 | 175.1 | -166.8 | 177 | -177.7 | 174.4 | 2.6 | 110.5 | K99 | K99-R298 WeakPolarHBondContact O-CG 3.48Å; K99-R298 PolarHBondContact O-NE 3.14Å |
| 299 | K | 84.9 | Confident | 90.3 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 153.5 | 178.5 | -74.6 | -179.6 | 165.7 | 176 | 0 | 112.9 | V97 G100 S102 S104 K297 E303 | V97-K299 WeakPolarHBondContact O-CD 3.3Å; G100-K299 PolarHBondContact O-N 2.81Å; S102-K299 WeakPolarHBondContact O-CE 3.25Å; S102-K299 PolarHBondContact O-NZ 3.18Å; S104-K299 PolarHBondContact OG-NZ 3.25Å; K297-K299 PolarHBondContact O-N 3.37Å; K299-E303 WeakPolarHBondContact CE-OE2 3.38Å |
| 300 | A | 78.8 | Confident | 90.1 | Very high | 110 Ų | 110 | 59.2 Ų | 59.2 | 91% | 0.909 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -118.7 | 40.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 301 | G | 79 | Confident | 90 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 139.4 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E98 E303 | E98-G301 CarbonylContact O-C 3.53Å; E98-G301 WeakPolarHBondContact O-CA 3.34Å; E98-G301 PolarHBondContact O-N 3.37Å; G301-E303 PolarHBondContact O-N 3.31Å |
| 302 | M | 77.9 | Confident | 89.9 | Confident | 69 Ų | 69 | 59.7 Ų | 59.7 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | trans | -72.5 | 107.4 | 174 | -168.6 | 75.8 | -175 | 0 | 0 | 109.6 | F82 R94 V97 E98 | F82-M302 HydrophobicContact CB-CE 4.34Å; F82-M302 HydrophobicContact CD1-CE 4.16Å; R94-M302 PolarHBondContact NH2-SD 3.43Å; V97-M302 HydrophobicContact CG1-CE 3.95Å; V97-M302 HydrophobicContact CG1-SD 3.78Å; E98-M302 HydrophobicContact CG-CB 4.04Å; E98-M302 HydrophobicContact CG-CG 4.49Å; E98-M302 HydrophobicContact CG-SD 3.67Å | ||
| 303 | E | 81.4 | Confident | 89.9 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 55% | 0.547 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 146 | 166.8 | -68.6 | 174.7 | 172.3 | 0 | 0 | 109.5 | K299 G301 P305 | K299-E303 WeakPolarHBondContact CE-OE2 3.38Å; G301-E303 PolarHBondContact O-N 3.31Å; E303-P305 WeakPolarHBondContact O-CD 3.37Å |
| 304 | R | 84.4 | Confident | 90 | Very high | 236 Ų | 236 | 59.7 Ų | 59.7 | 89% | 0.891 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 123.7 | 171.8 | -173.3 | 174.8 | -179.4 | 174.3 | 0.3 | 108.1 | G306 | R304-G306 PolarHBondContact O-N 2.98Š|
| 305 | P | 89.2 | Confident | 90.2 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 136.6 | 178.6 | -21.9 | 31.6 | 0 | 0 | 0 | 110.6 | F82 V106 E303 | F82-P305 HydrophobicContact CB-CG 4.1Å; F82-P305 HydrophobicContact CD1-CG 3.85Å; F82-P305 HydrophobicContact CD2-CB 4.32Å; F82-P305 HydrophobicContact CD2-CG 3.8Å; F82-P305 HydrophobicContact CE1-CG 4.21Å; F82-P305 HydrophobicContact CE2-CB 4.28Å; F82-P305 HydrophobicContact CE2-CG 4.15Å; F82-P305 HydrophobicContact CG-CG 3.64Å; F82-P305 HydrophobicContact CZ-CG 4.35Å; V106-P305 HydrophobicContact CG2-CB 4.3Å; E303-P305 WeakPolarHBondContact O-CD 3.37Å |
| 306 | G | 92.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 169.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S104 F105 V106 R304 | S104-G306 PolarHBondContact O-N 2.7Å; F105-G306 CarbonylContact C-O 3.59Å; F105-G306 WeakPolarHBondContact CA-O 3.49Å; F105-G306 WeakPolarHBondContact CB-O 3.47Å; V106-G306 PolarHBondContact N-O 2.72Å; R304-G306 PolarHBondContact O-N 2.98Å |
| 307 | E | 95.3 | Very high | 90.7 | Very high | 120 Ų | 120 | 55.8 Ų | 55.8 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.3 | 174.2 | -64 | -174.5 | 170.8 | 0 | 0 | 110.8 | V106 K108 | V106-E307 WeakPolarHBondContact O-CA 3.32Å; K108-E307 WeakPolarHBondContact CE-OE2 3.34Å; K108-E307 VanDerWaalsContact NZ-CD 3.32Å; K108-E307 IonicContact NZ-OE1 3.2Å; K108-E307 IonicContact NZ-OE2 2.79Å; K108-E307 PolarHBondContact NZ-OE2 3.46Å |
| 308 | V | 96 | Very high | 91 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 159.1 | 172.4 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | F105 V106 A107 K108 L289 I334 | F105-V308 HydrophobicContact CB-CG1 4.12Å; F105-V308 HydrophobicContact CB-CG2 3.75Å; F105-V308 HydrophobicContact CD1-CG1 3.61Å; F105-V308 HydrophobicContact CD2-CG1 4.48Å; F105-V308 HydrophobicContact CE1-CG1 4.13Å; F105-V308 HydrophobicContact CG-CG1 3.82Å; F105-V308 HydrophobicContact CG-CG2 4.21Å; V106-V308 PolarHBondContact O-N 2.75Å; A107-V308 WeakPolarHBondContact CA-O 3.48Å; A107-V308 HydrophobicContact CB-CG2 4.08Å; K108-V308 PolarHBondContact N-O 3.17Å; L289-V308 HydrophobicContact CD2-CG2 3.78Å; V308-I334 HydrophobicContact CG1-CG1 4.36Å |
| 309 | E | 95.2 | Very high | 91.3 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 20% | 0.201 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 143.3 | 169.8 | -60.6 | -74.5 | 125.9 | 0 | 0 | 108.7 | R110 V311 D312 | R110-E309 IonicContact CZ-OE2 3.38Å; R110-E309 IonicContact NE-OE2 3.36Å; R110-E309 PolarHBondContact NE-OE2 2.82Å; R110-E309 IonicContact NH2-OE2 2.94Å; R110-E309 PolarHBondContact NH2-OE2 3.21Å; E309-V311 HydrophobicContact CB-CG2 3.77Å; E309-V311 PolarHBondContact O-N 2.91Å; E309-V311 VanDerWaalsContact O-N 3.12Å; E309-D312 PolarHBondContact N-OD2 3.34Å; E309-D312 WeakPolarHBondContact O-CB 3.29Å; E309-D312 PolarHBondContact O-N 2.96Å |
| 310 | Q | 94.7 | Very high | 91.7 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -56.6 | -32.7 | 178.9 | -176.3 | -179.7 | 60.3 | 0 | 0 | 112.9 | K108 R118 L122 D268 D312 L313 | K108-Q310 WeakPolarHBondContact O-CB 3.03Å; K108-Q310 PolarHBondContact O-N 3.5Å; K108-Q310 VanDerWaalsContact O-N 3.08Å; R118-Q310 VanDerWaalsContact NH1-OE1 3.12Å; L122-Q310 HydrophobicContact CD2-CG 3.42Å; L122-Q310 VanDerWaalsContact CD2-CG 3.42Å; L122-Q310 HydrophobicContact CG-CG 3.89Å; D268-Q310 PolarHBondContact O-NE2 3.07Å; Q310-D312 PolarHBondContact O-N 2.82Å; Q310-L313 PolarHBondContact O-N 3.35Å |
| 311 | V | 94.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -65.7 | -17.2 | 177.7 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | A121 G125 S126 I127 E309 L313 P315 V330 | A121-V311 HydrophobicContact CB-CG1 4.25Å; G125-V311 WeakPolarHBondContact CA-O 3.44Å; S126-V311 WeakPolarHBondContact O-CG1 3.12Å; I127-V311 HydrophobicContact CG1-CG1 4.23Å; E309-V311 HydrophobicContact CB-CG2 3.77Å; E309-V311 PolarHBondContact O-N 2.91Å; E309-V311 VanDerWaalsContact O-N 3.12Å; V311-L313 PolarHBondContact O-N 3.4Å; V311-P315 WeakPolarHBondContact O-CD 3.44Å; V311-V330 HydrophobicContact CG2-CG2 4.3Å |
| 312 | D | 97.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -70.2 | -18.6 | 178.7 | -66.9 | -15.8 | 0 | 0 | 0 | 112 | E309 Q310 P315 T316 G331 R332 I334 | E309-D312 PolarHBondContact N-OD2 3.34Å; E309-D312 WeakPolarHBondContact O-CB 3.29Å; E309-D312 PolarHBondContact O-N 2.96Å; Q310-D312 PolarHBondContact O-N 2.82Å; D312-P315 WeakPolarHBondContact O-CD 3.27Å; D312-P315 WeakPolarHBondContact O-CG 3.19Å; D312-T316 WeakPolarHBondContact O-CB 3.5Å; D312-T316 PolarHBondContact O-N 3.32Å; D312-T316 PolarHBondContact O-OG1 3.3Å; D312-G331 WeakPolarHBondContact OD1-CA 3.34Å; D312-R332 WeakPolarHBondContact CA-O 3.44Å; D312-R332 WeakPolarHBondContact CB-O 3.45Å; D312-R332 VanDerWaalsContact OD1-CG 3.25Å; D312-R332 WeakPolarHBondContact OD1-CG 3.37Å; D312-R332 PolarHBondContact OD1-N 2.82Å; D312-R332 IonicContact OD2-NE 3.54Å; D312-R332 PolarHBondContact OD2-NE 3.16Å; D312-I334 HydrophobicContact CB-CG1 4.06Å |
| 313 | L | 96.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 179.1 | -171.2 | 64.7 | 0 | 0 | 0 | 112.3 | L70 L122 V264 L289 L291 Q310 V311 T316 L317 | L70-L313 HydrophobicContact CD1-CD2 4.26Å; L122-L313 HydrophobicContact CD2-CD2 3.71Å; V264-L313 HydrophobicContact CG1-CD1 4.25Å; V264-L313 HydrophobicContact CG1-CD2 4.41Å; L289-L313 HydrophobicContact CD1-CD1 4.35Å; L291-L313 HydrophobicContact CD2-CD1 4.47Å; Q310-L313 PolarHBondContact O-N 3.35Å; V311-L313 PolarHBondContact O-N 3.4Å; L313-T316 PolarHBondContact O-N 3.07Å; L313-L317 HydrophobicContact CD1-CD1 4.1Å; L313-L317 HydrophobicContact CD1-CD2 4.47Å; L313-L317 HydrophobicContact CD1-CG 4.02Å; L313-L317 HydrophobicContact CD2-CD1 4.26Å; L313-L317 HydrophobicContact CG-CD1 3.82Å; L313-L317 HydrophobicContact CG-CG 4.11Å; L313-L317 WeakPolarHBondContact O-CB 3.18Å; L313-L317 WeakPolarHBondContact O-CG 3.36Å; L313-L317 PolarHBondContact O-N 3.12Å |
| 314 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.8 | -53.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G125 T316 L317 A318 | G125-A314 VanDerWaalsContact N-CB 3.32Å; A314-T316 VanDerWaalsContact C-N 3.29Å; A314-T316 PolarHBondContact O-N 2.72Å; A314-L317 PolarHBondContact O-N 3.23Å; A314-A318 VanDerWaalsContact O-CB 3.32Å; A314-A318 WeakPolarHBondContact O-CB 3.49Å; A314-A318 PolarHBondContact O-N 2.92Å |
| 315 | P | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -32.4 | 177.3 | 26.6 | -34.4 | 0 | 0 | 0 | 112.1 | V311 D312 L319 V325 V333 | V311-P315 WeakPolarHBondContact O-CD 3.44Å; D312-P315 WeakPolarHBondContact O-CD 3.27Å; D312-P315 WeakPolarHBondContact O-CG 3.19Å; P315-L319 WeakPolarHBondContact O-CG 3.22Å; P315-L319 PolarHBondContact O-N 3.49Å; P315-V325 HydrophobicContact CB-CG1 3.8Å; P315-V325 HydrophobicContact CB-CG2 4.24Å; P315-V333 HydrophobicContact CB-CG2 4.33Å |
| 316 | T | 97.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.9 | -48.2 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | D312 L313 A314 G320 V333 I334 V337 | D312-T316 WeakPolarHBondContact O-CB 3.5Å; D312-T316 PolarHBondContact O-N 3.32Å; D312-T316 PolarHBondContact O-OG1 3.3Å; L313-T316 PolarHBondContact O-N 3.07Å; A314-T316 VanDerWaalsContact C-N 3.29Å; A314-T316 PolarHBondContact O-N 2.72Å; T316-G320 PolarHBondContact O-N 3.47Å; T316-V333 WeakPolarHBondContact OG1-CA 3.46Å; T316-I334 HydrophobicContact CG2-CB 4.18Å; T316-I334 HydrophobicContact CG2-CD1 4.49Å; T316-I334 HydrophobicContact CG2-CG1 4.48Å; T316-I334 WeakPolarHBondContact OG1-CG1 2.8Å; T316-I334 PolarHBondContact OG1-N 3.35Å; T316-V337 HydrophobicContact CG2-CB 4.1Å; T316-V337 HydrophobicContact CG2-CG1 4.15Å; T316-V337 HydrophobicContact CG2-CG2 3.75Å |
| 317 | L | 97.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | 177.5 | -68.5 | -178.3 | 0 | 0 | 0 | 112.3 | V68 L147 L262 V264 L313 A314 G320 L321 | V68-L317 HydrophobicContact CG1-CD2 4.19Å; L147-L317 HydrophobicContact CD1-CB 4.16Å; L147-L317 HydrophobicContact CD2-CB 3.67Å; L147-L317 HydrophobicContact CD2-CD1 3.71Å; L147-L317 HydrophobicContact CD2-CG 4.35Å; L262-L317 HydrophobicContact CD2-CD2 3.66Å; V264-L317 HydrophobicContact CG2-CD2 4.25Å; L313-L317 HydrophobicContact CD1-CD1 4.1Å; L313-L317 HydrophobicContact CD1-CD2 4.47Å; L313-L317 HydrophobicContact CD1-CG 4.02Å; L313-L317 HydrophobicContact CD2-CD1 4.26Å; L313-L317 HydrophobicContact CG-CD1 3.82Å; L313-L317 HydrophobicContact CG-CG 4.11Å; L313-L317 WeakPolarHBondContact O-CB 3.18Å; L313-L317 WeakPolarHBondContact O-CG 3.36Å; L313-L317 PolarHBondContact O-N 3.12Å; A314-L317 PolarHBondContact O-N 3.23Å; L317-G320 PolarHBondContact O-N 2.95Å; L317-L321 WeakPolarHBondContact O-CB 3.5Å; L317-L321 WeakPolarHBondContact O-CG 3.41Å; L317-L321 PolarHBondContact O-N 3.24Å |
| 318 | A | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.6 | -55.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L147 A314 G320 L321 G322 L323 V325 | L147-A318 HydrophobicContact CD1-CB 4Å; A314-A318 VanDerWaalsContact O-CB 3.32Å; A314-A318 WeakPolarHBondContact O-CB 3.49Å; A314-A318 PolarHBondContact O-N 2.92Å; A318-G320 PolarHBondContact O-N 2.81Å; A318-L321 PolarHBondContact O-N 2.91Å; A318-G322 PolarHBondContact O-N 3.09Å; A318-L323 CarbonylContact C-O 3.47Å; A318-L323 HydrophobicContact CB-CB 4.37Å; A318-L323 WeakPolarHBondContact O-CA 3.25Å; A318-L323 WeakPolarHBondContact O-CB 3.49Å; A318-L323 PolarHBondContact O-N 2.88Å; A318-V325 HydrophobicContact CB-CG2 4.46Å |
| 319 | L | 94.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 9 Ų | 9 | 5% | 0.047 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 178 | -67.6 | -174.7 | 0 | 0 | 0 | 112.5 | P315 L321 G322 V325 V333 F349 L352 N353 | P315-L319 WeakPolarHBondContact O-CG 3.22Å; P315-L319 PolarHBondContact O-N 3.49Å; L319-L321 PolarHBondContact O-N 3.13Å; L319-G322 PolarHBondContact O-N 3.16Å; L319-G322 VanDerWaalsContact O-N 3.09Å; L319-V325 HydrophobicContact CD1-CG2 4.39Å; L319-V325 HydrophobicContact CD2-CG2 3.82Å; L319-V325 HydrophobicContact CG-CG2 3.85Å; L319-V333 HydrophobicContact CD1-CG2 3.39Å; L319-V333 HydrophobicContact CG-CG2 4.4Å; L319-F349 HydrophobicContact CB-CD1 3.75Å; L319-F349 HydrophobicContact CB-CE1 4.01Å; L319-F349 HydrophobicContact CD1-CB 4.17Å; L319-F349 HydrophobicContact CD1-CD1 3.94Å; L319-F349 WeakPolarHBondContact CD1-O 3.34Å; L319-F349 HydrophobicContact CD2-CD1 4.35Å; L319-F349 HydrophobicContact CG-CD1 4.24Å; L319-L352 HydrophobicContact CD2-CB 4.16Å; L319-L352 HydrophobicContact CD2-CD1 4.14Å; L319-N353 HydrophobicContact CD1-CB 4.27Å |
| 320 | G | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.1 | -31.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L64 F65 T316 L317 A318 | L64-G320 PolarHBondContact N-O 2.79Å; F65-G320 PolarHBondContact N-O 3.17Å; F65-G320 VanDerWaalsContact N-O 3.11Å; T316-G320 PolarHBondContact O-N 3.47Å; L317-G320 PolarHBondContact O-N 2.95Å; A318-G320 PolarHBondContact O-N 2.81Å |
| 321 | L | 94 | Very high | 94.2 | Very high | 5 Ų | 5 | 6.8 Ų | 6.8 | 3% | 0.026 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.1 | 177.4 | -73.7 | 169.1 | 0 | 0 | 0 | 113.9 | V68 V210 L317 A318 L319 L323 | V68-L321 HydrophobicContact CB-CD2 4.48Å; V68-L321 HydrophobicContact CG2-CD1 4.21Å; V68-L321 HydrophobicContact CG2-CD2 3.59Å; V68-L321 HydrophobicContact CG2-CG 3.96Å; V210-L321 HydrophobicContact CG2-CD1 4.11Å; L317-L321 WeakPolarHBondContact O-CB 3.5Å; L317-L321 WeakPolarHBondContact O-CG 3.41Å; L317-L321 PolarHBondContact O-N 3.24Å; A318-L321 PolarHBondContact O-N 2.91Å; L319-L321 PolarHBondContact O-N 3.13Å; L321-L323 HydrophobicContact CB-CD1 3.79Å; L321-L323 HydrophobicContact CB-CG 3.79Å; L321-L323 HydrophobicContact CD1-CD1 4.04Å |
| 322 | G | 92.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 10.6 Ų | 10.6 | 33% | 0.33 | 6% | 0.058 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 31.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A318 L319 | A318-G322 PolarHBondContact O-N 3.09Å; L319-G322 PolarHBondContact O-N 3.16Å; L319-G322 VanDerWaalsContact O-N 3.09Å |
| 323 | L | 93.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 10.7 Ų | 10.7 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | P | Polyproline II helix | trans | -103.1 | 154.6 | 179.7 | -53.3 | 174 | 0 | 0 | 0 | 110.7 | L147 Q150 A151 A154 A318 L321 | L147-L323 HydrophobicContact CD1-CD1 3.98Å; Q150-L323 HydrophobicContact CB-CB 4.39Å; Q150-L323 HydrophobicContact CB-CD1 4.46Å; A151-L323 HydrophobicContact CB-CD1 3.81Å; A154-L323 HydrophobicContact CB-CD2 3.34Å; A318-L323 CarbonylContact C-O 3.47Å; A318-L323 HydrophobicContact CB-CB 4.37Å; A318-L323 WeakPolarHBondContact O-CA 3.25Å; A318-L323 WeakPolarHBondContact O-CB 3.49Å; A318-L323 PolarHBondContact O-N 2.88Å; L321-L323 HydrophobicContact CB-CD1 3.79Å; L321-L323 HydrophobicContact CB-CG 3.79Å; L321-L323 HydrophobicContact CD1-CD1 4.04Å |
| 324 | P | 93.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 10.5 Ų | 10.5 | 5% | 0.052 | 6% | 0.057 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 140.5 | 166.7 | -19.5 | 32 | 0 | 0 | 0 | 111.3 | L42 | L42-P324 HydrophobicContact CB-CG 4.35Å; L42-P324 HydrophobicContact CD1-CG 4.07Å |
| 325 | V | 94.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 13.5 Ų | 13.5 | 4% | 0.036 | 8% | 0.076 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 132.6 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | S40 P315 A318 L319 Q327 Q356 | S40-V325 WeakPolarHBondContact CB-O 3.5Å; S40-V325 PolarHBondContact OG-O 2.93Å; P315-V325 HydrophobicContact CB-CG1 3.8Å; P315-V325 HydrophobicContact CB-CG2 4.24Å; A318-V325 HydrophobicContact CB-CG2 4.46Å; L319-V325 HydrophobicContact CD1-CG2 4.39Å; L319-V325 HydrophobicContact CD2-CG2 3.82Å; L319-V325 HydrophobicContact CG-CG2 3.85Å; V325-Q327 PolarHBondContact O-N 3.4Å; V325-Q356 HydrophobicContact CB-CB 4.35Å; V325-Q356 HydrophobicContact CB-CG 4.08Å; V325-Q356 HydrophobicContact CG1-CB 4.5Å; V325-Q356 HydrophobicContact CG1-CG 3.93Å |
| 326 | P | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -52.3 | 135.5 | 177.8 | -27.6 | 34.9 | 0 | 0 | 0 | 111.8 | N328 S329 Q356 | P326-N328 PolarHBondContact O-N 3.29Å; P326-N328 VanDerWaalsContact O-N 3.14Å; P326-S329 VanDerWaalsContact O-CB 3.25Å; P326-S329 WeakPolarHBondContact O-CB 3.17Å; P326-S329 PolarHBondContact O-N 3.42Å; P326-Q356 PolarHBondContact O-NE2 3.46Å |
| 327 | Q | 88.9 | Confident | 93.5 | Very high | 31 Ų | 31 | 13.9 Ų | 13.9 | 15% | 0.145 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -38.8 | -170.4 | -177.2 | 170.6 | 2.8 | 0 | 0 | 113.6 | S38 S40 D145 V325 S329 Q356 | S38-Q327 PolarHBondContact O-OE1 2.94Å; S38-Q327 PolarHBondContact OG-NE2 2.92Å; S38-Q327 PolarHBondContact OG-OE1 3.45Å; S40-Q327 WeakPolarHBondContact OG-CA 3.5Å; S40-Q327 PolarHBondContact OG-N 3.42Å; D145-Q327 HydrophobicContact CB-CB 4.36Å; D145-Q327 PolarHBondContact OD2-N 3.21Å; V325-Q327 PolarHBondContact O-N 3.4Å; Q327-S329 VanDerWaalsContact C-N 3.34Å; Q327-Q356 PolarHBondContact O-NE2 2.89Å |
| 328 | N | 86.5 | Confident | 93.2 | Very high | 16 Ų | 16 | 13.9 Ų | 13.9 | 9% | 0.086 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.7 | -178.1 | -71.3 | -29.6 | 0 | 0 | 0 | 114.5 | S34 P326 V330 | S34-N328 WeakPolarHBondContact CB-OD1 3.43Å; S34-N328 PolarHBondContact OG-ND2 2.59Å; S34-N328 PolarHBondContact OG-OD1 3.4Å; P326-N328 PolarHBondContact O-N 3.29Å; P326-N328 VanDerWaalsContact O-N 3.14Å; N328-V330 PolarHBondContact O-N 3.5Å |
| 329 | S | 91.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -66.7 | 126.1 | 178.2 | -165.3 | 0 | 0 | 0 | 0 | 110 | T124 G125 P326 Q327 G331 Q356 L357 L360 | T124-S329 WeakPolarHBondContact O-CA 3.26Å; T124-S329 WeakPolarHBondContact O-CB 3.2Å; G125-S329 CarbonylContact O-C 3.6Å; G125-S329 WeakPolarHBondContact O-CA 3.04Å; P326-S329 VanDerWaalsContact O-CB 3.25Å; P326-S329 WeakPolarHBondContact O-CB 3.17Å; P326-S329 PolarHBondContact O-N 3.42Å; Q327-S329 VanDerWaalsContact C-N 3.34Å; S329-G331 PolarHBondContact OG-N 3.18Å; S329-Q356 PolarHBondContact O-NE2 3.06Å; S329-Q356 PolarHBondContact O-OE1 3.38Å; S329-L357 VanDerWaalsContact O-CD2 3.3Å; S329-L357 WeakPolarHBondContact O-CD2 3.5Å; S329-L360 VanDerWaalsContact O-CD2 3.26Å; S329-L360 WeakPolarHBondContact O-CD2 3.35Å | ||
| 330 | V | 92.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | trans | -98.5 | -3.3 | 167 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | G125 I127 V311 N328 L360 S419 L422 L426 | G125-V330 WeakPolarHBondContact O-CG2 3.5Å; G125-V330 PolarHBondContact O-N 3.04Å; I127-V330 HydrophobicContact CD1-CG2 4.02Å; I127-V330 HydrophobicContact CG1-CG2 3.91Å; V311-V330 HydrophobicContact CG2-CG2 4.3Å; N328-V330 PolarHBondContact O-N 3.5Å; V330-L360 HydrophobicContact CG1-CD2 3.97Å; V330-S419 VanDerWaalsContact O-CB 3.28Å; V330-S419 WeakPolarHBondContact O-CB 3.33Å; V330-S419 PolarHBondContact O-OG 3.31Å; V330-L422 HydrophobicContact CB-CB 4.46Å; V330-L422 HydrophobicContact CG1-CB 3.98Å; V330-L426 HydrophobicContact CG1-CD1 4.21Å | ||
| 331 | G | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -69.4 | 156.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G125 D312 S329 N353 | G125-G331 PolarHBondContact O-N 3.25Å; D312-G331 WeakPolarHBondContact OD1-CA 3.34Å; S329-G331 PolarHBondContact OG-N 3.18Å; G331-N353 PolarHBondContact O-ND2 2.67Å | ||
| 332 | R | 95.8 | Very high | 92.4 | Very high | 89 Ų | 89 | 30.2 Ų | 30.2 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | trans | -111.1 | 148.6 | 172 | 53.3 | 178.2 | 179.8 | -177.7 | 2.4 | 110.1 | D312 I334 N353 L415 | D312-R332 WeakPolarHBondContact CA-O 3.44Å; D312-R332 WeakPolarHBondContact CB-O 3.45Å; D312-R332 VanDerWaalsContact OD1-CG 3.25Å; D312-R332 WeakPolarHBondContact OD1-CG 3.37Å; D312-R332 PolarHBondContact OD1-N 2.82Å; D312-R332 IonicContact OD2-NE 3.54Å; D312-R332 PolarHBondContact OD2-NE 3.16Å; R332-I334 PolarHBondContact O-N 3.08Å; R332-N353 WeakPolarHBondContact CA-OD1 3.45Å; R332-L415 HydrophobicContact CB-CB 4.44Å | ||
| 333 | V | 95.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | trans | -63.3 | 134.4 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | P315 T316 L319 P335 L338 N353 | P315-V333 HydrophobicContact CB-CG2 4.33Å; T316-V333 WeakPolarHBondContact OG1-CA 3.46Å; L319-V333 HydrophobicContact CD1-CG2 3.39Å; L319-V333 HydrophobicContact CG-CG2 4.4Å; V333-P335 WeakPolarHBondContact O-CD 3.36Å; V333-L338 HydrophobicContact CG1-CD1 3.78Å; V333-L338 HydrophobicContact CG1-CG 4.1Å; V333-N353 HydrophobicContact CG2-CB 3.81Å; V333-N353 WeakPolarHBondContact CG2-OD1 3.47Å; V333-N353 PolarHBondContact N-OD1 2.87Å | ||
| 334 | I | 96.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | trans | -70.6 | 112.6 | 176.1 | -61.9 | 172.5 | 0 | 0 | 0 | 108.7 | F105 L289 L291 V308 D312 T316 R332 G336 V337 | F105-I334 HydrophobicContact CE1-CG2 4.27Å; F105-I334 HydrophobicContact CE2-CG2 3.67Å; F105-I334 HydrophobicContact CZ-CG2 3.52Å; L289-I334 HydrophobicContact CD2-CD1 4.03Å; L291-I334 HydrophobicContact CD1-CD1 4.43Å; V308-I334 HydrophobicContact CG1-CG1 4.36Å; D312-I334 HydrophobicContact CB-CG1 4.06Å; T316-I334 HydrophobicContact CG2-CB 4.18Å; T316-I334 HydrophobicContact CG2-CD1 4.49Å; T316-I334 HydrophobicContact CG2-CG1 4.48Å; T316-I334 WeakPolarHBondContact OG1-CG1 2.8Å; T316-I334 PolarHBondContact OG1-N 3.35Å; R332-I334 PolarHBondContact O-N 3.08Å; I334-G336 VanDerWaalsContact C-N 3.28Å; I334-G336 PolarHBondContact O-N 2.89Å; I334-V337 HydrophobicContact CB-CG2 4.28Å; I334-V337 HydrophobicContact CG2-CG2 4.3Å; I334-V337 PolarHBondContact O-N 3.45Å | ||
| 335 | P | 92.1 | Very high | 92.3 | Very high | 62 Ų | 62 | 34 Ų | 34 | 40% | 0.403 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -60.9 | -34.1 | -170.8 | -26.1 | 36.6 | 0 | 0 | 0 | 113.9 | V333 V337 L338 E339 L412 | V333-P335 WeakPolarHBondContact O-CD 3.36Å; P335-V337 PolarHBondContact O-N 3.33Å; P335-V337 VanDerWaalsContact O-N 3.13Å; P335-L338 PolarHBondContact O-N 3.08Å; P335-E339 PolarHBondContact O-N 3.05Å; P335-L412 HydrophobicContact CB-CD2 4.29Å; P335-L412 HydrophobicContact CG-CD2 3.66Å |
| 336 | G | 91.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 35 Ų | 35 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -53.2 | -34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H103 I334 L338 E339 | H103-G336 PolarHBondContact NE2-O 3.2Å; H103-G336 VanDerWaalsContact NE2-O 3.13Å; I334-G336 VanDerWaalsContact C-N 3.28Å; I334-G336 PolarHBondContact O-N 2.89Å; G336-L338 PolarHBondContact O-N 3.26Å; G336-E339 PolarHBondContact O-N 3.44Å |
| 337 | V | 93.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.055 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -66.9 | -20.3 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | L64 F65 L291 F296 T316 I334 P335 | L64-V337 HydrophobicContact CD1-CG1 3.86Å; F65-V337 HydrophobicContact CE2-CG1 3.84Å; F65-V337 HydrophobicContact CZ-CG1 3.87Å; L291-V337 HydrophobicContact CD1-CG2 3.5Å; F296-V337 HydrophobicContact CE1-CG1 4.42Å; F296-V337 HydrophobicContact CZ-CG2 4.41Å; T316-V337 HydrophobicContact CG2-CB 4.1Å; T316-V337 HydrophobicContact CG2-CG1 4.15Å; T316-V337 HydrophobicContact CG2-CG2 3.75Å; I334-V337 HydrophobicContact CB-CG2 4.28Å; I334-V337 HydrophobicContact CG2-CG2 4.3Å; I334-V337 PolarHBondContact O-N 3.45Å; P335-V337 PolarHBondContact O-N 3.33Å; P335-V337 VanDerWaalsContact O-N 3.13Å |
| 338 | L | 92.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -103.5 | -9.8 | -176.4 | -54.3 | -176 | 0 | 0 | 0 | 113.8 | L64 V333 P335 G336 E340 R341 Q346 F349 L350 | L64-L338 HydrophobicContact CD1-CD2 3.7Å; V333-L338 HydrophobicContact CG1-CD1 3.78Å; V333-L338 HydrophobicContact CG1-CG 4.1Å; P335-L338 PolarHBondContact O-N 3.08Å; G336-L338 PolarHBondContact O-N 3.26Å; L338-E340 VanDerWaalsContact C-N 3.31Å; L338-E340 PolarHBondContact O-N 3.22Å; L338-R341 WeakPolarHBondContact O-CB 3.17Å; L338-R341 PolarHBondContact O-N 2.91Å; L338-Q346 HydrophobicContact CB-CG 4.19Å; L338-Q346 VanDerWaalsContact O-CG 3.29Å; L338-Q346 WeakPolarHBondContact O-CG 3.42Å; L338-Q346 PolarHBondContact O-NE2 3.43Å; L338-F349 HydrophobicContact CD1-CB 3.74Å; L338-F349 HydrophobicContact CD1-CD2 4.42Å; L338-F349 HydrophobicContact CD1-CG 4.38Å; L338-F349 HydrophobicContact CD2-CB 4.28Å; L338-F349 HydrophobicContact CD2-CD2 3.68Å; L338-F349 HydrophobicContact CD2-CE2 4.18Å; L338-F349 HydrophobicContact CD2-CG 4.02Å; L338-L350 HydrophobicContact CD1-CD2 4.37Å |
| 339 | E | 89.7 | Confident | 93.1 | Very high | 111 Ų | 111 | 33 Ų | 33 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -41.3 | -167.3 | -78 | 177.1 | -174.3 | 0 | 0 | 113.7 | H103 P335 G336 R341 Q346 | H103-E339 IonicContact CE1-OE2 2.71Å; P335-E339 PolarHBondContact O-N 3.05Å; G336-E339 PolarHBondContact O-N 3.44Å; E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 2.98Å; E339-Q346 PolarHBondContact O-NE2 2.95Å |
| 340 | E | 90.2 | Very high | 93.3 | Very high | 117 Ų | 117 | 33 Ų | 33 | 55% | 0.547 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 3.9 | -177.6 | -60.7 | -61.5 | 153.2 | 0 | 0 | 113.5 | L338 | L338-E340 VanDerWaalsContact C-N 3.31Å; L338-E340 PolarHBondContact O-N 3.22Å |
| 341 | R | 91 | Very high | 93.4 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -88.7 | 160.6 | 177.8 | -54.2 | -60 | -89 | -167.3 | -16.9 | 111.7 | L64 L338 E339 D345 Q346 | L64-R341 HydrophobicContact CD2-CG 3.95Å; L64-R341 VanDerWaalsContact CD2-CZ 3.42Å; L64-R341 VanDerWaalsContact CD2-NH2 3.32Å; L338-R341 WeakPolarHBondContact O-CB 3.17Å; L338-R341 PolarHBondContact O-N 2.91Å; E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 2.98Å; R341-D345 HydrophobicContact CB-CB 4.14Å; R341-Q346 HydrophobicContact CB-CG 4.19Å; R341-Q346 PolarHBondContact O-NE2 2.84Å |
| 342 | S | 91.8 | Very high | 93.4 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | trans | -58.8 | 149.7 | 175.7 | 80.2 | 0 | 0 | 0 | 0 | 110.8 | R344 D345 Q346 | S342-R344 PolarHBondContact O-N 3.13Å; S342-D345 PolarHBondContact O-N 3.24Å; S342-D345 PolarHBondContact OG-N 3.14Å; S342-D345 PolarHBondContact OG-OD2 2.76Å; S342-Q346 WeakPolarHBondContact O-CG 3.42Å; S342-Q346 PolarHBondContact O-N 3.3Å | ||
| 343 | M | 92.4 | Very high | 93.4 | Very high | 46 Ų | 46 | 29.1 Ų | 29.1 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57 | -37.4 | -179.4 | -173.4 | 84.6 | -59.4 | 0 | 0 | 112.2 | D345 Q346 L347 W387 G404 L408 | M343-D345 PolarHBondContact O-N 3.22Å; M343-Q346 HydrophobicContact CE-CB 3.76Å; M343-Q346 VanDerWaalsContact CE-CD 3.46Å; M343-Q346 HydrophobicContact CE-CG 4.08Å; M343-Q346 PolarHBondContact O-N 3.15Å; M343-L347 HydrophobicContact CG-CD1 4.32Å; M343-L347 HydrophobicContact CG-CG 4.37Å; M343-L347 VanDerWaalsContact O-CG 3.27Å; M343-L347 WeakPolarHBondContact O-CG 3.05Å; M343-L347 PolarHBondContact O-N 2.88Å; M343-W387 HydrophobicContact CB-CH2 4.27Å; M343-W387 HydrophobicContact CB-CZ2 3.97Å; M343-W387 HydrophobicContact CG-CH2 4.25Å; M343-W387 HydrophobicContact CG-CZ2 3.72Å; M343-G404 VanDerWaalsContact SD-C 3.58Å; M343-L408 HydrophobicContact CE-CB 4.4Å; M343-L408 HydrophobicContact CE-CD1 3.89Å; M343-L408 HydrophobicContact CE-CD2 4.16Å; M343-L408 HydrophobicContact CE-CG 4.39Å |
| 344 | R | 91.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 29 Ų | 29 | 15% | 0.151 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.7 | 178.4 | 169.8 | 178.6 | -172.9 | 2.9 | 112 | E48 S342 L347 R348 W387 M388 | E48-R344 IonicContact OE1-CZ 3.01Å; E48-R344 IonicContact OE1-NE 3.13Å; E48-R344 PolarHBondContact OE1-NE 3.12Å; E48-R344 IonicContact OE1-NH2 3.92Å; E48-R344 IonicContact OE2-CZ 3.5Å; E48-R344 IonicContact OE2-NE 3.24Å; E48-R344 IonicContact OE2-NH2 2.6Å; E48-R344 PolarHBondContact OE2-NH2 2.95Å; S342-R344 PolarHBondContact O-N 3.13Å; R344-L347 PolarHBondContact O-N 3Å; R344-R348 VanDerWaalsContact O-CB 3.31Å; R344-R348 WeakPolarHBondContact O-CB 3.39Å; R344-R348 PolarHBondContact O-N 3.02Å; R344-W387 HydrophobicContact CB-CH2 3.87Å; R344-W387 HydrophobicContact CB-CZ3 4.01Å; R344-W387 HydrophobicContact CG-CZ3 4.44Å; R344-M388 HydrophobicContact CG-CE 4.01Å |
| 345 | D | 92 | Very high | 93.3 | Very high | 37 Ų | 37 | 31.3 Ų | 31.3 | 20% | 0.198 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | -179.7 | -63.8 | -41.5 | 0 | 0 | 0 | 110.9 | R341 S342 M343 L347 R348 F349 | R341-D345 HydrophobicContact CB-CB 4.14Å; S342-D345 PolarHBondContact O-N 3.24Å; S342-D345 PolarHBondContact OG-N 3.14Å; S342-D345 PolarHBondContact OG-OD2 2.76Å; M343-D345 PolarHBondContact O-N 3.22Å; D345-L347 PolarHBondContact O-N 3.35Å; D345-R348 PolarHBondContact O-N 3.47Å; D345-R348 VanDerWaalsContact O-N 3.15Å; D345-F349 HydrophobicContact CB-CD2 4.39Å; D345-F349 HydrophobicContact CB-CE2 4.19Å; D345-F349 WeakPolarHBondContact O-CD2 3.49Å; D345-F349 PolarHBondContact O-N 3.26Å |
| 346 | Q | 94.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 29.2 Ų | 29.2 | 12% | 0.121 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.6 | -50.5 | 176.3 | -64.7 | -173.3 | 32.1 | 0 | 0 | 111.2 | L338 E339 R341 S342 M343 R348 F349 L350 L408 | L338-Q346 HydrophobicContact CB-CG 4.19Å; L338-Q346 VanDerWaalsContact O-CG 3.29Å; L338-Q346 WeakPolarHBondContact O-CG 3.42Å; L338-Q346 PolarHBondContact O-NE2 3.43Å; E339-Q346 PolarHBondContact O-NE2 2.95Å; R341-Q346 HydrophobicContact CB-CG 4.19Å; R341-Q346 PolarHBondContact O-NE2 2.84Å; S342-Q346 WeakPolarHBondContact O-CG 3.42Å; S342-Q346 PolarHBondContact O-N 3.3Å; M343-Q346 HydrophobicContact CE-CB 3.76Å; M343-Q346 VanDerWaalsContact CE-CD 3.46Å; M343-Q346 HydrophobicContact CE-CG 4.08Å; M343-Q346 PolarHBondContact O-N 3.15Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 3.01Å; Q346-F349 PolarHBondContact O-N 3.09Å; Q346-L350 WeakPolarHBondContact O-CG 3.45Å; Q346-L350 PolarHBondContact O-N 2.99Å; Q346-L350 VanDerWaalsContact O-N 3.1Å; Q346-L408 HydrophobicContact CB-CD1 3.89Å |
| 347 | L | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 177.7 | -63.1 | -176.6 | 0 | 0 | 0 | 112 | M343 R344 D345 H351 W387 V407 L408 Y411 | M343-L347 HydrophobicContact CG-CD1 4.32Å; M343-L347 HydrophobicContact CG-CG 4.37Å; M343-L347 VanDerWaalsContact O-CG 3.27Å; M343-L347 WeakPolarHBondContact O-CG 3.05Å; M343-L347 PolarHBondContact O-N 2.88Å; R344-L347 PolarHBondContact O-N 3Å; D345-L347 PolarHBondContact O-N 3.35Å; L347-H351 WeakPolarHBondContact O-CB 3.43Å; L347-H351 PolarHBondContact O-N 3.25Å; L347-W387 HydrophobicContact CD1-CD2 3.8Å; L347-W387 HydrophobicContact CD1-CE3 3.68Å; L347-W387 HydrophobicContact CD1-CG 4.35Å; L347-W387 HydrophobicContact CD1-CH2 4.42Å; L347-W387 HydrophobicContact CD1-CZ3 4.01Å; L347-V407 HydrophobicContact CD1-CB 4.34Å; L347-V407 HydrophobicContact CD1-CG1 4.16Å; L347-V407 HydrophobicContact CD2-CB 4.06Å; L347-V407 HydrophobicContact CD2-CG1 3.83Å; L347-L408 HydrophobicContact CD2-CB 3.93Å; L347-L408 HydrophobicContact CD2-CD1 4.18Å; L347-Y411 HydrophobicContact CD2-CD2 4.11Å; L347-Y411 HydrophobicContact CD2-CE2 4.37Å |
| 348 | R | 93.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 177.7 | -174.6 | 59.6 | 174.3 | 152.1 | 5.3 | 112.2 | P46 A47 E48 R59 P61 R344 D345 Q346 H351 L352 | P46-R348 PolarHBondContact O-NH1 3.37Å; P46-R348 PolarHBondContact O-NH2 3Å; A47-R348 PolarHBondContact O-NH1 3.3Å; E48-R348 VanDerWaalsContact CA-NH1 3.35Å; R59-R348 PolarHBondContact O-NE 3.05Å; P61-R348 HydrophobicContact CB-CG 4.38Å; P61-R348 HydrophobicContact CG-CG 4Å; R344-R348 VanDerWaalsContact O-CB 3.31Å; R344-R348 WeakPolarHBondContact O-CB 3.39Å; R344-R348 PolarHBondContact O-N 3.02Å; D345-R348 PolarHBondContact O-N 3.47Å; D345-R348 VanDerWaalsContact O-N 3.15Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 3.01Å; R348-H351 PolarHBondContact NH1-CE1 2.78Å; R348-H351 VanDerWaalsContact NH1-CE1 3.35Å; R348-H351 PolarHBondContact NH1-ND1 3.39Å; R348-H351 PolarHBondContact O-N 2.84Å; R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 3.29Å |
| 349 | F | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.2 | -76.1 | -62.3 | 0 | 0 | 0 | 111.9 | P61 L64 L319 L338 D345 Q346 H351 L352 N353 | P61-F349 HydrophobicContact CB-CD1 4.31Å; P61-F349 HydrophobicContact CB-CE1 3.75Å; P61-F349 HydrophobicContact CB-CE2 3.99Å; P61-F349 HydrophobicContact CB-CZ 3.57Å; P61-F349 HydrophobicContact CG-CD1 3.89Å; P61-F349 HydrophobicContact CG-CE1 3.59Å; P61-F349 HydrophobicContact CG-CZ 3.98Å; L64-F349 HydrophobicContact CD1-CZ 4.4Å; L64-F349 HydrophobicContact CD2-CE2 3.64Å; L64-F349 HydrophobicContact CD2-CZ 3.61Å; L64-F349 HydrophobicContact CG-CE2 4.3Å; L64-F349 HydrophobicContact CG-CZ 3.9Å; L319-F349 HydrophobicContact CB-CD1 3.75Å; L319-F349 HydrophobicContact CB-CE1 4.01Å; L319-F349 HydrophobicContact CD1-CB 4.17Å; L319-F349 HydrophobicContact CD1-CD1 3.94Å; L319-F349 WeakPolarHBondContact CD1-O 3.34Å; L319-F349 HydrophobicContact CD2-CD1 4.35Å; L319-F349 HydrophobicContact CG-CD1 4.24Å; L338-F349 HydrophobicContact CD1-CB 3.74Å; L338-F349 HydrophobicContact CD1-CD2 4.42Å; L338-F349 HydrophobicContact CD1-CG 4.38Å; L338-F349 HydrophobicContact CD2-CB 4.28Å; L338-F349 HydrophobicContact CD2-CD2 3.68Å; L338-F349 HydrophobicContact CD2-CE2 4.18Å; L338-F349 HydrophobicContact CD2-CG 4.02Å; D345-F349 HydrophobicContact CB-CD2 4.39Å; D345-F349 HydrophobicContact CB-CE2 4.19Å; D345-F349 WeakPolarHBondContact O-CD2 3.49Å; D345-F349 PolarHBondContact O-N 3.26Å; Q346-F349 PolarHBondContact O-N 3.09Å; F349-H351 VanDerWaalsContact C-N 3.31Å; F349-H351 PolarHBondContact O-N 2.9Å; F349-L352 PolarHBondContact O-N 2.86Å; F349-N353 PolarHBondContact O-N 2.84Å; F349-N353 VanDerWaalsContact O-N 3.1Å |
| 350 | L | 96.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | 177.6 | -64.3 | 180 | 0 | 0 | 0 | 112.2 | L338 Q346 G354 L408 Y411 L412 L415 | L338-L350 HydrophobicContact CD1-CD2 4.37Å; Q346-L350 WeakPolarHBondContact O-CG 3.45Å; Q346-L350 PolarHBondContact O-N 2.99Å; Q346-L350 VanDerWaalsContact O-N 3.1Å; L350-G354 PolarHBondContact O-N 3.41Å; L350-L408 HydrophobicContact CD1-CD1 3.46Å; L350-L408 VanDerWaalsContact CD1-CD1 3.46Å; L350-L408 HydrophobicContact CD1-CG 4.21Å; L350-Y411 HydrophobicContact CB-CD1 4.5Å; L350-Y411 HydrophobicContact CB-CD2 4.31Å; L350-Y411 HydrophobicContact CB-CG 3.99Å; L350-L412 HydrophobicContact CD1-CD2 4.09Å; L350-L412 HydrophobicContact CD1-CG 4.12Å; L350-L412 HydrophobicContact CD2-CD2 3.79Å; L350-L415 HydrophobicContact CB-CD1 4.14Å; L350-L415 HydrophobicContact CD2-CD1 3.59Å; L350-L415 HydrophobicContact CG-CD1 4.38Å |
| 351 | H | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.7 | 172.9 | -104 | 0 | 0 | 0 | 112.3 | A47 P49 L347 R348 F349 G354 H355 E381 Y411 | A47-H351 PolarHBondContact O-CE1 3.16Å; A47-H351 VanDerWaalsContact O-CE1 3.24Å; P49-H351 WeakPolarHBondContact CG-NE2 3.42Å; L347-H351 WeakPolarHBondContact O-CB 3.43Å; L347-H351 PolarHBondContact O-N 3.25Å; R348-H351 PolarHBondContact NH1-CE1 2.78Å; R348-H351 VanDerWaalsContact NH1-CE1 3.35Å; R348-H351 PolarHBondContact NH1-ND1 3.39Å; R348-H351 PolarHBondContact O-N 2.84Å; F349-H351 VanDerWaalsContact C-N 3.31Å; F349-H351 PolarHBondContact O-N 2.9Å; H351-G354 PolarHBondContact O-N 2.94Å; H351-H355 WeakPolarHBondContact O-CB 3.49Å; H351-H355 PolarHBondContact O-N 3.43Å; H351-E381 IonicContact NE2-OE1 3.25Å; H351-E381 PolarHBondContact NE2-OE1 2.72Å; H351-Y411 HydrophobicContact CB-CE1 4.2Å |
| 352 | L | 94.9 | Very high | 92.8 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.047 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.2 | -70.2 | 178.5 | 0 | 0 | 0 | 112.2 | L45 P46 P61 L319 R348 F349 H355 Q356 | L45-L352 HydrophobicContact CB-CD2 4.35Å; L45-L352 HydrophobicContact CD2-CD2 4.21Å; P46-L352 HydrophobicContact CG-CD2 3.97Å; P61-L352 HydrophobicContact CG-CD1 3.86Å; L319-L352 HydrophobicContact CD2-CB 4.16Å; L319-L352 HydrophobicContact CD2-CD1 4.14Å; R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 3.29Å; F349-L352 PolarHBondContact O-N 2.86Å; L352-H355 PolarHBondContact O-N 3.28Å; L352-Q356 PolarHBondContact O-N 3.12Å; L352-Q356 VanDerWaalsContact O-N 3.14Å |
| 353 | N | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.3 | -42.7 | 175.8 | -178.5 | -156.1 | 0 | 0 | 0 | 111.5 | L319 G331 R332 V333 F349 H355 Q356 L357 L415 | L319-N353 HydrophobicContact CD1-CB 4.27Å; G331-N353 PolarHBondContact O-ND2 2.67Å; R332-N353 WeakPolarHBondContact CA-OD1 3.45Å; V333-N353 HydrophobicContact CG2-CB 3.81Å; V333-N353 WeakPolarHBondContact CG2-OD1 3.47Å; V333-N353 PolarHBondContact N-OD1 2.87Å; F349-N353 PolarHBondContact O-N 2.84Å; F349-N353 VanDerWaalsContact O-N 3.1Å; N353-H355 VanDerWaalsContact C-N 3.32Å; N353-H355 PolarHBondContact O-N 3.46Å; N353-Q356 PolarHBondContact O-N 2.85Å; N353-L357 PolarHBondContact O-N 3.27Å; N353-L415 HydrophobicContact CB-CD2 3.94Å; N353-L415 VanDerWaalsContact OD1-CD2 3.26Å; N353-L415 WeakPolarHBondContact OD1-CD2 3.26Å |
| 354 | G | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L350 H351 L357 S358 F377 | L350-G354 PolarHBondContact O-N 3.41Å; H351-G354 PolarHBondContact O-N 2.94Å; G354-L357 PolarHBondContact O-N 3.42Å; G354-S358 VanDerWaalsContact O-CB 3.31Å; G354-S358 WeakPolarHBondContact O-CB 3.5Å; G354-S358 PolarHBondContact O-N 2.95Å; G354-F377 VanDerWaalsContact C-CE2 3.41Å |
| 355 | H | 94.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 19.4 Ų | 19.4 | 24% | 0.236 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 175 | -178.3 | 79.7 | 0 | 0 | 0 | 112 | P46 H351 L352 N353 S358 C359 F377 | P46-H355 VanDerWaalsContact CD-CD2 3.49Å; P46-H355 WeakPolarHBondContact CD-CD2 3.19Å; P46-H355 HydrophobicContact CG-CB 3.75Å; P46-H355 VanDerWaalsContact CG-CG 3.49Å; H351-H355 WeakPolarHBondContact O-CB 3.49Å; H351-H355 PolarHBondContact O-N 3.43Å; L352-H355 PolarHBondContact O-N 3.28Å; N353-H355 VanDerWaalsContact C-N 3.32Å; N353-H355 PolarHBondContact O-N 3.46Å; H355-S358 WeakPolarHBondContact CA-OG 3.3Å; H355-S358 PolarHBondContact O-N 3.28Å; H355-S358 PolarHBondContact O-OG 2.68Å; H355-C359 PolarHBondContact O-N 2.83Å; H355-C359 PolarHBondContact O-SG 3.09Å; H355-C359 VanDerWaalsContact O-SG 3.35Å; H355-F377 HydrophobicContact CB-CZ 4.15Å |
| 356 | Q | 93.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 21.7 Ų | 21.7 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 176.1 | 175.5 | -83.8 | -36.7 | 0 | 0 | 111.2 | V325 P326 Q327 S329 L352 N353 S358 C359 L360 | V325-Q356 HydrophobicContact CB-CB 4.35Å; V325-Q356 HydrophobicContact CB-CG 4.08Å; V325-Q356 HydrophobicContact CG1-CB 4.5Å; V325-Q356 HydrophobicContact CG1-CG 3.93Å; P326-Q356 PolarHBondContact O-NE2 3.46Å; Q327-Q356 PolarHBondContact O-NE2 2.89Å; S329-Q356 PolarHBondContact O-NE2 3.06Å; S329-Q356 PolarHBondContact O-OE1 3.38Å; L352-Q356 PolarHBondContact O-N 3.12Å; L352-Q356 VanDerWaalsContact O-N 3.14Å; N353-Q356 PolarHBondContact O-N 2.85Å; Q356-S358 VanDerWaalsContact C-N 3.27Å; Q356-S358 PolarHBondContact O-N 3.17Å; Q356-C359 PolarHBondContact O-N 3.16Å; Q356-L360 PolarHBondContact O-N 3.4Å |
| 357 | L | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61 | -36.9 | 175 | -69.2 | -175.2 | 0 | 0 | 0 | 112 | S329 N353 G354 L360 L361 L415 M418 L422 | S329-L357 VanDerWaalsContact O-CD2 3.3Å; S329-L357 WeakPolarHBondContact O-CD2 3.5Å; N353-L357 PolarHBondContact O-N 3.27Å; G354-L357 PolarHBondContact O-N 3.42Å; L357-L360 PolarHBondContact O-N 2.96Å; L357-L361 VanDerWaalsContact O-CB 3.29Å; L357-L361 WeakPolarHBondContact O-CB 3.43Å; L357-L361 PolarHBondContact O-N 2.95Å; L357-L415 HydrophobicContact CD1-CD2 3.7Å; L357-M418 HydrophobicContact CB-CB 4.26Å; L357-M418 HydrophobicContact CB-CE 4.06Å; L357-M418 HydrophobicContact CB-SD 4.35Å; L357-M418 HydrophobicContact CD1-CB 4.31Å; L357-L422 HydrophobicContact CB-CD1 4.37Å; L357-L422 HydrophobicContact CD2-CD1 3.86Å |
| 358 | S | 93 | Very high | 88.3 | Confident | 12 Ų | 12 | 27 Ų | 27 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 177.7 | 82.5 | 0 | 0 | 0 | 0 | 112.2 | G354 H355 Q356 L361 R362 | G354-S358 VanDerWaalsContact O-CB 3.31Å; G354-S358 WeakPolarHBondContact O-CB 3.5Å; G354-S358 PolarHBondContact O-N 2.95Å; H355-S358 WeakPolarHBondContact CA-OG 3.3Å; H355-S358 PolarHBondContact O-N 3.28Å; H355-S358 PolarHBondContact O-OG 2.68Å; Q356-S358 VanDerWaalsContact C-N 3.27Å; Q356-S358 PolarHBondContact O-N 3.17Å; S358-L361 PolarHBondContact O-N 2.78Å; S358-R362 WeakPolarHBondContact O-CB 3.46Å; S358-R362 PolarHBondContact O-N 3.23Å |
| 359 | C | 89.4 | Confident | 88 | Confident | 25 Ų | 25 | 32.8 Ų | 32.8 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -46.4 | 174.2 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | H355 Q356 L361 R362 D363 | H355-C359 PolarHBondContact O-N 2.83Å; H355-C359 PolarHBondContact O-SG 3.09Å; H355-C359 VanDerWaalsContact O-SG 3.35Å; Q356-C359 PolarHBondContact O-N 3.16Å; C359-L361 VanDerWaalsContact C-N 3.28Å; C359-L361 PolarHBondContact O-N 2.98Å; C359-R362 WeakPolarHBondContact O-CB 3.48Å; C359-R362 PolarHBondContact O-N 3.23Å; C359-D363 WeakPolarHBondContact O-CB 3.45Å; C359-D363 PolarHBondContact O-N 3.47Å |
| 360 | L | 86.9 | Confident | 87.6 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 176.1 | -175.7 | 57.9 | 0 | 0 | 0 | 111.2 | V32 S329 V330 Q356 L357 D363 S364 L422 | V32-L360 HydrophobicContact CG1-CD1 3.95Å; S329-L360 VanDerWaalsContact O-CD2 3.26Å; S329-L360 WeakPolarHBondContact O-CD2 3.35Å; V330-L360 HydrophobicContact CG1-CD2 3.97Å; Q356-L360 PolarHBondContact O-N 3.4Å; L357-L360 PolarHBondContact O-N 2.96Å; L360-D363 PolarHBondContact O-N 3.48Å; L360-S364 VanDerWaalsContact O-CB 3.25Å; L360-S364 WeakPolarHBondContact O-CB 3.5Å; L360-S364 PolarHBondContact O-N 2.85Å; L360-S364 PolarHBondContact O-OG 3.35Å; L360-L422 HydrophobicContact CB-CD1 4.33Å; L360-L422 HydrophobicContact CB-CD2 4.47Å; L360-L422 HydrophobicContact CD2-CD1 3.98Å; L360-L422 HydrophobicContact CD2-CD2 4.29Å; L360-L422 HydrophobicContact CG-CD1 4.18Å; L360-L422 HydrophobicContact CG-CD2 3.87Å |
| 361 | L | 86.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.8 | -170.7 | 71 | 0 | 0 | 0 | 112.3 | L357 S358 C359 S364 T365 E371 F374 M418 A421 L422 | L357-L361 VanDerWaalsContact O-CB 3.29Å; L357-L361 WeakPolarHBondContact O-CB 3.43Å; L357-L361 PolarHBondContact O-N 2.95Å; S358-L361 PolarHBondContact O-N 2.78Å; C359-L361 VanDerWaalsContact C-N 3.28Å; C359-L361 PolarHBondContact O-N 2.98Å; L361-S364 PolarHBondContact O-N 2.94Å; L361-T365 VanDerWaalsContact O-CB 3.26Å; L361-T365 WeakPolarHBondContact O-CB 3.38Å; L361-T365 PolarHBondContact O-N 3.14Å; L361-T365 PolarHBondContact O-OG1 2.91Å; L361-E371 HydrophobicContact CD1-CG 4.4Å; L361-E371 HydrophobicContact CD2-CB 3.94Å; L361-E371 HydrophobicContact CD2-CG 4.16Å; L361-F374 HydrophobicContact CD2-CB 3.99Å; L361-M418 HydrophobicContact CD2-CG 4.39Å; L361-A421 HydrophobicContact CD1-CB 4.32Å; L361-L422 HydrophobicContact CB-CD2 4.22Å; L361-L422 HydrophobicContact CB-CG 4.49Å; L361-L422 HydrophobicContact CD1-CD2 3.9Å; L361-L422 HydrophobicContact CD1-CG 3.98Å |
| 362 | R | 86.4 | Confident | 87 | Confident | 121 Ų | 121 | 45.5 Ų | 45.5 | 46% | 0.457 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 173 | 175.9 | -171 | 70 | -155.4 | -4.4 | 111.6 | S358 C359 S364 Y368 | S358-R362 WeakPolarHBondContact O-CB 3.46Å; S358-R362 PolarHBondContact O-N 3.23Å; C359-R362 WeakPolarHBondContact O-CB 3.48Å; C359-R362 PolarHBondContact O-N 3.23Å; R362-S364 PolarHBondContact O-N 3.21Å; R362-Y368 HydrophobicContact CB-CD1 4.05Å; R362-Y368 HydrophobicContact CB-CD2 4.07Å; R362-Y368 HydrophobicContact CB-CE1 4.08Å; R362-Y368 HydrophobicContact CB-CE2 4.07Å; R362-Y368 HydrophobicContact CB-CG 4.05Å; R362-Y368 HydrophobicContact CG-CD1 4.01Å; R362-Y368 HydrophobicContact CG-CE1 3.65Å; R362-Y368 HydrophobicContact CG-CE2 4.31Å |
| 363 | D | 79.3 | Confident | 86.8 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -71.6 | -24.7 | -177.7 | -61.9 | -5.1 | 0 | 0 | 0 | 111.4 | C359 L360 | C359-D363 WeakPolarHBondContact O-CB 3.45Å; C359-D363 PolarHBondContact O-N 3.47Å; L360-D363 PolarHBondContact O-N 3.48Å |
| 364 | S | 73.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -93.2 | -24.6 | -178.4 | -52.6 | 0 | 0 | 0 | 0 | 114.7 | V32 L360 L361 R362 Q425 | V32-S364 WeakPolarHBondContact CG1-OG 3.36Å; L360-S364 VanDerWaalsContact O-CB 3.25Å; L360-S364 WeakPolarHBondContact O-CB 3.5Å; L360-S364 PolarHBondContact O-N 2.85Å; L360-S364 PolarHBondContact O-OG 3.35Å; L361-S364 PolarHBondContact O-N 2.94Å; R362-S364 PolarHBondContact O-N 3.21Å; S364-Q425 PolarHBondContact O-OE1 3.36Å |
| 365 | T | 73.6 | Confident | 86.7 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | trans | -132.7 | 116.7 | -167.3 | -37 | 0 | 0 | 0 | 0 | 111.6 | L361 D367 Y368 Q425 | L361-T365 VanDerWaalsContact O-CB 3.26Å; L361-T365 WeakPolarHBondContact O-CB 3.38Å; L361-T365 PolarHBondContact O-N 3.14Å; L361-T365 PolarHBondContact O-OG1 2.91Å; T365-D367 VanDerWaalsContact C-N 3.26Å; T365-D367 PolarHBondContact O-N 3.26Å; T365-Y368 PolarHBondContact O-N 2.94Å; T365-Q425 VanDerWaalsContact CG2-NE2 3.31Å; T365-Q425 VanDerWaalsContact OG1-CD 3.26Å; T365-Q425 PolarHBondContact OG1-NE2 2.69Å; T365-Q425 PolarHBondContact OG1-OE1 3.19Å | ||
| 366 | P | 73.6 | Confident | 86.8 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -41.2 | 176.4 | -23.7 | 32.6 | 0 | 0 | 0 | 112.7 | ||
| 367 | D | 80.9 | Confident | 86.9 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 28.5 | -178 | -92.7 | -16.7 | 0 | 0 | 0 | 113.6 | T365 Q369 K370 | T365-D367 VanDerWaalsContact C-N 3.26Å; T365-D367 PolarHBondContact O-N 3.26Å; D367-Q369 PolarHBondContact O-N 3.13Å; D367-K370 HydrophobicContact CB-CD 4.28Å; D367-K370 VanDerWaalsContact CG-NZ 3.32Å; D367-K370 PolarHBondContact O-N 3.03Å; D367-K370 IonicContact OD1-NZ 3.69Å; D367-K370 PolarHBondContact OD1-NZ 3.11Å; D367-K370 IonicContact OD2-NZ 3.72Å; D367-K370 PolarHBondContact OD2-NZ 3.02Å |
| 368 | Y | 83.2 | Confident | 87 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -52.3 | -26.6 | -175.6 | 74.2 | -80.3 | 0 | 0 | 0 | 114.4 | R362 T365 K370 E371 F374 | R362-Y368 HydrophobicContact CB-CD1 4.05Å; R362-Y368 HydrophobicContact CB-CD2 4.07Å; R362-Y368 HydrophobicContact CB-CE1 4.08Å; R362-Y368 HydrophobicContact CB-CE2 4.07Å; R362-Y368 HydrophobicContact CB-CG 4.05Å; R362-Y368 HydrophobicContact CG-CD1 4.01Å; R362-Y368 HydrophobicContact CG-CE1 3.65Å; R362-Y368 HydrophobicContact CG-CE2 4.31Å; T365-Y368 PolarHBondContact O-N 2.94Å; Y368-K370 PolarHBondContact O-N 2.94Å; Y368-E371 VanDerWaalsContact O-CB 3.32Å; Y368-E371 WeakPolarHBondContact O-CB 3.34Å; Y368-E371 PolarHBondContact O-N 3.39Å; Y368-E371 VanDerWaalsContact O-N 3.12Å; Y368-F374 HydrophobicContact CD2-CD1 4.12Å; Y368-F374 AromaticContact CD2-CD2 3.99Å; Y368-F374 HydrophobicContact CD2-CD2 3.99Å; Y368-F374 HydrophobicContact CD2-CE1 4.08Å; Y368-F374 AromaticContact CD2-CE2 3.98Å; Y368-F374 HydrophobicContact CD2-CE2 3.98Å; Y368-F374 HydrophobicContact CD2-CG 4.07Å; Y368-F374 HydrophobicContact CD2-CZ 4.04Å; Y368-F374 HydrophobicContact CE2-CD1 4.28Å; Y368-F374 HydrophobicContact CE2-CD2 4.23Å; Y368-F374 AromaticContact CE2-CE1 3.76Å; Y368-F374 HydrophobicContact CE2-CE1 3.76Å; Y368-F374 AromaticContact CE2-CE2 3.73Å; Y368-F374 HydrophobicContact CE2-CE2 3.73Å; Y368-F374 HydrophobicContact CE2-CG 4.48Å; Y368-F374 AromaticContact CE2-CZ 3.49Å; Y368-F374 HydrophobicContact CE2-CZ 3.49Å; Y368-F374 VanDerWaalsContact CE2-CZ 3.49Å |
| 369 | Q | 87.3 | Confident | 87.1 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -64 | -24.5 | 179.2 | -64.5 | 173 | -8.8 | 0 | 0 | 113.3 | D367 F374 | D367-Q369 PolarHBondContact O-N 3.13Å; Q369-F374 HydrophobicContact CG-CE1 4.35Å |
| 370 | K | 86.7 | Confident | 87.5 | Confident | 157 Ų | 157 | 59 Ų | 59 | 68% | 0.683 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -85.7 | -10.7 | 177.7 | -61.7 | 176.3 | -170.8 | 158.5 | 0 | 112.6 | D367 Y368 A372 | D367-K370 HydrophobicContact CB-CD 4.28Å; D367-K370 VanDerWaalsContact CG-NZ 3.32Å; D367-K370 PolarHBondContact O-N 3.03Å; D367-K370 IonicContact OD1-NZ 3.69Å; D367-K370 PolarHBondContact OD1-NZ 3.11Å; D367-K370 IonicContact OD2-NZ 3.72Å; D367-K370 PolarHBondContact OD2-NZ 3.02Å; Y368-K370 PolarHBondContact O-N 2.94Å; K370-A372 PolarHBondContact O-N 3.2Å |
| 371 | E | 88.1 | Confident | 87.9 | Confident | 50 Ų | 50 | 62 Ų | 62 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | trans | -70.4 | 126.1 | 180 | -69.1 | -74.3 | 175.5 | 0 | 0 | 110.3 | L361 Y368 G373 F374 E375 | L361-E371 HydrophobicContact CD1-CG 4.4Å; L361-E371 HydrophobicContact CD2-CB 3.94Å; L361-E371 HydrophobicContact CD2-CG 4.16Å; Y368-E371 VanDerWaalsContact O-CB 3.32Å; Y368-E371 WeakPolarHBondContact O-CB 3.34Å; Y368-E371 PolarHBondContact O-N 3.39Å; Y368-E371 VanDerWaalsContact O-N 3.12Å; E371-G373 PolarHBondContact O-N 3.32Å; E371-G373 VanDerWaalsContact O-N 3.15Å; E371-F374 HydrophobicContact CB-CB 4.43Å; E371-F374 WeakPolarHBondContact O-CB 3.13Å; E371-F374 PolarHBondContact O-N 3.03Å; E371-E375 PolarHBondContact O-N 2.96Å | ||
| 372 | A | 90.8 | Very high | 88.2 | Confident | 65 Ų | 65 | 70 Ų | 70 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.3 | -36.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K370 F374 E375 Q376 | K370-A372 PolarHBondContact O-N 3.2Å; A372-F374 VanDerWaalsContact C-N 3.34Å; A372-F374 PolarHBondContact O-N 3.2Å; A372-E375 PolarHBondContact O-N 3.13Å; A372-Q376 WeakPolarHBondContact O-CB 3.36Å; A372-Q376 VanDerWaalsContact O-CG 3.23Å; A372-Q376 WeakPolarHBondContact O-CG 3.31Å; A372-Q376 PolarHBondContact O-N 2.71Å |
| 373 | G | 91.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E371 F377 M418 | E371-G373 PolarHBondContact O-N 3.32Å; E371-G373 VanDerWaalsContact O-N 3.15Å; G373-F377 WeakPolarHBondContact O-CB 3.28Å; G373-F377 PolarHBondContact O-N 3.38Å; G373-M418 VanDerWaalsContact C-CG 3.46Å |
| 374 | F | 94.5 | Very high | 89.4 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 176.7 | -179.6 | -105.9 | 0 | 0 | 0 | 111.3 | L361 Y368 Q369 E371 A372 F377 R378 | L361-F374 HydrophobicContact CD2-CB 3.99Å; Y368-F374 HydrophobicContact CD2-CD1 4.12Å; Y368-F374 AromaticContact CD2-CD2 3.99Å; Y368-F374 HydrophobicContact CD2-CD2 3.99Å; Y368-F374 HydrophobicContact CD2-CE1 4.08Å; Y368-F374 AromaticContact CD2-CE2 3.98Å; Y368-F374 HydrophobicContact CD2-CE2 3.98Å; Y368-F374 HydrophobicContact CD2-CG 4.07Å; Y368-F374 HydrophobicContact CD2-CZ 4.04Å; Y368-F374 HydrophobicContact CE2-CD1 4.28Å; Y368-F374 HydrophobicContact CE2-CD2 4.23Å; Y368-F374 AromaticContact CE2-CE1 3.76Å; Y368-F374 HydrophobicContact CE2-CE1 3.76Å; Y368-F374 AromaticContact CE2-CE2 3.73Å; Y368-F374 HydrophobicContact CE2-CE2 3.73Å; Y368-F374 HydrophobicContact CE2-CG 4.48Å; Y368-F374 AromaticContact CE2-CZ 3.49Å; Y368-F374 HydrophobicContact CE2-CZ 3.49Å; Y368-F374 VanDerWaalsContact CE2-CZ 3.49Å; Q369-F374 HydrophobicContact CG-CE1 4.35Å; E371-F374 HydrophobicContact CB-CB 4.43Å; E371-F374 WeakPolarHBondContact O-CB 3.13Å; E371-F374 PolarHBondContact O-N 3.03Å; A372-F374 VanDerWaalsContact C-N 3.34Å; A372-F374 PolarHBondContact O-N 3.2Å; F374-F377 WeakPolarHBondContact O-CB 3.25Å; F374-F377 PolarHBondContact O-N 3.24Å; F374-R378 VanDerWaalsContact CE1-CD 3.5Å; F374-R378 HydrophobicContact CE1-CG 4.11Å; F374-R378 HydrophobicContact CZ-CG 4.1Å; F374-R378 WeakPolarHBondContact O-CG 3.36Å; F374-R378 PolarHBondContact O-N 3.41Å |
| 375 | E | 94.4 | Very high | 90.3 | Very high | 94 Ų | 94 | 61.3 Ų | 61.3 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 176.6 | -173.2 | 58.2 | -161.1 | 0 | 0 | 111.5 | E371 A372 F377 R378 V379 | E371-E375 PolarHBondContact O-N 2.96Å; A372-E375 PolarHBondContact O-N 3.13Å; E375-F377 VanDerWaalsContact C-N 3.28Å; E375-F377 PolarHBondContact O-N 3.46Å; E375-R378 PolarHBondContact O-N 3.47Å; E375-V379 WeakPolarHBondContact O-CG2 3.44Å; E375-V379 PolarHBondContact O-N 2.97Å |
| 376 | Q | 95.6 | Very high | 91.2 | Very high | 76 Ų | 76 | 63 Ų | 63 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -41.3 | 172.6 | -73.2 | 171.2 | -2.9 | 0 | 0 | 111.9 | A372 V379 A380 A414 | A372-Q376 WeakPolarHBondContact O-CB 3.36Å; A372-Q376 VanDerWaalsContact O-CG 3.23Å; A372-Q376 WeakPolarHBondContact O-CG 3.31Å; A372-Q376 PolarHBondContact O-N 2.71Å; Q376-V379 PolarHBondContact O-N 2.97Å; Q376-A380 WeakPolarHBondContact O-CB 3.35Å; Q376-A380 PolarHBondContact O-N 3.42Å; Q376-A414 HydrophobicContact CB-CB 3.76Å |
| 377 | F | 96.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 176 | 175.7 | -107.4 | 0 | 0 | 0 | 111.8 | G354 H355 G373 F374 E375 V379 A380 E381 Y411 A414 M418 | G354-F377 VanDerWaalsContact C-CE2 3.41Å; H355-F377 HydrophobicContact CB-CZ 4.15Å; G373-F377 WeakPolarHBondContact O-CB 3.28Å; G373-F377 PolarHBondContact O-N 3.38Å; F374-F377 WeakPolarHBondContact O-CB 3.25Å; F374-F377 PolarHBondContact O-N 3.24Å; E375-F377 VanDerWaalsContact C-N 3.28Å; E375-F377 PolarHBondContact O-N 3.46Å; F377-V379 VanDerWaalsContact C-N 3.33Å; F377-V379 PolarHBondContact O-N 3.48Å; F377-A380 WeakPolarHBondContact O-CB 3.19Å; F377-A380 PolarHBondContact O-N 2.84Å; F377-E381 WeakPolarHBondContact O-CB 3.26Å; F377-E381 PolarHBondContact O-N 3.31Å; F377-Y411 HydrophobicContact CD2-CD1 4.1Å; F377-Y411 AromaticContact CD2-CE1 3.96Å; F377-Y411 HydrophobicContact CD2-CE1 3.96Å; F377-Y411 HydrophobicContact CE2-CD1 4.19Å; F377-Y411 AromaticContact CE2-CE1 3.74Å; F377-Y411 HydrophobicContact CE2-CE1 3.74Å; F377-A414 HydrophobicContact CB-CB 4Å; F377-M418 HydrophobicContact CB-CE 3.79Å; F377-M418 HydrophobicContact CB-SD 4.11Å; F377-M418 HydrophobicContact CD2-CE 4.02Å; F377-M418 HydrophobicContact CG-CE 3.93Å; F377-M418 HydrophobicContact CG-SD 4.48Å |
| 378 | R | 95.5 | Very high | 92.6 | Very high | 132 Ų | 132 | 55.1 Ų | 55.1 | 50% | 0.498 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.4 | -71.1 | -174.6 | 66.5 | -179.7 | 1.8 | 112.8 | F374 E375 E381 K382 | F374-R378 VanDerWaalsContact CE1-CD 3.5Å; F374-R378 HydrophobicContact CE1-CG 4.11Å; F374-R378 HydrophobicContact CZ-CG 4.1Å; F374-R378 WeakPolarHBondContact O-CG 3.36Å; F374-R378 PolarHBondContact O-N 3.41Å; E375-R378 PolarHBondContact O-N 3.47Å; R378-E381 PolarHBondContact O-N 3.42Å; R378-K382 WeakPolarHBondContact O-CB 3.27Å; R378-K382 PolarHBondContact O-N 3.01Å |
| 379 | V | 95.2 | Very high | 92.9 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 39% | 0.394 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | E375 Q376 F377 K382 A383 | E375-V379 WeakPolarHBondContact O-CG2 3.44Å; E375-V379 PolarHBondContact O-N 2.97Å; Q376-V379 PolarHBondContact O-N 2.97Å; F377-V379 VanDerWaalsContact C-N 3.33Å; F377-V379 PolarHBondContact O-N 3.48Å; V379-K382 PolarHBondContact O-N 3.49Å; V379-A383 WeakPolarHBondContact O-CB 3.32Å; V379-A383 PolarHBondContact O-N 3.44Å |
| 380 | A | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q376 F377 A383 H384 Q410 Y411 | Q376-A380 WeakPolarHBondContact O-CB 3.35Å; Q376-A380 PolarHBondContact O-N 3.42Å; F377-A380 WeakPolarHBondContact O-CB 3.19Å; F377-A380 PolarHBondContact O-N 2.84Å; A380-A383 PolarHBondContact O-N 2.85Å; A380-H384 VanDerWaalsContact O-CB 3.31Å; A380-H384 WeakPolarHBondContact O-CB 3.37Å; A380-H384 PolarHBondContact O-N 3.29Å; A380-Q410 HydrophobicContact CB-CB 3.86Å; A380-Y411 HydrophobicContact CB-CD1 3.67Å; A380-Y411 HydrophobicContact CB-CD2 4.21Å; A380-Y411 HydrophobicContact CB-CE1 3.75Å; A380-Y411 HydrophobicContact CB-CE2 4.29Å; A380-Y411 HydrophobicContact CB-CG 3.9Å |
| 381 | E | 95.3 | Very high | 93 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 176.8 | -171.4 | -175.8 | -136.8 | 0 | 0 | 111.9 | P49 H351 F377 R378 A383 H384 G385 Y411 | P49-E381 HydrophobicContact CB-CG 4.29Å; P49-E381 HydrophobicContact CG-CG 3.95Å; H351-E381 IonicContact NE2-OE1 3.25Å; H351-E381 PolarHBondContact NE2-OE1 2.72Å; F377-E381 WeakPolarHBondContact O-CB 3.26Å; F377-E381 PolarHBondContact O-N 3.31Å; R378-E381 PolarHBondContact O-N 3.42Å; E381-A383 PolarHBondContact O-N 3.19Å; E381-H384 WeakPolarHBondContact O-CB 3.49Å; E381-H384 PolarHBondContact O-N 2.83Å; E381-G385 PolarHBondContact O-N 3.44Å; E381-Y411 WeakPolarHBondContact CA-OH 3.22Å |
| 382 | K | 94.5 | Very high | 92.9 | Very high | 166 Ų | 166 | 54 Ų | 54 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 175.6 | -173.2 | 178 | -179.3 | 179.8 | 0 | 111.9 | R378 V379 H384 G385 S386 | R378-K382 WeakPolarHBondContact O-CB 3.27Å; R378-K382 PolarHBondContact O-N 3.01Å; V379-K382 PolarHBondContact O-N 3.49Å; K382-H384 VanDerWaalsContact C-N 3.33Å; K382-G385 PolarHBondContact O-N 3.35Å; K382-S386 PolarHBondContact O-N 3.39Å; K382-S386 VanDerWaalsContact O-N 3.14Å; K382-S386 PolarHBondContact O-OG 3.4Å |
| 383 | A | 94.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V379 A380 E381 S386 W387 V407 | V379-A383 WeakPolarHBondContact O-CB 3.32Å; V379-A383 PolarHBondContact O-N 3.44Å; A380-A383 PolarHBondContact O-N 2.85Å; E381-A383 PolarHBondContact O-N 3.19Å; A383-S386 PolarHBondContact O-N 3.05Å; A383-W387 WeakPolarHBondContact O-CB 2.88Å; A383-W387 PolarHBondContact O-N 3.45Å; A383-V407 HydrophobicContact CB-CG2 3.73Å |
| 384 | H | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 171.9 | -173.2 | -175.6 | 0 | 0 | 0 | 111.2 | P49 A380 E381 K382 S386 W387 M388 V407 Y411 | P49-H384 HydrophobicContact CB-CB 4.29Å; P49-H384 HydrophobicContact CG-CB 4.49Å; A380-H384 VanDerWaalsContact O-CB 3.31Å; A380-H384 WeakPolarHBondContact O-CB 3.37Å; A380-H384 PolarHBondContact O-N 3.29Å; E381-H384 WeakPolarHBondContact O-CB 3.49Å; E381-H384 PolarHBondContact O-N 2.83Å; K382-H384 VanDerWaalsContact C-N 3.33Å; H384-S386 VanDerWaalsContact C-N 3.31Å; H384-S386 PolarHBondContact O-N 3.46Å; H384-W387 WeakPolarHBondContact O-CB 3.5Å; H384-W387 PolarHBondContact O-N 3.48Å; H384-M388 WeakPolarHBondContact O-CB 3.19Å; H384-M388 PolarHBondContact O-N 2.91Å; H384-V407 HydrophobicContact CB-CG1 3.88Å; H384-Y411 HydrophobicContact CB-CE2 3.9Å; H384-Y411 VanDerWaalsContact CB-OH 3.26Å; H384-Y411 WeakPolarHBondContact CB-OH 2.86Å; H384-Y411 AromaticContact ND1-CE2 3.77Å; H384-Y411 AromaticContact ND1-CZ 3.81Å; H384-Y411 PolarHBondContact ND1-OH 3.44Å |
| 385 | G | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A51 E381 K382 M388 K389 | A51-G385 PolarHBondContact N-O 2.87Å; E381-G385 PolarHBondContact O-N 3.44Å; K382-G385 PolarHBondContact O-N 3.35Å; G385-M388 PolarHBondContact O-N 3.41Å; G385-K389 PolarHBondContact O-N 2.83Å; G385-K389 VanDerWaalsContact O-N 3.12Å |
| 386 | S | 92.2 | Very high | 90.6 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 174.2 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | K382 A383 H384 K389 L390 | K382-S386 PolarHBondContact O-N 3.39Å; K382-S386 VanDerWaalsContact O-N 3.14Å; K382-S386 PolarHBondContact O-OG 3.4Å; A383-S386 PolarHBondContact O-N 3.05Å; H384-S386 VanDerWaalsContact C-N 3.31Å; H384-S386 PolarHBondContact O-N 3.46Å; S386-K389 PolarHBondContact O-N 3.37Å; S386-L390 PolarHBondContact O-N 3.26Å |
| 387 | W | 93.6 | Very high | 90 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.8 | 179.5 | 87.3 | 0 | 0 | 0 | 111.2 | M343 R344 L347 A383 H384 K389 L390 Y391 L400 M403 | M343-W387 HydrophobicContact CB-CH2 4.27Å; M343-W387 HydrophobicContact CB-CZ2 3.97Å; M343-W387 HydrophobicContact CG-CH2 4.25Å; M343-W387 HydrophobicContact CG-CZ2 3.72Å; R344-W387 HydrophobicContact CB-CH2 3.87Å; R344-W387 HydrophobicContact CB-CZ3 4.01Å; R344-W387 HydrophobicContact CG-CZ3 4.44Å; L347-W387 HydrophobicContact CD1-CD2 3.8Å; L347-W387 HydrophobicContact CD1-CE3 3.68Å; L347-W387 HydrophobicContact CD1-CG 4.35Å; L347-W387 HydrophobicContact CD1-CH2 4.42Å; L347-W387 HydrophobicContact CD1-CZ3 4.01Å; A383-W387 WeakPolarHBondContact O-CB 2.88Å; A383-W387 PolarHBondContact O-N 3.45Å; H384-W387 WeakPolarHBondContact O-CB 3.5Å; H384-W387 PolarHBondContact O-N 3.48Å; W387-K389 VanDerWaalsContact C-N 3.34Å; W387-K389 PolarHBondContact O-N 3.14Å; W387-L390 PolarHBondContact O-N 3.33Å; W387-Y391 AromaticContact CH2-CD2 3.9Å; W387-Y391 HydrophobicContact CH2-CD2 3.9Å; W387-Y391 HydrophobicContact CH2-CE2 4.4Å; W387-Y391 HydrophobicContact CH2-CG 4.04Å; W387-Y391 HydrophobicContact CZ2-CD2 4.15Å; W387-Y391 HydrophobicContact CZ3-CG 4.23Å; W387-Y391 WeakPolarHBondContact O-CB 3.39Å; W387-Y391 PolarHBondContact O-N 2.89Å; W387-L400 VanDerWaalsContact CD1-CD1 3.42Å; W387-L400 HydrophobicContact CD2-CD1 4.5Å; W387-L400 HydrophobicContact CG-CD1 4.08Å; W387-L400 PolarHBondContact NE1-O 3.24Å; W387-M403 HydrophobicContact CB-CE 3.99Å; W387-M403 HydrophobicContact CB-CG 4.46Å; W387-M403 HydrophobicContact CB-SD 4.29Å |
| 388 | M | 90.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.015 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 178.5 | -171.4 | 62.6 | 61.5 | 0 | 0 | 111.9 | E48 P49 L50 R344 H384 G385 Y391 L392 | E48-M388 HydrophobicContact CG-CE 3.93Å; E48-M388 WeakPolarHBondContact OE1-CE 3.44Å; P49-M388 WeakPolarHBondContact O-CB 3.05Å; L50-M388 HydrophobicContact CD1-CB 4.05Å; L50-M388 HydrophobicContact CD1-CG 3.54Å; R344-M388 HydrophobicContact CG-CE 4.01Å; H384-M388 WeakPolarHBondContact O-CB 3.19Å; H384-M388 PolarHBondContact O-N 2.91Å; G385-M388 PolarHBondContact O-N 3.41Å; M388-Y391 PolarHBondContact O-N 3.28Å; M388-Y391 HydrophobicContact SD-CD1 4.17Å; M388-L392 HydrophobicContact CG-CD1 4.13Å; M388-L392 HydrophobicContact CG-CG 4.39Å; M388-L392 WeakPolarHBondContact O-CB 3.48Å; M388-L392 WeakPolarHBondContact O-CG 3.49Å; M388-L392 PolarHBondContact O-N 3Å; M388-L392 HydrophobicContact SD-CG 4.37Å |
| 389 | K | 88.9 | Confident | 89 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57 | -51.9 | 176 | -179.2 | 179.5 | 174.1 | -179 | 0 | 111.5 | A51 G385 S386 W387 Y391 L392 E393 | A51-K389 HydrophobicContact CB-CB 4.38Å; A51-K389 HydrophobicContact CB-CD 4.39Å; G385-K389 PolarHBondContact O-N 2.83Å; G385-K389 VanDerWaalsContact O-N 3.12Å; S386-K389 PolarHBondContact O-N 3.37Å; W387-K389 VanDerWaalsContact C-N 3.34Å; W387-K389 PolarHBondContact O-N 3.14Å; K389-Y391 VanDerWaalsContact C-N 3.32Å; K389-Y391 PolarHBondContact O-N 2.57Å; K389-L392 PolarHBondContact O-N 3.12Å; K389-E393 WeakPolarHBondContact CE-OE1 3.41Å; K389-E393 WeakPolarHBondContact CG-OE1 3.46Å; K389-E393 WeakPolarHBondContact O-CG 3.2Å; K389-E393 PolarHBondContact O-N 3.05Å |
| 390 | L | 88.8 | Confident | 88.7 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 28% | 0.277 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 178.8 | -67.5 | 174.1 | 0 | 0 | 0 | 112.6 | S386 W387 E393 G394 N395 L400 M403 | S386-L390 PolarHBondContact O-N 3.26Å; W387-L390 PolarHBondContact O-N 3.33Å; L390-E393 PolarHBondContact O-N 3.2Å; L390-G394 PolarHBondContact O-N 2.7Å; L390-N395 HydrophobicContact CB-CB 4.44Å; L390-N395 VanDerWaalsContact O-CB 3.25Å; L390-N395 WeakPolarHBondContact O-CB 3.4Å; L390-N395 PolarHBondContact O-N 2.66Å; L390-N395 VanDerWaalsContact O-N 3.16Å; L390-L400 HydrophobicContact CB-CD1 3.67Å; L390-L400 HydrophobicContact CD1-CD1 4.32Å; L390-M403 HydrophobicContact CD1-SD 4.03Å |
| 391 | Y | 88.4 | Confident | 88.4 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.6 | 176.9 | -97.9 | 0 | 0 | 0 | 111.9 | W387 M388 K389 G394 L400 | W387-Y391 AromaticContact CH2-CD2 3.9Å; W387-Y391 HydrophobicContact CH2-CD2 3.9Å; W387-Y391 HydrophobicContact CH2-CE2 4.4Å; W387-Y391 HydrophobicContact CH2-CG 4.04Å; W387-Y391 HydrophobicContact CZ2-CD2 4.15Å; W387-Y391 HydrophobicContact CZ3-CG 4.23Å; W387-Y391 WeakPolarHBondContact O-CB 3.39Å; W387-Y391 PolarHBondContact O-N 2.89Å; M388-Y391 PolarHBondContact O-N 3.28Å; M388-Y391 HydrophobicContact SD-CD1 4.17Å; K389-Y391 VanDerWaalsContact C-N 3.32Å; K389-Y391 PolarHBondContact O-N 2.57Å; Y391-G394 PolarHBondContact O-N 2.95Å; Y391-L400 HydrophobicContact CD2-CD2 4.23Å |
| 392 | L | 86.8 | Confident | 88.2 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.8 | -28 | 177.6 | -68.6 | 176.8 | 0 | 0 | 0 | 113.2 | L50 M388 K389 G394 | L50-L392 HydrophobicContact CD1-CD1 3.67Å; M388-L392 HydrophobicContact CG-CD1 4.13Å; M388-L392 HydrophobicContact CG-CG 4.39Å; M388-L392 WeakPolarHBondContact O-CB 3.48Å; M388-L392 WeakPolarHBondContact O-CG 3.49Å; M388-L392 PolarHBondContact O-N 3Å; M388-L392 HydrophobicContact SD-CG 4.37Å; K389-L392 PolarHBondContact O-N 3.12Å; L392-G394 PolarHBondContact O-N 3.15Å |
| 393 | E | 86.9 | Confident | 88.2 | Confident | 125 Ų | 125 | 62.8 Ų | 62.8 | 58% | 0.584 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -0.8 | 171.4 | -72 | 169.2 | -179.4 | 0 | 0 | 112.9 | K389 L390 | K389-E393 WeakPolarHBondContact CE-OE1 3.41Å; K389-E393 WeakPolarHBondContact CG-OE1 3.46Å; K389-E393 WeakPolarHBondContact O-CG 3.2Å; K389-E393 PolarHBondContact O-N 3.05Å; L390-E393 PolarHBondContact O-N 3.2Å |
| 394 | G | 78.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 58% | 0.577 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 18.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L390 Y391 L392 T396 | L390-G394 PolarHBondContact O-N 2.7Å; Y391-G394 PolarHBondContact O-N 2.95Å; L392-G394 PolarHBondContact O-N 3.15Å; G394-T396 PolarHBondContact O-N 2.85Å |
| 395 | N | 80.5 | Confident | 88.1 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 32% | 0.316 | 37% | 0.366 | S | S | . | . | trans | -70 | 123.5 | 179.1 | -169.7 | -25.1 | 0 | 0 | 0 | 110.8 | L390 S397 L400 | L390-N395 HydrophobicContact CB-CB 4.44Å; L390-N395 VanDerWaalsContact O-CB 3.25Å; L390-N395 WeakPolarHBondContact O-CB 3.4Å; L390-N395 PolarHBondContact O-N 2.66Å; L390-N395 VanDerWaalsContact O-N 3.16Å; N395-S397 WeakPolarHBondContact OD1-CB 3.48Å; N395-S397 PolarHBondContact OD1-N 2.88Å; N395-S397 PolarHBondContact OD1-OG 3.25Å; N395-L400 WeakPolarHBondContact O-CD2 3.5Å | ||
| 396 | T | 75.9 | Confident | 88.3 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 82% | 0.822 | 39% | 0.393 | S | S | * | . | trans | -111.3 | 15.4 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | G394 | G394-T396 PolarHBondContact O-N 2.85Š| ||
| 397 | S | 83 | Confident | 88.5 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | trans | -64.7 | 154.1 | -176 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | N395 V399 L400 T401 | N395-S397 WeakPolarHBondContact OD1-CB 3.48Å; N395-S397 PolarHBondContact OD1-N 2.88Å; N395-S397 PolarHBondContact OD1-OG 3.25Å; S397-V399 PolarHBondContact O-N 3.46Å; S397-V399 VanDerWaalsContact O-N 3.14Å; S397-L400 PolarHBondContact O-N 3.48Å; S397-L400 PolarHBondContact OG-N 3.44Å; S397-T401 PolarHBondContact O-N 2.85Å | ||
| 398 | E | 86.1 | Confident | 88.7 | Confident | 151 Ų | 151 | 73.3 Ų | 73.3 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -54.6 | -30.6 | 169.2 | -163.4 | -172.1 | 159.6 | 0 | 0 | 111.4 | L400 T401 N402 | E398-L400 PolarHBondContact O-N 2.94Å; E398-T401 PolarHBondContact O-N 2.98Å; E398-N402 WeakPolarHBondContact O-CB 3.45Å; E398-N402 PolarHBondContact O-N 3.24Å; E398-N402 PolarHBondContact O-ND2 3.14Å |
| 399 | V | 84.1 | Confident | 89 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.3 | -43.6 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | S397 N402 M403 | S397-V399 PolarHBondContact O-N 3.46Å; S397-V399 VanDerWaalsContact O-N 3.14Å; V399-N402 PolarHBondContact O-N 3.33Å; V399-M403 VanDerWaalsContact O-CB 3.23Å; V399-M403 WeakPolarHBondContact O-CB 3.26Å; V399-M403 PolarHBondContact O-N 3.24Å |
| 400 | L | 89.3 | Confident | 89.4 | Confident | 12 Ų | 12 | 76.3 Ų | 76.3 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 177.5 | -173.9 | 68.7 | 0 | 0 | 0 | 111.7 | W387 L390 Y391 N395 S397 E398 M403 G404 | W387-L400 VanDerWaalsContact CD1-CD1 3.42Å; W387-L400 HydrophobicContact CD2-CD1 4.5Å; W387-L400 HydrophobicContact CG-CD1 4.08Å; W387-L400 PolarHBondContact NE1-O 3.24Å; L390-L400 HydrophobicContact CB-CD1 3.67Å; L390-L400 HydrophobicContact CD1-CD1 4.32Å; Y391-L400 HydrophobicContact CD2-CD2 4.23Å; N395-L400 WeakPolarHBondContact O-CD2 3.5Å; S397-L400 PolarHBondContact O-N 3.48Å; S397-L400 PolarHBondContact OG-N 3.44Å; E398-L400 PolarHBondContact O-N 2.94Å; L400-M403 PolarHBondContact O-N 3.29Å; L400-G404 PolarHBondContact O-N 3.1Å |
| 401 | T | 89.6 | Confident | 89.8 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 177.3 | -60 | 0 | 0 | 0 | 0 | 111.1 | S397 E398 M403 G404 K405 | S397-T401 PolarHBondContact O-N 2.85Å; E398-T401 PolarHBondContact O-N 2.98Å; T401-M403 VanDerWaalsContact C-N 3.34Å; T401-M403 PolarHBondContact O-N 2.63Å; T401-G404 PolarHBondContact O-N 2.78Å; T401-K405 WeakPolarHBondContact O-CG 3.44Å; T401-K405 PolarHBondContact O-N 3.08Å |
| 402 | N | 92.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 41% | 0.406 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 177.9 | -72.1 | -22.2 | 0 | 0 | 0 | 111.8 | E398 V399 K406 | E398-N402 WeakPolarHBondContact O-CB 3.45Å; E398-N402 PolarHBondContact O-N 3.24Å; E398-N402 PolarHBondContact O-ND2 3.14Å; V399-N402 PolarHBondContact O-N 3.33Å; N402-K406 WeakPolarHBondContact O-CB 3.5Å; N402-K406 PolarHBondContact O-N 3.49Å |
| 403 | M | 93.5 | Very high | 90.7 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 25% | 0.251 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 171.6 | -174.2 | 177.6 | 178.6 | 0 | 0 | 111.3 | W387 L390 V399 L400 T401 K405 K406 V407 | W387-M403 HydrophobicContact CB-CE 3.99Å; W387-M403 HydrophobicContact CB-CG 4.46Å; W387-M403 HydrophobicContact CB-SD 4.29Å; L390-M403 HydrophobicContact CD1-SD 4.03Å; V399-M403 VanDerWaalsContact O-CB 3.23Å; V399-M403 WeakPolarHBondContact O-CB 3.26Å; V399-M403 PolarHBondContact O-N 3.24Å; L400-M403 PolarHBondContact O-N 3.29Å; T401-M403 VanDerWaalsContact C-N 3.34Å; T401-M403 PolarHBondContact O-N 2.63Å; M403-K405 PolarHBondContact O-N 3.21Å; M403-K406 WeakPolarHBondContact O-CB 3.24Å; M403-K406 PolarHBondContact O-N 2.82Å; M403-K406 VanDerWaalsContact O-N 3.13Å; M403-V407 WeakPolarHBondContact O-CG2 3.47Å; M403-V407 PolarHBondContact O-N 3.04Å |
| 404 | G | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M343 L400 T401 K406 V407 L408 | M343-G404 VanDerWaalsContact SD-C 3.58Å; L400-G404 PolarHBondContact O-N 3.1Å; T401-G404 PolarHBondContact O-N 2.78Å; G404-K406 VanDerWaalsContact C-N 3.29Å; G404-K406 PolarHBondContact O-N 3.11Å; G404-V407 PolarHBondContact O-N 2.9Å; G404-L408 WeakPolarHBondContact O-CB 3.33Å; G404-L408 PolarHBondContact O-N 2.81Å |
| 405 | K | 95.1 | Very high | 92 | Very high | 125 Ų | 125 | 63 Ų | 63 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 174.2 | -71 | 176.1 | -179.3 | 176 | 0 | 112.5 | T401 M403 K409 | T401-K405 WeakPolarHBondContact O-CG 3.44Å; T401-K405 PolarHBondContact O-N 3.08Å; M403-K405 PolarHBondContact O-N 3.21Å; K405-K409 PolarHBondContact O-N 3.26Å; K405-K409 VanDerWaalsContact O-N 3.08Å |
| 406 | K | 96.5 | Very high | 92.7 | Very high | 137 Ų | 137 | 61.7 Ų | 61.7 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.2 | -46.3 | 175.8 | -175.5 | 179.3 | 178.9 | 179.2 | 0 | 111.5 | N402 M403 G404 L408 K409 Q410 | N402-K406 WeakPolarHBondContact O-CB 3.5Å; N402-K406 PolarHBondContact O-N 3.49Å; M403-K406 WeakPolarHBondContact O-CB 3.24Å; M403-K406 PolarHBondContact O-N 2.82Å; M403-K406 VanDerWaalsContact O-N 3.13Å; G404-K406 VanDerWaalsContact C-N 3.29Å; G404-K406 PolarHBondContact O-N 3.11Å; K406-L408 VanDerWaalsContact C-N 3.35Å; K406-K409 PolarHBondContact O-N 3.45Å; K406-Q410 VanDerWaalsContact O-CG 3.32Å; K406-Q410 WeakPolarHBondContact O-CG 3.45Å; K406-Q410 PolarHBondContact O-N 3.45Å |
| 407 | V | 96.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 178.1 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | L347 A383 H384 M403 G404 K409 Q410 Y411 | L347-V407 HydrophobicContact CD1-CB 4.34Å; L347-V407 HydrophobicContact CD1-CG1 4.16Å; L347-V407 HydrophobicContact CD2-CB 4.06Å; L347-V407 HydrophobicContact CD2-CG1 3.83Å; A383-V407 HydrophobicContact CB-CG2 3.73Å; H384-V407 HydrophobicContact CB-CG1 3.88Å; M403-V407 WeakPolarHBondContact O-CG2 3.47Å; M403-V407 PolarHBondContact O-N 3.04Å; G404-V407 PolarHBondContact O-N 2.9Å; V407-K409 PolarHBondContact O-N 3.29Å; V407-Q410 PolarHBondContact O-N 2.78Å; V407-Y411 HydrophobicContact CG1-CD2 3.78Å; V407-Y411 HydrophobicContact CG1-CE2 3.56Å; V407-Y411 WeakPolarHBondContact O-CD2 3.45Å; V407-Y411 PolarHBondContact O-N 3.06Å |
| 408 | L | 96.9 | Very high | 94.1 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.3 | -51.3 | 174.6 | -175.5 | 82.8 | 0 | 0 | 0 | 110.8 | M343 Q346 L347 L350 G404 K406 Q410 Y411 L412 | M343-L408 HydrophobicContact CE-CB 4.4Å; M343-L408 HydrophobicContact CE-CD1 3.89Å; M343-L408 HydrophobicContact CE-CD2 4.16Å; M343-L408 HydrophobicContact CE-CG 4.39Å; Q346-L408 HydrophobicContact CB-CD1 3.89Å; L347-L408 HydrophobicContact CD2-CB 3.93Å; L347-L408 HydrophobicContact CD2-CD1 4.18Å; L350-L408 HydrophobicContact CD1-CD1 3.46Å; L350-L408 VanDerWaalsContact CD1-CD1 3.46Å; L350-L408 HydrophobicContact CD1-CG 4.21Å; G404-L408 WeakPolarHBondContact O-CB 3.33Å; G404-L408 PolarHBondContact O-N 2.81Å; K406-L408 VanDerWaalsContact C-N 3.35Å; L408-Q410 VanDerWaalsContact C-N 3.34Å; L408-Q410 PolarHBondContact O-N 3.33Å; L408-Y411 PolarHBondContact O-N 2.96Å; L408-L412 HydrophobicContact CG-CD1 4.41Å; L408-L412 WeakPolarHBondContact O-CG 3.46Å; L408-L412 PolarHBondContact O-N 2.99Å |
| 409 | K | 96.8 | Very high | 94.4 | Very high | 126 Ų | 126 | 48.2 Ų | 48.2 | 55% | 0.548 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 177.4 | -177.5 | 174.6 | 172.9 | 175.7 | 0 | 112 | K405 K406 V407 Y411 L412 E413 | K405-K409 PolarHBondContact O-N 3.26Å; K405-K409 VanDerWaalsContact O-N 3.08Å; K406-K409 PolarHBondContact O-N 3.45Å; V407-K409 PolarHBondContact O-N 3.29Å; K409-Y411 VanDerWaalsContact C-N 3.35Å; K409-Y411 PolarHBondContact O-N 2.97Å; K409-L412 PolarHBondContact O-N 3.34Å; K409-E413 WeakPolarHBondContact CE-OE1 3.41Å; K409-E413 IonicContact NZ-OE1 2.78Å; K409-E413 WeakPolarHBondContact O-CG 3.27Å; K409-E413 PolarHBondContact O-N 3Å |
| 410 | Q | 97.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.5 | -72.6 | 175.6 | -41.3 | 0 | 0 | 112.4 | A380 K406 V407 L408 A414 | A380-Q410 HydrophobicContact CB-CB 3.86Å; K406-Q410 VanDerWaalsContact O-CG 3.32Å; K406-Q410 WeakPolarHBondContact O-CG 3.45Å; K406-Q410 PolarHBondContact O-N 3.45Å; V407-Q410 PolarHBondContact O-N 2.78Å; L408-Q410 VanDerWaalsContact C-N 3.34Å; L408-Q410 PolarHBondContact O-N 3.33Å; Q410-A414 WeakPolarHBondContact O-CB 3.4Å; Q410-A414 PolarHBondContact O-N 3.41Å |
| 411 | Y | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 175 | -84.5 | -60.9 | 0 | 0 | 0 | 112.4 | L347 L350 H351 F377 A380 E381 H384 V407 L408 K409 E413 A414 L415 | L347-Y411 HydrophobicContact CD2-CD2 4.11Å; L347-Y411 HydrophobicContact CD2-CE2 4.37Å; L350-Y411 HydrophobicContact CB-CD1 4.5Å; L350-Y411 HydrophobicContact CB-CD2 4.31Å; L350-Y411 HydrophobicContact CB-CG 3.99Å; H351-Y411 HydrophobicContact CB-CE1 4.2Å; F377-Y411 HydrophobicContact CD2-CD1 4.1Å; F377-Y411 AromaticContact CD2-CE1 3.96Å; F377-Y411 HydrophobicContact CD2-CE1 3.96Å; F377-Y411 HydrophobicContact CE2-CD1 4.19Å; F377-Y411 AromaticContact CE2-CE1 3.74Å; F377-Y411 HydrophobicContact CE2-CE1 3.74Å; A380-Y411 HydrophobicContact CB-CD1 3.67Å; A380-Y411 HydrophobicContact CB-CD2 4.21Å; A380-Y411 HydrophobicContact CB-CE1 3.75Å; A380-Y411 HydrophobicContact CB-CE2 4.29Å; A380-Y411 HydrophobicContact CB-CG 3.9Å; E381-Y411 WeakPolarHBondContact CA-OH 3.22Å; H384-Y411 HydrophobicContact CB-CE2 3.9Å; H384-Y411 VanDerWaalsContact CB-OH 3.26Å; H384-Y411 WeakPolarHBondContact CB-OH 2.86Å; H384-Y411 AromaticContact ND1-CE2 3.77Å; H384-Y411 AromaticContact ND1-CZ 3.81Å; H384-Y411 PolarHBondContact ND1-OH 3.44Å; V407-Y411 HydrophobicContact CG1-CD2 3.78Å; V407-Y411 HydrophobicContact CG1-CE2 3.56Å; V407-Y411 WeakPolarHBondContact O-CD2 3.45Å; V407-Y411 PolarHBondContact O-N 3.06Å; L408-Y411 PolarHBondContact O-N 2.96Å; K409-Y411 VanDerWaalsContact C-N 3.35Å; K409-Y411 PolarHBondContact O-N 2.97Å; Y411-E413 VanDerWaalsContact C-N 3.32Å; Y411-E413 PolarHBondContact O-N 3.45Å; Y411-A414 PolarHBondContact O-N 3.03Å; Y411-L415 WeakPolarHBondContact O-CB 3.33Å; Y411-L415 WeakPolarHBondContact O-CD1 3.39Å; Y411-L415 VanDerWaalsContact O-CG 3.26Å; Y411-L415 WeakPolarHBondContact O-CG 3.46Å; Y411-L415 PolarHBondContact O-N 2.91Å |
| 412 | L | 96.8 | Very high | 94.2 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 30% | 0.304 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -42 | 179 | -69.2 | 174.1 | 0 | 0 | 0 | 111.8 | P335 L350 L408 K409 A416 | P335-L412 HydrophobicContact CB-CD2 4.29Å; P335-L412 HydrophobicContact CG-CD2 3.66Å; L350-L412 HydrophobicContact CD1-CD2 4.09Å; L350-L412 HydrophobicContact CD1-CG 4.12Å; L350-L412 HydrophobicContact CD2-CD2 3.79Å; L408-L412 HydrophobicContact CG-CD1 4.41Å; L408-L412 WeakPolarHBondContact O-CG 3.46Å; L408-L412 PolarHBondContact O-N 2.99Å; K409-L412 PolarHBondContact O-N 3.34Å; L412-A416 WeakPolarHBondContact O-CB 3.19Å; L412-A416 PolarHBondContact O-N 3.47Å |
| 413 | E | 96.8 | Very high | 93.6 | Very high | 92 Ų | 92 | 39.7 Ų | 39.7 | 43% | 0.43 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -45.5 | 174.6 | -72 | 172.5 | 178.5 | 0 | 0 | 111.5 | K409 Y411 A416 A417 | K409-E413 WeakPolarHBondContact CE-OE1 3.41Å; K409-E413 IonicContact NZ-OE1 2.78Å; K409-E413 WeakPolarHBondContact O-CG 3.27Å; K409-E413 PolarHBondContact O-N 3Å; Y411-E413 VanDerWaalsContact C-N 3.32Å; Y411-E413 PolarHBondContact O-N 3.45Å; E413-A416 PolarHBondContact O-N 2.86Å; E413-A417 WeakPolarHBondContact O-CB 3.33Å; E413-A417 PolarHBondContact O-N 3.4Å |
| 414 | A | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q376 F377 Q410 Y411 A417 M418 | Q376-A414 HydrophobicContact CB-CB 3.76Å; F377-A414 HydrophobicContact CB-CB 4Å; Q410-A414 WeakPolarHBondContact O-CB 3.4Å; Q410-A414 PolarHBondContact O-N 3.41Å; Y411-A414 PolarHBondContact O-N 3.03Å; A414-A417 PolarHBondContact O-N 2.72Å; A414-M418 WeakPolarHBondContact O-CB 3.13Å; A414-M418 WeakPolarHBondContact O-CG 3.46Å; A414-M418 PolarHBondContact O-N 2.93Å |
| 415 | L | 96.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 175.8 | -77.1 | 158.5 | 0 | 0 | 0 | 111.1 | R332 L350 N353 L357 Y411 A417 M418 S419 | R332-L415 HydrophobicContact CB-CB 4.44Å; L350-L415 HydrophobicContact CB-CD1 4.14Å; L350-L415 HydrophobicContact CD2-CD1 3.59Å; L350-L415 HydrophobicContact CG-CD1 4.38Å; N353-L415 HydrophobicContact CB-CD2 3.94Å; N353-L415 VanDerWaalsContact OD1-CD2 3.26Å; N353-L415 WeakPolarHBondContact OD1-CD2 3.26Å; L357-L415 HydrophobicContact CD1-CD2 3.7Å; Y411-L415 WeakPolarHBondContact O-CB 3.33Å; Y411-L415 WeakPolarHBondContact O-CD1 3.39Å; Y411-L415 VanDerWaalsContact O-CG 3.26Å; Y411-L415 WeakPolarHBondContact O-CG 3.46Å; Y411-L415 PolarHBondContact O-N 2.91Å; L415-A417 PolarHBondContact O-N 3.22Å; L415-M418 PolarHBondContact O-N 3.3Å; L415-S419 WeakPolarHBondContact O-CB 3.25Å; L415-S419 PolarHBondContact O-N 3.25Å |
| 416 | A | 95.1 | Very high | 89.8 | Confident | 32 Ų | 32 | 42 Ų | 42 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L412 E413 S420 | L412-A416 WeakPolarHBondContact O-CB 3.19Å; L412-A416 PolarHBondContact O-N 3.47Å; E413-A416 PolarHBondContact O-N 2.86Å; A416-S420 WeakPolarHBondContact O-CB 3.48Å; A416-S420 PolarHBondContact O-N 3.25Å |
| 417 | A | 94.4 | Very high | 88 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E413 A414 L415 A421 | E413-A417 WeakPolarHBondContact O-CB 3.33Å; E413-A417 PolarHBondContact O-N 3.4Å; A414-A417 PolarHBondContact O-N 2.72Å; L415-A417 PolarHBondContact O-N 3.22Å; A417-A421 WeakPolarHBondContact O-CB 3.4Å; A417-A421 PolarHBondContact O-N 3.07Å |
| 418 | M | 93.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -45.8 | 176.9 | -71.2 | -170.1 | -67.7 | 0 | 0 | 112.1 | L357 L361 G373 F377 A414 L415 S420 A421 L422 | L357-M418 HydrophobicContact CB-CB 4.26Å; L357-M418 HydrophobicContact CB-CE 4.06Å; L357-M418 HydrophobicContact CB-SD 4.35Å; L357-M418 HydrophobicContact CD1-CB 4.31Å; L361-M418 HydrophobicContact CD2-CG 4.39Å; G373-M418 VanDerWaalsContact C-CG 3.46Å; F377-M418 HydrophobicContact CB-CE 3.79Å; F377-M418 HydrophobicContact CB-SD 4.11Å; F377-M418 HydrophobicContact CD2-CE 4.02Å; F377-M418 HydrophobicContact CG-CE 3.93Å; F377-M418 HydrophobicContact CG-SD 4.48Å; A414-M418 WeakPolarHBondContact O-CB 3.13Å; A414-M418 WeakPolarHBondContact O-CG 3.46Å; A414-M418 PolarHBondContact O-N 2.93Å; L415-M418 PolarHBondContact O-N 3.3Å; M418-S420 VanDerWaalsContact C-N 3.32Å; M418-S420 PolarHBondContact O-N 2.76Å; M418-A421 PolarHBondContact O-N 3.4Å; M418-L422 WeakPolarHBondContact O-CB 3.36Å; M418-L422 WeakPolarHBondContact O-CG 3.24Å; M418-L422 PolarHBondContact O-N 2.89Å |
| 419 | S | 92 | Very high | 85.8 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | V330 L415 L422 S423 | V330-S419 VanDerWaalsContact O-CB 3.28Å; V330-S419 WeakPolarHBondContact O-CB 3.33Å; V330-S419 PolarHBondContact O-OG 3.31Å; L415-S419 WeakPolarHBondContact O-CB 3.25Å; L415-S419 PolarHBondContact O-N 3.25Å; S419-L422 PolarHBondContact O-N 2.85Å; S419-S423 VanDerWaalsContact O-CB 3.26Å; S419-S423 WeakPolarHBondContact O-CB 3.39Å; S419-S423 PolarHBondContact O-N 3.35Å; S419-S423 PolarHBondContact O-OG 2.57Å |
| 420 | S | 88.7 | Confident | 85.2 | Confident | 62 Ų | 62 | 35.9 Ų | 35.9 | 43% | 0.434 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64 | -43.6 | 174.7 | -178 | 0 | 0 | 0 | 0 | 112.2 | A416 M418 S423 R424 | A416-S420 WeakPolarHBondContact O-CB 3.48Å; A416-S420 PolarHBondContact O-N 3.25Å; M418-S420 VanDerWaalsContact C-N 3.32Å; M418-S420 PolarHBondContact O-N 2.76Å; S420-S423 PolarHBondContact O-N 3.01Å; S420-R424 WeakPolarHBondContact O-CG 3.26Å; S420-R424 PolarHBondContact O-N 2.96Å; S420-R424 VanDerWaalsContact O-N 3.07Å |
| 421 | A | 85.7 | Confident | 84.6 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L361 A417 M418 S423 R424 Q425 | L361-A421 HydrophobicContact CD1-CB 4.32Å; A417-A421 WeakPolarHBondContact O-CB 3.4Å; A417-A421 PolarHBondContact O-N 3.07Å; M418-A421 PolarHBondContact O-N 3.4Å; A421-S423 PolarHBondContact O-N 3.32Å; A421-R424 WeakPolarHBondContact O-CB 3.29Å; A421-R424 PolarHBondContact O-N 2.66Å; A421-Q425 WeakPolarHBondContact O-CG 2.9Å; A421-Q425 PolarHBondContact O-N 3.31Å |
| 422 | L | 84.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.1 | -74.4 | 165.5 | 0 | 0 | 0 | 112.4 | V330 L357 L360 L361 M418 S419 R424 Q425 L426 | V330-L422 HydrophobicContact CB-CB 4.46Å; V330-L422 HydrophobicContact CG1-CB 3.98Å; L357-L422 HydrophobicContact CB-CD1 4.37Å; L357-L422 HydrophobicContact CD2-CD1 3.86Å; L360-L422 HydrophobicContact CB-CD1 4.33Å; L360-L422 HydrophobicContact CB-CD2 4.47Å; L360-L422 HydrophobicContact CD2-CD1 3.98Å; L360-L422 HydrophobicContact CD2-CD2 4.29Å; L360-L422 HydrophobicContact CG-CD1 4.18Å; L360-L422 HydrophobicContact CG-CD2 3.87Å; L361-L422 HydrophobicContact CB-CD2 4.22Å; L361-L422 HydrophobicContact CB-CG 4.49Å; L361-L422 HydrophobicContact CD1-CD2 3.9Å; L361-L422 HydrophobicContact CD1-CG 3.98Å; M418-L422 WeakPolarHBondContact O-CB 3.36Å; M418-L422 WeakPolarHBondContact O-CG 3.24Å; M418-L422 PolarHBondContact O-N 2.89Å; S419-L422 PolarHBondContact O-N 2.85Å; L422-R424 PolarHBondContact O-N 3.04Å; L422-Q425 WeakPolarHBondContact O-CB 3.33Å; L422-Q425 PolarHBondContact O-N 3.28Å; L422-L426 PolarHBondContact O-N 2.8Å |
| 423 | S | 80.1 | Confident | 83.8 | Confident | 20 Ų | 20 | 36 Ų | 36 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -32 | 176 | -65 | 0 | 0 | 0 | 0 | 112.8 | S419 S420 A421 | S419-S423 VanDerWaalsContact O-CB 3.26Å; S419-S423 WeakPolarHBondContact O-CB 3.39Å; S419-S423 PolarHBondContact O-N 3.35Å; S419-S423 PolarHBondContact O-OG 2.57Å; S420-S423 PolarHBondContact O-N 3.01Å; A421-S423 PolarHBondContact O-N 3.32Å |
| 424 | R | 74.1 | Confident | 83.6 | Confident | 170 Ų | 170 | 31.6 Ų | 31.6 | 64% | 0.642 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -74 | -30.5 | 173 | -69.1 | -177.8 | -59.8 | -168 | 4 | 112.5 | S420 A421 L422 L426 G427 | S420-R424 WeakPolarHBondContact O-CG 3.26Å; S420-R424 PolarHBondContact O-N 2.96Å; S420-R424 VanDerWaalsContact O-N 3.07Å; A421-R424 WeakPolarHBondContact O-CB 3.29Å; A421-R424 PolarHBondContact O-N 2.66Å; L422-R424 PolarHBondContact O-N 3.04Å; R424-L426 VanDerWaalsContact C-N 3.33Å; R424-G427 PolarHBondContact O-N 3.33Å |
| 425 | Q | 67 | Low | 83.4 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.6 | -24.5 | 179.8 | -62.6 | -144.6 | -2.9 | 0 | 0 | 113.9 | S364 T365 A421 L422 G427 K428 | S364-Q425 PolarHBondContact O-OE1 3.36Å; T365-Q425 VanDerWaalsContact CG2-NE2 3.31Å; T365-Q425 VanDerWaalsContact OG1-CD 3.26Å; T365-Q425 PolarHBondContact OG1-NE2 2.69Å; T365-Q425 PolarHBondContact OG1-OE1 3.19Å; A421-Q425 WeakPolarHBondContact O-CG 2.9Å; A421-Q425 PolarHBondContact O-N 3.31Å; L422-Q425 WeakPolarHBondContact O-CB 3.33Å; L422-Q425 PolarHBondContact O-N 3.28Å; Q425-G427 PolarHBondContact O-N 3.05Å; Q425-K428 HydrophobicContact CB-CD 4.49Å; Q425-K428 WeakPolarHBondContact O-CB 3.38Å; Q425-K428 WeakPolarHBondContact O-CG 3.35Å; Q425-K428 PolarHBondContact O-N 2.64Å |
| 426 | L | 60.8 | Low | 83.2 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -8.5 | 168.7 | -80.5 | 146.6 | 0 | 0 | 0 | 113.1 | P29 V32 I127 V330 L422 R424 | P29-L426 WeakPolarHBondContact CB-O 3.45Å; P29-L426 WeakPolarHBondContact CG-O 3.44Å; V32-L426 HydrophobicContact CG2-CD2 3.65Å; V32-L426 HydrophobicContact CG2-CG 3.65Å; I127-L426 HydrophobicContact CB-CD1 3.93Å; I127-L426 HydrophobicContact CD1-CD1 3.86Å; I127-L426 HydrophobicContact CG1-CD1 4.2Å; V330-L426 HydrophobicContact CG1-CD1 4.21Å; L422-L426 PolarHBondContact O-N 2.8Å; R424-L426 VanDerWaalsContact C-N 3.33Å |
| 427 | G | 58.1 | Low | 83.2 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 17.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R424 Q425 Y429 | R424-G427 PolarHBondContact O-N 3.33Å; Q425-G427 PolarHBondContact O-N 3.05Å; G427-Y429 VanDerWaalsContact O-CD2 3.27Å; G427-Y429 WeakPolarHBondContact O-CD2 3.31Å; G427-Y429 WeakPolarHBondContact O-CE2 3.48Å; G427-Y429 PolarHBondContact O-N 3.39Å |
| 428 | K | 69.3 | Low | 83.2 | Confident | 110 Ų | 110 | 35.1 Ų | 35.1 | 48% | 0.478 | 18% | 0.175 | S | C | . | . | trans | -75.3 | 120.4 | 175.4 | -77.6 | 179.9 | -179.7 | 169.5 | 0 | 110.5 | Q425 | Q425-K428 HydrophobicContact CB-CD 4.49Å; Q425-K428 WeakPolarHBondContact O-CB 3.38Å; Q425-K428 WeakPolarHBondContact O-CG 3.35Å; Q425-K428 PolarHBondContact O-N 2.64Å | ||
| 429 | Y | 79.1 | Confident | 83.3 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 9% | 0.09 | 19% | 0.192 | C | C | . | . | trans | -86.5 | 140.7 | 179.1 | -60.1 | -76.2 | 0 | 0 | 0 | 111.7 | F27 G427 M431 M434 R926 Y927 W932 | F27-Y429 AromaticContact CD2-CD1 3.93Å; F27-Y429 HydrophobicContact CD2-CD1 3.93Å; F27-Y429 AromaticContact CD2-CE1 3.67Å; F27-Y429 HydrophobicContact CD2-CE1 3.67Å; F27-Y429 HydrophobicContact CE2-CD1 4.3Å; F27-Y429 AromaticContact CE2-CE1 3.59Å; F27-Y429 HydrophobicContact CE2-CE1 3.59Å; F27-Y429 HydrophobicContact CG-CE1 4.4Å; F27-Y429 HydrophobicContact CZ-CE1 4.29Å; F27-Y429 WeakPolarHBondContact O-CD1 3.34Å; F27-Y429 WeakPolarHBondContact O-CE1 3.2Å; G427-Y429 VanDerWaalsContact O-CD2 3.27Å; G427-Y429 WeakPolarHBondContact O-CD2 3.31Å; G427-Y429 WeakPolarHBondContact O-CE2 3.48Å; G427-Y429 PolarHBondContact O-N 3.39Å; Y429-M431 VanDerWaalsContact C-N 3.27Å; Y429-M431 PolarHBondContact O-N 3.37Å; Y429-M434 HydrophobicContact CD1-SD 3.98Å; Y429-M434 HydrophobicContact CG-SD 4.06Å; Y429-R926 HydrophobicContact CD2-CB 4.09Å; Y429-R926 HydrophobicContact CD2-CG 4.04Å; Y429-R926 HydrophobicContact CE1-CB 4.41Å; Y429-R926 HydrophobicContact CE2-CB 3.57Å; Y429-R926 HydrophobicContact CE2-CG 3.81Å; Y429-R926 WeakPolarHBondContact CE2-O 3.4Å; Y429-R926 PolarHBondContact OH-O 3.47Å; Y429-Y927 HydrophobicContact CD2-CE1 4.06Å; Y429-Y927 HydrophobicContact CE2-CD1 4.18Å; Y429-Y927 AromaticContact CE2-CE1 3.87Å; Y429-Y927 HydrophobicContact CE2-CE1 3.87Å; Y429-W932 HydrophobicContact CE1-CH2 4.28Å; Y429-W932 HydrophobicContact CE1-CZ2 4.38Å | ||
| 430 | D | 83.4 | Confident | 83.3 | Confident | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | trans | -78.5 | 86.2 | 164.4 | 173.2 | 12.3 | 0 | 0 | 0 | 108.8 | G26 Y432 S433 M434 C497 Y498 | G26-D430 PolarHBondContact O-N 3.18Å; D430-Y432 PolarHBondContact O-N 3.05Å; D430-Y432 PolarHBondContact OD1-N 3.2Å; D430-S433 PolarHBondContact O-N 2.91Å; D430-S433 PolarHBondContact OD1-N 3.47Å; D430-S433 WeakPolarHBondContact OD2-CB 3.24Å; D430-S433 PolarHBondContact OD2-OG 2.85Å; D430-M434 WeakPolarHBondContact O-CG 3.36Å; D430-M434 PolarHBondContact O-N 3.43Å; D430-C497 PolarHBondContact OD1-SG 3.19Å; D430-C497 VanDerWaalsContact OD1-SG 3.38Å; D430-C497 WeakPolarHBondContact OD2-CA 3.39Å; D430-Y498 PolarHBondContact OD2-N 3.31Å | ||
| 431 | M | 85.8 | Confident | 83.7 | Confident | 62 Ų | 62 | 35.6 Ų | 35.6 | 31% | 0.305 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.7 | -32 | -177.9 | -67.7 | -58.7 | -54.5 | 0 | 0 | 112.4 | Y429 M434 I435 | Y429-M431 VanDerWaalsContact C-N 3.27Å; Y429-M431 PolarHBondContact O-N 3.37Å; M431-M434 HydrophobicContact SD-SD 4.37Å; M431-I435 HydrophobicContact CE-CD1 4.42Å; M431-I435 WeakPolarHBondContact O-CB 3.28Å; M431-I435 WeakPolarHBondContact O-CD1 3.46Å; M431-I435 WeakPolarHBondContact O-CG1 3.25Å; M431-I435 PolarHBondContact O-N 3.06Å |
| 432 | Y | 89.2 | Confident | 84.1 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71 | -47.1 | -177.6 | -176.7 | -140.8 | 0 | 0 | 0 | 111.5 | D430 M434 I435 A436 H486 V489 C497 F499 | D430-Y432 PolarHBondContact O-N 3.05Å; D430-Y432 PolarHBondContact OD1-N 3.2Å; Y432-M434 VanDerWaalsContact C-N 3.34Å; Y432-M434 PolarHBondContact O-N 3.2Å; Y432-I435 PolarHBondContact O-N 3.45Å; Y432-A436 WeakPolarHBondContact O-CB 3.39Å; Y432-A436 PolarHBondContact O-N 3.08Å; Y432-H486 AromaticContact CE1-CE1 3.99Å; Y432-H486 AromaticContact CE1-ND1 3.49Å; Y432-H486 WeakPolarHBondContact CE1-ND1 3.26Å; Y432-H486 AromaticContact CZ-ND1 3.58Å; Y432-H486 WeakPolarHBondContact OH-CA 3.25Å; Y432-H486 WeakPolarHBondContact OH-CB 3.26Å; Y432-H486 PolarHBondContact OH-ND1 3.04Å; Y432-V489 HydrophobicContact CD1-CG1 3.68Å; Y432-V489 HydrophobicContact CD2-CG1 4.13Å; Y432-V489 HydrophobicContact CE1-CB 4.39Å; Y432-V489 HydrophobicContact CE1-CG1 3.99Å; Y432-V489 HydrophobicContact CE2-CG1 4.47Å; Y432-V489 HydrophobicContact CG-CG1 3.75Å; Y432-C497 HydrophobicContact CD1-CB 4.3Å; Y432-F499 HydrophobicContact CD1-CB 4.05Å; Y432-F499 HydrophobicContact CD1-CD1 4.16Å; Y432-F499 HydrophobicContact CE1-CB 4.13Å; Y432-F499 AromaticContact CE1-CD1 3.44Å; Y432-F499 HydrophobicContact CE1-CD1 3.44Å; Y432-F499 VanDerWaalsContact CE1-CD1 3.44Å; Y432-F499 HydrophobicContact CE1-CE1 4.34Å; Y432-F499 HydrophobicContact CE1-CG 4.25Å; Y432-F499 HydrophobicContact CE2-CD1 4.5Å; Y432-F499 AromaticContact CZ-CD1 3.6Å |
| 433 | S | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 174.3 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | D430 A436 G437 F499 | D430-S433 PolarHBondContact O-N 2.91Å; D430-S433 PolarHBondContact OD1-N 3.47Å; D430-S433 WeakPolarHBondContact OD2-CB 3.24Å; D430-S433 PolarHBondContact OD2-OG 2.85Å; S433-A436 PolarHBondContact O-N 2.85Å; S433-G437 PolarHBondContact O-N 2.96Å; S433-F499 PolarHBondContact OG-N 3.25Å; S433-F499 VanDerWaalsContact OG-N 3.11Å |
| 434 | M | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 174.1 | -73.2 | 179.8 | 67.1 | 0 | 0 | 112.1 | F23 G26 F27 Y429 D430 M431 Y432 A436 G437 M438 T923 | F23-M434 HydrophobicContact CD2-CB 3.99Å; F23-M434 HydrophobicContact CD2-CG 4.22Å; F23-M434 WeakPolarHBondContact CD2-O 3.48Å; F23-M434 HydrophobicContact CE2-CB 3.9Å; F23-M434 HydrophobicContact CE2-CE 3.57Å; F23-M434 HydrophobicContact CE2-CG 4.06Å; F23-M434 HydrophobicContact CZ-CE 3.59Å; G26-M434 VanDerWaalsContact C-CG 3.47Å; F27-M434 HydrophobicContact CB-CE 4.38Å; F27-M434 HydrophobicContact CB-CG 4.26Å; F27-M434 HydrophobicContact CB-SD 4.23Å; F27-M434 HydrophobicContact CD2-CE 3.81Å; F27-M434 HydrophobicContact CD2-SD 4.32Å; Y429-M434 HydrophobicContact CD1-SD 3.98Å; Y429-M434 HydrophobicContact CG-SD 4.06Å; D430-M434 WeakPolarHBondContact O-CG 3.36Å; D430-M434 PolarHBondContact O-N 3.43Å; M431-M434 HydrophobicContact SD-SD 4.37Å; Y432-M434 VanDerWaalsContact C-N 3.34Å; Y432-M434 PolarHBondContact O-N 3.2Å; M434-A436 PolarHBondContact O-N 3.47Å; M434-G437 PolarHBondContact O-N 2.73Å; M434-M438 VanDerWaalsContact O-CB 3.3Å; M434-M438 WeakPolarHBondContact O-CB 3.46Å; M434-M438 PolarHBondContact O-N 2.95Å; M434-T923 HydrophobicContact CE-CG2 3.99Å |
| 435 | I | 92.4 | Very high | 86.4 | Confident | 87 Ų | 87 | 32.9 Ų | 32.9 | 45% | 0.446 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.7 | -43.1 | -179.5 | -69.5 | 165 | 0 | 0 | 0 | 110.3 | M431 Y432 M438 V439 | M431-I435 HydrophobicContact CE-CD1 4.42Å; M431-I435 WeakPolarHBondContact O-CB 3.28Å; M431-I435 WeakPolarHBondContact O-CD1 3.46Å; M431-I435 WeakPolarHBondContact O-CG1 3.25Å; M431-I435 PolarHBondContact O-N 3.06Å; Y432-I435 PolarHBondContact O-N 3.45Å; I435-M438 PolarHBondContact O-N 2.87Å; I435-V439 HydrophobicContact CG2-CG2 4.35Å; I435-V439 WeakPolarHBondContact O-CB 3.44Å; I435-V439 VanDerWaalsContact O-CG2 3.27Å; I435-V439 WeakPolarHBondContact O-CG2 3.45Å; I435-V439 PolarHBondContact O-N 3.17Å |
| 436 | A | 92.3 | Very high | 87.8 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L22 Y432 S433 M434 V439 F440 | L22-A436 HydrophobicContact CD2-CB 3.88Å; Y432-A436 WeakPolarHBondContact O-CB 3.39Å; Y432-A436 PolarHBondContact O-N 3.08Å; S433-A436 PolarHBondContact O-N 2.85Å; M434-A436 PolarHBondContact O-N 3.47Å; A436-V439 PolarHBondContact O-N 2.51Å; A436-F440 WeakPolarHBondContact O-CD1 3.38Å; A436-F440 PolarHBondContact O-N 2.92Å; A436-F440 VanDerWaalsContact O-N 3.15Å |
| 437 | G | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G19 S433 M434 V439 F440 V441 | G19-G437 VanDerWaalsContact O-CA 3.3Å; G19-G437 WeakPolarHBondContact O-CA 3.21Å; S433-G437 PolarHBondContact O-N 2.96Å; M434-G437 PolarHBondContact O-N 2.73Å; G437-V439 PolarHBondContact O-N 3.35Å; G437-F440 WeakPolarHBondContact O-CB 3.27Å; G437-F440 PolarHBondContact O-N 3.29Å; G437-V441 WeakPolarHBondContact O-CG2 3.29Å; G437-V441 PolarHBondContact O-N 2.88Å |
| 438 | M | 95.2 | Very high | 91.1 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 176.2 | -179.9 | -171.7 | -62.1 | 0 | 0 | 112.2 | F23 M434 I435 F440 V441 F442 V919 V920 T923 | F23-M438 HydrophobicContact CD2-CB 4.49Å; F23-M438 HydrophobicContact CE2-CE 4.31Å; M434-M438 VanDerWaalsContact O-CB 3.3Å; M434-M438 WeakPolarHBondContact O-CB 3.46Å; M434-M438 PolarHBondContact O-N 2.95Å; I435-M438 PolarHBondContact O-N 2.87Å; M438-F440 VanDerWaalsContact C-N 3.28Å; M438-F440 PolarHBondContact O-N 3.34Å; M438-V441 PolarHBondContact O-N 2.97Å; M438-F442 WeakPolarHBondContact O-CB 3.5Å; M438-F442 PolarHBondContact O-N 3.43Å; M438-V919 HydrophobicContact CB-CG1 3.97Å; M438-V919 HydrophobicContact CE-CG1 4.31Å; M438-V919 HydrophobicContact CG-CG1 4.05Å; M438-V920 HydrophobicContact CE-CG2 4.49Å; M438-V920 HydrophobicContact CG-CG2 4.28Å; M438-V920 HydrophobicContact SD-CG2 4.08Å; M438-T923 HydrophobicContact CE-CG2 3.62Å; M438-T923 WeakPolarHBondContact CE-OG1 3.38Å |
| 439 | V | 94.6 | Very high | 92.3 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 35% | 0.352 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.8 | -40.6 | 176.9 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | I435 A436 G437 F442 Q443 | I435-V439 HydrophobicContact CG2-CG2 4.35Å; I435-V439 WeakPolarHBondContact O-CB 3.44Å; I435-V439 VanDerWaalsContact O-CG2 3.27Å; I435-V439 WeakPolarHBondContact O-CG2 3.45Å; I435-V439 PolarHBondContact O-N 3.17Å; A436-V439 PolarHBondContact O-N 2.51Å; G437-V439 PolarHBondContact O-N 3.35Å; V439-F442 PolarHBondContact O-N 3.4Å; V439-Q443 HydrophobicContact CG1-CG 4.23Å; V439-Q443 WeakPolarHBondContact O-CB 3.46Å; V439-Q443 VanDerWaalsContact O-CG 3.23Å; V439-Q443 WeakPolarHBondContact O-CG 3.05Å; V439-Q443 PolarHBondContact O-N 2.9Å |
| 440 | F | 93.9 | Very high | 93 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 11% | 0.114 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -50.7 | 177.9 | -74.6 | 9.6 | 0 | 0 | 0 | 111.8 | A436 G437 M438 F442 Q443 L444 A510 | A436-F440 WeakPolarHBondContact O-CD1 3.38Å; A436-F440 PolarHBondContact O-N 2.92Å; A436-F440 VanDerWaalsContact O-N 3.15Å; G437-F440 WeakPolarHBondContact O-CB 3.27Å; G437-F440 PolarHBondContact O-N 3.29Å; M438-F440 VanDerWaalsContact C-N 3.28Å; M438-F440 PolarHBondContact O-N 3.34Å; F440-F442 VanDerWaalsContact C-N 3.31Å; F440-F442 PolarHBondContact O-N 3.05Å; F440-Q443 PolarHBondContact O-N 3.41Å; F440-L444 WeakPolarHBondContact O-CB 3.32Å; F440-L444 WeakPolarHBondContact O-CD1 3.41Å; F440-L444 VanDerWaalsContact O-CG 3.23Å; F440-L444 WeakPolarHBondContact O-CG 3.26Å; F440-L444 PolarHBondContact O-N 3.31Å; F440-A510 HydrophobicContact CE2-CB 4.32Å; F440-A510 HydrophobicContact CZ-CB 3.87Å; F440-A510 WeakPolarHBondContact CZ-O 3.23Å |
| 441 | V | 95.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 178.8 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | E16 V20 G437 M438 L444 L445 A916 | E16-V441 HydrophobicContact CG-CB 4.49Å; E16-V441 HydrophobicContact CG-CG1 4.1Å; E16-V441 HydrophobicContact CG-CG2 4.17Å; V20-V441 HydrophobicContact CG2-CG2 3.76Å; G437-V441 WeakPolarHBondContact O-CG2 3.29Å; G437-V441 PolarHBondContact O-N 2.88Å; M438-V441 PolarHBondContact O-N 2.97Å; V441-L444 PolarHBondContact O-N 2.78Å; V441-L445 PolarHBondContact O-N 3.13Å; V441-A916 HydrophobicContact CG1-CB 3.68Å |
| 442 | F | 95.4 | Very high | 93.7 | Very high | 103 Ų | 103 | 30.9 Ų | 30.9 | 45% | 0.452 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69.8 | -41.4 | -178.5 | -166 | -106.2 | 0 | 0 | 0 | 113 | M438 V439 F440 L444 L445 L446 | M438-F442 WeakPolarHBondContact O-CB 3.5Å; M438-F442 PolarHBondContact O-N 3.43Å; V439-F442 PolarHBondContact O-N 3.4Å; F440-F442 VanDerWaalsContact C-N 3.31Å; F440-F442 PolarHBondContact O-N 3.05Å; F442-L444 VanDerWaalsContact C-N 3.32Å; F442-L444 PolarHBondContact O-N 3.38Å; F442-L445 PolarHBondContact O-N 3.46Å; F442-L446 HydrophobicContact CD1-CD1 3.73Å; F442-L446 HydrophobicContact CD1-CG 4.17Å; F442-L446 HydrophobicContact CE1-CD1 3.43Å; F442-L446 VanDerWaalsContact CE1-CD1 3.43Å; F442-L446 HydrophobicContact CE1-CD2 4.34Å; F442-L446 HydrophobicContact CE1-CG 3.94Å; F442-L446 HydrophobicContact CZ-CD1 4.15Å; F442-L446 HydrophobicContact CZ-CD2 4.24Å; F442-L446 HydrophobicContact CZ-CG 4.24Å; F442-L446 WeakPolarHBondContact O-CG 3.43Å; F442-L446 PolarHBondContact O-N 2.92Å |
| 443 | Q | 95.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 174.4 | -77.7 | 176.2 | -6.3 | 0 | 0 | 111.2 | V439 F440 L446 V447 S514 M517 L521 | V439-Q443 HydrophobicContact CG1-CG 4.23Å; V439-Q443 WeakPolarHBondContact O-CB 3.46Å; V439-Q443 VanDerWaalsContact O-CG 3.23Å; V439-Q443 WeakPolarHBondContact O-CG 3.05Å; V439-Q443 PolarHBondContact O-N 2.9Å; F440-Q443 PolarHBondContact O-N 3.41Å; Q443-L446 PolarHBondContact O-N 3.24Å; Q443-V447 WeakPolarHBondContact O-CG2 3.48Å; Q443-V447 PolarHBondContact O-N 3.5Å; Q443-S514 PolarHBondContact NE2-OG 3.02Å; Q443-S514 VanDerWaalsContact NE2-OG 3.1Å; Q443-S514 PolarHBondContact OE1-OG 3.45Å; Q443-M517 HydrophobicContact CB-CB 4.34Å; Q443-L521 HydrophobicContact CB-CD1 4.04Å; Q443-L521 HydrophobicContact CG-CD1 4.01Å |
| 444 | L | 95.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 178.8 | -74.2 | 168.6 | 0 | 0 | 0 | 112.2 | I12 F15 E16 F440 V441 F442 L446 V447 L448 F513 M517 | I12-L444 HydrophobicContact CD1-CD2 3.56Å; I12-L444 HydrophobicContact CG2-CB 4.22Å; F15-L444 HydrophobicContact CB-CD1 3.7Å; F15-L444 HydrophobicContact CB-CD2 4.1Å; E16-L444 HydrophobicContact CB-CD1 4.14Å; F440-L444 WeakPolarHBondContact O-CB 3.32Å; F440-L444 WeakPolarHBondContact O-CD1 3.41Å; F440-L444 VanDerWaalsContact O-CG 3.23Å; F440-L444 WeakPolarHBondContact O-CG 3.26Å; F440-L444 PolarHBondContact O-N 3.31Å; V441-L444 PolarHBondContact O-N 2.78Å; F442-L444 VanDerWaalsContact C-N 3.32Å; F442-L444 PolarHBondContact O-N 3.38Å; L444-L446 PolarHBondContact O-N 2.98Å; L444-V447 PolarHBondContact O-N 2.83Å; L444-L448 WeakPolarHBondContact O-CB 3.46Å; L444-L448 PolarHBondContact O-N 2.89Å; L444-F513 HydrophobicContact CD2-CZ 4.14Å; L444-M517 HydrophobicContact CD2-SD 4.44Å |
| 445 | L | 95.9 | Very high | 93.5 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 174.5 | 172.6 | 63.2 | 0 | 0 | 0 | 111.6 | V441 F442 V447 L448 L449 V913 A916 | V441-L445 PolarHBondContact O-N 3.13Å; F442-L445 PolarHBondContact O-N 3.46Å; L445-V447 VanDerWaalsContact C-N 3.33Å; L445-V447 PolarHBondContact O-N 3.39Å; L445-L448 WeakPolarHBondContact O-CB 3.36Å; L445-L448 PolarHBondContact O-N 3.27Å; L445-L449 HydrophobicContact CD1-CD1 4.05Å; L445-L449 HydrophobicContact CD1-CG 4.08Å; L445-L449 HydrophobicContact CG-CD1 3.96Å; L445-L449 HydrophobicContact CG-CG 4.42Å; L445-L449 WeakPolarHBondContact O-CG 3.39Å; L445-L449 PolarHBondContact O-N 2.99Å; L445-V913 HydrophobicContact CD1-CG2 3.72Å; L445-A916 HydrophobicContact CB-CB 4.36Å; L445-A916 HydrophobicContact CD2-CB 3.5Å; L445-A916 HydrophobicContact CG-CB 4.49Å |
| 446 | L | 95.5 | Very high | 93.3 | Very high | 61 Ų | 61 | 33.3 Ų | 33.3 | 32% | 0.319 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 178.7 | -72.7 | 179.1 | 0 | 0 | 0 | 111.9 | F442 Q443 L444 L448 L449 L450 L521 | F442-L446 HydrophobicContact CD1-CD1 3.73Å; F442-L446 HydrophobicContact CD1-CG 4.17Å; F442-L446 HydrophobicContact CE1-CD1 3.43Å; F442-L446 VanDerWaalsContact CE1-CD1 3.43Å; F442-L446 HydrophobicContact CE1-CD2 4.34Å; F442-L446 HydrophobicContact CE1-CG 3.94Å; F442-L446 HydrophobicContact CZ-CD1 4.15Å; F442-L446 HydrophobicContact CZ-CD2 4.24Å; F442-L446 HydrophobicContact CZ-CG 4.24Å; F442-L446 WeakPolarHBondContact O-CG 3.43Å; F442-L446 PolarHBondContact O-N 2.92Å; Q443-L446 PolarHBondContact O-N 3.24Å; L444-L446 PolarHBondContact O-N 2.98Å; L446-L448 VanDerWaalsContact C-N 3.31Å; L446-L449 PolarHBondContact O-N 3.42Å; L446-L450 WeakPolarHBondContact O-CB 3.4Å; L446-L450 WeakPolarHBondContact O-CG 3.48Å; L446-L450 PolarHBondContact O-N 3.27Å; L446-L521 HydrophobicContact CB-CD1 4.41Å; L446-L521 HydrophobicContact CB-CD2 3.52Å |
| 447 | V | 94.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 175 | 167.2 | 0 | 0 | 0 | 0 | 109.8 | F8 I12 Q443 L444 L445 A451 M517 L521 | F8-V447 HydrophobicContact CE2-CG1 3.92Å; F8-V447 HydrophobicContact CZ-CG1 3.69Å; I12-V447 HydrophobicContact CD1-CG1 4.03Å; Q443-V447 WeakPolarHBondContact O-CG2 3.48Å; Q443-V447 PolarHBondContact O-N 3.5Å; L444-V447 PolarHBondContact O-N 2.83Å; L445-V447 VanDerWaalsContact C-N 3.33Å; L445-V447 PolarHBondContact O-N 3.39Å; V447-A451 WeakPolarHBondContact O-CB 3.2Å; V447-A451 PolarHBondContact O-N 3.39Å; V447-A451 VanDerWaalsContact O-N 3.16Å; V447-M517 HydrophobicContact CG2-SD 4.47Å; V447-L521 HydrophobicContact CB-CD2 4.14Å; V447-L521 HydrophobicContact CG2-CD1 4.27Å; V447-L521 HydrophobicContact CG2-CD2 3.34Å; V447-L521 HydrophobicContact CG2-CG 3.48Å; V447-L521 VanDerWaalsContact CG2-CG 3.48Å |
| 448 | L | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.8 | -55.7 | 175.2 | -167.8 | 68.8 | 0 | 0 | 0 | 109.8 | F8 I12 L444 L445 L446 L450 A451 M452 Y905 L909 | F8-L448 HydrophobicContact CE1-CD1 4.01Å; I12-L448 HydrophobicContact CB-CD1 4.45Å; I12-L448 HydrophobicContact CG1-CD1 4.37Å; I12-L448 HydrophobicContact CG2-CB 4.33Å; I12-L448 HydrophobicContact CG2-CD1 4.27Å; I12-L448 HydrophobicContact CG2-CD2 4.46Å; L444-L448 WeakPolarHBondContact O-CB 3.46Å; L444-L448 PolarHBondContact O-N 2.89Å; L445-L448 WeakPolarHBondContact O-CB 3.36Å; L445-L448 PolarHBondContact O-N 3.27Å; L446-L448 VanDerWaalsContact C-N 3.31Å; L448-L450 PolarHBondContact O-N 3.12Å; L448-A451 WeakPolarHBondContact O-CB 3.48Å; L448-A451 PolarHBondContact O-N 2.84Å; L448-A451 VanDerWaalsContact O-N 3.1Å; L448-M452 PolarHBondContact O-N 2.98Å; L448-Y905 HydrophobicContact CD1-CD2 4.07Å; L448-Y905 HydrophobicContact CD1-CE2 3.49Å; L448-Y905 VanDerWaalsContact CD1-CE2 3.49Å; L448-Y905 HydrophobicContact CG-CE2 4.21Å; L448-Y905 PolarHBondContact O-OH 3.26Å; L448-L909 HydrophobicContact CD2-CB 4.31Å; L448-L909 HydrophobicContact CD2-CD1 3.95Å; L448-L909 HydrophobicContact CG-CD1 4.38Å |
| 449 | L | 94.4 | Very high | 92 | Very high | 69 Ų | 69 | 41 Ų | 41 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.6 | -44.5 | -178.7 | -71.5 | 169.5 | 0 | 0 | 0 | 113.5 | L445 L446 A451 M452 L909 | L445-L449 HydrophobicContact CD1-CD1 4.05Å; L445-L449 HydrophobicContact CD1-CG 4.08Å; L445-L449 HydrophobicContact CG-CD1 3.96Å; L445-L449 HydrophobicContact CG-CG 4.42Å; L445-L449 WeakPolarHBondContact O-CG 3.39Å; L445-L449 PolarHBondContact O-N 2.99Å; L446-L449 PolarHBondContact O-N 3.42Å; L449-A451 VanDerWaalsContact C-N 3.25Å; L449-A451 PolarHBondContact O-N 3.37Å; L449-M452 HydrophobicContact CD2-CE 4.36Å; L449-M452 VanDerWaalsContact O-CB 3.24Å; L449-M452 WeakPolarHBondContact O-CB 3.24Å; L449-M452 PolarHBondContact O-N 3.41Å; L449-L909 HydrophobicContact CD2-CD1 3.65Å; L449-L909 HydrophobicContact CG-CD1 4.36Å |
| 450 | L | 93.1 | Very high | 91.6 | Very high | 51 Ų | 51 | 38.4 Ų | 38.4 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67 | -26.1 | 178.9 | -72 | 174.8 | 0 | 0 | 0 | 113.3 | L446 L448 M452 L521 M524 A525 R528 | L446-L450 WeakPolarHBondContact O-CB 3.4Å; L446-L450 WeakPolarHBondContact O-CG 3.48Å; L446-L450 PolarHBondContact O-N 3.27Å; L448-L450 PolarHBondContact O-N 3.12Å; L450-M452 VanDerWaalsContact C-N 3.32Å; L450-L521 HydrophobicContact CD1-CD2 3.91Å; L450-M524 HydrophobicContact CB-CB 4.44Å; L450-M524 HydrophobicContact CB-CE 3.93Å; L450-M524 HydrophobicContact CD1-CB 4.2Å; L450-A525 HydrophobicContact CD1-CB 4.39Å; L450-R528 PolarHBondContact O-NH2 2.88Å; L450-R528 VanDerWaalsContact O-NH2 3.17Å |
| 451 | A | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.1 | -14.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F8 V447 L448 L449 P453 E454 A455 V462 M524 | F8-A451 HydrophobicContact CD1-CB 4.41Å; F8-A451 HydrophobicContact CE1-CB 3.44Å; F8-A451 VanDerWaalsContact CE1-CB 3.44Å; F8-A451 HydrophobicContact CZ-CB 3.75Å; V447-A451 WeakPolarHBondContact O-CB 3.2Å; V447-A451 PolarHBondContact O-N 3.39Å; V447-A451 VanDerWaalsContact O-N 3.16Å; L448-A451 WeakPolarHBondContact O-CB 3.48Å; L448-A451 PolarHBondContact O-N 2.84Å; L448-A451 VanDerWaalsContact O-N 3.1Å; L449-A451 VanDerWaalsContact C-N 3.25Å; L449-A451 PolarHBondContact O-N 3.37Å; A451-P453 VanDerWaalsContact C-CD 3.48Å; A451-E454 PolarHBondContact O-N 2.83Å; A451-A455 WeakPolarHBondContact O-CB 3.45Å; A451-A455 PolarHBondContact O-N 3.05Å; A451-V462 HydrophobicContact CB-CG1 3.77Å; A451-V462 HydrophobicContact CB-CG2 4.05Å; A451-M524 HydrophobicContact CB-CE 3.91Å |
| 452 | M | 91.1 | Very high | 91 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 32% | 0.315 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -50.4 | -46.6 | -172.3 | -176.9 | -166.1 | -74.9 | 0 | 0 | 114.2 | L448 L449 L450 E454 A455 L456 Y905 L909 | L448-M452 PolarHBondContact O-N 2.98Å; L449-M452 HydrophobicContact CD2-CE 4.36Å; L449-M452 VanDerWaalsContact O-CB 3.24Å; L449-M452 WeakPolarHBondContact O-CB 3.24Å; L449-M452 PolarHBondContact O-N 3.41Å; L450-M452 VanDerWaalsContact C-N 3.32Å; M452-E454 VanDerWaalsContact C-N 3.3Å; M452-E454 PolarHBondContact O-N 2.92Å; M452-A455 PolarHBondContact O-N 2.95Å; M452-L456 HydrophobicContact CG-CD1 3.74Å; M452-L456 HydrophobicContact CG-CG 4.35Å; M452-L456 WeakPolarHBondContact O-CB 3.44Å; M452-L456 PolarHBondContact O-N 2.87Å; M452-Y905 WeakPolarHBondContact CA-OH 3.36Å; M452-Y905 HydrophobicContact CB-CE1 4.23Å; M452-Y905 WeakPolarHBondContact CB-OH 3.45Å; M452-Y905 HydrophobicContact CG-CE1 4.18Å; M452-Y905 PolarHBondContact N-OH 2.75Å; M452-Y905 VanDerWaalsContact N-OH 3.11Å; M452-L909 HydrophobicContact CE-CD2 3.46Å; M452-L909 VanDerWaalsContact CE-CD2 3.46Å |
| 453 | P | 90.1 | Very high | 90.7 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -33.7 | -178.9 | -21.8 | 34.4 | 0 | 0 | 0 | 113.5 | A451 S457 | A451-P453 VanDerWaalsContact C-CD 3.48Å; P453-S457 PolarHBondContact O-N 3.21Å |
| 454 | E | 89.6 | Confident | 90.4 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -80.3 | -40.7 | 177.2 | -74.6 | 164.7 | -138.8 | 0 | 0 | 111.2 | A451 M452 L456 S457 D463 R528 | A451-E454 PolarHBondContact O-N 2.83Å; M452-E454 VanDerWaalsContact C-N 3.3Å; M452-E454 PolarHBondContact O-N 2.92Å; E454-L456 VanDerWaalsContact C-N 3.35Å; E454-L456 PolarHBondContact O-N 3Å; E454-S457 VanDerWaalsContact O-CB 3.28Å; E454-S457 WeakPolarHBondContact O-CB 3.31Å; E454-S457 PolarHBondContact O-N 3.23Å; E454-S457 PolarHBondContact O-OG 3.44Å; E454-D463 PolarHBondContact OE2-N 3.44Å; E454-D463 VanDerWaalsContact OE2-N 3.08Å; E454-R528 IonicContact OE1-CZ 3.5Å; E454-R528 IonicContact OE1-NH1 3.71Å; E454-R528 IonicContact OE1-NH2 2.78Å; E454-R528 PolarHBondContact OE1-NH2 3Å |
| 455 | A | 88.4 | Confident | 90 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -36.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S5 A451 M452 V462 H902 Y905 | S5-A455 VanDerWaalsContact OG-CA 3.22Å; S5-A455 WeakPolarHBondContact OG-CA 3.3Å; S5-A455 PolarHBondContact OG-O 3.32Å; A451-A455 WeakPolarHBondContact O-CB 3.45Å; A451-A455 PolarHBondContact O-N 3.05Å; M452-A455 PolarHBondContact O-N 2.95Å; A455-V462 HydrophobicContact CB-CG2 3.73Å; A455-H902 PolarHBondContact O-CD2 3.21Å; A455-Y905 HydrophobicContact CB-CD1 4.07Å; A455-Y905 HydrophobicContact CB-CD2 3.43Å; A455-Y905 VanDerWaalsContact CB-CD2 3.43Å; A455-Y905 HydrophobicContact CB-CE1 4Å; A455-Y905 HydrophobicContact CB-CE2 3.34Å; A455-Y905 HydrophobicContact CB-CG 3.81Å |
| 456 | L | 88.3 | Confident | 89.6 | Confident | 60 Ų | 60 | 36.6 Ų | 36.6 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 7.3 | 176.9 | -60.8 | -179.8 | 0 | 0 | 0 | 113.2 | M452 E454 H902 Y905 | M452-L456 HydrophobicContact CG-CD1 3.74Å; M452-L456 HydrophobicContact CG-CG 4.35Å; M452-L456 WeakPolarHBondContact O-CB 3.44Å; M452-L456 PolarHBondContact O-N 2.87Å; E454-L456 VanDerWaalsContact C-N 3.35Å; E454-L456 PolarHBondContact O-N 3Å; L456-H902 VanDerWaalsContact C-NE2 3.29Å; L456-H902 WeakPolarHBondContact CA-NE2 3.35Å; L456-H902 HydrophobicContact CD2-CB 4Å; L456-H902 PolarHBondContact O-CE1 3.35Å; L456-H902 VanDerWaalsContact O-CE1 3.32Å; L456-H902 PolarHBondContact O-NE2 2.97Å; L456-Y905 HydrophobicContact CD2-CD1 3.88Å; L456-Y905 HydrophobicContact CG-CD1 4.11Å; L456-Y905 HydrophobicContact CG-CE1 4.3Å |
| 457 | S | 88.1 | Confident | 89.2 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -69.8 | 167.5 | 173.4 | 74.7 | 0 | 0 | 0 | 0 | 112 | P453 E454 A459 A460 H902 | P453-S457 PolarHBondContact O-N 3.21Å; E454-S457 VanDerWaalsContact O-CB 3.28Å; E454-S457 WeakPolarHBondContact O-CB 3.31Å; E454-S457 PolarHBondContact O-N 3.23Å; E454-S457 PolarHBondContact O-OG 3.44Å; S457-A459 PolarHBondContact O-N 2.98Å; S457-A459 VanDerWaalsContact O-N 3.16Å; S457-A459 PolarHBondContact OG-N 3.12Å; S457-A460 PolarHBondContact O-N 3.35Å; S457-H902 PolarHBondContact O-NE2 3.05Å |
| 458 | S | 82.9 | Confident | 88.7 | Confident | 114 Ų | 114 | 46.6 Ų | 46.6 | 80% | 0.797 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.3 | 172.9 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | V898 | S458-V898 VanDerWaalsContact O-CG2 3.25Å; S458-V898 WeakPolarHBondContact O-CG2 3.46Å |
| 459 | A | 82.6 | Confident | 88.3 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 51% | 0.512 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -15.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S457 A461 | S457-A459 PolarHBondContact O-N 2.98Å; S457-A459 VanDerWaalsContact O-N 3.16Å; S457-A459 PolarHBondContact OG-N 3.12Å; A459-A461 PolarHBondContact O-N 3.11Å; A459-A461 VanDerWaalsContact O-N 3.1Å |
| 460 | A | 85.5 | Confident | 88 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | trans | 45.1 | 42.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S5 S457 V898 | S5-A460 PolarHBondContact N-O 3.41Å; S5-A460 WeakPolarHBondContact OG-CA 3.19Å; S5-A460 PolarHBondContact OG-O 3.39Å; S457-A460 PolarHBondContact O-N 3.35Å; A460-V898 HydrophobicContact CB-CB 4.22Å; A460-V898 HydrophobicContact CB-CG1 3.86Å; A460-V898 HydrophobicContact CB-CG2 4.13Å | ||
| 461 | A | 88.4 | Confident | 87.8 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R2 V3 S5 A459 | R2-A461 HydrophobicContact CG-CB 3.82Å; V3-A461 CarbonylContact O-C 3.48Å; V3-A461 VanDerWaalsContact O-CA 3.24Å; V3-A461 WeakPolarHBondContact O-CA 3.41Å; S5-A461 PolarHBondContact OG-N 3.32Å; A459-A461 PolarHBondContact O-N 3.11Å; A459-A461 VanDerWaalsContact O-N 3.1Å |
| 462 | V | 89.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.7 | -179.7 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | R2 V3 F8 A451 A455 L464 | R2-V462 WeakPolarHBondContact CA-O 3.28Å; V3-V462 PolarHBondContact N-O 3.28Å; V3-V462 PolarHBondContact O-N 2.87Å; F8-V462 HydrophobicContact CD1-CB 4.44Å; F8-V462 HydrophobicContact CD1-CG2 3.82Å; F8-V462 HydrophobicContact CE1-CG2 4.21Å; F8-V462 HydrophobicContact CG-CB 4.47Å; F8-V462 HydrophobicContact CG-CG2 4.27Å; A451-V462 HydrophobicContact CB-CG1 3.77Å; A451-V462 HydrophobicContact CB-CG2 4.05Å; A455-V462 HydrophobicContact CB-CG2 3.73Å; V462-L464 HydrophobicContact CG1-CD2 4.22Å; V462-L464 HydrophobicContact CG1-CG 4.18Å |
| 463 | D | 89.6 | Confident | 87.8 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 100.1 | 172.3 | 179.4 | 47.6 | 0 | 0 | 0 | 111.4 | M1 E454 R527 | M1-D463 PolarHBondContact N-OD1 3.09Å; E454-D463 PolarHBondContact OE2-N 3.44Å; E454-D463 VanDerWaalsContact OE2-N 3.08Å; D463-R527 PolarHBondContact O-NH1 2.87Å; D463-R527 IonicContact OD2-CZ 3.83Å; D463-R527 IonicContact OD2-NH1 3.01Å; D463-R527 PolarHBondContact OD2-NH1 3.25Å; D463-R527 IonicContact OD2-NH2 3.68Å |
| 464 | L | 88.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | trans | -83.7 | 125.9 | 179.6 | -70.1 | 167 | 0 | 0 | 0 | 111.5 | M1 V3 F8 V462 V466 I520 M524 | M1-L464 PolarHBondContact N-O 2.74Å; M1-L464 PolarHBondContact O-N 3.15Å; V3-L464 HydrophobicContact CG2-CD1 4.25Å; F8-L464 HydrophobicContact CD2-CD1 3.81Å; F8-L464 HydrophobicContact CE2-CD1 3.91Å; F8-L464 HydrophobicContact CE2-CD2 3.87Å; F8-L464 HydrophobicContact CE2-CG 4.32Å; F8-L464 HydrophobicContact CZ-CD2 4.48Å; V462-L464 HydrophobicContact CG1-CD2 4.22Å; V462-L464 HydrophobicContact CG1-CG 4.18Å; L464-V466 HydrophobicContact CB-CG2 3.72Å; L464-V466 PolarHBondContact O-N 2.79Å; L464-I520 HydrophobicContact CD2-CG2 4.16Å; L464-M524 HydrophobicContact CD2-SD 4.02Å | ||
| 465 | P | 88 | Confident | 88.2 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | trans | -73.2 | 37.4 | 178.7 | 29.9 | -35 | 0 | 0 | 0 | 114.5 | R467 S468 S469 I520 M524 | P465-R467 PolarHBondContact O-N 2.98Å; P465-S468 WeakPolarHBondContact CB-OG 3.46Å; P465-S468 PolarHBondContact O-N 2.9Å; P465-S468 PolarHBondContact O-OG 2.94Å; P465-S469 WeakPolarHBondContact O-CB 3.45Å; P465-S469 PolarHBondContact O-N 2.88Å; P465-S469 PolarHBondContact O-OG 2.9Å; P465-I520 HydrophobicContact CG-CG2 4.37Å; P465-M524 HydrophobicContact CG-CG 4.17Å | ||
| 466 | V | 86.8 | Confident | 88.5 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.1 | -52.7 | -171.8 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | M1 L464 S468 S469 L470 I520 | M1-V466 HydrophobicContact CB-CG2 4.26Å; M1-V466 HydrophobicContact CE-CG2 4.02Å; L464-V466 HydrophobicContact CB-CG2 3.72Å; L464-V466 PolarHBondContact O-N 2.79Å; V466-S468 PolarHBondContact O-N 2.87Å; V466-S469 PolarHBondContact O-N 3.48Å; V466-L470 HydrophobicContact CG1-CD1 3.67Å; V466-L470 HydrophobicContact CG1-CG 4.18Å; V466-L470 WeakPolarHBondContact O-CB 3.24Å; V466-L470 VanDerWaalsContact O-CG 3.32Å; V466-L470 WeakPolarHBondContact O-CG 3.33Å; V466-L470 PolarHBondContact O-N 3.43Å; V466-I520 HydrophobicContact CG2-CD1 4.26Å |
| 467 | R | 86.4 | Confident | 88.8 | Confident | 203 Ų | 203 | 60.2 Ų | 60.2 | 77% | 0.766 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | -176.8 | -175.9 | 178.8 | 178 | -176.6 | 0.5 | 112.2 | P465 S469 L471 | P465-R467 PolarHBondContact O-N 2.98Å; R467-S469 VanDerWaalsContact C-N 3.32Å; R467-L471 HydrophobicContact CG-CD1 3.81Å; R467-L471 WeakPolarHBondContact O-CB 3.09Å; R467-L471 VanDerWaalsContact O-CG 3.3Å; R467-L471 WeakPolarHBondContact O-CG 3.22Å; R467-L471 PolarHBondContact O-N 3.31Å; R467-L471 VanDerWaalsContact O-N 3.17Å |
| 468 | S | 85.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 60 Ų | 60 | 49% | 0.49 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 177.8 | 42.3 | 0 | 0 | 0 | 0 | 112 | P465 V466 S472 | P465-S468 WeakPolarHBondContact CB-OG 3.46Å; P465-S468 PolarHBondContact O-N 2.9Å; P465-S468 PolarHBondContact O-OG 2.94Å; V466-S468 PolarHBondContact O-N 2.87Å; S468-S472 WeakPolarHBondContact O-CB 3.39Å; S468-S472 PolarHBondContact O-N 3.21Å |
| 469 | S | 86.8 | Confident | 89.7 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.2 | -45.6 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 112 | P465 V466 R467 L471 S472 F475 C519 S523 | P465-S469 WeakPolarHBondContact O-CB 3.45Å; P465-S469 PolarHBondContact O-N 2.88Å; P465-S469 PolarHBondContact O-OG 2.9Å; V466-S469 PolarHBondContact O-N 3.48Å; R467-S469 VanDerWaalsContact C-N 3.32Å; S469-L471 VanDerWaalsContact C-N 3.34Å; S469-L471 PolarHBondContact O-N 2.98Å; S469-S472 WeakPolarHBondContact O-CB 3.33Å; S469-S472 PolarHBondContact O-N 3.37Å; S469-S472 PolarHBondContact O-OG 3.38Å; S469-F475 VanDerWaalsContact O-CB 3.32Å; S469-F475 WeakPolarHBondContact O-CB 3.27Å; S469-C519 PolarHBondContact OG-O 3.22Å; S469-S523 PolarHBondContact OG-OG 2.97Å |
| 470 | L | 87.6 | Confident | 90.3 | Very high | 64 Ų | 64 | 58.1 Ų | 58.1 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.2 | -28 | -179.6 | -67.7 | 178.2 | 0 | 0 | 0 | 113.7 | V466 S472 F475 A516 | V466-L470 HydrophobicContact CG1-CD1 3.67Å; V466-L470 HydrophobicContact CG1-CG 4.18Å; V466-L470 WeakPolarHBondContact O-CB 3.24Å; V466-L470 VanDerWaalsContact O-CG 3.32Å; V466-L470 WeakPolarHBondContact O-CG 3.33Å; V466-L470 PolarHBondContact O-N 3.43Å; L470-S472 VanDerWaalsContact C-N 3.33Å; L470-F475 HydrophobicContact CD2-CD2 4.24Å; L470-F475 HydrophobicContact CD2-CE1 4.49Å; L470-F475 HydrophobicContact CD2-CE2 3.79Å; L470-F475 HydrophobicContact CD2-CZ 3.94Å; L470-F475 VanDerWaalsContact O-CD1 3.25Å; L470-F475 WeakPolarHBondContact O-CD1 3.31Å; L470-A516 HydrophobicContact CD2-CB 3.61Å |
| 471 | L | 89.1 | Confident | 90.8 | Very high | 112 Ų | 112 | 62.6 Ų | 62.6 | 59% | 0.586 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.6 | 177 | -63.8 | 175.8 | 0 | 0 | 0 | 113 | R467 S469 | R467-L471 HydrophobicContact CG-CD1 3.81Å; R467-L471 WeakPolarHBondContact O-CB 3.09Å; R467-L471 VanDerWaalsContact O-CG 3.3Å; R467-L471 WeakPolarHBondContact O-CG 3.22Å; R467-L471 PolarHBondContact O-N 3.31Å; R467-L471 VanDerWaalsContact O-N 3.17Å; S469-L471 VanDerWaalsContact C-N 3.34Å; S469-L471 PolarHBondContact O-N 2.98Å |
| 472 | S | 91.4 | Very high | 91 | Very high | 29 Ų | 29 | 64.1 Ų | 64.1 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -80.2 | 145 | -175.9 | 77 | 0 | 0 | 0 | 0 | 112.2 | S468 S469 L470 P474 F475 Y476 | S468-S472 WeakPolarHBondContact O-CB 3.39Å; S468-S472 PolarHBondContact O-N 3.21Å; S469-S472 WeakPolarHBondContact O-CB 3.33Å; S469-S472 PolarHBondContact O-N 3.37Å; S469-S472 PolarHBondContact O-OG 3.38Å; L470-S472 VanDerWaalsContact C-N 3.33Å; S472-P474 VanDerWaalsContact C-CD 3.49Å; S472-F475 WeakPolarHBondContact O-CB 3.44Å; S472-F475 PolarHBondContact O-N 2.96Å; S472-F475 PolarHBondContact OG-N 2.97Å; S472-Y476 VanDerWaalsContact O-CD2 3.31Å; S472-Y476 WeakPolarHBondContact O-CD2 3.22Å |
| 473 | L | 91.9 | Very high | 91.2 | Very high | 123 Ų | 123 | 65.7 Ų | 65.7 | 64% | 0.644 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.5 | -42 | 172.4 | 179.6 | 66.1 | 0 | 0 | 0 | 113 | F475 Y476 L477 | L473-F475 PolarHBondContact O-N 3.04Å; L473-Y476 PolarHBondContact O-N 3.44Å; L473-L477 HydrophobicContact CD1-CD1 4.39Å; L473-L477 HydrophobicContact CD1-CG 4.24Å; L473-L477 HydrophobicContact CD2-CD1 4.37Å; L473-L477 HydrophobicContact CG-CD1 3.92Å; L473-L477 HydrophobicContact CG-CG 4.23Å; L473-L477 WeakPolarHBondContact O-CG 3.39Å; L473-L477 PolarHBondContact O-N 3.47Å; L473-L477 VanDerWaalsContact O-N 3.1Å |
| 474 | P | 92.5 | Very high | 91.3 | Very high | 79 Ų | 79 | 66.1 Ų | 66.1 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.3 | -33.9 | 175.4 | -28.2 | 36.2 | 0 | 0 | 0 | 114.4 | S472 L478 | S472-P474 VanDerWaalsContact C-CD 3.49Å; P474-L478 VanDerWaalsContact O-CB 3.23Å; P474-L478 WeakPolarHBondContact O-CB 3.45Å; P474-L478 PolarHBondContact O-N 3.28Å |
| 475 | F | 94.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 10% | 0.096 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 178.1 | 166.9 | -101.2 | 0 | 0 | 0 | 111.8 | S469 L470 S472 L473 L478 C479 A512 A516 | S469-F475 VanDerWaalsContact O-CB 3.32Å; S469-F475 WeakPolarHBondContact O-CB 3.27Å; L470-F475 HydrophobicContact CD2-CD2 4.24Å; L470-F475 HydrophobicContact CD2-CE1 4.49Å; L470-F475 HydrophobicContact CD2-CE2 3.79Å; L470-F475 HydrophobicContact CD2-CZ 3.94Å; L470-F475 VanDerWaalsContact O-CD1 3.25Å; L470-F475 WeakPolarHBondContact O-CD1 3.31Å; S472-F475 WeakPolarHBondContact O-CB 3.44Å; S472-F475 PolarHBondContact O-N 2.96Å; S472-F475 PolarHBondContact OG-N 2.97Å; L473-F475 PolarHBondContact O-N 3.04Å; F475-L478 PolarHBondContact O-N 3.37Å; F475-C479 PolarHBondContact O-N 3.18Å; F475-C479 PolarHBondContact O-SG 3.24Å; F475-A512 WeakPolarHBondContact CE2-O 3.36Å; F475-A512 HydrophobicContact CZ-CB 4.47Å; F475-A516 HydrophobicContact CD2-CB 4.3Å; F475-A516 HydrophobicContact CE2-CB 3.93Å |
| 476 | Y | 94.9 | Very high | 91.6 | Very high | 121 Ų | 121 | 68.1 Ų | 68.1 | 48% | 0.475 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 179.4 | -63.5 | -77.6 | 0 | 0 | 0 | 112.1 | S472 L473 L478 C479 L480 | S472-Y476 VanDerWaalsContact O-CD2 3.31Å; S472-Y476 WeakPolarHBondContact O-CD2 3.22Å; L473-Y476 PolarHBondContact O-N 3.44Å; Y476-L478 VanDerWaalsContact C-N 3.35Å; Y476-C479 PolarHBondContact O-N 2.76Å; Y476-L480 WeakPolarHBondContact O-CG 3.48Å; Y476-L480 PolarHBondContact O-N 3.27Å |
| 477 | L | 95.3 | Very high | 91.8 | Very high | 98 Ų | 98 | 69.7 Ų | 69.7 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.5 | -68.9 | 177.1 | 0 | 0 | 0 | 112 | L473 L480 L481 | L473-L477 HydrophobicContact CD1-CD1 4.39Å; L473-L477 HydrophobicContact CD1-CG 4.24Å; L473-L477 HydrophobicContact CD2-CD1 4.37Å; L473-L477 HydrophobicContact CG-CD1 3.92Å; L473-L477 HydrophobicContact CG-CG 4.23Å; L473-L477 WeakPolarHBondContact O-CG 3.39Å; L473-L477 PolarHBondContact O-N 3.47Å; L473-L477 VanDerWaalsContact O-N 3.1Å; L477-L480 PolarHBondContact O-N 2.95Å; L477-L481 WeakPolarHBondContact O-CB 3.28Å; L477-L481 PolarHBondContact O-N 3.22Å |
| 478 | L | 94.3 | Very high | 92 | Very high | 31 Ų | 31 | 65.4 Ų | 65.4 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.6 | -36.1 | 177.6 | -172.2 | 59 | 0 | 0 | 0 | 111.9 | P474 F475 Y476 L480 L481 L482 S515 F518 | P474-L478 VanDerWaalsContact O-CB 3.23Å; P474-L478 WeakPolarHBondContact O-CB 3.45Å; P474-L478 PolarHBondContact O-N 3.28Å; F475-L478 PolarHBondContact O-N 3.37Å; Y476-L478 VanDerWaalsContact C-N 3.35Å; L478-L480 VanDerWaalsContact C-N 3.33Å; L478-L480 PolarHBondContact O-N 3.05Å; L478-L481 HydrophobicContact CD1-CD2 4.16Å; L478-L481 PolarHBondContact O-N 3.2Å; L478-L482 HydrophobicContact CD1-CD1 4.37Å; L478-L482 HydrophobicContact CD1-CG 4.09Å; L478-L482 HydrophobicContact CG-CD1 4.18Å; L478-L482 HydrophobicContact CG-CG 4.31Å; L478-L482 WeakPolarHBondContact O-CB 3.5Å; L478-L482 WeakPolarHBondContact O-CG 3.46Å; L478-L482 PolarHBondContact O-N 2.85Å; L478-S515 WeakPolarHBondContact CG-OG 3.46Å; L478-F518 HydrophobicContact CD2-CB 3.68Å; L478-F518 HydrophobicContact CD2-CD1 3.4Å; L478-F518 HydrophobicContact CD2-CE1 4.2Å; L478-F518 HydrophobicContact CD2-CG 3.75Å |
| 479 | C | 95.6 | Very high | 92 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 10% | 0.101 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 171.9 | -70.1 | 0 | 0 | 0 | 0 | 110.9 | F475 Y476 A483 V511 S515 | F475-C479 PolarHBondContact O-N 3.18Å; F475-C479 PolarHBondContact O-SG 3.24Å; Y476-C479 PolarHBondContact O-N 2.76Å; C479-A483 WeakPolarHBondContact O-CB 2.92Å; C479-A483 PolarHBondContact O-N 2.89Å; C479-V511 HydrophobicContact CB-CG1 4.31Å; C479-V511 WeakPolarHBondContact O-CG1 3.19Å; C479-S515 PolarHBondContact N-OG 2.92Å; C479-S515 VanDerWaalsContact SG-CB 3.59Å |
| 480 | L | 95.3 | Very high | 91.9 | Very high | 122 Ų | 122 | 65.9 Ų | 65.9 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 176.9 | -72.6 | 169.8 | 0 | 0 | 0 | 112 | Y476 L477 L478 S484 | Y476-L480 WeakPolarHBondContact O-CG 3.48Å; Y476-L480 PolarHBondContact O-N 3.27Å; L477-L480 PolarHBondContact O-N 2.95Å; L478-L480 VanDerWaalsContact C-N 3.33Å; L478-L480 PolarHBondContact O-N 3.05Å; L480-S484 WeakPolarHBondContact O-CB 3.15Å; L480-S484 PolarHBondContact O-N 2.75Å; L480-S484 PolarHBondContact O-OG 2.93Å |
| 481 | L | 94.9 | Very high | 91.8 | Very high | 97 Ų | 97 | 68 Ų | 68 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 177.8 | 178.3 | 64.9 | 0 | 0 | 0 | 112.1 | L477 L478 A483 S484 V485 | L477-L481 WeakPolarHBondContact O-CB 3.28Å; L477-L481 PolarHBondContact O-N 3.22Å; L478-L481 HydrophobicContact CD1-CD2 4.16Å; L478-L481 PolarHBondContact O-N 3.2Å; L481-A483 VanDerWaalsContact C-N 3.34Å; L481-S484 PolarHBondContact O-N 2.96Å; L481-S484 PolarHBondContact O-OG 3.45Å; L481-V485 VanDerWaalsContact O-CG2 3.29Å; L481-V485 WeakPolarHBondContact O-CG2 3.4Å; L481-V485 PolarHBondContact O-N 3.39Å |
| 482 | L | 93.7 | Very high | 91.3 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.1 | -34.5 | -179.6 | -68.9 | -178.7 | 0 | 0 | 0 | 111.7 | L478 H486 V511 | L478-L482 HydrophobicContact CD1-CD1 4.37Å; L478-L482 HydrophobicContact CD1-CG 4.09Å; L478-L482 HydrophobicContact CG-CD1 4.18Å; L478-L482 HydrophobicContact CG-CG 4.31Å; L478-L482 WeakPolarHBondContact O-CB 3.5Å; L478-L482 WeakPolarHBondContact O-CG 3.46Å; L478-L482 PolarHBondContact O-N 2.85Å; L482-H486 WeakPolarHBondContact O-CB 3.49Å; L482-H486 PolarHBondContact O-N 2.94Å; L482-V511 HydrophobicContact CB-CB 4.49Å; L482-V511 HydrophobicContact CB-CG1 3.73Å; L482-V511 HydrophobicContact CB-CG2 4.16Å; L482-V511 HydrophobicContact CD1-CG1 4.45Å |
| 483 | A | 93.3 | Very high | 90 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C479 L481 H486 V487 | C479-A483 WeakPolarHBondContact O-CB 2.92Å; C479-A483 PolarHBondContact O-N 2.89Å; L481-A483 VanDerWaalsContact C-N 3.34Å; A483-H486 WeakPolarHBondContact O-CB 3.38Å; A483-H486 PolarHBondContact O-N 3.37Å; A483-V487 WeakPolarHBondContact O-CG2 3.47Å; A483-V487 PolarHBondContact O-N 3.15Å |
| 484 | S | 92.7 | Very high | 88.4 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 176.5 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | L480 L481 H486 V487 L488 | L480-S484 WeakPolarHBondContact O-CB 3.15Å; L480-S484 PolarHBondContact O-N 2.75Å; L480-S484 PolarHBondContact O-OG 2.93Å; L481-S484 PolarHBondContact O-N 2.96Å; L481-S484 PolarHBondContact O-OG 3.45Å; S484-H486 VanDerWaalsContact C-N 3.34Å; S484-V487 PolarHBondContact O-N 3.35Å; S484-L488 VanDerWaalsContact O-CB 3.32Å; S484-L488 WeakPolarHBondContact O-CB 3.2Å; S484-L488 PolarHBondContact O-N 3.49Å |
| 485 | V | 91.1 | Very high | 86.7 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 36% | 0.358 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 170.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L481 L488 V489 | L481-V485 VanDerWaalsContact O-CG2 3.29Å; L481-V485 WeakPolarHBondContact O-CG2 3.4Å; L481-V485 PolarHBondContact O-N 3.39Å; V485-L488 PolarHBondContact O-N 2.88Å; V485-V489 HydrophobicContact CG1-CG2 4.23Å; V485-V489 WeakPolarHBondContact O-CB 3.25Å; V485-V489 VanDerWaalsContact O-CG2 3.28Å; V485-V489 WeakPolarHBondContact O-CG2 3Å; V485-V489 PolarHBondContact O-N 3.16Å |
| 486 | H | 91.6 | Very high | 85.2 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 2% | 0.023 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.9 | -50 | 176.6 | -176.2 | 81.6 | 0 | 0 | 0 | 111.7 | Y432 L482 A483 S484 L488 V489 C490 F499 W504 | Y432-H486 AromaticContact CE1-CE1 3.99Å; Y432-H486 AromaticContact CE1-ND1 3.49Å; Y432-H486 WeakPolarHBondContact CE1-ND1 3.26Å; Y432-H486 AromaticContact CZ-ND1 3.58Å; Y432-H486 WeakPolarHBondContact OH-CA 3.25Å; Y432-H486 WeakPolarHBondContact OH-CB 3.26Å; Y432-H486 PolarHBondContact OH-ND1 3.04Å; L482-H486 WeakPolarHBondContact O-CB 3.49Å; L482-H486 PolarHBondContact O-N 2.94Å; A483-H486 WeakPolarHBondContact O-CB 3.38Å; A483-H486 PolarHBondContact O-N 3.37Å; S484-H486 VanDerWaalsContact C-N 3.34Å; H486-L488 VanDerWaalsContact C-N 3.34Å; H486-L488 PolarHBondContact O-N 2.81Å; H486-V489 PolarHBondContact O-N 3.42Å; H486-C490 PolarHBondContact CE1-SG 3.35Å; H486-C490 PolarHBondContact NE2-SG 3.5Å; H486-C490 VanDerWaalsContact NE2-SG 3.41Å; H486-C490 WeakPolarHBondContact O-CB 3.38Å; H486-C490 PolarHBondContact O-N 2.87Å; H486-C490 PolarHBondContact O-SG 3.39Å; H486-F499 AromaticContact CE1-CD1 3.65Å; H486-F499 AromaticContact CE1-CE1 3.99Å; H486-F499 AromaticContact ND1-CD1 3.56Å; H486-F499 AromaticContact ND1-CE1 3.66Å; H486-W504 AromaticContact CD2-CH2 3.89Å; H486-W504 AromaticContact CD2-CZ3 3.98Å |
| 487 | V | 90.6 | Very high | 84.2 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.8 | -50.9 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | A483 S484 V489 C490 T491 W504 | A483-V487 WeakPolarHBondContact O-CG2 3.47Å; A483-V487 PolarHBondContact O-N 3.15Å; S484-V487 PolarHBondContact O-N 3.35Å; V487-V489 PolarHBondContact O-N 2.77Å; V487-C490 PolarHBondContact O-N 3.24Å; V487-T491 HydrophobicContact CG1-CG2 4.17Å; V487-T491 WeakPolarHBondContact O-CB 3.15Å; V487-T491 VanDerWaalsContact O-CG2 3.3Å; V487-T491 WeakPolarHBondContact O-CG2 3.09Å; V487-T491 PolarHBondContact O-N 2.6Å; V487-T491 PolarHBondContact O-OG1 3.02Å; V487-W504 HydrophobicContact CG2-CH2 3.68Å; V487-W504 HydrophobicContact CG2-CZ3 4.49Å |
| 488 | L | 89.4 | Confident | 83.5 | Confident | 112 Ų | 112 | 66 Ų | 66 | 59% | 0.586 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57 | -50 | -178.7 | -178.9 | 65.4 | 0 | 0 | 0 | 111.5 | S484 V485 H486 T491 S492 | S484-L488 VanDerWaalsContact O-CB 3.32Å; S484-L488 WeakPolarHBondContact O-CB 3.2Å; S484-L488 PolarHBondContact O-N 3.49Å; V485-L488 PolarHBondContact O-N 2.88Å; H486-L488 VanDerWaalsContact C-N 3.34Å; H486-L488 PolarHBondContact O-N 2.81Å; L488-T491 PolarHBondContact O-N 3Å; L488-T491 PolarHBondContact O-OG1 3.29Å; L488-S492 VanDerWaalsContact O-CB 3.24Å; L488-S492 WeakPolarHBondContact O-CB 3.47Å; L488-S492 PolarHBondContact O-N 3.48Å; L488-S492 PolarHBondContact O-OG 3.48Å |
| 489 | V | 86.5 | Confident | 82.9 | Confident | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 178.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | Y432 V485 H486 V487 T491 S492 A493 | Y432-V489 HydrophobicContact CD1-CG1 3.68Å; Y432-V489 HydrophobicContact CD2-CG1 4.13Å; Y432-V489 HydrophobicContact CE1-CB 4.39Å; Y432-V489 HydrophobicContact CE1-CG1 3.99Å; Y432-V489 HydrophobicContact CE2-CG1 4.47Å; Y432-V489 HydrophobicContact CG-CG1 3.75Å; V485-V489 HydrophobicContact CG1-CG2 4.23Å; V485-V489 WeakPolarHBondContact O-CB 3.25Å; V485-V489 VanDerWaalsContact O-CG2 3.28Å; V485-V489 WeakPolarHBondContact O-CG2 3Å; V485-V489 PolarHBondContact O-N 3.16Å; H486-V489 PolarHBondContact O-N 3.42Å; V487-V489 PolarHBondContact O-N 2.77Å; V489-T491 VanDerWaalsContact C-N 3.28Å; V489-T491 PolarHBondContact O-N 3.46Å; V489-S492 PolarHBondContact O-N 2.85Å; V489-S492 PolarHBondContact O-OG 2.78Å; V489-A493 WeakPolarHBondContact O-CB 3.32Å; V489-A493 PolarHBondContact O-N 2.95Å |
| 490 | C | 84.8 | Confident | 82.4 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.6 | -24.1 | -177.9 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | H486 V487 C500 | H486-C490 PolarHBondContact CE1-SG 3.35Å; H486-C490 PolarHBondContact NE2-SG 3.5Å; H486-C490 VanDerWaalsContact NE2-SG 3.41Å; H486-C490 WeakPolarHBondContact O-CB 3.38Å; H486-C490 PolarHBondContact O-N 2.87Å; H486-C490 PolarHBondContact O-SG 3.39Å; V487-C490 PolarHBondContact O-N 3.24Å; C490-C500 WeakPolarHBondContact CA-SG 3.14Å; C490-C500 HydrophobicContact CB-CB 3.79Å; C490-C500 WeakPolarHBondContact CB-SG 3.48Å; C490-C500 VanDerWaalsContact SG-CA 3.53Å; C490-C500 WeakPolarHBondContact SG-CB 3.4Å; C490-C500 CovalentContact SG-SG 2.04Å; C490-C500 PolarHBondContact SG-SG 3.34Å |
| 491 | T | 84.6 | Confident | 81.8 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 67% | 0.669 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -86.5 | -22.4 | 173.1 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | V487 L488 V489 | V487-T491 HydrophobicContact CG1-CG2 4.17Å; V487-T491 WeakPolarHBondContact O-CB 3.15Å; V487-T491 VanDerWaalsContact O-CG2 3.3Å; V487-T491 WeakPolarHBondContact O-CG2 3.09Å; V487-T491 PolarHBondContact O-N 2.6Å; V487-T491 PolarHBondContact O-OG1 3.02Å; L488-T491 PolarHBondContact O-N 3Å; L488-T491 PolarHBondContact O-OG1 3.29Å; V489-T491 VanDerWaalsContact C-N 3.28Å; V489-T491 PolarHBondContact O-N 3.46Å |
| 492 | S | 79.2 | Confident | 81.3 | Confident | 77 Ų | 77 | 61.7 Ų | 61.7 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -101.2 | -19.3 | -177.6 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | L488 V489 E494 | L488-S492 VanDerWaalsContact O-CB 3.24Å; L488-S492 WeakPolarHBondContact O-CB 3.47Å; L488-S492 PolarHBondContact O-N 3.48Å; L488-S492 PolarHBondContact O-OG 3.48Å; V489-S492 PolarHBondContact O-N 2.85Å; V489-S492 PolarHBondContact O-OG 2.78Å; S492-E494 PolarHBondContact O-N 2.97Å |
| 493 | A | 64.3 | Low | 81.1 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | trans | -68.9 | 114.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V489 S495 | V489-A493 WeakPolarHBondContact O-CB 3.32Å; V489-A493 PolarHBondContact O-N 2.95Å; A493-S495 PolarHBondContact O-N 3.3Å | ||
| 494 | E | 57.7 | Low | 81 | Confident | 163 Ų | 163 | 69 Ų | 69 | 76% | 0.762 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -70.7 | -15 | 170.4 | -62.7 | -178 | 173.9 | 0 | 0 | 112.5 | S492 | S492-E494 PolarHBondContact O-N 2.97Š|
| 495 | S | 57.6 | Low | 80.9 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 58% | 0.58 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -110.3 | 157.2 | -178.3 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | A493 C497 | A493-S495 PolarHBondContact O-N 3.3Å; S495-C497 PolarHBondContact O-N 2.88Å |
| 496 | S | 62.4 | Low | 80.8 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | trans | -74.7 | 112.2 | 177.8 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | K33 | K33-S496 WeakPolarHBondContact CE-OG 3.14Š| ||
| 497 | C | 73.5 | Confident | 80.8 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | trans | -92.1 | 129.1 | 168.1 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | D430 Y432 S495 F499 C500 S501 | D430-C497 PolarHBondContact OD1-SG 3.19Å; D430-C497 VanDerWaalsContact OD1-SG 3.38Å; D430-C497 WeakPolarHBondContact OD2-CA 3.39Å; Y432-C497 HydrophobicContact CD1-CB 4.3Å; S495-C497 PolarHBondContact O-N 2.88Å; C497-F499 PolarHBondContact O-N 3.38Å; C497-C500 HydrophobicContact CB-CB 4.03Å; C497-C500 WeakPolarHBondContact O-CB 3.35Å; C497-C500 PolarHBondContact O-N 2.62Å; C497-S501 PolarHBondContact O-N 3.32Å | ||
| 498 | Y | 80 | Confident | 80.9 | Confident | 89 Ų | 89 | 73.6 Ų | 73.6 | 35% | 0.349 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 178.1 | 173 | -103.6 | 0 | 0 | 0 | 111.5 | L22 R25 D430 C500 S501 L502 | L22-Y498 HydrophobicContact CD1-CD1 4.13Å; L22-Y498 HydrophobicContact CD1-CE1 4.3Å; R25-Y498 HydrophobicContact CB-CD1 4.24Å; R25-Y498 HydrophobicContact CB-CE1 4.43Å; R25-Y498 HydrophobicContact CG-CD1 3.48Å; R25-Y498 VanDerWaalsContact CG-CD1 3.48Å; R25-Y498 HydrophobicContact CG-CD2 3.98Å; R25-Y498 HydrophobicContact CG-CE1 3.74Å; R25-Y498 HydrophobicContact CG-CE2 4.21Å; R25-Y498 HydrophobicContact CG-CG 3.6Å; D430-Y498 PolarHBondContact OD2-N 3.31Å; Y498-C500 PolarHBondContact O-N 3.41Å; Y498-S501 WeakPolarHBondContact O-CA 3.33Å; Y498-S501 WeakPolarHBondContact O-CB 3.41Å; Y498-S501 PolarHBondContact O-N 2.95Å; Y498-S501 PolarHBondContact O-OG 3.31Å; Y498-L502 HydrophobicContact CE1-CD2 4Å; Y498-L502 HydrophobicContact CE1-CG 4.43Å; Y498-L502 HydrophobicContact CE2-CD2 4.41Å; Y498-L502 PolarHBondContact O-N 2.89Å |
| 499 | F | 82.2 | Confident | 81 | Confident | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.048 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60 | -30.8 | 178.6 | -161.5 | -113.9 | 0 | 0 | 0 | 112.8 | L22 Y432 S433 H486 C497 S501 L502 A510 | L22-F499 HydrophobicContact CD1-CD2 3.87Å; L22-F499 HydrophobicContact CD2-CD2 3.95Å; L22-F499 HydrophobicContact CD2-CE2 3.94Å; Y432-F499 HydrophobicContact CD1-CB 4.05Å; Y432-F499 HydrophobicContact CD1-CD1 4.16Å; Y432-F499 HydrophobicContact CE1-CB 4.13Å; Y432-F499 AromaticContact CE1-CD1 3.44Å; Y432-F499 HydrophobicContact CE1-CD1 3.44Å; Y432-F499 VanDerWaalsContact CE1-CD1 3.44Å; Y432-F499 HydrophobicContact CE1-CE1 4.34Å; Y432-F499 HydrophobicContact CE1-CG 4.25Å; Y432-F499 HydrophobicContact CE2-CD1 4.5Å; Y432-F499 AromaticContact CZ-CD1 3.6Å; S433-F499 PolarHBondContact OG-N 3.25Å; S433-F499 VanDerWaalsContact OG-N 3.11Å; H486-F499 AromaticContact CE1-CD1 3.65Å; H486-F499 AromaticContact CE1-CE1 3.99Å; H486-F499 AromaticContact ND1-CD1 3.56Å; H486-F499 AromaticContact ND1-CE1 3.66Å; C497-F499 PolarHBondContact O-N 3.38Å; F499-S501 VanDerWaalsContact C-N 3.32Å; F499-L502 HydrophobicContact CD2-CD1 3.61Å; F499-L502 HydrophobicContact CE2-CD1 3.99Å; F499-L502 HydrophobicContact CG-CD1 4.45Å; F499-A510 HydrophobicContact CE2-CB 4.02Å; F499-A510 HydrophobicContact CZ-CB 3.75Å |
| 500 | C | 84.6 | Confident | 81.3 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 26% | 0.264 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74.2 | -19 | 173.5 | -66.9 | 0 | 0 | 0 | 0 | 113.9 | C490 C497 Y498 | C490-C500 WeakPolarHBondContact CA-SG 3.14Å; C490-C500 HydrophobicContact CB-CB 3.79Å; C490-C500 WeakPolarHBondContact CB-SG 3.48Å; C490-C500 VanDerWaalsContact SG-CA 3.53Å; C490-C500 WeakPolarHBondContact SG-CB 3.4Å; C490-C500 CovalentContact SG-SG 2.04Å; C490-C500 PolarHBondContact SG-SG 3.34Å; C497-C500 HydrophobicContact CB-CB 4.03Å; C497-C500 WeakPolarHBondContact O-CB 3.35Å; C497-C500 PolarHBondContact O-N 2.62Å; Y498-C500 PolarHBondContact O-N 3.41Å |
| 501 | S | 83.4 | Confident | 81.7 | Confident | 86 Ų | 86 | 68.2 Ų | 68.2 | 60% | 0.601 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -85.6 | -9.8 | 177 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | C497 Y498 F499 | C497-S501 PolarHBondContact O-N 3.32Å; Y498-S501 WeakPolarHBondContact O-CA 3.33Å; Y498-S501 WeakPolarHBondContact O-CB 3.41Å; Y498-S501 PolarHBondContact O-N 2.95Å; Y498-S501 PolarHBondContact O-OG 3.31Å; F499-S501 VanDerWaalsContact C-N 3.32Å |
| 502 | L | 84.3 | Confident | 82.2 | Confident | 39 Ų | 39 | 64 Ų | 64 | 20% | 0.204 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -69.5 | 151 | 178.1 | -65.4 | 178.9 | 0 | 0 | 0 | 111.1 | Y498 F499 L506 V507 | Y498-L502 HydrophobicContact CE1-CD2 4Å; Y498-L502 HydrophobicContact CE1-CG 4.43Å; Y498-L502 HydrophobicContact CE2-CD2 4.41Å; Y498-L502 PolarHBondContact O-N 2.89Å; F499-L502 HydrophobicContact CD2-CD1 3.61Å; F499-L502 HydrophobicContact CE2-CD1 3.99Å; F499-L502 HydrophobicContact CG-CD1 4.45Å; L502-L506 HydrophobicContact CB-CB 4.42Å; L502-L506 HydrophobicContact CD2-CD1 4.36Å; L502-V507 HydrophobicContact CB-CG2 3.91Å |
| 503 | S | 90.5 | Very high | 82.9 | Confident | 69 Ų | 69 | 62.4 Ų | 62.4 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | trans | -58.8 | 143.7 | 172 | 72.8 | 0 | 0 | 0 | 0 | 111 | G505 L506 V507 | S503-G505 PolarHBondContact O-N 3.15Å; S503-L506 PolarHBondContact O-N 3.29Å; S503-L506 WeakPolarHBondContact OG-CG 3.47Å; S503-L506 PolarHBondContact OG-N 3.32Å; S503-V507 PolarHBondContact O-N 3Å | ||
| 504 | W | 89.4 | Confident | 84.3 | Confident | 166 Ų | 166 | 61 Ų | 61 | 63% | 0.629 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.9 | -30.3 | 178.2 | -84.4 | 104.1 | 0 | 0 | 0 | 113.6 | H486 V487 V507 F508 | H486-W504 AromaticContact CD2-CH2 3.89Å; H486-W504 AromaticContact CD2-CZ3 3.98Å; V487-W504 HydrophobicContact CG2-CH2 3.68Å; V487-W504 HydrophobicContact CG2-CZ3 4.49Å; W504-V507 PolarHBondContact O-N 2.81Å; W504-F508 VanDerWaalsContact O-CB 3.3Å; W504-F508 WeakPolarHBondContact O-CB 3.31Å; W504-F508 PolarHBondContact O-N 2.96Å |
| 505 | G | 91.4 | Very high | 86.1 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S503 A509 | S503-G505 PolarHBondContact O-N 3.15Å; G505-A509 WeakPolarHBondContact O-CB 3.46Å; G505-A509 PolarHBondContact O-N 3.44Å |
| 506 | L | 89.6 | Confident | 87.8 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 53% | 0.534 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 175.9 | -70 | 173.1 | 0 | 0 | 0 | 111.6 | L502 S503 A509 A510 | L502-L506 HydrophobicContact CB-CB 4.42Å; L502-L506 HydrophobicContact CD2-CD1 4.36Å; S503-L506 PolarHBondContact O-N 3.29Å; S503-L506 WeakPolarHBondContact OG-CG 3.47Å; S503-L506 PolarHBondContact OG-N 3.32Å; L506-A509 PolarHBondContact O-N 3.25Å; L506-A510 WeakPolarHBondContact O-CB 3.26Å; L506-A510 PolarHBondContact O-N 3.46Å |
| 507 | V | 90.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | L502 S503 W504 A509 A510 V511 | L502-V507 HydrophobicContact CB-CG2 3.91Å; S503-V507 PolarHBondContact O-N 3Å; W504-V507 PolarHBondContact O-N 2.81Å; V507-A509 VanDerWaalsContact C-N 3.35Å; V507-A509 PolarHBondContact O-N 2.92Å; V507-A510 WeakPolarHBondContact O-CB 3.43Å; V507-A510 PolarHBondContact O-N 2.99Å; V507-V511 HydrophobicContact CG1-CG2 4.4Å; V507-V511 WeakPolarHBondContact O-CB 3.4Å; V507-V511 WeakPolarHBondContact O-CG2 3.49Å; V507-V511 PolarHBondContact O-N 3.39Å |
| 508 | F | 92.4 | Very high | 90.2 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 59% | 0.592 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 177.9 | -178.1 | -98.9 | 0 | 0 | 0 | 111.9 | W504 A510 V511 A512 | W504-F508 VanDerWaalsContact O-CB 3.3Å; W504-F508 WeakPolarHBondContact O-CB 3.31Å; W504-F508 PolarHBondContact O-N 2.96Å; F508-A510 VanDerWaalsContact C-N 3.34Å; F508-A510 PolarHBondContact O-N 3.23Å; F508-V511 PolarHBondContact O-N 2.87Å; F508-A512 VanDerWaalsContact O-CB 3.24Å; F508-A512 WeakPolarHBondContact O-CB 3.07Å; F508-A512 PolarHBondContact O-N 2.9Å |
| 509 | A | 92.9 | Very high | 90.9 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G505 L506 V507 F513 | G505-A509 WeakPolarHBondContact O-CB 3.46Å; G505-A509 PolarHBondContact O-N 3.44Å; L506-A509 PolarHBondContact O-N 3.25Å; V507-A509 VanDerWaalsContact C-N 3.35Å; V507-A509 PolarHBondContact O-N 2.92Å; A509-F513 WeakPolarHBondContact O-CB 3.49Å; A509-F513 PolarHBondContact O-N 3.46Å |
| 510 | A | 91.6 | Very high | 91.4 | Very high | 15 Ų | 15 | 47 Ų | 47 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F440 F499 L506 V507 F508 F513 S514 | F440-A510 HydrophobicContact CE2-CB 4.32Å; F440-A510 HydrophobicContact CZ-CB 3.87Å; F440-A510 WeakPolarHBondContact CZ-O 3.23Å; F499-A510 HydrophobicContact CE2-CB 4.02Å; F499-A510 HydrophobicContact CZ-CB 3.75Å; L506-A510 WeakPolarHBondContact O-CB 3.26Å; L506-A510 PolarHBondContact O-N 3.46Å; V507-A510 WeakPolarHBondContact O-CB 3.43Å; V507-A510 PolarHBondContact O-N 2.99Å; F508-A510 VanDerWaalsContact C-N 3.34Å; F508-A510 PolarHBondContact O-N 3.23Å; A510-F513 PolarHBondContact O-N 2.99Å; A510-S514 WeakPolarHBondContact O-CB 3.19Å; A510-S514 PolarHBondContact O-N 3.01Å |
| 511 | V | 94.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 175.4 | 165 | 0 | 0 | 0 | 0 | 111 | C479 L482 V507 F508 F513 S514 S515 | C479-V511 HydrophobicContact CB-CG1 4.31Å; C479-V511 WeakPolarHBondContact O-CG1 3.19Å; L482-V511 HydrophobicContact CB-CB 4.49Å; L482-V511 HydrophobicContact CB-CG1 3.73Å; L482-V511 HydrophobicContact CB-CG2 4.16Å; L482-V511 HydrophobicContact CD1-CG1 4.45Å; V507-V511 HydrophobicContact CG1-CG2 4.4Å; V507-V511 WeakPolarHBondContact O-CB 3.4Å; V507-V511 WeakPolarHBondContact O-CG2 3.49Å; V507-V511 PolarHBondContact O-N 3.39Å; F508-V511 PolarHBondContact O-N 2.87Å; V511-F513 VanDerWaalsContact C-N 3.31Å; V511-F513 PolarHBondContact O-N 3.29Å; V511-S514 PolarHBondContact O-N 3.35Å; V511-S515 PolarHBondContact O-N 3.49Å; V511-S515 PolarHBondContact O-OG 3.06Å; V511-S515 VanDerWaalsContact O-OG 3.1Å |
| 512 | A | 94.2 | Very high | 92.1 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | F475 F508 S515 A516 | F475-A512 WeakPolarHBondContact CE2-O 3.36Å; F475-A512 HydrophobicContact CZ-CB 4.47Å; F508-A512 VanDerWaalsContact O-CB 3.24Å; F508-A512 WeakPolarHBondContact O-CB 3.07Å; F508-A512 PolarHBondContact O-N 2.9Å; A512-S515 PolarHBondContact O-N 2.94Å; A512-A516 VanDerWaalsContact O-CB 3.28Å; A512-A516 WeakPolarHBondContact O-CB 3.34Å; A512-A516 PolarHBondContact O-N 3.24Å |
| 513 | F | 93.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -50.4 | 175.2 | 179.3 | -98.4 | 0 | 0 | 0 | 111.8 | F15 L444 A509 A510 V511 S515 A516 M517 | F15-F513 HydrophobicContact CB-CZ 4Å; F15-F513 AromaticContact CD1-CE2 3.93Å; F15-F513 HydrophobicContact CD1-CE2 3.93Å; F15-F513 AromaticContact CD1-CZ 3.92Å; F15-F513 HydrophobicContact CD1-CZ 3.92Å; F15-F513 HydrophobicContact CD2-CE2 4.27Å; F15-F513 HydrophobicContact CD2-CZ 4.3Å; F15-F513 HydrophobicContact CE1-CE2 4.05Å; F15-F513 HydrophobicContact CE2-CE2 4.4Å; F15-F513 HydrophobicContact CG-CE2 4.07Å; F15-F513 AromaticContact CG-CZ 3.83Å; F15-F513 HydrophobicContact CG-CZ 3.83Å; F15-F513 HydrophobicContact CZ-CE2 4.3Å; L444-F513 HydrophobicContact CD2-CZ 4.14Å; A509-F513 WeakPolarHBondContact O-CB 3.49Å; A509-F513 PolarHBondContact O-N 3.46Å; A510-F513 PolarHBondContact O-N 2.99Å; V511-F513 VanDerWaalsContact C-N 3.31Å; V511-F513 PolarHBondContact O-N 3.29Å; F513-S515 VanDerWaalsContact C-N 3.34Å; F513-S515 PolarHBondContact O-N 3.43Å; F513-A516 PolarHBondContact O-N 2.75Å; F513-M517 HydrophobicContact CD1-CG 4.29Å; F513-M517 HydrophobicContact CE1-CG 3.9Å; F513-M517 HydrophobicContact CE2-CE 4.2Å; F513-M517 HydrophobicContact CE2-CG 4.25Å; F513-M517 HydrophobicContact CE2-SD 4.48Å; F513-M517 HydrophobicContact CZ-CG 3.89Å; F513-M517 HydrophobicContact CZ-SD 4.31Å; F513-M517 WeakPolarHBondContact O-CG 3.35Å; F513-M517 PolarHBondContact O-N 3.18Å |
| 514 | S | 94.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 177.4 | -172 | 0 | 0 | 0 | 0 | 112.3 | Q443 A510 V511 M517 F518 | Q443-S514 PolarHBondContact NE2-OG 3.02Å; Q443-S514 VanDerWaalsContact NE2-OG 3.1Å; Q443-S514 PolarHBondContact OE1-OG 3.45Å; A510-S514 WeakPolarHBondContact O-CB 3.19Å; A510-S514 PolarHBondContact O-N 3.01Å; V511-S514 PolarHBondContact O-N 3.35Å; S514-M517 PolarHBondContact O-N 3.12Å; S514-F518 WeakPolarHBondContact O-CB 3.42Å; S514-F518 PolarHBondContact O-N 3.28Å |
| 515 | S | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.1 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | L478 C479 V511 A512 F513 F518 C519 | L478-S515 WeakPolarHBondContact CG-OG 3.46Å; C479-S515 PolarHBondContact N-OG 2.92Å; C479-S515 VanDerWaalsContact SG-CB 3.59Å; V511-S515 PolarHBondContact O-N 3.49Å; V511-S515 PolarHBondContact O-OG 3.06Å; V511-S515 VanDerWaalsContact O-OG 3.1Å; A512-S515 PolarHBondContact O-N 2.94Å; F513-S515 VanDerWaalsContact C-N 3.34Å; F513-S515 PolarHBondContact O-N 3.43Å; S515-F518 PolarHBondContact O-N 3.43Å; S515-C519 PolarHBondContact O-N 2.91Å; S515-C519 PolarHBondContact O-SG 2.71Å; S515-C519 VanDerWaalsContact O-SG 3.39Å |
| 516 | A | 93.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L470 F475 A512 F513 F518 C519 I520 | L470-A516 HydrophobicContact CD2-CB 3.61Å; F475-A516 HydrophobicContact CD2-CB 4.3Å; F475-A516 HydrophobicContact CE2-CB 3.93Å; A512-A516 VanDerWaalsContact O-CB 3.28Å; A512-A516 WeakPolarHBondContact O-CB 3.34Å; A512-A516 PolarHBondContact O-N 3.24Å; F513-A516 PolarHBondContact O-N 2.75Å; A516-F518 PolarHBondContact O-N 3.42Å; A516-C519 PolarHBondContact O-N 2.99Å; A516-I520 WeakPolarHBondContact O-CB 3.16Å; A516-I520 VanDerWaalsContact O-CG1 3.28Å; A516-I520 WeakPolarHBondContact O-CG1 3.12Å; A516-I520 PolarHBondContact O-N 3.2Å |
| 517 | M | 92.8 | Very high | 92 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 177.6 | -72.8 | -54.3 | 104.7 | 0 | 0 | 111.5 | Q443 L444 V447 F513 S514 C519 I520 L521 | Q443-M517 HydrophobicContact CB-CB 4.34Å; L444-M517 HydrophobicContact CD2-SD 4.44Å; V447-M517 HydrophobicContact CG2-SD 4.47Å; F513-M517 HydrophobicContact CD1-CG 4.29Å; F513-M517 HydrophobicContact CE1-CG 3.9Å; F513-M517 HydrophobicContact CE2-CE 4.2Å; F513-M517 HydrophobicContact CE2-CG 4.25Å; F513-M517 HydrophobicContact CE2-SD 4.48Å; F513-M517 HydrophobicContact CZ-CG 3.89Å; F513-M517 HydrophobicContact CZ-SD 4.31Å; F513-M517 WeakPolarHBondContact O-CG 3.35Å; F513-M517 PolarHBondContact O-N 3.18Å; S514-M517 PolarHBondContact O-N 3.12Å; M517-C519 PolarHBondContact O-N 3.48Å; M517-I520 HydrophobicContact CE-CD1 3.67Å; M517-I520 PolarHBondContact O-N 3.19Å; M517-L521 WeakPolarHBondContact O-CB 3.36Å; M517-L521 VanDerWaalsContact O-CG 3.31Å; M517-L521 WeakPolarHBondContact O-CG 3.48Å; M517-L521 PolarHBondContact O-N 3.37Å |
| 518 | F | 93.5 | Very high | 91.5 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61 | -44.5 | 176.3 | -173.1 | -100.5 | 0 | 0 | 0 | 112.7 | L478 S514 S515 A516 I520 L521 I522 | L478-F518 HydrophobicContact CD2-CB 3.68Å; L478-F518 HydrophobicContact CD2-CD1 3.4Å; L478-F518 HydrophobicContact CD2-CE1 4.2Å; L478-F518 HydrophobicContact CD2-CG 3.75Å; S514-F518 WeakPolarHBondContact O-CB 3.42Å; S514-F518 PolarHBondContact O-N 3.28Å; S515-F518 PolarHBondContact O-N 3.43Å; A516-F518 PolarHBondContact O-N 3.42Å; F518-I520 VanDerWaalsContact C-N 3.34Å; F518-I520 PolarHBondContact O-N 3.07Å; F518-L521 WeakPolarHBondContact O-CB 3.36Å; F518-L521 PolarHBondContact O-N 3.47Å; F518-I522 HydrophobicContact CD1-CD1 3.75Å; F518-I522 HydrophobicContact CE1-CD1 3.23Å; F518-I522 HydrophobicContact CE1-CG1 4.26Å; F518-I522 HydrophobicContact CE2-CD1 4.43Å; F518-I522 HydrophobicContact CZ-CD1 3.62Å; F518-I522 HydrophobicContact CZ-CG1 4.41Å; F518-I522 WeakPolarHBondContact O-CG1 3.43Å; F518-I522 PolarHBondContact O-N 3.49Å |
| 519 | C | 94 | Very high | 90.9 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -35.4 | 176.3 | -69.4 | 0 | 0 | 0 | 0 | 112.7 | S469 S515 A516 M517 S523 | S469-C519 PolarHBondContact OG-O 3.22Å; S515-C519 PolarHBondContact O-N 2.91Å; S515-C519 PolarHBondContact O-SG 2.71Å; S515-C519 VanDerWaalsContact O-SG 3.39Å; A516-C519 PolarHBondContact O-N 2.99Å; M517-C519 PolarHBondContact O-N 3.48Å; C519-S523 WeakPolarHBondContact O-CB 3.41Å; C519-S523 PolarHBondContact O-N 3.05Å; C519-S523 PolarHBondContact O-OG 3.42Å |
| 520 | I | 92.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 173.6 | -72.7 | 167.1 | 0 | 0 | 0 | 110.1 | L464 P465 V466 A516 M517 F518 I522 S523 M524 | L464-I520 HydrophobicContact CD2-CG2 4.16Å; P465-I520 HydrophobicContact CG-CG2 4.37Å; V466-I520 HydrophobicContact CG2-CD1 4.26Å; A516-I520 WeakPolarHBondContact O-CB 3.16Å; A516-I520 VanDerWaalsContact O-CG1 3.28Å; A516-I520 WeakPolarHBondContact O-CG1 3.12Å; A516-I520 PolarHBondContact O-N 3.2Å; M517-I520 HydrophobicContact CE-CD1 3.67Å; M517-I520 PolarHBondContact O-N 3.19Å; F518-I520 VanDerWaalsContact C-N 3.34Å; F518-I520 PolarHBondContact O-N 3.07Å; I520-I522 PolarHBondContact O-N 3.49Å; I520-S523 PolarHBondContact O-N 3.4Å; I520-M524 HydrophobicContact CG2-CG 4.28Å; I520-M524 HydrophobicContact CG2-SD 3.77Å; I520-M524 WeakPolarHBondContact O-CB 3.46Å; I520-M524 WeakPolarHBondContact O-CG 3.29Å; I520-M524 PolarHBondContact O-N 3.03Å |
| 521 | L | 92.9 | Very high | 87.1 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.6 | -52.1 | 176.3 | -80.2 | 169.2 | 0 | 0 | 0 | 111.8 | Q443 L446 V447 L450 M517 F518 S523 M524 A525 | Q443-L521 HydrophobicContact CB-CD1 4.04Å; Q443-L521 HydrophobicContact CG-CD1 4.01Å; L446-L521 HydrophobicContact CB-CD1 4.41Å; L446-L521 HydrophobicContact CB-CD2 3.52Å; V447-L521 HydrophobicContact CB-CD2 4.14Å; V447-L521 HydrophobicContact CG2-CD1 4.27Å; V447-L521 HydrophobicContact CG2-CD2 3.34Å; V447-L521 HydrophobicContact CG2-CG 3.48Å; V447-L521 VanDerWaalsContact CG2-CG 3.48Å; L450-L521 HydrophobicContact CD1-CD2 3.91Å; M517-L521 WeakPolarHBondContact O-CB 3.36Å; M517-L521 VanDerWaalsContact O-CG 3.31Å; M517-L521 WeakPolarHBondContact O-CG 3.48Å; M517-L521 PolarHBondContact O-N 3.37Å; F518-L521 WeakPolarHBondContact O-CB 3.36Å; F518-L521 PolarHBondContact O-N 3.47Å; L521-S523 VanDerWaalsContact C-N 3.33Å; L521-S523 PolarHBondContact O-N 3.28Å; L521-M524 PolarHBondContact O-N 3.32Å; L521-A525 WeakPolarHBondContact O-CB 3.3Å; L521-A525 PolarHBondContact O-N 3Å |
| 522 | I | 90.9 | Very high | 84.6 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 178.2 | -67.7 | 177 | 0 | 0 | 0 | 110.5 | F518 I520 M524 A525 M526 | F518-I522 HydrophobicContact CD1-CD1 3.75Å; F518-I522 HydrophobicContact CE1-CD1 3.23Å; F518-I522 HydrophobicContact CE1-CG1 4.26Å; F518-I522 HydrophobicContact CE2-CD1 4.43Å; F518-I522 HydrophobicContact CZ-CD1 3.62Å; F518-I522 HydrophobicContact CZ-CG1 4.41Å; F518-I522 WeakPolarHBondContact O-CG1 3.43Å; F518-I522 PolarHBondContact O-N 3.49Å; I520-I522 PolarHBondContact O-N 3.49Å; I522-M524 VanDerWaalsContact C-N 3.33Å; I522-M524 PolarHBondContact O-N 3.35Å; I522-A525 PolarHBondContact O-N 3.15Å; I522-M526 HydrophobicContact CG2-CE 3.96Å; I522-M526 HydrophobicContact CG2-CG 4.22Å; I522-M526 HydrophobicContact CG2-SD 4.11Å; I522-M526 WeakPolarHBondContact O-CB 3.34Å; I522-M526 VanDerWaalsContact O-CG 3.29Å; I522-M526 WeakPolarHBondContact O-CG 3.44Å; I522-M526 PolarHBondContact O-N 3.42Å |
| 523 | S | 90.9 | Very high | 82.5 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 179.5 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | S469 C519 I520 L521 R527 | S469-S523 PolarHBondContact OG-OG 2.97Å; C519-S523 WeakPolarHBondContact O-CB 3.41Å; C519-S523 PolarHBondContact O-N 3.05Å; C519-S523 PolarHBondContact O-OG 3.42Å; I520-S523 PolarHBondContact O-N 3.4Å; L521-S523 VanDerWaalsContact C-N 3.33Å; L521-S523 PolarHBondContact O-N 3.28Å; S523-R527 WeakPolarHBondContact O-CG 3.38Å; S523-R527 PolarHBondContact O-N 3.45Å |
| 524 | M | 89.9 | Confident | 80.1 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.9 | -42.1 | 176 | -71.5 | 179.9 | 70.1 | 0 | 0 | 111.7 | L450 A451 L464 P465 I520 L521 I522 R527 R528 | L450-M524 HydrophobicContact CB-CB 4.44Å; L450-M524 HydrophobicContact CB-CE 3.93Å; L450-M524 HydrophobicContact CD1-CB 4.2Å; A451-M524 HydrophobicContact CB-CE 3.91Å; L464-M524 HydrophobicContact CD2-SD 4.02Å; P465-M524 HydrophobicContact CG-CG 4.17Å; I520-M524 HydrophobicContact CG2-CG 4.28Å; I520-M524 HydrophobicContact CG2-SD 3.77Å; I520-M524 WeakPolarHBondContact O-CB 3.46Å; I520-M524 WeakPolarHBondContact O-CG 3.29Å; I520-M524 PolarHBondContact O-N 3.03Å; L521-M524 PolarHBondContact O-N 3.32Å; I522-M524 VanDerWaalsContact C-N 3.33Å; I522-M524 PolarHBondContact O-N 3.35Å; M524-R527 PolarHBondContact O-N 3.19Å; M524-R528 WeakPolarHBondContact O-CG 2.95Å; M524-R528 PolarHBondContact O-N 3Å |
| 525 | A | 88.5 | Confident | 77.4 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L450 L521 I522 R527 R528 L529 | L450-A525 HydrophobicContact CD1-CB 4.39Å; L521-A525 WeakPolarHBondContact O-CB 3.3Å; L521-A525 PolarHBondContact O-N 3Å; I522-A525 PolarHBondContact O-N 3.15Å; A525-R527 VanDerWaalsContact C-N 3.33Å; A525-R527 PolarHBondContact O-N 3.04Å; A525-R528 WeakPolarHBondContact O-CA 3.16Å; A525-R528 WeakPolarHBondContact O-CB 3.33Å; A525-R528 PolarHBondContact O-N 3.17Å; A525-L529 PolarHBondContact O-N 2.96Å |
| 526 | M | 87.4 | Confident | 74.5 | Confident | 115 Ų | 115 | 78.1 Ų | 78.1 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.1 | -38.2 | 175.7 | -72.6 | -170.5 | -54.9 | 0 | 0 | 112.5 | I522 R528 L529 | I522-M526 HydrophobicContact CG2-CE 3.96Å; I522-M526 HydrophobicContact CG2-CG 4.22Å; I522-M526 HydrophobicContact CG2-SD 4.11Å; I522-M526 WeakPolarHBondContact O-CB 3.34Å; I522-M526 VanDerWaalsContact O-CG 3.29Å; I522-M526 WeakPolarHBondContact O-CG 3.44Å; I522-M526 PolarHBondContact O-N 3.42Å; M526-R528 PolarHBondContact O-N 3.48Å; M526-L529 PolarHBondContact O-N 3.46Å |
| 527 | R | 85 | Confident | 71.9 | Confident | 127 Ų | 127 | 81.1 Ų | 81.1 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -19.8 | 173.4 | -73.2 | 174.4 | -177.3 | -160.7 | -4.6 | 113.2 | D463 S523 M524 A525 | D463-R527 PolarHBondContact O-NH1 2.87Å; D463-R527 IonicContact OD2-CZ 3.83Å; D463-R527 IonicContact OD2-NH1 3.01Å; D463-R527 PolarHBondContact OD2-NH1 3.25Å; D463-R527 IonicContact OD2-NH2 3.68Å; S523-R527 WeakPolarHBondContact O-CG 3.38Å; S523-R527 PolarHBondContact O-N 3.45Å; M524-R527 PolarHBondContact O-N 3.19Å; A525-R527 VanDerWaalsContact C-N 3.33Å; A525-R527 PolarHBondContact O-N 3.04Å |
| 528 | R | 81.4 | Confident | 68.9 | Low | 104 Ų | 104 | 89.4 Ų | 89.4 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -99.8 | -13.1 | -178 | -61.2 | -72.2 | -169.3 | -144.7 | -11 | 113.4 | L450 E454 M524 A525 M526 | L450-R528 PolarHBondContact O-NH2 2.88Å; L450-R528 VanDerWaalsContact O-NH2 3.17Å; E454-R528 IonicContact OE1-CZ 3.5Å; E454-R528 IonicContact OE1-NH1 3.71Å; E454-R528 IonicContact OE1-NH2 2.78Å; E454-R528 PolarHBondContact OE1-NH2 3Å; M524-R528 WeakPolarHBondContact O-CG 2.95Å; M524-R528 PolarHBondContact O-N 3Å; A525-R528 WeakPolarHBondContact O-CA 3.16Å; A525-R528 WeakPolarHBondContact O-CB 3.33Å; A525-R528 PolarHBondContact O-N 3.17Å; M526-R528 PolarHBondContact O-N 3.48Å |
| 529 | L | 78.6 | Confident | 65.8 | Low | 101 Ų | 101 | 90.1 Ų | 90.1 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -73.8 | 131.2 | 176.4 | -89.4 | 136.4 | 0 | 0 | 0 | 110.6 | A525 M526 L531 | A525-L529 PolarHBondContact O-N 2.96Å; M526-L529 PolarHBondContact O-N 3.46Å; L529-L531 HydrophobicContact CB-CD1 4.14Å; L529-L531 PolarHBondContact O-N 2.84Å |
| 530 | P | 57.8 | Low | 63.1 | Low | 127 Ų | 127 | 95.5 Ų | 95.5 | 83% | 0.825 | 56% | 0.56 | S | S | * | * | trans | -77.2 | 84.6 | 175 | 30.1 | -31.3 | 0 | 0 | 0 | 110 | ||||
| 531 | L | 47.9 | Very low | 60.2 | Low | 149 Ų | 149 | 101.5 Ų | 101.5 | 78% | 0.78 | 60% | 0.596 | S | S | * | * | trans | -117.8 | 109.5 | 172 | -81.5 | 150.1 | 0 | 0 | 0 | 109.1 | L529 | L529-L531 HydrophobicContact CB-CD1 4.14Å; L529-L531 PolarHBondContact O-N 2.84Å | ||
| 532 | G | 40.3 | Very low | 57.4 | Low | 71 Ų | 71 | 112.2 Ų | 112.2 | 73% | 0.732 | 64% | 0.635 | S | S | * | * | trans | -95.1 | 176.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 533 | P | 50.2 | Low | 54.6 | Low | 118 Ų | 118 | 113.6 Ų | 113.6 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | cis | -124.4 | 159.9 | -1.8 | 36.7 | -19.5 | 0 | 0 | 0 | 116.1 | ||||
| 534 | T | 44.7 | Very low | 51.8 | Low | 139 Ų | 139 | 117.7 Ų | 117.7 | 85% | 0.853 | 68% | 0.68 | S | S | * | * | trans | 63.2 | 123.8 | 156.7 | 56.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 535 | A | 36.2 | Very low | 49.3 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | -175.6 | 122.9 | 106.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 536 | H | 35.1 | Very low | 46.6 | Very low | 198 Ų | 198 | 122.1 Ų | 122.1 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | trans | 65.2 | 103.8 | 161 | -64.2 | -25.6 | 0 | 0 | 0 | 122.1 | ||||
| 537 | G | 38.2 | Very low | 44.4 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | 106.6 | 55.5 | 111.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 538 | K | 31.6 | Very low | 42.5 | Very low | 202 Ų | 202 | 130.9 Ų | 130.9 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | 173.9 | 121.4 | 138.5 | -94.3 | 162.2 | -170.6 | -176.7 | 0 | 107.3 | ||||
| 539 | S | 28.3 | Very low | 41.4 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -46.1 | 129.7 | 179.5 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | V541 | S539-V541 PolarHBondContact O-N 3.24Š| ||
| 540 | P | 36 | Very low | 41.3 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -71 | 121.4 | 161.9 | 30.2 | -27.5 | 0 | 0 | 0 | 106.3 | R542 | P540-R542 PolarHBondContact O-N 2.81Š| ||
| 541 | V | 32 | Very low | 42.6 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -51.7 | 115.3 | 160.9 | 172.1 | 0 | 0 | 0 | 0 | 105.8 | S539 S543 | S539-V541 PolarHBondContact O-N 3.24Å; V541-S543 PolarHBondContact O-N 3.33Å | ||
| 542 | R | 33.7 | Very low | 44.5 | Very low | 241 Ų | 241 | 126.3 Ų | 126.3 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -57.5 | 94.8 | 165.3 | -86.9 | 176.7 | 165.4 | 170.4 | -4.6 | 106.5 | P540 S544 | P540-R542 PolarHBondContact O-N 2.81Å; R542-S544 PolarHBondContact O-N 3.13Å | ||
| 543 | S | 32.8 | Very low | 46.9 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | -64.2 | 113.5 | 155.8 | 54 | 0 | 0 | 0 | 0 | 105.4 | V541 G545 | V541-S543 PolarHBondContact O-N 3.33Å; S543-G545 PolarHBondContact O-N 2.97Å; S543-G545 VanDerWaalsContact O-N 3.08Å | ||
| 544 | S | 33.2 | Very low | 48.8 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -35.2 | 115.2 | 168.4 | 48 | 0 | 0 | 0 | 0 | 110.3 | R542 G546 | R542-S544 PolarHBondContact O-N 3.13Å; S544-G546 VanDerWaalsContact C-N 3.28Å; S544-G546 PolarHBondContact O-N 3.35Å | ||
| 545 | G | 35.6 | Very low | 51.1 | Low | 79 Ų | 79 | 116.6 Ų | 116.6 | 81% | 0.814 | 67% | 0.674 | S | S | * | * | trans | -64.2 | 94.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | S543 E547 | S543-G545 PolarHBondContact O-N 2.97Å; S543-G545 VanDerWaalsContact O-N 3.08Å; G545-E547 PolarHBondContact O-N 3.05Å | ||
| 546 | G | 33.8 | Very low | 53.9 | Low | 57 Ų | 57 | 114.2 Ų | 114.2 | 59% | 0.588 | 65% | 0.648 | S | S | * | * | trans | -68.8 | 121.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | S544 W548 | S544-G546 VanDerWaalsContact C-N 3.28Å; S544-G546 PolarHBondContact O-N 3.35Å; G546-W548 PolarHBondContact O-N 3.46Å | ||
| 547 | E | 39.7 | Very low | 56.7 | Low | 187 Ų | 187 | 104.8 Ų | 104.8 | 87% | 0.874 | 61% | 0.605 | S | S | * | * | trans | -46.8 | 126.3 | 165.9 | -70 | 173.2 | 149.1 | 0 | 0 | 108.4 | G545 S549 | G545-E547 PolarHBondContact O-N 3.05Å; E547-S549 PolarHBondContact O-N 3.42Å | ||
| 548 | W | 45 | Very low | 59.3 | Low | 239 Ų | 239 | 106.4 Ų | 106.4 | 91% | 0.905 | 60% | 0.596 | S | S | * | * | trans | -68 | 83.4 | 171.4 | -77.7 | 20.3 | 0 | 0 | 0 | 108.4 | G546 L550 | G546-W548 PolarHBondContact O-N 3.46Å; W548-L550 PolarHBondContact O-N 3.02Å; W548-L550 VanDerWaalsContact O-N 3.12Å | ||
| 549 | S | 59.5 | Low | 62.3 | Low | 112 Ų | 112 | 99.5 Ų | 99.5 | 78% | 0.783 | 58% | 0.576 | S | S | * | * | trans | -75.3 | 97.8 | 170 | 63.4 | 0 | 0 | 0 | 0 | 108.2 | E547 S551 | E547-S549 PolarHBondContact O-N 3.42Å; S549-S551 PolarHBondContact O-N 3.49Å | ||
| 550 | L | 76.3 | Confident | 65.5 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | trans | -60.9 | 129.1 | 171.3 | -68.3 | 171.9 | 0 | 0 | 0 | 109.2 | W548 D554 V555 | W548-L550 PolarHBondContact O-N 3.02Å; W548-L550 VanDerWaalsContact O-N 3.12Å; L550-D554 HydrophobicContact CB-CB 4.49Å; L550-D554 HydrophobicContact CD2-CB 4.2Å; L550-V555 HydrophobicContact CB-CG2 4.1Å; L550-V555 HydrophobicContact CD1-CG2 4.49Å | ||
| 551 | S | 84.7 | Confident | 68.3 | Low | 45 Ų | 45 | 90 Ų | 90 | 32% | 0.315 | 51% | 0.513 | S | S | . | . | trans | -70.6 | 158.2 | 171.9 | 72.9 | 0 | 0 | 0 | 0 | 110.5 | S549 L553 D554 V555 | S549-S551 PolarHBondContact O-N 3.49Å; S551-L553 PolarHBondContact O-N 2.87Å; S551-D554 VanDerWaalsContact CB-OD2 3.3Å; S551-D554 WeakPolarHBondContact CB-OD2 3.49Å; S551-D554 PolarHBondContact N-OD2 2.82Å; S551-D554 WeakPolarHBondContact O-CB 3.28Å; S551-D554 PolarHBondContact O-N 3.18Å; S551-D554 PolarHBondContact OG-N 2.98Å; S551-D554 VanDerWaalsContact OG-N 3.13Å; S551-D554 PolarHBondContact OG-OD2 3.44Å; S551-V555 PolarHBondContact O-N 3.01Å; S551-V555 VanDerWaalsContact O-N 3.12Å | ||
| 552 | E | 87.4 | Confident | 71.3 | Confident | 119 Ų | 119 | 87.2 Ų | 87.2 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -54.9 | -35.4 | 173.5 | -67.9 | 173.2 | -177.7 | 0 | 0 | 111.6 | L556 R598 | E552-L556 PolarHBondContact O-N 3.46Å; E552-R598 VanDerWaalsContact CD-NH2 3.34Å; E552-R598 IonicContact OE1-NH1 3.28Å; E552-R598 IonicContact OE1-NH2 3.4Å; E552-R598 PolarHBondContact OE1-NH2 3.31Å; E552-R598 VanDerWaalsContact OE1-NH2 3.13Å; E552-R598 IonicContact OE2-CZ 2.76Å; E552-R598 IonicContact OE2-NH1 3.66Å; E552-R598 PolarHBondContact OE2-NH1 2.83Å; E552-R598 IonicContact OE2-NH2 3.13Å; E552-R598 PolarHBondContact OE2-NH2 3.45Å |
| 553 | L | 90.6 | Very high | 74.2 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 3% | 0.031 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 176.6 | -175.8 | 63.9 | 0 | 0 | 0 | 112.2 | S551 V555 L556 L557 L588 A591 Y820 | S551-L553 PolarHBondContact O-N 2.87Å; L553-V555 VanDerWaalsContact C-N 3.34Å; L553-V555 PolarHBondContact O-N 3.45Å; L553-L556 HydrophobicContact CD1-CD2 4.39Å; L553-L556 PolarHBondContact O-N 3.38Å; L553-L557 HydrophobicContact CD1-CD1 4.29Å; L553-L557 HydrophobicContact CD1-CG 4.26Å; L553-L557 HydrophobicContact CG-CD1 3.96Å; L553-L557 HydrophobicContact CG-CG 4.35Å; L553-L557 WeakPolarHBondContact O-CB 3.18Å; L553-L557 VanDerWaalsContact O-CG 3.31Å; L553-L557 WeakPolarHBondContact O-CG 3.49Å; L553-L557 PolarHBondContact O-N 2.99Å; L553-L588 HydrophobicContact CD1-CD1 4.04Å; L553-A591 HydrophobicContact CD1-CB 4.29Å; L553-Y820 HydrophobicContact CD2-CD1 3.82Å; L553-Y820 HydrophobicContact CD2-CE1 3.25Å |
| 554 | D | 90.7 | Very high | 77.1 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 22% | 0.219 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.6 | -61.2 | -41.9 | 0 | 0 | 0 | 111.2 | L550 S551 L556 L557 L558 Q824 | L550-D554 HydrophobicContact CB-CB 4.49Å; L550-D554 HydrophobicContact CD2-CB 4.2Å; S551-D554 VanDerWaalsContact CB-OD2 3.3Å; S551-D554 WeakPolarHBondContact CB-OD2 3.49Å; S551-D554 PolarHBondContact N-OD2 2.82Å; S551-D554 WeakPolarHBondContact O-CB 3.28Å; S551-D554 PolarHBondContact O-N 3.18Å; S551-D554 PolarHBondContact OG-N 2.98Å; S551-D554 VanDerWaalsContact OG-N 3.13Å; S551-D554 PolarHBondContact OG-OD2 3.44Å; D554-L556 VanDerWaalsContact C-N 3.35Å; D554-L557 PolarHBondContact O-N 3.34Å; D554-L558 VanDerWaalsContact O-CB 3.23Å; D554-L558 WeakPolarHBondContact O-CB 3.19Å; D554-L558 PolarHBondContact O-N 3.07Å; D554-Q824 WeakPolarHBondContact OD1-CG 3.19Å; D554-Q824 PolarHBondContact OD1-NE2 3.22Å |
| 555 | V | 92.6 | Very high | 80 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | L550 S551 L553 A559 | L550-V555 HydrophobicContact CB-CG2 4.1Å; L550-V555 HydrophobicContact CD1-CG2 4.49Å; S551-V555 PolarHBondContact O-N 3.01Å; S551-V555 VanDerWaalsContact O-N 3.12Å; L553-V555 VanDerWaalsContact C-N 3.34Å; L553-V555 PolarHBondContact O-N 3.45Å; V555-A559 WeakPolarHBondContact O-CB 3.23Å; V555-A559 PolarHBondContact O-N 3.45Å |
| 556 | L | 95.1 | Very high | 82.8 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 177.3 | 175.7 | 63.9 | 0 | 0 | 0 | 112 | E552 L553 D554 G560 T587 A591 | E552-L556 PolarHBondContact O-N 3.46Å; L553-L556 HydrophobicContact CD1-CD2 4.39Å; L553-L556 PolarHBondContact O-N 3.38Å; D554-L556 VanDerWaalsContact C-N 3.35Å; L556-G560 PolarHBondContact O-N 2.86Å; L556-T587 HydrophobicContact CD1-CG2 3.64Å; L556-T587 HydrophobicContact CD2-CG2 4.18Å; L556-A591 HydrophobicContact CD2-CB 3.53Å |
| 557 | L | 94.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66 | -41 | -177.3 | -72.4 | 173.6 | 0 | 0 | 0 | 111.8 | L553 D554 T561 L588 Q824 I827 M828 W831 | L553-L557 HydrophobicContact CD1-CD1 4.29Å; L553-L557 HydrophobicContact CD1-CG 4.26Å; L553-L557 HydrophobicContact CG-CD1 3.96Å; L553-L557 HydrophobicContact CG-CG 4.35Å; L553-L557 WeakPolarHBondContact O-CB 3.18Å; L553-L557 VanDerWaalsContact O-CG 3.31Å; L553-L557 WeakPolarHBondContact O-CG 3.49Å; L553-L557 PolarHBondContact O-N 2.99Å; D554-L557 PolarHBondContact O-N 3.34Å; L557-T561 VanDerWaalsContact O-CB 3.31Å; L557-T561 WeakPolarHBondContact O-CB 3.39Å; L557-T561 PolarHBondContact O-N 3.33Å; L557-T561 VanDerWaalsContact O-N 3.11Å; L557-T561 PolarHBondContact O-OG1 3.28Å; L557-L588 HydrophobicContact CD2-CD1 4.13Å; L557-Q824 HydrophobicContact CD1-CB 4.13Å; L557-Q824 HydrophobicContact CD1-CG 4.15Å; L557-I827 HydrophobicContact CB-CD1 4.04Å; L557-I827 HydrophobicContact CB-CG2 4.05Å; L557-I827 HydrophobicContact CD1-CB 4.43Å; L557-I827 HydrophobicContact CD1-CD1 4.5Å; L557-I827 HydrophobicContact CD2-CB 4.19Å; L557-I827 HydrophobicContact CD2-CG2 3.61Å; L557-I827 HydrophobicContact CG-CG2 4.28Å; L557-M828 HydrophobicContact CD2-CG 4.23Å; L557-W831 HydrophobicContact CD2-CD2 4.5Å; L557-W831 HydrophobicContact CD2-CE3 4.4Å; L557-W831 HydrophobicContact CD2-CH2 4.14Å; L557-W831 HydrophobicContact CD2-CZ2 4.24Å; L557-W831 HydrophobicContact CD2-CZ3 4.23Å; L557-W831 WeakPolarHBondContact O-CZ2 3.32Å |
| 558 | L | 92.8 | Very high | 88.2 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 56% | 0.555 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.5 | -50.8 | 177 | -174.3 | 66.6 | 0 | 0 | 0 | 111.2 | D554 G560 T561 V562 | D554-L558 VanDerWaalsContact O-CB 3.23Å; D554-L558 WeakPolarHBondContact O-CB 3.19Å; D554-L558 PolarHBondContact O-N 3.07Å; L558-G560 VanDerWaalsContact C-N 3.32Å; L558-G560 PolarHBondContact O-N 3.46Å; L558-T561 PolarHBondContact O-N 2.99Å; L558-V562 HydrophobicContact CD1-CG2 4.43Å; L558-V562 WeakPolarHBondContact O-CB 3.5Å; L558-V562 WeakPolarHBondContact O-CG2 3.44Å; L558-V562 PolarHBondContact O-N 3.17Å |
| 559 | A | 94.7 | Very high | 90.3 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V555 G563 | V555-A559 WeakPolarHBondContact O-CB 3.23Å; V555-A559 PolarHBondContact O-N 3.45Å; A559-G563 WeakPolarHBondContact O-CA 3.48Å; A559-G563 PolarHBondContact O-N 3.08Å |
| 560 | G | 95.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L556 L558 G563 H564 | L556-G560 PolarHBondContact O-N 2.86Å; L558-G560 VanDerWaalsContact C-N 3.32Å; L558-G560 PolarHBondContact O-N 3.46Å; G560-G563 PolarHBondContact O-N 3.38Å; G560-H564 PolarHBondContact O-N 2.69Å |
| 561 | T | 94.4 | Very high | 92.4 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 178.6 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | L557 L558 T565 W831 L910 | L557-T561 VanDerWaalsContact O-CB 3.31Å; L557-T561 WeakPolarHBondContact O-CB 3.39Å; L557-T561 PolarHBondContact O-N 3.33Å; L557-T561 VanDerWaalsContact O-N 3.11Å; L557-T561 PolarHBondContact O-OG1 3.28Å; L558-T561 PolarHBondContact O-N 2.99Å; T561-T565 PolarHBondContact O-N 3.12Å; T561-T565 PolarHBondContact O-OG1 3.41Å; T561-T565 VanDerWaalsContact O-OG1 3.07Å; T561-W831 PolarHBondContact OG1-NE1 3.15Å; T561-L910 HydrophobicContact CG2-CD2 3.5Å |
| 562 | V | 94.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L558 H564 T565 L566 | L558-V562 HydrophobicContact CD1-CG2 4.43Å; L558-V562 WeakPolarHBondContact O-CB 3.5Å; L558-V562 WeakPolarHBondContact O-CG2 3.44Å; L558-V562 PolarHBondContact O-N 3.17Å; V562-H564 PolarHBondContact O-N 3.48Å; V562-T565 WeakPolarHBondContact O-CB 3.42Å; V562-T565 PolarHBondContact O-N 3.02Å; V562-T565 VanDerWaalsContact O-N 3.12Å; V562-L566 HydrophobicContact CG1-CD1 4.06Å; V562-L566 HydrophobicContact CG1-CG 4.36Å; V562-L566 WeakPolarHBondContact O-CG 2.94Å; V562-L566 PolarHBondContact O-N 3.48Å |
| 563 | G | 94.9 | Very high | 92.9 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A559 G560 L566 S567 | A559-G563 WeakPolarHBondContact O-CA 3.48Å; A559-G563 PolarHBondContact O-N 3.08Å; G560-G563 PolarHBondContact O-N 3.38Å; G563-L566 PolarHBondContact O-N 2.99Å; G563-S567 WeakPolarHBondContact O-CB 3.2Å; G563-S567 PolarHBondContact O-N 3.32Å |
| 564 | H | 94.9 | Very high | 93 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 171 | 166.3 | -98.3 | 0 | 0 | 0 | 111.2 | G560 V562 L566 S567 L568 E577 T580 W581 L584 | G560-H564 PolarHBondContact O-N 2.69Å; V562-H564 PolarHBondContact O-N 3.48Å; H564-L566 VanDerWaalsContact C-N 3.29Å; H564-L566 PolarHBondContact O-N 2.86Å; H564-S567 WeakPolarHBondContact O-CB 3.36Å; H564-S567 PolarHBondContact O-N 3.08Å; H564-S567 PolarHBondContact O-OG 3.39Å; H564-L568 PolarHBondContact O-N 3.14Å; H564-E577 IonicContact CD2-OE1 2.62Å; H564-E577 IonicContact CE1-OE1 3.49Å; H564-E577 IonicContact NE2-OE1 3.29Å; H564-E577 PolarHBondContact NE2-OE1 3.38Å; H564-T580 HydrophobicContact CB-CG2 4.4Å; H564-W581 HydrophobicContact CB-CH2 4.36Å; H564-W581 AromaticContact CD2-CE2 3.68Å; H564-W581 AromaticContact CD2-CZ2 3.39Å; H564-W581 WeakPolarHBondContact CD2-CZ2 3.39Å; H564-W581 AromaticContact CD2-NE1 3.86Å; H564-W581 AromaticContact CE1-CZ2 3.59Å; H564-W581 AromaticContact CG-CH2 3.86Å; H564-W581 AromaticContact CG-CZ2 3.62Å; H564-W581 AromaticContact ND1-CZ2 3.75Å; H564-W581 AromaticContact NE2-CE2 3.75Å; H564-W581 AromaticContact NE2-CZ2 3.35Å; H564-W581 WeakPolarHBondContact NE2-CZ2 3.18Å; H564-W581 AromaticContact NE2-NE1 3.73Å; H564-L584 HydrophobicContact CB-CD1 4.3Å |
| 565 | T | 94.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 179.5 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | T561 V562 L568 V913 A917 | T561-T565 PolarHBondContact O-N 3.12Å; T561-T565 PolarHBondContact O-OG1 3.41Å; T561-T565 VanDerWaalsContact O-OG1 3.07Å; V562-T565 WeakPolarHBondContact O-CB 3.42Å; V562-T565 PolarHBondContact O-N 3.02Å; V562-T565 VanDerWaalsContact O-N 3.12Å; T565-L568 WeakPolarHBondContact O-CB 3.22Å; T565-L568 PolarHBondContact O-N 2.97Å; T565-V913 HydrophobicContact CG2-CG1 4.27Å; T565-A917 HydrophobicContact CG2-CB 3.63Å |
| 566 | L | 93.7 | Very high | 92.8 | Very high | 123 Ų | 123 | 42 Ų | 42 | 64% | 0.644 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.7 | -35.3 | 176.1 | -67.8 | 173.6 | 0 | 0 | 0 | 112.5 | V562 G563 H564 L568 A569 | V562-L566 HydrophobicContact CG1-CD1 4.06Å; V562-L566 HydrophobicContact CG1-CG 4.36Å; V562-L566 WeakPolarHBondContact O-CG 2.94Å; V562-L566 PolarHBondContact O-N 3.48Å; G563-L566 PolarHBondContact O-N 2.99Å; H564-L566 VanDerWaalsContact C-N 3.29Å; H564-L566 PolarHBondContact O-N 2.86Å; L566-L568 PolarHBondContact O-N 2.87Å; L566-A569 WeakPolarHBondContact O-CB 3.4Å; L566-A569 PolarHBondContact O-N 3.4Å; L566-A569 VanDerWaalsContact O-N 3.12Å |
| 567 | S | 94.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 12% | 0.119 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -28.3 | 178.7 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | G563 H564 A569 A570 F573 | G563-S567 WeakPolarHBondContact O-CB 3.2Å; G563-S567 PolarHBondContact O-N 3.32Å; H564-S567 WeakPolarHBondContact O-CB 3.36Å; H564-S567 PolarHBondContact O-N 3.08Å; H564-S567 PolarHBondContact O-OG 3.39Å; S567-A569 PolarHBondContact O-N 3.46Å; S567-A570 PolarHBondContact O-N 3.47Å; S567-F573 WeakPolarHBondContact O-CB 3.41Å |
| 568 | L | 92.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -12.5 | 177.1 | -61.9 | 177.6 | 0 | 0 | 0 | 113.7 | H564 T565 L566 A570 V574 P914 Y918 L921 | H564-L568 PolarHBondContact O-N 3.14Å; T565-L568 WeakPolarHBondContact O-CB 3.22Å; T565-L568 PolarHBondContact O-N 2.97Å; L566-L568 PolarHBondContact O-N 2.87Å; L568-A570 VanDerWaalsContact C-N 3.28Å; L568-A570 PolarHBondContact O-N 3.47Å; L568-V574 HydrophobicContact CD2-CG2 4.23Å; L568-V574 WeakPolarHBondContact O-CG2 3.34Å; L568-P914 HydrophobicContact CD1-CB 4.32Å; L568-Y918 HydrophobicContact CB-CD2 3.85Å; L568-Y918 HydrophobicContact CB-CE2 3.97Å; L568-Y918 HydrophobicContact CD1-CD2 3.9Å; L568-Y918 HydrophobicContact CD2-CE2 4.41Å; L568-Y918 HydrophobicContact CG-CD2 4.33Å; L568-L921 WeakPolarHBondContact O-CD2 3.37Å |
| 569 | A | 90 | Very high | 92.7 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 47% | 0.471 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L566 S567 L921 | L566-A569 WeakPolarHBondContact O-CB 3.4Å; L566-A569 PolarHBondContact O-N 3.4Å; L566-A569 VanDerWaalsContact O-N 3.12Å; S567-A569 PolarHBondContact O-N 3.46Å; A569-L921 HydrophobicContact CB-CD1 3.49Å; A569-L921 VanDerWaalsContact CB-CD1 3.49Å |
| 570 | A | 90.9 | Very high | 92.7 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 31% | 0.306 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -115.8 | 132.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S567 L568 S572 F573 V574 | S567-A570 PolarHBondContact O-N 3.47Å; L568-A570 VanDerWaalsContact C-N 3.28Å; L568-A570 PolarHBondContact O-N 3.47Å; A570-S572 VanDerWaalsContact C-N 3.28Å; A570-S572 PolarHBondContact O-N 3.05Å; A570-F573 HydrophobicContact CB-CB 4.4Å; A570-F573 HydrophobicContact CB-CD2 3.8Å; A570-F573 PolarHBondContact O-N 2.9Å; A570-V574 PolarHBondContact O-N 3.25Å; A570-V574 VanDerWaalsContact O-N 3.09Å |
| 571 | S | 89.4 | Confident | 92.7 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -37.5 | -177.5 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | F573 V574 E575 | S571-F573 PolarHBondContact O-N 3.15Å; S571-V574 PolarHBondContact O-N 2.86Å; S571-E575 WeakPolarHBondContact O-CB 3.21Å; S571-E575 PolarHBondContact O-N 3.29Å |
| 572 | S | 89.8 | Confident | 92.7 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 177.7 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | A570 E575 E576 | A570-S572 VanDerWaalsContact C-N 3.28Å; A570-S572 PolarHBondContact O-N 3.05Å; S572-E575 PolarHBondContact O-N 3.04Å; S572-E576 WeakPolarHBondContact O-CB 3.43Å; S572-E576 PolarHBondContact O-N 3.24Å |
| 573 | F | 91.8 | Very high | 92.8 | Very high | 108 Ų | 108 | 39.9 Ų | 39.9 | 47% | 0.474 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -75 | -27.3 | 176.6 | -81.3 | -76.9 | 0 | 0 | 0 | 112.6 | S567 A570 S571 E577 | S567-F573 WeakPolarHBondContact O-CB 3.41Å; A570-F573 HydrophobicContact CB-CB 4.4Å; A570-F573 HydrophobicContact CB-CD2 3.8Å; A570-F573 PolarHBondContact O-N 2.9Å; S571-F573 PolarHBondContact O-N 3.15Å; F573-E577 WeakPolarHBondContact O-CA 3.08Å; F573-E577 WeakPolarHBondContact O-CB 3.17Å; F573-E577 PolarHBondContact O-N 2.92Å |
| 574 | V | 92.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.3 | -43.2 | 170 | 176 | 0 | 0 | 0 | 0 | 110.5 | L568 A570 S571 N844 Y918 V934 F935 K938 | L568-V574 HydrophobicContact CD2-CG2 4.23Å; L568-V574 WeakPolarHBondContact O-CG2 3.34Å; A570-V574 PolarHBondContact O-N 3.25Å; A570-V574 VanDerWaalsContact O-N 3.09Å; S571-V574 PolarHBondContact O-N 2.86Å; V574-N844 PolarHBondContact O-ND2 3.01Å; V574-Y918 HydrophobicContact CG2-CE2 4.23Å; V574-V934 HydrophobicContact CB-CG1 3.79Å; V574-V934 HydrophobicContact CG1-CG1 3.55Å; V574-F935 HydrophobicContact CG2-CE1 4.18Å; V574-K938 HydrophobicContact CG1-CB 3.78Å; V574-K938 HydrophobicContact CG1-CD 4.47Å; V574-K938 HydrophobicContact CG1-CG 3.81Å |
| 575 | E | 88.7 | Confident | 92.8 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 177.9 | -170.1 | 173.1 | -174.9 | 0 | 0 | 111.5 | S571 S572 V659 | S571-E575 WeakPolarHBondContact O-CB 3.21Å; S571-E575 PolarHBondContact O-N 3.29Å; S572-E575 PolarHBondContact O-N 3.04Å; E575-V659 HydrophobicContact CG-CB 4.13Å; E575-V659 HydrophobicContact CG-CG2 3.71Å; E575-V659 WeakPolarHBondContact OE1-CB 3.32Å; E575-V659 VanDerWaalsContact OE1-CG2 3.23Å; E575-V659 WeakPolarHBondContact OE1-CG2 3.46Å |
| 576 | E | 91.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 40.9 Ų | 40.9 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 30.8 | -176.7 | -59.3 | -68.7 | 131.4 | 0 | 0 | 112.7 | S572 H578 Q579 V659 Q660 | S572-E576 WeakPolarHBondContact O-CB 3.43Å; S572-E576 PolarHBondContact O-N 3.24Å; E576-H578 PolarHBondContact O-N 2.89Å; E576-H578 IonicContact OE2-CE1 3.61Å; E576-H578 PolarHBondContact OE2-CE1 3.4Å; E576-H578 IonicContact OE2-NE2 3.92Å; E576-H578 PolarHBondContact OE2-NE2 3.39Å; E576-Q579 HydrophobicContact CB-CG 4.31Å; E576-Q579 WeakPolarHBondContact O-CB 3.36Å; E576-Q579 PolarHBondContact O-N 3.4Å; E576-V659 PolarHBondContact OE1-N 2.92Å; E576-Q660 PolarHBondContact OE1-N 3.29Å |
| 577 | E | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -29.2 | -174.1 | -174.6 | -178.9 | 169.4 | 0 | 0 | 113.4 | H564 F573 Q579 T580 W581 Y838 N844 K938 | H564-E577 IonicContact CD2-OE1 2.62Å; H564-E577 IonicContact CE1-OE1 3.49Å; H564-E577 IonicContact NE2-OE1 3.29Å; H564-E577 PolarHBondContact NE2-OE1 3.38Å; F573-E577 WeakPolarHBondContact O-CA 3.08Å; F573-E577 WeakPolarHBondContact O-CB 3.17Å; F573-E577 PolarHBondContact O-N 2.92Å; E577-Q579 PolarHBondContact O-N 2.91Å; E577-T580 VanDerWaalsContact O-CB 3.27Å; E577-T580 WeakPolarHBondContact O-CB 3.25Å; E577-T580 PolarHBondContact O-N 3.46Å; E577-W581 PolarHBondContact O-N 2.9Å; E577-W581 PolarHBondContact OE1-NE1 3.47Å; E577-W581 VanDerWaalsContact OE1-NE1 3.09Å; E577-Y838 PolarHBondContact OE2-OH 2.6Å; E577-N844 PolarHBondContact OE2-ND2 3.47Å; E577-K938 VanDerWaalsContact CD-NZ 3.29Å; E577-K938 IonicContact OE1-NZ 3.74Å; E577-K938 PolarHBondContact OE1-NZ 3.33Å; E577-K938 WeakPolarHBondContact OE2-CE 3.44Å; E577-K938 IonicContact OE2-NZ 3.93Å; E577-K938 PolarHBondContact OE2-NZ 3.17Å |
| 578 | H | 92.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.2 | -35.7 | 174.2 | 63.8 | -90.5 | 0 | 0 | 0 | 112.5 | E576 T580 W581 Y582 T657 Y838 | E576-H578 PolarHBondContact O-N 2.89Å; E576-H578 IonicContact OE2-CE1 3.61Å; E576-H578 PolarHBondContact OE2-CE1 3.4Å; E576-H578 IonicContact OE2-NE2 3.92Å; E576-H578 PolarHBondContact OE2-NE2 3.39Å; H578-T580 VanDerWaalsContact C-N 3.32Å; H578-T580 PolarHBondContact O-N 3.04Å; H578-W581 PolarHBondContact O-N 2.92Å; H578-Y582 HydrophobicContact CB-CE2 4.05Å; H578-Y582 AromaticContact CD2-CE2 3.53Å; H578-Y582 WeakPolarHBondContact O-CB 3.43Å; H578-Y582 WeakPolarHBondContact O-CD1 3.34Å; H578-Y582 VanDerWaalsContact O-CD2 3.29Å; H578-Y582 WeakPolarHBondContact O-CD2 3.47Å; H578-Y582 PolarHBondContact O-N 3.39Å; H578-T657 PolarHBondContact CD2-OG1 3.26Å; H578-T657 PolarHBondContact CE1-O 2.75Å; H578-T657 VanDerWaalsContact CG-OG1 3.23Å; H578-T657 PolarHBondContact NE2-O 3.38Å; H578-T657 PolarHBondContact NE2-OG1 3.37Å; H578-Y838 HydrophobicContact CB-CD1 3.47Å; H578-Y838 VanDerWaalsContact CB-CD1 3.47Å; H578-Y838 HydrophobicContact CB-CD2 4.06Å; H578-Y838 HydrophobicContact CB-CE1 4.07Å; H578-Y838 HydrophobicContact CB-CG 3.46Å; H578-Y838 VanDerWaalsContact CB-CG 3.46Å |
| 579 | Q | 93.5 | Very high | 93.2 | Very high | 87 Ų | 87 | 36.2 Ų | 36.2 | 41% | 0.407 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 176.8 | -61.6 | -62.5 | -18.7 | 0 | 0 | 111.4 | E576 E577 Y582 F583 | E576-Q579 HydrophobicContact CB-CG 4.31Å; E576-Q579 WeakPolarHBondContact O-CB 3.36Å; E576-Q579 PolarHBondContact O-N 3.4Å; E577-Q579 PolarHBondContact O-N 2.91Å; Q579-Y582 PolarHBondContact O-N 3.02Å; Q579-F583 WeakPolarHBondContact O-CB 3.2Å; Q579-F583 PolarHBondContact O-N 2.95Å |
| 580 | T | 94.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 174.2 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | H564 E577 H578 Y582 F583 L584 | H564-T580 HydrophobicContact CB-CG2 4.4Å; E577-T580 VanDerWaalsContact O-CB 3.27Å; E577-T580 WeakPolarHBondContact O-CB 3.25Å; E577-T580 PolarHBondContact O-N 3.46Å; H578-T580 VanDerWaalsContact C-N 3.32Å; H578-T580 PolarHBondContact O-N 3.04Å; T580-Y582 PolarHBondContact O-N 2.9Å; T580-F583 PolarHBondContact O-N 3.26Å; T580-L584 HydrophobicContact CG2-CD1 4.15Å; T580-L584 WeakPolarHBondContact O-CB 3.49Å; T580-L584 VanDerWaalsContact O-CG 3.28Å; T580-L584 WeakPolarHBondContact O-CG 3.47Å; T580-L584 PolarHBondContact O-N 3.15Å |
| 581 | W | 95.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 179 | -69.7 | 111.6 | 0 | 0 | 0 | 113.1 | H564 E577 H578 L584 L585 Y830 W831 Q834 Y838 | H564-W581 HydrophobicContact CB-CH2 4.36Å; H564-W581 AromaticContact CD2-CE2 3.68Å; H564-W581 AromaticContact CD2-CZ2 3.39Å; H564-W581 WeakPolarHBondContact CD2-CZ2 3.39Å; H564-W581 AromaticContact CD2-NE1 3.86Å; H564-W581 AromaticContact CE1-CZ2 3.59Å; H564-W581 AromaticContact CG-CH2 3.86Å; H564-W581 AromaticContact CG-CZ2 3.62Å; H564-W581 AromaticContact ND1-CZ2 3.75Å; H564-W581 AromaticContact NE2-CE2 3.75Å; H564-W581 AromaticContact NE2-CZ2 3.35Å; H564-W581 WeakPolarHBondContact NE2-CZ2 3.18Å; H564-W581 AromaticContact NE2-NE1 3.73Å; E577-W581 PolarHBondContact O-N 2.9Å; E577-W581 PolarHBondContact OE1-NE1 3.47Å; E577-W581 VanDerWaalsContact OE1-NE1 3.09Å; H578-W581 PolarHBondContact O-N 2.92Å; W581-L584 HydrophobicContact CE3-CD1 4.04Å; W581-L584 HydrophobicContact CZ3-CD1 3.98Å; W581-L584 PolarHBondContact O-N 3.27Å; W581-L585 VanDerWaalsContact O-CB 3.23Å; W581-L585 WeakPolarHBondContact O-CB 3.39Å; W581-L585 PolarHBondContact O-N 3.4Å; W581-Y830 HydrophobicContact CH2-CD1 4.48Å; W581-Y830 AromaticContact CH2-CE1 3.8Å; W581-Y830 HydrophobicContact CH2-CE1 3.8Å; W581-W831 HydrophobicContact CE3-CG 4.47Å; W581-W831 HydrophobicContact CZ3-CB 4.34Å; W581-W831 AromaticContact CZ3-CD1 3.51Å; W581-W831 HydrophobicContact CZ3-CD2 4.49Å; W581-W831 AromaticContact CZ3-CG 3.9Å; W581-W831 HydrophobicContact CZ3-CG 3.9Å; W581-W831 AromaticContact CZ3-NE1 3.96Å; W581-Q834 HydrophobicContact CD2-CB 3.55Å; W581-Q834 HydrophobicContact CD2-CG 4.27Å; W581-Q834 HydrophobicContact CE3-CB 3.87Å; W581-Q834 HydrophobicContact CE3-CG 4.43Å; W581-Q834 HydrophobicContact CG-CB 4.04Å; W581-Q834 HydrophobicContact CH2-CB 4.25Å; W581-Q834 HydrophobicContact CH2-CG 3.94Å; W581-Q834 HydrophobicContact CZ2-CB 3.9Å; W581-Q834 HydrophobicContact CZ2-CG 3.68Å; W581-Q834 HydrophobicContact CZ3-CB 4.23Å; W581-Q834 HydrophobicContact CZ3-CG 4.3Å; W581-Y838 HydrophobicContact CB-CD2 4.48Å; W581-Y838 AromaticContact CD1-CD2 3.78Å; W581-Y838 AromaticContact CD1-CE2 3.24Å; W581-Y838 HydrophobicContact CG-CD2 4.36Å; W581-Y838 HydrophobicContact CG-CE2 4.19Å; W581-Y838 AromaticContact NE1-CE2 3.76Å |
| 582 | Y | 94.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.4 | -61.9 | -20.8 | 0 | 0 | 0 | 111.9 | H578 Q579 T580 N586 R652 T657 Y838 F839 | H578-Y582 HydrophobicContact CB-CE2 4.05Å; H578-Y582 AromaticContact CD2-CE2 3.53Å; H578-Y582 WeakPolarHBondContact O-CB 3.43Å; H578-Y582 WeakPolarHBondContact O-CD1 3.34Å; H578-Y582 VanDerWaalsContact O-CD2 3.29Å; H578-Y582 WeakPolarHBondContact O-CD2 3.47Å; H578-Y582 PolarHBondContact O-N 3.39Å; Q579-Y582 PolarHBondContact O-N 3.02Å; T580-Y582 PolarHBondContact O-N 2.9Å; Y582-N586 WeakPolarHBondContact O-CB 3.3Å; Y582-N586 PolarHBondContact O-N 3.29Å; Y582-N586 PolarHBondContact O-ND2 3.07Å; Y582-N586 VanDerWaalsContact O-ND2 3.12Å; Y582-R652 HydrophobicContact CD2-CG 4.06Å; Y582-R652 HydrophobicContact CE2-CG 3.62Å; Y582-T657 PolarHBondContact OH-OG1 3.21Å; Y582-Y838 WeakPolarHBondContact OH-CB 3.28Å; Y582-F839 AromaticContact CD1-CE1 3.71Å; Y582-F839 HydrophobicContact CD1-CE1 3.71Å; Y582-F839 AromaticContact CD1-CZ 3.89Å; Y582-F839 HydrophobicContact CD1-CZ 3.89Å; Y582-F839 AromaticContact CE1-CD1 3.61Å; Y582-F839 HydrophobicContact CE1-CD1 3.61Å; Y582-F839 AromaticContact CE1-CE1 3.23Å; Y582-F839 HydrophobicContact CE1-CE1 3.23Å; Y582-F839 HydrophobicContact CE1-CG 4.41Å; Y582-F839 AromaticContact CE1-CZ 3.76Å; Y582-F839 HydrophobicContact CE1-CZ 3.76Å; Y582-F839 AromaticContact CZ-CD1 3.97Å; Y582-F839 AromaticContact CZ-CE1 3.84Å |
| 583 | F | 95.5 | Very high | 94 | Very high | 140 Ų | 140 | 36.8 Ų | 36.8 | 61% | 0.614 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -62.6 | -49.4 | 175.4 | 175.7 | -98.1 | 0 | 0 | 0 | 111.7 | Q579 T580 L585 N586 T587 | Q579-F583 WeakPolarHBondContact O-CB 3.2Å; Q579-F583 PolarHBondContact O-N 2.95Å; T580-F583 PolarHBondContact O-N 3.26Å; F583-L585 VanDerWaalsContact C-N 3.35Å; F583-L585 PolarHBondContact O-N 2.94Å; F583-N586 PolarHBondContact O-N 3.12Å; F583-T587 WeakPolarHBondContact O-CB 3.29Å; F583-T587 PolarHBondContact O-N 3.06Å; F583-T587 PolarHBondContact O-OG1 3.33Å |
| 584 | L | 95.8 | Very high | 94 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 178.8 | -70.8 | 179.1 | 0 | 0 | 0 | 111.7 | H564 T580 W581 T587 L588 W831 | H564-L584 HydrophobicContact CB-CD1 4.3Å; T580-L584 HydrophobicContact CG2-CD1 4.15Å; T580-L584 WeakPolarHBondContact O-CB 3.49Å; T580-L584 VanDerWaalsContact O-CG 3.28Å; T580-L584 WeakPolarHBondContact O-CG 3.47Å; T580-L584 PolarHBondContact O-N 3.15Å; W581-L584 HydrophobicContact CE3-CD1 4.04Å; W581-L584 HydrophobicContact CZ3-CD1 3.98Å; W581-L584 PolarHBondContact O-N 3.27Å; L584-T587 PolarHBondContact O-N 3.02Å; L584-L588 WeakPolarHBondContact O-CB 3.4Å; L584-L588 PolarHBondContact O-N 2.92Å; L584-W831 HydrophobicContact CB-CD2 4.39Å; L584-W831 HydrophobicContact CB-CE3 3.83Å; L584-W831 HydrophobicContact CB-CH2 4.28Å; L584-W831 HydrophobicContact CB-CZ3 3.76Å; L584-W831 HydrophobicContact CD1-CZ2 4.4Å; L584-W831 HydrophobicContact CD2-CH2 3.93Å; L584-W831 HydrophobicContact CD2-CZ2 4.47Å; L584-W831 HydrophobicContact CD2-CZ3 4.18Å; L584-W831 HydrophobicContact CG-CH2 4.48Å; L584-W831 HydrophobicContact CG-CZ3 4.44Å |
| 585 | L | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.9 | -41.4 | -179.1 | -173.8 | 62 | 0 | 0 | 0 | 112.7 | W581 F583 T587 L588 C589 F832 A835 F839 | W581-L585 VanDerWaalsContact O-CB 3.23Å; W581-L585 WeakPolarHBondContact O-CB 3.39Å; W581-L585 PolarHBondContact O-N 3.4Å; F583-L585 VanDerWaalsContact C-N 3.35Å; F583-L585 PolarHBondContact O-N 2.94Å; L585-T587 VanDerWaalsContact C-N 3.33Å; L585-L588 HydrophobicContact CD1-CD2 4.32Å; L585-L588 PolarHBondContact O-N 2.87Å; L585-C589 PolarHBondContact O-N 3.5Å; L585-C589 PolarHBondContact O-SG 3.33Å; L585-F832 HydrophobicContact CD1-CD1 3.66Å; L585-F832 HydrophobicContact CD1-CD2 4.11Å; L585-F832 HydrophobicContact CD1-CE1 3.55Å; L585-F832 HydrophobicContact CD1-CE2 3.99Å; L585-F832 HydrophobicContact CD1-CG 3.94Å; L585-F832 HydrophobicContact CD1-CZ 3.7Å; L585-F832 HydrophobicContact CD2-CD1 4.11Å; L585-F832 HydrophobicContact CD2-CE1 4.15Å; L585-F832 HydrophobicContact CG-CE1 4.32Å; L585-A835 HydrophobicContact CD2-CB 3.61Å; L585-F839 HydrophobicContact CD2-CE2 4.13Å; L585-F839 HydrophobicContact CD2-CZ 4.36Å |
| 586 | N | 95.2 | Very high | 94.1 | Very high | 63 Ų | 63 | 34.5 Ų | 34.5 | 34% | 0.337 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.3 | -71.6 | -24.6 | 0 | 0 | 0 | 110.9 | Y582 F583 L588 C589 L590 L645 | Y582-N586 WeakPolarHBondContact O-CB 3.3Å; Y582-N586 PolarHBondContact O-N 3.29Å; Y582-N586 PolarHBondContact O-ND2 3.07Å; Y582-N586 VanDerWaalsContact O-ND2 3.12Å; F583-N586 PolarHBondContact O-N 3.12Å; N586-L588 VanDerWaalsContact C-N 3.34Å; N586-L588 PolarHBondContact O-N 3.28Å; N586-C589 PolarHBondContact O-N 2.98Å; N586-L590 WeakPolarHBondContact O-CG 3.49Å; N586-L590 PolarHBondContact O-N 2.91Å; N586-L590 VanDerWaalsContact O-N 3.13Å; N586-L645 HydrophobicContact CB-CD2 4.05Å; N586-L645 WeakPolarHBondContact OD1-CD2 3.38Å |
| 587 | T | 96 | Very high | 94 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.9 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | L556 F583 L584 L585 C589 L590 A591 | L556-T587 HydrophobicContact CD1-CG2 3.64Å; L556-T587 HydrophobicContact CD2-CG2 4.18Å; F583-T587 WeakPolarHBondContact O-CB 3.29Å; F583-T587 PolarHBondContact O-N 3.06Å; F583-T587 PolarHBondContact O-OG1 3.33Å; L584-T587 PolarHBondContact O-N 3.02Å; L585-T587 VanDerWaalsContact C-N 3.33Å; T587-C589 PolarHBondContact O-N 3.31Å; T587-L590 PolarHBondContact O-N 3.12Å; T587-A591 PolarHBondContact O-N 2.85Å |
| 588 | L | 95.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -46.2 | 174.4 | 174.8 | 61.1 | 0 | 0 | 0 | 112.1 | L553 L557 L584 L585 N586 L590 A591 V592 M828 W831 F832 | L553-L588 HydrophobicContact CD1-CD1 4.04Å; L557-L588 HydrophobicContact CD2-CD1 4.13Å; L584-L588 WeakPolarHBondContact O-CB 3.4Å; L584-L588 PolarHBondContact O-N 2.92Å; L585-L588 HydrophobicContact CD1-CD2 4.32Å; L585-L588 PolarHBondContact O-N 2.87Å; N586-L588 VanDerWaalsContact C-N 3.34Å; N586-L588 PolarHBondContact O-N 3.28Å; L588-L590 VanDerWaalsContact C-N 3.28Å; L588-L590 PolarHBondContact O-N 3.04Å; L588-A591 PolarHBondContact O-N 3.38Å; L588-V592 HydrophobicContact CD1-CG2 3.95Å; L588-V592 HydrophobicContact CG-CG2 4.41Å; L588-V592 WeakPolarHBondContact O-CG2 2.96Å; L588-V592 PolarHBondContact O-N 3.32Å; L588-M828 HydrophobicContact CD1-CG 3.93Å; L588-M828 HydrophobicContact CD1-SD 4.05Å; L588-M828 HydrophobicContact CD2-CB 4.21Å; L588-M828 HydrophobicContact CD2-CG 3.82Å; L588-M828 HydrophobicContact CG-CG 4.47Å; L588-W831 HydrophobicContact CB-CE3 4.15Å; L588-W831 HydrophobicContact CB-CZ3 4.19Å; L588-W831 HydrophobicContact CD2-CE3 4.07Å; L588-F832 HydrophobicContact CD2-CE2 4.31Å |
| 589 | C | 95.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -36.3 | 179.5 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | L585 N586 T587 F593 P641 L645 | L585-C589 PolarHBondContact O-N 3.5Å; L585-C589 PolarHBondContact O-SG 3.33Å; N586-C589 PolarHBondContact O-N 2.98Å; T587-C589 PolarHBondContact O-N 3.31Å; C589-F593 WeakPolarHBondContact O-CB 3.26Å; C589-F593 PolarHBondContact O-N 3.13Å; C589-P641 WeakPolarHBondContact O-CB 3.3Å; C589-L645 HydrophobicContact CB-CD1 4.17Å; C589-L645 HydrophobicContact CB-CD2 3.61Å; C589-L645 HydrophobicContact CB-CG 3.67Å |
| 590 | L | 94.6 | Very high | 93 | Very high | 104 Ų | 104 | 40 Ų | 40 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68.7 | -41.9 | 175.2 | -67.4 | 173.6 | 0 | 0 | 0 | 112.1 | N586 T587 L588 F593 Q594 L645 | N586-L590 WeakPolarHBondContact O-CG 3.49Å; N586-L590 PolarHBondContact O-N 2.91Å; N586-L590 VanDerWaalsContact O-N 3.13Å; T587-L590 PolarHBondContact O-N 3.12Å; L588-L590 VanDerWaalsContact C-N 3.28Å; L588-L590 PolarHBondContact O-N 3.04Å; L590-F593 WeakPolarHBondContact O-CB 3.2Å; L590-F593 PolarHBondContact O-N 2.64Å; L590-Q594 PolarHBondContact O-N 3.29Å; L590-L645 HydrophobicContact CD2-CD1 3.99Å; L590-L645 HydrophobicContact CG-CD1 4.44Å |
| 591 | A | 94.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L553 L556 T587 L588 F593 Q594 D595 | L553-A591 HydrophobicContact CD1-CB 4.29Å; L556-A591 HydrophobicContact CD2-CB 3.53Å; T587-A591 PolarHBondContact O-N 2.85Å; L588-A591 PolarHBondContact O-N 3.38Å; A591-F593 VanDerWaalsContact C-N 3.31Å; A591-F593 PolarHBondContact O-N 2.66Å; A591-Q594 WeakPolarHBondContact O-CB 3.27Å; A591-Q594 PolarHBondContact O-N 3.06Å; A591-Q594 VanDerWaalsContact O-N 3.13Å; A591-D595 PolarHBondContact O-N 3.23Å |
| 592 | V | 93.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L588 Q594 D595 V596 P641 I814 M828 | L588-V592 HydrophobicContact CD1-CG2 3.95Å; L588-V592 HydrophobicContact CG-CG2 4.41Å; L588-V592 WeakPolarHBondContact O-CG2 2.96Å; L588-V592 PolarHBondContact O-N 3.32Å; V592-Q594 VanDerWaalsContact C-N 3.3Å; V592-Q594 PolarHBondContact O-N 3.29Å; V592-D595 PolarHBondContact O-N 2.93Å; V592-V596 HydrophobicContact CG1-CG2 4.41Å; V592-V596 VanDerWaalsContact O-CG2 3.28Å; V592-V596 WeakPolarHBondContact O-CG2 3.25Å; V592-V596 PolarHBondContact O-N 3.47Å; V592-P641 HydrophobicContact CG1-CG 4.1Å; V592-I814 HydrophobicContact CG1-CD1 4.15Å; V592-I814 HydrophobicContact CG1-CG1 4.4Å; V592-I814 HydrophobicContact CG1-CG2 3.48Å; V592-I814 VanDerWaalsContact CG1-CG2 3.48Å; V592-M828 HydrophobicContact CG2-SD 4.28Å |
| 593 | F | 93.8 | Very high | 88.9 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 32% | 0.316 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 174.5 | -177.4 | -110.3 | 0 | 0 | 0 | 112.2 | C589 L590 A591 V596 C597 L638 P641 P642 | C589-F593 WeakPolarHBondContact O-CB 3.26Å; C589-F593 PolarHBondContact O-N 3.13Å; L590-F593 WeakPolarHBondContact O-CB 3.2Å; L590-F593 PolarHBondContact O-N 2.64Å; A591-F593 VanDerWaalsContact C-N 3.31Å; A591-F593 PolarHBondContact O-N 2.66Å; F593-V596 PolarHBondContact O-N 3.09Å; F593-C597 WeakPolarHBondContact O-CB 3.3Å; F593-C597 PolarHBondContact O-N 3.5Å; F593-C597 PolarHBondContact O-SG 3.46Å; F593-C597 VanDerWaalsContact O-SG 3.34Å; F593-L638 WeakPolarHBondContact CE2-O 3.45Å; F593-P641 HydrophobicContact CB-CB 3.89Å; F593-P641 HydrophobicContact CB-CG 4.15Å; F593-P641 HydrophobicContact CD2-CB 4.35Å; F593-P641 HydrophobicContact CD2-CG 4.27Å; F593-P642 HydrophobicContact CD2-CG 3.93Å; F593-P642 HydrophobicContact CE2-CG 3.85Å |
| 594 | Q | 92.2 | Very high | 86.6 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 175.5 | -173.8 | 179.5 | 1.4 | 0 | 0 | 111.8 | L590 A591 V592 C597 R598 | L590-Q594 PolarHBondContact O-N 3.29Å; A591-Q594 WeakPolarHBondContact O-CB 3.27Å; A591-Q594 PolarHBondContact O-N 3.06Å; A591-Q594 VanDerWaalsContact O-N 3.13Å; V592-Q594 VanDerWaalsContact C-N 3.3Å; V592-Q594 PolarHBondContact O-N 3.29Å; Q594-C597 WeakPolarHBondContact O-CB 3.44Å; Q594-C597 PolarHBondContact O-N 3.36Å; Q594-R598 VanDerWaalsContact NE2-NH2 3.14Å; Q594-R598 WeakPolarHBondContact O-CG 3.42Å; Q594-R598 PolarHBondContact O-N 3.36Å |
| 595 | D | 91.1 | Very high | 84 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.9 | -79.7 | -10.3 | 0 | 0 | 0 | 112.4 | A591 V592 C597 R598 K599 L818 Y820 | A591-D595 PolarHBondContact O-N 3.23Å; V592-D595 PolarHBondContact O-N 2.93Å; D595-C597 VanDerWaalsContact C-N 3.32Å; D595-C597 PolarHBondContact O-N 3.22Å; D595-R598 PolarHBondContact O-N 2.59Å; D595-R598 IonicContact OD1-NH1 3.2Å; D595-K599 PolarHBondContact O-N 3.29Å; D595-L818 HydrophobicContact CB-CD2 4.46Å; D595-Y820 WeakPolarHBondContact CB-OH 3.43Å; D595-Y820 PolarHBondContact OD2-OH 2.87Å |
| 596 | V | 90.9 | Very high | 81.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 173.7 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | V592 F593 K599 Y600 A637 L638 I814 L818 | V592-V596 HydrophobicContact CG1-CG2 4.41Å; V592-V596 VanDerWaalsContact O-CG2 3.28Å; V592-V596 WeakPolarHBondContact O-CG2 3.25Å; V592-V596 PolarHBondContact O-N 3.47Å; F593-V596 PolarHBondContact O-N 3.09Å; V596-K599 PolarHBondContact O-N 3.12Å; V596-Y600 HydrophobicContact CG1-CD2 3.83Å; V596-Y600 HydrophobicContact CG1-CE2 4.09Å; V596-Y600 WeakPolarHBondContact O-CD2 3.49Å; V596-Y600 PolarHBondContact O-N 3.41Å; V596-A637 HydrophobicContact CG1-CB 4.24Å; V596-L638 HydrophobicContact CG1-CD1 3.66Å; V596-L638 HydrophobicContact CG1-CG 4.26Å; V596-I814 HydrophobicContact CG2-CD1 3.5Å; V596-I814 VanDerWaalsContact CG2-CD1 3.5Å; V596-L818 HydrophobicContact CG2-CD1 3.8Å |
| 597 | C | 90 | Very high | 78.8 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.8 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | F593 Q594 D595 K599 Y600 F601 | F593-C597 WeakPolarHBondContact O-CB 3.3Å; F593-C597 PolarHBondContact O-N 3.5Å; F593-C597 PolarHBondContact O-SG 3.46Å; F593-C597 VanDerWaalsContact O-SG 3.34Å; Q594-C597 WeakPolarHBondContact O-CB 3.44Å; Q594-C597 PolarHBondContact O-N 3.36Å; D595-C597 VanDerWaalsContact C-N 3.32Å; D595-C597 PolarHBondContact O-N 3.22Å; C597-K599 VanDerWaalsContact C-N 3.34Å; C597-K599 PolarHBondContact O-N 3.06Å; C597-Y600 PolarHBondContact O-N 3.21Å; C597-F601 HydrophobicContact CB-CD2 4.45Å; C597-F601 WeakPolarHBondContact O-CB 3.2Å; C597-F601 WeakPolarHBondContact O-CD2 3.4Å; C597-F601 PolarHBondContact O-N 2.78Å |
| 598 | R | 88.2 | Confident | 76.1 | Confident | 81 Ų | 81 | 76.1 Ų | 76.1 | 31% | 0.306 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 176.2 | -77.3 | 172.6 | 171.8 | 168.6 | -3.2 | 110.9 | E552 Q594 D595 R602 | E552-R598 VanDerWaalsContact CD-NH2 3.34Å; E552-R598 IonicContact OE1-NH1 3.28Å; E552-R598 IonicContact OE1-NH2 3.4Å; E552-R598 PolarHBondContact OE1-NH2 3.31Å; E552-R598 VanDerWaalsContact OE1-NH2 3.13Å; E552-R598 IonicContact OE2-CZ 2.76Å; E552-R598 IonicContact OE2-NH1 3.66Å; E552-R598 PolarHBondContact OE2-NH1 2.83Å; E552-R598 IonicContact OE2-NH2 3.13Å; E552-R598 PolarHBondContact OE2-NH2 3.45Å; Q594-R598 VanDerWaalsContact NE2-NH2 3.14Å; Q594-R598 WeakPolarHBondContact O-CG 3.42Å; Q594-R598 PolarHBondContact O-N 3.36Å; D595-R598 PolarHBondContact O-N 2.59Å; D595-R598 IonicContact OD1-NH1 3.2Å; R598-R602 WeakPolarHBondContact O-CB 3.31Å; R598-R602 PolarHBondContact O-N 3.43Å; R598-R602 VanDerWaalsContact O-N 3.16Å |
| 599 | K | 85.5 | Confident | 73.5 | Confident | 63 Ų | 63 | 83.7 Ų | 83.7 | 27% | 0.274 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.9 | -52.5 | 178.7 | -176.1 | 173.4 | -178.4 | -176.7 | 0 | 112.1 | D595 V596 C597 K817 L818 | D595-K599 PolarHBondContact O-N 3.29Å; V596-K599 PolarHBondContact O-N 3.12Å; C597-K599 VanDerWaalsContact C-N 3.34Å; C597-K599 PolarHBondContact O-N 3.06Å; K599-K817 PolarHBondContact NZ-O 3.29Å; K599-L818 HydrophobicContact CB-CD2 4.06Å; K599-L818 HydrophobicContact CD-CD2 3.78Å |
| 600 | Y | 84.5 | Confident | 70.7 | Confident | 45 Ų | 45 | 93.1 Ų | 93.1 | 18% | 0.176 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -88.4 | -11.5 | -169.6 | -72 | -69.2 | 0 | 0 | 0 | 116.2 | V596 C597 K634 A637 L638 | V596-Y600 HydrophobicContact CG1-CD2 3.83Å; V596-Y600 HydrophobicContact CG1-CE2 4.09Å; V596-Y600 WeakPolarHBondContact O-CD2 3.49Å; V596-Y600 PolarHBondContact O-N 3.41Å; C597-Y600 PolarHBondContact O-N 3.21Å; Y600-K634 HydrophobicContact CD1-CB 4.03Å; Y600-K634 HydrophobicContact CD1-CD 3.89Å; Y600-K634 HydrophobicContact CD1-CG 3.75Å; Y600-K634 HydrophobicContact CD2-CG 4.38Å; Y600-K634 HydrophobicContact CE1-CB 4.03Å; Y600-K634 HydrophobicContact CE1-CG 4.24Å; Y600-K634 HydrophobicContact CG-CB 4.5Å; Y600-K634 HydrophobicContact CG-CD 4.1Å; Y600-K634 HydrophobicContact CG-CG 3.83Å; Y600-K634 PolarHBondContact O-NZ 2.9Å; Y600-A637 HydrophobicContact CE2-CB 3.68Å; Y600-L638 HydrophobicContact CD2-CD1 4.19Å |
| 601 | F | 80.9 | Confident | 68.1 | Low | 98 Ų | 98 | 97.1 Ų | 97.1 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -119 | -14.4 | -179.4 | -65.7 | -83 | 0 | 0 | 0 | 114.7 | C597 L638 | C597-F601 HydrophobicContact CB-CD2 4.45Å; C597-F601 WeakPolarHBondContact O-CB 3.2Å; C597-F601 WeakPolarHBondContact O-CD2 3.4Å; C597-F601 PolarHBondContact O-N 2.78Å; F601-L638 HydrophobicContact CE2-CD1 3.77Å; F601-L638 HydrophobicContact CE2-CD2 3.71Å; F601-L638 HydrophobicContact CE2-CG 4.32Å; F601-L638 HydrophobicContact CZ-CD2 4Å |
| 602 | R | 65.1 | Low | 65.2 | Low | 195 Ų | 195 | 105.5 Ų | 105.5 | 74% | 0.736 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -86.5 | -26 | 178.1 | -162.5 | 172.6 | 154.1 | -178.1 | -6.9 | 113.1 | R598 Q604 | R598-R602 WeakPolarHBondContact O-CB 3.31Å; R598-R602 PolarHBondContact O-N 3.43Å; R598-R602 VanDerWaalsContact O-N 3.16Å; R602-Q604 PolarHBondContact O-N 2.88Å |
| 603 | E | 53.4 | Low | 62.4 | Low | 148 Ų | 148 | 113.4 Ų | 113.4 | 69% | 0.692 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -69.3 | -14.6 | 176.9 | -75.1 | 179.3 | 168.9 | 0 | 0 | 113.9 | K605 | E603-K605 VanDerWaalsContact C-N 3.28Å; E603-K605 PolarHBondContact O-N 3.37Å |
| 604 | Q | 47.1 | Very low | 59.6 | Low | 156 Ų | 156 | 118.4 Ų | 118.4 | 73% | 0.729 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -80.6 | -2.9 | -178.3 | -135.9 | 176 | -1.7 | 0 | 0 | 114.3 | R602 | R602-Q604 PolarHBondContact O-N 2.88Š|
| 605 | K | 42.1 | Very low | 56.8 | Low | 206 Ų | 206 | 121.6 Ų | 121.6 | 90% | 0.896 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -94.9 | -0.2 | 179.2 | -99 | -176.8 | 175.9 | -177.8 | 0 | 114.7 | E603 | E603-K605 VanDerWaalsContact C-N 3.28Å; E603-K605 PolarHBondContact O-N 3.37Å |
| 606 | G | 41.6 | Very low | 54.5 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -120.3 | 14.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 607 | S | 38 | Very low | 51.5 | Low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | trans | -133.8 | 50 | 177.9 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 608 | G | 39.9 | Very low | 49.1 | Very low | 61 Ų | 61 | 138.9 Ų | 138.9 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -111.1 | 127.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||
| 609 | D | 42.5 | Very low | 46.6 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | 85.4 | 83.8 | 177 | -50.8 | -20.7 | 0 | 0 | 0 | 116 | ||||
| 610 | E | 35.1 | Very low | 44 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | -162.2 | 86 | 129.9 | -104.7 | 174.6 | -159.4 | 0 | 0 | 107.7 | |||||
| 611 | E | 39.8 | Very low | 41.6 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -68 | 116.1 | 157.2 | -87.8 | -179.6 | 149 | 0 | 0 | 108.1 | ||||
| 612 | E | 33.8 | Very low | 39.5 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -131.3 | 109.8 | 155.3 | -130.2 | -180 | -170.9 | 0 | 0 | 110 | ||||
| 613 | H | 35.5 | Very low | 38 | Very low | 171 Ų | 171 | 146 Ų | 146 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -50.1 | 132.8 | 169.2 | -86 | -90.8 | 0 | 0 | 0 | 111.8 | ||||
| 614 | L | 34.5 | Very low | 37.4 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -160.8 | 140.6 | 138.5 | -97.2 | 162.9 | 0 | 0 | 0 | 109.7 | ||||
| 615 | L | 33.9 | Very low | 37.1 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -67.3 | 163.6 | -156.2 | -72.7 | 158.5 | 0 | 0 | 0 | 117.6 | ||||
| 616 | P | 42.4 | Very low | 37.2 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -92.2 | 140.9 | -174.5 | 35.7 | -30.3 | 0 | 0 | 0 | 112.9 | ||||
| 617 | S | 28.7 | Very low | 37.5 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -142 | 121.9 | 153.3 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 618 | K | 38.9 | Very low | 37.7 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -18.9 | 125.2 | 163.5 | -85.1 | 169.6 | 165.8 | 175.6 | 0 | 116.9 | ||||
| 619 | D | 34.9 | Very low | 38.4 | Very low | 163 Ų | 163 | 147 Ų | 147 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | 172.3 | 136.3 | 102.7 | -87.5 | -28.1 | 0 | 0 | 0 | 110.8 | |||||
| 620 | G | 30.8 | Very low | 39.2 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 136.7 | 107.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 621 | H | 34.4 | Very low | 40.6 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | trans | -56.2 | 132.9 | -179 | -77.8 | -89.3 | 0 | 0 | 0 | 116 | ||||
| 622 | S | 36.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 39.6 | 116.5 | 140.9 | 63 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 623 | S | 33.3 | Very low | 44.3 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | -144.3 | 116.5 | 122.2 | 93.8 | 0 | 0 | 0 | 0 | 110.3 | H625 | S623-H625 PolarHBondContact O-N 2.91Š| |||
| 624 | A | 42.2 | Very low | 46.7 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -89.5 | 28.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 625 | H | 40.7 | Very low | 49.2 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 61% | 0.606 | 66% | 0.664 | S | S | * | * | trans | -105.9 | -14.2 | -174.6 | -84.4 | -63.6 | 0 | 0 | 0 | 119 | S623 K627 | S623-H625 PolarHBondContact O-N 2.91Å; H625-K627 PolarHBondContact O-N 3.18Å | ||
| 626 | P | 44.9 | Very low | 51.9 | Low | 78 Ų | 78 | 115.6 Ų | 115.6 | 51% | 0.506 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.3 | -27.2 | -174.1 | 9.9 | -7.7 | 0 | 0 | 0 | 114.6 | V630 | P626-V630 VanDerWaalsContact O-CG2 3.22Å; P626-V630 WeakPolarHBondContact O-CG2 3.3Å |
| 627 | K | 46.4 | Very low | 54.2 | Low | 185 Ų | 185 | 110 Ų | 110 | 80% | 0.804 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77 | -28.6 | -175.2 | -74.2 | -176.2 | 177.7 | -180 | 0 | 113.9 | H625 V631 | H625-K627 PolarHBondContact O-N 3.18Å; K627-V631 WeakPolarHBondContact O-CG2 3.24Å |
| 628 | Q | 42.1 | Very low | 57.2 | Low | 147 Ų | 147 | 105.4 Ų | 105.4 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -83.7 | -35.2 | -174.2 | -158.2 | 169 | 4.1 | 0 | 0 | 112.6 | S632 | Q628-S632 PolarHBondContact O-N 3.34Å |
| 629 | E | 54.3 | Low | 59.8 | Low | 134 Ų | 134 | 98.9 Ų | 98.9 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -41.6 | 173.6 | -73.2 | -174.1 | 157.3 | 0 | 0 | 111.9 | V631 S632 E633 | E629-V631 VanDerWaalsContact C-N 3.35Å; E629-V631 PolarHBondContact O-N 3.49Å; E629-S632 PolarHBondContact O-N 3Å; E629-E633 WeakPolarHBondContact O-CG 3.34Å; E629-E633 PolarHBondContact O-N 3.44Å |
| 630 | V | 61 | Low | 62.7 | Low | 94 Ų | 94 | 91.3 Ų | 91.3 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | 180 | 175.5 | 0 | 0 | 0 | 0 | 112.4 | P626 K634 | P626-V630 VanDerWaalsContact O-CG2 3.22Å; P626-V630 WeakPolarHBondContact O-CG2 3.3Å; V630-K634 PolarHBondContact O-N 3.23Å |
| 631 | V | 62.9 | Low | 65.7 | Low | 83 Ų | 83 | 87.7 Ų | 87.7 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 111 | K627 E629 E633 K634 W635 | K627-V631 WeakPolarHBondContact O-CG2 3.24Å; E629-V631 VanDerWaalsContact C-N 3.35Å; E629-V631 PolarHBondContact O-N 3.49Å; V631-E633 PolarHBondContact O-N 3.14Å; V631-K634 PolarHBondContact O-N 3.38Å; V631-W635 PolarHBondContact O-N 3.03Å |
| 632 | S | 73.2 | Confident | 68.6 | Low | 68 Ų | 68 | 81.4 Ų | 81.4 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | Q628 E629 W635 L636 | Q628-S632 PolarHBondContact O-N 3.34Å; E629-S632 PolarHBondContact O-N 3Å; S632-W635 PolarHBondContact O-N 2.74Å; S632-L636 WeakPolarHBondContact O-CG 3.27Å; S632-L636 PolarHBondContact O-N 2.91Å; S632-L636 VanDerWaalsContact O-N 3.17Å |
| 633 | E | 78.8 | Confident | 71.5 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 34% | 0.341 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 178.1 | -74.4 | -168.2 | 167.1 | 0 | 0 | 112.9 | E629 V631 W635 L636 A637 K817 | E629-E633 WeakPolarHBondContact O-CG 3.34Å; E629-E633 PolarHBondContact O-N 3.44Å; V631-E633 PolarHBondContact O-N 3.14Å; E633-W635 PolarHBondContact O-N 2.73Å; E633-L636 PolarHBondContact O-N 3.47Å; E633-A637 PolarHBondContact O-N 3.47Å; E633-K817 IonicContact OE1-NZ 2.66Å; E633-K817 WeakPolarHBondContact OE2-CE 3.31Å; E633-K817 IonicContact OE2-NZ 3.82Å; E633-K817 PolarHBondContact OE2-NZ 2.89Å |
| 634 | K | 85 | Confident | 74.4 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 19% | 0.187 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 174.7 | 170.1 | 172.2 | 169.7 | 164.6 | 0 | 111.6 | Y600 V630 V631 A637 L638 | Y600-K634 HydrophobicContact CD1-CB 4.03Å; Y600-K634 HydrophobicContact CD1-CD 3.89Å; Y600-K634 HydrophobicContact CD1-CG 3.75Å; Y600-K634 HydrophobicContact CD2-CG 4.38Å; Y600-K634 HydrophobicContact CE1-CB 4.03Å; Y600-K634 HydrophobicContact CE1-CG 4.24Å; Y600-K634 HydrophobicContact CG-CB 4.5Å; Y600-K634 HydrophobicContact CG-CD 4.1Å; Y600-K634 HydrophobicContact CG-CG 3.83Å; Y600-K634 PolarHBondContact O-NZ 2.9Å; V630-K634 PolarHBondContact O-N 3.23Å; V631-K634 PolarHBondContact O-N 3.38Å; K634-A637 PolarHBondContact O-N 3.47Å; K634-L638 PolarHBondContact O-N 2.89Å |
| 635 | W | 87.7 | Confident | 77 | Confident | 157 Ų | 157 | 72.9 Ų | 72.9 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 179.4 | -68.6 | 113.6 | 0 | 0 | 0 | 112.5 | V631 S632 E633 L638 A639 | V631-W635 PolarHBondContact O-N 3.03Å; S632-W635 PolarHBondContact O-N 2.74Å; E633-W635 PolarHBondContact O-N 2.73Å; W635-L638 PolarHBondContact O-N 3.01Å; W635-A639 VanDerWaalsContact O-CB 3.31Å; W635-A639 WeakPolarHBondContact O-CB 3.47Å; W635-A639 PolarHBondContact O-N 3.31Å |
| 636 | L | 91 | Very high | 79.5 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 175.5 | -71.6 | 167.9 | 0 | 0 | 0 | 112.2 | S632 E633 A639 T640 F813 | S632-L636 WeakPolarHBondContact O-CG 3.27Å; S632-L636 PolarHBondContact O-N 2.91Å; S632-L636 VanDerWaalsContact O-N 3.17Å; E633-L636 PolarHBondContact O-N 3.47Å; L636-A639 PolarHBondContact O-N 3.26Å; L636-T640 WeakPolarHBondContact O-CB 3.42Å; L636-T640 PolarHBondContact O-N 3.24Å; L636-T640 PolarHBondContact O-OG1 3.38Å; L636-F813 HydrophobicContact CB-CD1 3.94Å; L636-F813 HydrophobicContact CB-CD2 4.46Å; L636-F813 HydrophobicContact CB-CE1 3.8Å; L636-F813 HydrophobicContact CB-CE2 4.34Å; L636-F813 HydrophobicContact CB-CG 4.28Å; L636-F813 HydrophobicContact CB-CZ 4.02Å; L636-F813 HydrophobicContact CD1-CE1 3.82Å; L636-F813 HydrophobicContact CD1-CZ 3.76Å; L636-F813 HydrophobicContact CG-CE1 4.44Å; L636-F813 HydrophobicContact CG-CZ 4.39Å |
| 637 | A | 90.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | V596 Y600 E633 K634 P641 F813 | V596-A637 HydrophobicContact CG1-CB 4.24Å; Y600-A637 HydrophobicContact CE2-CB 3.68Å; E633-A637 PolarHBondContact O-N 3.47Å; K634-A637 PolarHBondContact O-N 3.47Å; A637-P641 VanDerWaalsContact O-CD 3.29Å; A637-P641 WeakPolarHBondContact O-CD 3.39Å; A637-F813 HydrophobicContact CB-CB 4.2Å |
| 638 | L | 92.1 | Very high | 84.1 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175 | -114.9 | 84.6 | 0 | 0 | 0 | 113 | F593 V596 Y600 F601 K634 W635 P642 | F593-L638 WeakPolarHBondContact CE2-O 3.45Å; V596-L638 HydrophobicContact CG1-CD1 3.66Å; V596-L638 HydrophobicContact CG1-CG 4.26Å; Y600-L638 HydrophobicContact CD2-CD1 4.19Å; F601-L638 HydrophobicContact CE2-CD1 3.77Å; F601-L638 HydrophobicContact CE2-CD2 3.71Å; F601-L638 HydrophobicContact CE2-CG 4.32Å; F601-L638 HydrophobicContact CZ-CD2 4Å; K634-L638 PolarHBondContact O-N 2.89Å; W635-L638 PolarHBondContact O-N 3.01Å; L638-P642 VanDerWaalsContact O-CD 3.28Å; L638-P642 WeakPolarHBondContact O-CD 3.26Å |
| 639 | A | 93.8 | Very high | 86.5 | Confident | 55 Ų | 55 | 61.3 Ų | 61.3 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -76.6 | -22.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | W635 L636 P642 F643 | W635-A639 VanDerWaalsContact O-CB 3.31Å; W635-A639 WeakPolarHBondContact O-CB 3.47Å; W635-A639 PolarHBondContact O-N 3.31Å; L636-A639 PolarHBondContact O-N 3.26Å; A639-P642 WeakPolarHBondContact O-CD 3.45Å; A639-F643 WeakPolarHBondContact O-CB 3.16Å; A639-F643 PolarHBondContact O-N 3.05Å |
| 640 | T | 95.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | -172.8 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | L636 F643 T644 L809 M810 I814 | L636-T640 WeakPolarHBondContact O-CB 3.42Å; L636-T640 PolarHBondContact O-N 3.24Å; L636-T640 PolarHBondContact O-OG1 3.38Å; T640-F643 PolarHBondContact O-N 2.94Å; T640-T644 WeakPolarHBondContact O-CB 3.28Å; T640-T644 PolarHBondContact O-N 2.9Å; T640-T644 PolarHBondContact O-OG1 3.2Å; T640-L809 HydrophobicContact CG2-CB 3.8Å; T640-M810 HydrophobicContact CG2-CE 3.79Å; T640-M810 HydrophobicContact CG2-SD 4.08Å; T640-I814 HydrophobicContact CG2-CD1 4.27Å; T640-I814 HydrophobicContact CG2-CG1 3.78Å |
| 641 | P | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 179.5 | -17.6 | 30.1 | 0 | 0 | 0 | 114.2 | C589 V592 F593 A637 F643 T644 L645 I814 | C589-P641 WeakPolarHBondContact O-CB 3.3Å; V592-P641 HydrophobicContact CG1-CG 4.1Å; F593-P641 HydrophobicContact CB-CB 3.89Å; F593-P641 HydrophobicContact CB-CG 4.15Å; F593-P641 HydrophobicContact CD2-CB 4.35Å; F593-P641 HydrophobicContact CD2-CG 4.27Å; A637-P641 VanDerWaalsContact O-CD 3.29Å; A637-P641 WeakPolarHBondContact O-CD 3.39Å; P641-F643 VanDerWaalsContact C-N 3.33Å; P641-F643 PolarHBondContact O-N 3.03Å; P641-T644 WeakPolarHBondContact O-CB 3.49Å; P641-T644 PolarHBondContact O-N 2.92Å; P641-T644 VanDerWaalsContact O-N 3.15Å; P641-L645 PolarHBondContact O-N 2.94Å; P641-I814 HydrophobicContact CG-CD1 4.19Å |
| 642 | P | 95.3 | Very high | 91 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 173 | -25.3 | 34.7 | 0 | 0 | 0 | 113.4 | F593 L638 A639 T644 L645 L646 | F593-P642 HydrophobicContact CD2-CG 3.93Å; F593-P642 HydrophobicContact CE2-CG 3.85Å; L638-P642 VanDerWaalsContact O-CD 3.28Å; L638-P642 WeakPolarHBondContact O-CD 3.26Å; A639-P642 WeakPolarHBondContact O-CD 3.45Å; P642-T644 VanDerWaalsContact C-N 3.31Å; P642-T644 PolarHBondContact O-N 3.47Å; P642-L645 PolarHBondContact O-N 3.28Å; P642-L646 PolarHBondContact O-N 3.43Å |
| 643 | F | 95.9 | Very high | 91.7 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 34% | 0.342 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.5 | 177.6 | -97.3 | 0 | 0 | 0 | 111.8 | A639 T640 P641 L646 C647 L805 L809 | A639-F643 WeakPolarHBondContact O-CB 3.16Å; A639-F643 PolarHBondContact O-N 3.05Å; T640-F643 PolarHBondContact O-N 2.94Å; P641-F643 VanDerWaalsContact C-N 3.33Å; P641-F643 PolarHBondContact O-N 3.03Å; F643-L646 PolarHBondContact O-N 3.31Å; F643-C647 WeakPolarHBondContact CE1-SG 3.5Å; F643-C647 VanDerWaalsContact CZ-SG 3.5Å; F643-C647 PolarHBondContact O-N 3.3Å; F643-C647 PolarHBondContact O-SG 3.4Å; F643-L805 HydrophobicContact CE1-CD2 3.64Å; F643-L805 HydrophobicContact CE1-CG 4.14Å; F643-L805 HydrophobicContact CZ-CD2 3.63Å; F643-L809 HydrophobicContact CD1-CD1 3.53Å; F643-L809 HydrophobicContact CE1-CD1 3.62Å |
| 644 | T | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | T640 P641 P642 L646 C647 C648 I806 M810 F832 | T640-T644 WeakPolarHBondContact O-CB 3.28Å; T640-T644 PolarHBondContact O-N 2.9Å; T640-T644 PolarHBondContact O-OG1 3.2Å; P641-T644 WeakPolarHBondContact O-CB 3.49Å; P641-T644 PolarHBondContact O-N 2.92Å; P641-T644 VanDerWaalsContact O-N 3.15Å; P642-T644 VanDerWaalsContact C-N 3.31Å; P642-T644 PolarHBondContact O-N 3.47Å; T644-L646 VanDerWaalsContact C-N 3.32Å; T644-L646 PolarHBondContact O-N 3.01Å; T644-C647 WeakPolarHBondContact O-CB 3.38Å; T644-C647 PolarHBondContact O-N 2.95Å; T644-C648 PolarHBondContact O-N 3.27Å; T644-C648 PolarHBondContact O-SG 3.44Å; T644-I806 HydrophobicContact CG2-CD1 4.01Å; T644-I806 HydrophobicContact CG2-CG1 4.13Å; T644-I806 HydrophobicContact CG2-CG2 3.87Å; T644-M810 HydrophobicContact CG2-CE 3.86Å; T644-M810 WeakPolarHBondContact OG1-CE 3.43Å; T644-F832 HydrophobicContact CG2-CE1 3.9Å; T644-F832 HydrophobicContact CG2-CZ 4.07Å |
| 645 | L | 95.1 | Very high | 92.2 | Very high | 43 Ų | 43 | 52.2 Ų | 52.2 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 174.1 | -73.9 | 172.1 | 0 | 0 | 0 | 112.1 | N586 C589 L590 P641 P642 C648 R649 | N586-L645 HydrophobicContact CB-CD2 4.05Å; N586-L645 WeakPolarHBondContact OD1-CD2 3.38Å; C589-L645 HydrophobicContact CB-CD1 4.17Å; C589-L645 HydrophobicContact CB-CD2 3.61Å; C589-L645 HydrophobicContact CB-CG 3.67Å; L590-L645 HydrophobicContact CD2-CD1 3.99Å; L590-L645 HydrophobicContact CG-CD1 4.44Å; P641-L645 PolarHBondContact O-N 2.94Å; P642-L645 PolarHBondContact O-N 3.28Å; L645-C648 PolarHBondContact O-N 3.48Å; L645-R649 WeakPolarHBondContact O-CB 3.38Å; L645-R649 PolarHBondContact O-N 2.64Å |
| 646 | L | 95 | Very high | 91.8 | Very high | 101 Ų | 101 | 47.5 Ų | 47.5 | 53% | 0.529 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.2 | 179.2 | 63.3 | 0 | 0 | 0 | 111.1 | P642 F643 T644 R649 L650 | P642-L646 PolarHBondContact O-N 3.43Å; F643-L646 PolarHBondContact O-N 3.31Å; T644-L646 VanDerWaalsContact C-N 3.32Å; T644-L646 PolarHBondContact O-N 3.01Å; L646-R649 PolarHBondContact O-N 2.84Å; L646-L650 HydrophobicContact CG-CD1 4.37Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 2.93Å |
| 647 | C | 94 | Very high | 91.4 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 175.9 | -69 | 0 | 0 | 0 | 0 | 111.5 | F643 T644 R649 L650 L651 I806 | F643-C647 WeakPolarHBondContact CE1-SG 3.5Å; F643-C647 VanDerWaalsContact CZ-SG 3.5Å; F643-C647 PolarHBondContact O-N 3.3Å; F643-C647 PolarHBondContact O-SG 3.4Å; T644-C647 WeakPolarHBondContact O-CB 3.38Å; T644-C647 PolarHBondContact O-N 2.95Å; C647-R649 VanDerWaalsContact C-N 3.26Å; C647-R649 PolarHBondContact O-N 2.88Å; C647-L650 PolarHBondContact O-N 3.12Å; C647-L650 VanDerWaalsContact O-N 3.14Å; C647-L651 WeakPolarHBondContact O-CB 3.47Å; C647-L651 VanDerWaalsContact O-CG 3.28Å; C647-L651 WeakPolarHBondContact O-CG 3.45Å; C647-L651 PolarHBondContact O-N 2.85Å; C647-I806 HydrophobicContact CB-CD1 3.91Å |
| 648 | C | 93 | Very high | 90.7 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -39.3 | 177.3 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | T644 L645 L651 R652 F839 | T644-C648 PolarHBondContact O-N 3.27Å; T644-C648 PolarHBondContact O-SG 3.44Å; L645-C648 PolarHBondContact O-N 3.48Å; C648-L651 PolarHBondContact O-N 3.33Å; C648-R652 WeakPolarHBondContact O-CB 3.46Å; C648-R652 PolarHBondContact O-N 2.97Å; C648-F839 HydrophobicContact CB-CE2 4.43Å; C648-F839 HydrophobicContact CB-CZ 3.84Å |
| 649 | R | 91.8 | Very high | 89.5 | Confident | 184 Ų | 184 | 47.5 Ų | 47.5 | 69% | 0.694 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.5 | -43.7 | 176.2 | -176.9 | 128 | -178.5 | 155 | -0.2 | 112.3 | L645 L646 C647 R652 S653 | L645-R649 WeakPolarHBondContact O-CB 3.38Å; L645-R649 PolarHBondContact O-N 2.64Å; L646-R649 PolarHBondContact O-N 2.84Å; C647-R649 VanDerWaalsContact C-N 3.26Å; C647-R649 PolarHBondContact O-N 2.88Å; R649-R652 PolarHBondContact O-N 3.35Å; R649-S653 PolarHBondContact O-N 3.44Å |
| 650 | L | 91.1 | Very high | 88.1 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 176.3 | -68 | 172.1 | 0 | 0 | 0 | 111.4 | L646 C647 R652 S653 L654 | L646-L650 HydrophobicContact CG-CD1 4.37Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 2.93Å; C647-L650 PolarHBondContact O-N 3.12Å; C647-L650 VanDerWaalsContact O-N 3.14Å; L650-R652 VanDerWaalsContact C-N 3.3Å; L650-R652 PolarHBondContact O-N 3.4Å; L650-S653 PolarHBondContact O-N 3.43Å; L650-S653 VanDerWaalsContact O-N 3.08Å; L650-S653 PolarHBondContact O-OG 3.46Å; L650-L654 PolarHBondContact O-N 3.33Å; L650-L654 VanDerWaalsContact O-N 3.16Å |
| 651 | L | 92.3 | Very high | 86.7 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 178 | -69 | 178.9 | 0 | 0 | 0 | 112.2 | C647 C648 S653 L654 V799 C802 F836 F839 | C647-L651 WeakPolarHBondContact O-CB 3.47Å; C647-L651 VanDerWaalsContact O-CG 3.28Å; C647-L651 WeakPolarHBondContact O-CG 3.45Å; C647-L651 PolarHBondContact O-N 2.85Å; C648-L651 PolarHBondContact O-N 3.33Å; L651-S653 PolarHBondContact O-N 3.18Å; L651-L654 HydrophobicContact CD2-CD2 4.43Å; L651-L654 WeakPolarHBondContact O-CB 3.41Å; L651-L654 PolarHBondContact O-N 2.65Å; L651-L654 VanDerWaalsContact O-N 3.07Å; L651-V799 HydrophobicContact CD2-CB 4.35Å; L651-V799 HydrophobicContact CD2-CG2 4.14Å; L651-C802 HydrophobicContact CD1-CB 3.87Å; L651-C802 HydrophobicContact CD2-CB 4.02Å; L651-C802 HydrophobicContact CG-CB 4.27Å; L651-F836 HydrophobicContact CD1-CE1 3.87Å; L651-F836 HydrophobicContact CD1-CZ 3.91Å; L651-F839 HydrophobicContact CB-CB 4.13Å; L651-F839 HydrophobicContact CB-CD1 3.69Å; L651-F839 HydrophobicContact CB-CD2 4.31Å; L651-F839 HydrophobicContact CB-CE1 4.14Å; L651-F839 HydrophobicContact CB-CG 3.8Å; L651-F839 HydrophobicContact CD1-CB 4.45Å; L651-F839 HydrophobicContact CD1-CD2 3.95Å; L651-F839 HydrophobicContact CD1-CE2 4.39Å; L651-F839 HydrophobicContact CD1-CG 4.17Å |
| 652 | R | 89.6 | Confident | 85.2 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 44% | 0.438 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -29.2 | 174.9 | -161.1 | -178.3 | 83.4 | 162.4 | 8.5 | 113.4 | Y582 C648 R649 L650 F839 | Y582-R652 HydrophobicContact CD2-CG 4.06Å; Y582-R652 HydrophobicContact CE2-CG 3.62Å; C648-R652 WeakPolarHBondContact O-CB 3.46Å; C648-R652 PolarHBondContact O-N 2.97Å; R649-R652 PolarHBondContact O-N 3.35Å; L650-R652 VanDerWaalsContact C-N 3.3Å; L650-R652 PolarHBondContact O-N 3.4Å; R652-F839 HydrophobicContact CB-CE1 4.24Å |
| 653 | S | 87.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 62 Ų | 62 | 42% | 0.42 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -83.4 | -15.2 | 175 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | R649 L650 L651 V667 | R649-S653 PolarHBondContact O-N 3.44Å; L650-S653 PolarHBondContact O-N 3.43Å; L650-S653 VanDerWaalsContact O-N 3.08Å; L650-S653 PolarHBondContact O-OG 3.46Å; L651-S653 PolarHBondContact O-N 3.18Å; S653-V667 WeakPolarHBondContact O-CB 3.49Å; S653-V667 VanDerWaalsContact O-CG2 3.27Å; S653-V667 WeakPolarHBondContact O-CG2 3.43Å; S653-V667 PolarHBondContact O-N 3.02Å |
| 654 | L | 88.1 | Confident | 82.2 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.3 | -54 | -176.6 | -174 | 59.8 | 0 | 0 | 0 | 110.9 | L650 L651 V667 S668 L671 P798 V799 | L650-L654 PolarHBondContact O-N 3.33Å; L650-L654 VanDerWaalsContact O-N 3.16Å; L651-L654 HydrophobicContact CD2-CD2 4.43Å; L651-L654 WeakPolarHBondContact O-CB 3.41Å; L651-L654 PolarHBondContact O-N 2.65Å; L651-L654 VanDerWaalsContact O-N 3.07Å; L654-V667 HydrophobicContact CD1-CB 4.3Å; L654-V667 HydrophobicContact CD1-CG1 3.98Å; L654-S668 VanDerWaalsContact O-CB 3.25Å; L654-S668 WeakPolarHBondContact O-CB 3.45Å; L654-S668 PolarHBondContact O-N 3.39Å; L654-L671 HydrophobicContact CD1-CD1 3.92Å; L654-P798 HydrophobicContact CD2-CB 4Å; L654-P798 HydrophobicContact CD2-CG 4.39Å; L654-V799 HydrophobicContact CD2-CG2 3.62Å |
| 655 | N | 86.5 | Confident | 80.9 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -123.3 | 128.2 | 177.6 | -55.2 | -64 | 0 | 0 | 0 | 109.2 | D666 S668 N796 F839 | N655-D666 WeakPolarHBondContact CA-OD2 3.47Å; N655-S668 WeakPolarHBondContact OD1-CB 3.42Å; N655-N796 PolarHBondContact ND2-OD1 3.48Å; N655-N796 PolarHBondContact OD1-OD1 3.43Å; N655-F839 PolarHBondContact ND2-O 3.49Å |
| 656 | Q | 79.6 | Confident | 80.2 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | trans | -70.8 | 146.2 | 167.3 | -78.6 | 176.1 | 24.3 | 0 | 0 | 110.9 | W661 L664 D666 | Q656-W661 PolarHBondContact OE1-O 3.11Å; Q656-L664 VanDerWaalsContact CD-O 3.28Å; Q656-L664 PolarHBondContact NE2-O 3.49Å; Q656-L664 PolarHBondContact OE1-O 2.85Å; Q656-L664 VanDerWaalsContact OE1-O 3.08Å; Q656-D666 HydrophobicContact CB-CB 4.42Å; Q656-D666 HydrophobicContact CG-CB 3.77Å; Q656-D666 PolarHBondContact N-OD2 3.39Å | ||
| 657 | T | 82.3 | Confident | 79.7 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | trans | -134.2 | 150.7 | -179.4 | 50.2 | 0 | 0 | 0 | 0 | 110 | H578 Y582 Y838 | H578-T657 PolarHBondContact CD2-OG1 3.26Å; H578-T657 PolarHBondContact CE1-O 2.75Å; H578-T657 VanDerWaalsContact CG-OG1 3.23Å; H578-T657 PolarHBondContact NE2-O 3.38Å; H578-T657 PolarHBondContact NE2-OG1 3.37Å; Y582-T657 PolarHBondContact OH-OG1 3.21Å; T657-Y838 WeakPolarHBondContact CG2-O 3.09Å | ||
| 658 | G | 75.1 | Confident | 79.1 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 88.9 | -170.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 659 | V | 67.4 | Low | 78.5 | Confident | 71 Ų | 71 | 68 Ų | 68 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -103.3 | -34.7 | -178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | E575 E576 W661 A662 | E575-V659 HydrophobicContact CG-CB 4.13Å; E575-V659 HydrophobicContact CG-CG2 3.71Å; E575-V659 WeakPolarHBondContact OE1-CB 3.32Å; E575-V659 VanDerWaalsContact OE1-CG2 3.23Å; E575-V659 WeakPolarHBondContact OE1-CG2 3.46Å; E576-V659 PolarHBondContact OE1-N 2.92Å; V659-W661 PolarHBondContact O-N 3.41Å; V659-A662 PolarHBondContact O-N 3.3Å |
| 660 | Q | 63.5 | Low | 78 | Confident | 119 Ų | 119 | 65 Ų | 65 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 128.9 | 175.8 | -64.8 | -169.1 | 0.5 | 0 | 0 | 109.9 | E576 A662 | E576-Q660 PolarHBondContact OE1-N 3.29Å; Q660-A662 PolarHBondContact O-N 3.33Å |
| 661 | W | 66.3 | Low | 77.6 | Confident | 166 Ų | 166 | 60.4 Ų | 60.4 | 63% | 0.629 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -1.1 | 179.7 | -42.4 | 101.6 | 0 | 0 | 0 | 116.5 | Q656 V659 H663 L664 | Q656-W661 PolarHBondContact OE1-O 3.11Å; V659-W661 PolarHBondContact O-N 3.41Å; W661-H663 AromaticContact CE3-CE1 4Å; W661-H663 PolarHBondContact O-N 3.19Å; W661-L664 HydrophobicContact CB-CD1 4.33Å; W661-L664 HydrophobicContact CE3-CD1 3.81Å; W661-L664 WeakPolarHBondContact O-CB 3.49Å; W661-L664 PolarHBondContact O-N 3.09Å |
| 662 | A | 63.4 | Low | 77 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -13.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T274 V659 Q660 | T274-A662 WeakPolarHBondContact CG2-O 3.38Å; V659-A662 PolarHBondContact O-N 3.3Å; Q660-A662 PolarHBondContact O-N 3.33Å |
| 663 | H | 61.8 | Low | 76.3 | Confident | 108 Ų | 108 | 59.6 Ų | 59.6 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.7 | 174.1 | 63.3 | -84.5 | 0 | 0 | 0 | 114.3 | E273 W661 | E273-H663 HydrophobicContact CB-CB 4.05Å; E273-H663 HydrophobicContact CG-CB 3.71Å; W661-H663 AromaticContact CE3-CE1 4Å; W661-H663 PolarHBondContact O-N 3.19Å |
| 664 | L | 67.4 | Low | 75.6 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 42% | 0.419 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -92.5 | 140.7 | -179.5 | -62.9 | 179.4 | 0 | 0 | 0 | 110.3 | Q656 W661 | Q656-L664 VanDerWaalsContact CD-O 3.28Å; Q656-L664 PolarHBondContact NE2-O 3.49Å; Q656-L664 PolarHBondContact OE1-O 2.85Å; Q656-L664 VanDerWaalsContact OE1-O 3.08Å; W661-L664 HydrophobicContact CB-CD1 4.33Å; W661-L664 HydrophobicContact CE3-CD1 3.81Å; W661-L664 WeakPolarHBondContact O-CB 3.49Å; W661-L664 PolarHBondContact O-N 3.09Å |
| 665 | P | 67.8 | Low | 75.2 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 62% | 0.617 | 36% | 0.361 | S | S | * | . | trans | -65.8 | 140.9 | 176.5 | 27.5 | -33.9 | 0 | 0 | 0 | 111.2 | H669 | P665-H669 HydrophobicContact CB-CB 4.45Š| ||
| 666 | D | 79.6 | Confident | 75.2 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | trans | -111.7 | -178 | 175.1 | 68.1 | 16.3 | 0 | 0 | 0 | 112.5 | N655 Q656 S668 H669 W670 | N655-D666 WeakPolarHBondContact CA-OD2 3.47Å; Q656-D666 HydrophobicContact CB-CB 4.42Å; Q656-D666 HydrophobicContact CG-CB 3.77Å; Q656-D666 PolarHBondContact N-OD2 3.39Å; D666-S668 VanDerWaalsContact C-N 3.27Å; D666-S668 PolarHBondContact O-N 3.5Å; D666-S668 WeakPolarHBondContact OD1-CA 3.33Å; D666-S668 WeakPolarHBondContact OD1-CB 3.31Å; D666-S668 PolarHBondContact OD1-N 3.05Å; D666-S668 PolarHBondContact OD1-OG 3.03Å; D666-S668 PolarHBondContact OD2-OG 3.38Å; D666-H669 PolarHBondContact O-N 3.36Å; D666-H669 PolarHBondContact OD1-N 3.3Å; D666-W670 PolarHBondContact O-N 2.96Å | ||
| 667 | V | 84.9 | Confident | 75.4 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 35% | 0.345 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.4 | -32.5 | -179.6 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | S653 L654 W670 L671 | S653-V667 WeakPolarHBondContact O-CB 3.49Å; S653-V667 VanDerWaalsContact O-CG2 3.27Å; S653-V667 WeakPolarHBondContact O-CG2 3.43Å; S653-V667 PolarHBondContact O-N 3.02Å; L654-V667 HydrophobicContact CD1-CB 4.3Å; L654-V667 HydrophobicContact CD1-CG1 3.98Å; V667-W670 PolarHBondContact O-N 3.1Å; V667-L671 HydrophobicContact CG1-CD1 4.09Å; V667-L671 HydrophobicContact CG1-CG 4.26Å; V667-L671 WeakPolarHBondContact O-CB 3.4Å; V667-L671 VanDerWaalsContact O-CG 3.27Å; V667-L671 WeakPolarHBondContact O-CG 3.5Å; V667-L671 PolarHBondContact O-N 2.54Å |
| 668 | S | 82.6 | Confident | 75.6 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.2 | 82.8 | 0 | 0 | 0 | 0 | 111.8 | L654 N655 D666 W670 L671 N672 | L654-S668 VanDerWaalsContact O-CB 3.25Å; L654-S668 WeakPolarHBondContact O-CB 3.45Å; L654-S668 PolarHBondContact O-N 3.39Å; N655-S668 WeakPolarHBondContact OD1-CB 3.42Å; D666-S668 VanDerWaalsContact C-N 3.27Å; D666-S668 PolarHBondContact O-N 3.5Å; D666-S668 WeakPolarHBondContact OD1-CA 3.33Å; D666-S668 WeakPolarHBondContact OD1-CB 3.31Å; D666-S668 PolarHBondContact OD1-N 3.05Å; D666-S668 PolarHBondContact OD1-OG 3.03Å; D666-S668 PolarHBondContact OD2-OG 3.38Å; S668-W670 VanDerWaalsContact C-N 3.33Å; S668-W670 PolarHBondContact O-N 3.38Å; S668-L671 PolarHBondContact O-N 3.22Å; S668-N672 VanDerWaalsContact O-CG 3.28Å; S668-N672 PolarHBondContact O-N 3.28Å; S668-N672 PolarHBondContact O-ND2 3.31Å |
| 669 | H | 78.6 | Confident | 76.4 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.8 | -176.2 | -83.1 | 0 | 0 | 0 | 110.6 | P665 D666 N672 S673 | P665-H669 HydrophobicContact CB-CB 4.45Å; D666-H669 PolarHBondContact O-N 3.36Å; D666-H669 PolarHBondContact OD1-N 3.3Å; H669-N672 PolarHBondContact O-N 3.19Å; H669-S673 PolarHBondContact O-N 2.94Å |
| 670 | W | 83.1 | Confident | 77.5 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 173.1 | -178.8 | 81.8 | 0 | 0 | 0 | 112 | D666 V667 S668 N672 S673 H676 V679 | D666-W670 PolarHBondContact O-N 2.96Å; V667-W670 PolarHBondContact O-N 3.1Å; S668-W670 VanDerWaalsContact C-N 3.33Å; S668-W670 PolarHBondContact O-N 3.38Å; W670-N672 VanDerWaalsContact C-N 3.33Å; W670-N672 PolarHBondContact O-N 3.03Å; W670-S673 WeakPolarHBondContact O-CB 3.35Å; W670-S673 PolarHBondContact O-N 3Å; W670-S673 PolarHBondContact O-OG 2.93Å; W670-H676 AromaticContact CD1-CD2 3.53Å; W670-H676 AromaticContact CD1-NE2 3.57Å; W670-H676 AromaticContact CD2-CD2 3.74Å; W670-H676 AromaticContact CE2-CD2 3.25Å; W670-H676 AromaticContact CE2-CE1 3.84Å; W670-H676 AromaticContact CE2-CG 3.71Å; W670-H676 AromaticContact CE2-NE2 3.36Å; W670-H676 AromaticContact CG-CD2 3.9Å; W670-H676 HydrophobicContact CZ2-CB 4.48Å; W670-H676 AromaticContact CZ2-CD2 3.69Å; W670-H676 AromaticContact CZ2-CE1 3.71Å; W670-H676 AromaticContact CZ2-CG 3.68Å; W670-H676 AromaticContact CZ2-ND1 3.67Å; W670-H676 AromaticContact CZ2-NE2 3.73Å; W670-H676 AromaticContact NE1-CD2 3.12Å; W670-H676 PolarHBondContact NE1-CD2 3.34Å; W670-H676 AromaticContact NE1-CE1 3.67Å; W670-H676 AromaticContact NE1-NE2 2.87Å; W670-H676 PolarHBondContact NE1-NE2 3.12Å; W670-H676 PolarHBondContact O-CD2 3.46Å; W670-H676 VanDerWaalsContact O-CD2 3.28Å; W670-V679 HydrophobicContact CH2-CG1 4.26Å; W670-V679 HydrophobicContact CH2-CG2 4.45Å; W670-V679 HydrophobicContact CZ3-CG1 4.19Å |
| 671 | L | 82.5 | Confident | 78.8 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -32.7 | 179.6 | -77.5 | 172.1 | 0 | 0 | 0 | 113.7 | L654 V667 S668 S673 V679 L680 L683 H795 | L654-L671 HydrophobicContact CD1-CD1 3.92Å; V667-L671 HydrophobicContact CG1-CD1 4.09Å; V667-L671 HydrophobicContact CG1-CG 4.26Å; V667-L671 WeakPolarHBondContact O-CB 3.4Å; V667-L671 VanDerWaalsContact O-CG 3.27Å; V667-L671 WeakPolarHBondContact O-CG 3.5Å; V667-L671 PolarHBondContact O-N 2.54Å; S668-L671 PolarHBondContact O-N 3.22Å; L671-S673 VanDerWaalsContact C-N 3.29Å; L671-V679 HydrophobicContact CD2-CG1 4.05Å; L671-L680 HydrophobicContact CB-CD1 4.42Å; L671-L683 HydrophobicContact CD1-CD2 4.01Å; L671-L683 HydrophobicContact CD2-CD2 4.23Å; L671-H795 HydrophobicContact CB-CB 4.45Å; L671-H795 HydrophobicContact CD1-CB 4.3Å |
| 672 | N | 79.1 | Confident | 80.1 | Confident | 68 Ų | 68 | 65.6 Ų | 65.6 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.3 | -179.9 | -66.3 | -39.2 | 0 | 0 | 0 | 112.9 | S668 H669 W670 H795 | S668-N672 VanDerWaalsContact O-CG 3.28Å; S668-N672 PolarHBondContact O-N 3.28Å; S668-N672 PolarHBondContact O-ND2 3.31Å; H669-N672 PolarHBondContact O-N 3.19Å; W670-N672 VanDerWaalsContact C-N 3.33Å; W670-N672 PolarHBondContact O-N 3.03Å; N672-H795 PolarHBondContact ND2-CE1 3.24Å; N672-H795 PolarHBondContact ND2-ND1 3.29Å; N672-H795 PolarHBondContact OD1-ND1 3.19Å |
| 673 | S | 75.5 | Confident | 81.6 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -65.7 | 146 | 178.1 | 92.8 | 0 | 0 | 0 | 0 | 111.4 | H669 W670 L671 E675 H676 K677 | H669-S673 PolarHBondContact O-N 2.94Å; W670-S673 WeakPolarHBondContact O-CB 3.35Å; W670-S673 PolarHBondContact O-N 3Å; W670-S673 PolarHBondContact O-OG 2.93Å; L671-S673 VanDerWaalsContact C-N 3.29Å; S673-E675 PolarHBondContact O-N 3.36Å; S673-E675 VanDerWaalsContact O-N 3.17Å; S673-H676 PolarHBondContact O-N 3.46Å; S673-H676 PolarHBondContact OG-CD2 3.22Å; S673-H676 PolarHBondContact OG-N 3.31Å; S673-K677 PolarHBondContact O-N 3.34Å |
| 674 | A | 72 | Confident | 83.1 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 79% | 0.785 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -59.5 | -29.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H676 | A674-H676 VanDerWaalsContact C-N 3.33Å; A674-H676 PolarHBondContact O-N 3.07Å |
| 675 | E | 80.8 | Confident | 84.5 | Confident | 165 Ų | 165 | 59.7 Ų | 59.7 | 77% | 0.771 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -69.9 | -27.7 | 178.5 | -61 | -174.9 | 174.4 | 0 | 0 | 112.8 | S673 | S673-E675 PolarHBondContact O-N 3.36Å; S673-E675 VanDerWaalsContact O-N 3.17Å |
| 676 | H | 85.1 | Confident | 85.8 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 20% | 0.199 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -106.7 | 12.6 | -174.1 | -58.7 | -42.3 | 0 | 0 | 0 | 113.9 | W670 S673 A674 T678 V679 L680 | W670-H676 AromaticContact CD1-CD2 3.53Å; W670-H676 AromaticContact CD1-NE2 3.57Å; W670-H676 AromaticContact CD2-CD2 3.74Å; W670-H676 AromaticContact CE2-CD2 3.25Å; W670-H676 AromaticContact CE2-CE1 3.84Å; W670-H676 AromaticContact CE2-CG 3.71Å; W670-H676 AromaticContact CE2-NE2 3.36Å; W670-H676 AromaticContact CG-CD2 3.9Å; W670-H676 HydrophobicContact CZ2-CB 4.48Å; W670-H676 AromaticContact CZ2-CD2 3.69Å; W670-H676 AromaticContact CZ2-CE1 3.71Å; W670-H676 AromaticContact CZ2-CG 3.68Å; W670-H676 AromaticContact CZ2-ND1 3.67Å; W670-H676 AromaticContact CZ2-NE2 3.73Å; W670-H676 AromaticContact NE1-CD2 3.12Å; W670-H676 PolarHBondContact NE1-CD2 3.34Å; W670-H676 AromaticContact NE1-CE1 3.67Å; W670-H676 AromaticContact NE1-NE2 2.87Å; W670-H676 PolarHBondContact NE1-NE2 3.12Å; W670-H676 PolarHBondContact O-CD2 3.46Å; W670-H676 VanDerWaalsContact O-CD2 3.28Å; S673-H676 PolarHBondContact O-N 3.46Å; S673-H676 PolarHBondContact OG-CD2 3.22Å; S673-H676 PolarHBondContact OG-N 3.31Å; A674-H676 VanDerWaalsContact C-N 3.33Å; A674-H676 PolarHBondContact O-N 3.07Å; H676-T678 PolarHBondContact O-N 2.97Å; H676-T678 VanDerWaalsContact O-N 3.15Å; H676-V679 WeakPolarHBondContact O-CB 3.31Å; H676-V679 PolarHBondContact O-N 3.35Å; H676-L680 PolarHBondContact O-N 2.93Å; H676-L680 VanDerWaalsContact O-N 3.09Å |
| 677 | K | 83.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.4 | -33.1 | -180 | -164.4 | 175.3 | -174.9 | 167.6 | 0 | 114.1 | S673 S681 G722 L725 | S673-K677 PolarHBondContact O-N 3.34Å; K677-S681 WeakPolarHBondContact O-CB 3.48Å; K677-S681 PolarHBondContact O-N 3.11Å; K677-S681 PolarHBondContact O-OG 3.49Å; K677-G722 WeakPolarHBondContact CE-O 3.09Å; K677-G722 PolarHBondContact NZ-O 3.24Å; K677-L725 HydrophobicContact CD-CD2 3.88Å; K677-L725 HydrophobicContact CD-CG 4.26Å; K677-L725 HydrophobicContact CG-CD2 4.32Å; K677-L725 HydrophobicContact CG-CG 4.14Å |
| 678 | T | 88.1 | Confident | 87.2 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.8 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | H676 S681 L682 L725 | H676-T678 PolarHBondContact O-N 2.97Å; H676-T678 VanDerWaalsContact O-N 3.15Å; T678-S681 WeakPolarHBondContact O-CB 3.44Å; T678-S681 PolarHBondContact O-N 3.31Å; T678-L682 WeakPolarHBondContact O-CG 3.42Å; T678-L682 PolarHBondContact O-N 3.11Å; T678-L725 HydrophobicContact CG2-CD1 3.57Å |
| 679 | V | 91 | Very high | 87.9 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 35% | 0.345 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | W670 L671 H676 S681 L682 L683 | W670-V679 HydrophobicContact CH2-CG1 4.26Å; W670-V679 HydrophobicContact CH2-CG2 4.45Å; W670-V679 HydrophobicContact CZ3-CG1 4.19Å; L671-V679 HydrophobicContact CD2-CG1 4.05Å; H676-V679 WeakPolarHBondContact O-CB 3.31Å; H676-V679 PolarHBondContact O-N 3.35Å; V679-S681 VanDerWaalsContact C-N 3.25Å; V679-S681 PolarHBondContact O-N 3.34Å; V679-L682 PolarHBondContact O-N 2.93Å; V679-L683 VanDerWaalsContact O-CB 3.3Å; V679-L683 WeakPolarHBondContact O-CB 3.22Å; V679-L683 PolarHBondContact O-N 3.49Å |
| 680 | L | 90.3 | Very high | 88.8 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 176.8 | -178.5 | 59.9 | 0 | 0 | 0 | 112.2 | L671 H676 S684 V724 A794 H795 | L671-L680 HydrophobicContact CB-CD1 4.42Å; H676-L680 PolarHBondContact O-N 2.93Å; H676-L680 VanDerWaalsContact O-N 3.09Å; L680-S684 VanDerWaalsContact O-CB 3.26Å; L680-S684 WeakPolarHBondContact O-CB 3.46Å; L680-S684 PolarHBondContact O-N 3.44Å; L680-S684 PolarHBondContact O-OG 2.8Å; L680-V724 HydrophobicContact CG-CG1 4.4Å; L680-A794 HydrophobicContact CD1-CB 3.98Å; L680-A794 HydrophobicContact CD2-CB 4.22Å; L680-A794 HydrophobicContact CG-CB 4.22Å; L680-H795 HydrophobicContact CD1-CB 4.26Å |
| 681 | S | 91.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | K677 T678 V679 A685 V724 L725 | K677-S681 WeakPolarHBondContact O-CB 3.48Å; K677-S681 PolarHBondContact O-N 3.11Å; K677-S681 PolarHBondContact O-OG 3.49Å; T678-S681 WeakPolarHBondContact O-CB 3.44Å; T678-S681 PolarHBondContact O-N 3.31Å; V679-S681 VanDerWaalsContact C-N 3.25Å; V679-S681 PolarHBondContact O-N 3.34Å; S681-A685 PolarHBondContact O-N 3.49Å; S681-A685 VanDerWaalsContact O-N 3.12Å; S681-V724 WeakPolarHBondContact OG-CA 3.14Å; S681-V724 WeakPolarHBondContact OG-CB 3.33Å; S681-L725 PolarHBondContact OG-N 3.41Å |
| 682 | L | 93.6 | Very high | 90.1 | Very high | 131 Ų | 131 | 56.8 Ų | 56.8 | 69% | 0.686 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67 | -44.1 | 176.8 | -70.3 | 173.4 | 0 | 0 | 0 | 111.4 | T678 V679 A685 L686 | T678-L682 WeakPolarHBondContact O-CG 3.42Å; T678-L682 PolarHBondContact O-N 3.11Å; V679-L682 PolarHBondContact O-N 2.93Å; L682-A685 PolarHBondContact O-N 3.43Å; L682-L686 WeakPolarHBondContact O-CB 3.41Å; L682-L686 PolarHBondContact O-N 3.45Å |
| 683 | L | 94.4 | Very high | 90.9 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 177.1 | -178.6 | 60.8 | 0 | 0 | 0 | 111.2 | L671 V679 A685 L686 C687 P798 | L671-L683 HydrophobicContact CD1-CD2 4.01Å; L671-L683 HydrophobicContact CD2-CD2 4.23Å; V679-L683 VanDerWaalsContact O-CB 3.3Å; V679-L683 WeakPolarHBondContact O-CB 3.22Å; V679-L683 PolarHBondContact O-N 3.49Å; L683-A685 PolarHBondContact O-N 2.78Å; L683-L686 PolarHBondContact O-N 3.31Å; L683-C687 WeakPolarHBondContact O-CB 3.33Å; L683-C687 PolarHBondContact O-N 3.03Å; L683-C687 PolarHBondContact O-SG 2.93Å; L683-P798 HydrophobicContact CD1-CG 4.28Å; L683-P798 HydrophobicContact CD2-CG 3.82Å; L683-P798 HydrophobicContact CG-CG 4.03Å |
| 684 | S | 94 | Very high | 91.9 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.4 | -62 | 0 | 0 | 0 | 0 | 111.9 | L680 C687 L688 | L680-S684 VanDerWaalsContact O-CB 3.26Å; L680-S684 WeakPolarHBondContact O-CB 3.46Å; L680-S684 PolarHBondContact O-N 3.44Å; L680-S684 PolarHBondContact O-OG 2.8Å; S684-C687 PolarHBondContact O-N 2.69Å; S684-L688 VanDerWaalsContact O-CG 3.27Å; S684-L688 WeakPolarHBondContact O-CG 3.35Å; S684-L688 PolarHBondContact O-N 2.78Å |
| 685 | A | 95.1 | Very high | 92.9 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | S681 L682 L683 L688 L689 Y715 | S681-A685 PolarHBondContact O-N 3.49Å; S681-A685 VanDerWaalsContact O-N 3.12Å; L682-A685 PolarHBondContact O-N 3.43Å; L683-A685 PolarHBondContact O-N 2.78Å; A685-L688 PolarHBondContact O-N 3.21Å; A685-L689 WeakPolarHBondContact O-CB 3.22Å; A685-L689 PolarHBondContact O-N 2.86Å; A685-Y715 HydrophobicContact CB-CD2 4.41Å; A685-Y715 HydrophobicContact CB-CE2 3.9Å |
| 686 | L | 96.5 | Very high | 93.5 | Very high | 110 Ų | 110 | 46.8 Ų | 46.8 | 58% | 0.576 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -61.8 | -45.4 | 176.8 | -179.7 | 64.7 | 0 | 0 | 0 | 111.7 | L682 L683 L689 L690 | L682-L686 WeakPolarHBondContact O-CB 3.41Å; L682-L686 PolarHBondContact O-N 3.45Å; L683-L686 PolarHBondContact O-N 3.31Å; L686-L689 PolarHBondContact O-N 3.12Å; L686-L690 WeakPolarHBondContact O-CB 3.33Å; L686-L690 PolarHBondContact O-N 3.23Å |
| 687 | C | 97.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 178 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | L683 S684 L689 L690 I691 L797 C801 | L683-C687 WeakPolarHBondContact O-CB 3.33Å; L683-C687 PolarHBondContact O-N 3.03Å; L683-C687 PolarHBondContact O-SG 2.93Å; S684-C687 PolarHBondContact O-N 2.69Å; C687-L689 VanDerWaalsContact C-N 3.34Å; C687-L689 PolarHBondContact O-N 3.27Å; C687-L690 PolarHBondContact O-N 2.98Å; C687-I691 WeakPolarHBondContact O-CB 3.43Å; C687-I691 WeakPolarHBondContact O-CD1 3.3Å; C687-I691 WeakPolarHBondContact O-CG1 3.26Å; C687-I691 PolarHBondContact O-N 3.41Å; C687-L797 HydrophobicContact CB-CB 3.94Å; C687-C801 HydrophobicContact CB-CB 4.33Å |
| 688 | L | 97.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 178.7 | -67.3 | 171.4 | 0 | 0 | 0 | 112.1 | S684 A685 I691 Y692 L711 V714 Y715 L797 | S684-L688 VanDerWaalsContact O-CG 3.27Å; S684-L688 WeakPolarHBondContact O-CG 3.35Å; S684-L688 PolarHBondContact O-N 2.78Å; A685-L688 PolarHBondContact O-N 3.21Å; L688-I691 HydrophobicContact CD2-CD1 4.38Å; L688-I691 PolarHBondContact O-N 2.83Å; L688-Y692 PolarHBondContact O-N 2.73Å; L688-L711 HydrophobicContact CD2-CD2 3.79Å; L688-V714 HydrophobicContact CD1-CG1 4.36Å; L688-V714 HydrophobicContact CD2-CB 4.38Å; L688-V714 HydrophobicContact CD2-CG1 3.98Å; L688-Y715 HydrophobicContact CD1-CD2 4.04Å; L688-Y715 HydrophobicContact CD1-CG 4.43Å; L688-L797 HydrophobicContact CD2-CD1 4.27Å; L688-L797 HydrophobicContact CD2-CD2 4.24Å; L688-L797 HydrophobicContact CG-CD1 4.22Å |
| 689 | L | 96.9 | Very high | 93.3 | Very high | 100 Ų | 100 | 54 Ų | 54 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 173.2 | 178.6 | 63.3 | 0 | 0 | 0 | 111.4 | A685 L686 C687 Y692 L693 | A685-L689 WeakPolarHBondContact O-CB 3.22Å; A685-L689 PolarHBondContact O-N 2.86Å; L686-L689 PolarHBondContact O-N 3.12Å; C687-L689 VanDerWaalsContact C-N 3.34Å; C687-L689 PolarHBondContact O-N 3.27Å; L689-Y692 WeakPolarHBondContact O-CB 3.47Å; L689-Y692 PolarHBondContact O-N 3.32Å; L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 2.97Å |
| 690 | L | 96.4 | Very high | 93.3 | Very high | 59 Ų | 59 | 51.6 Ų | 51.6 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 179.8 | -174.4 | 53.5 | 0 | 0 | 0 | 111.8 | L686 C687 Y692 L693 L694 C801 | L686-L690 WeakPolarHBondContact O-CB 3.33Å; L686-L690 PolarHBondContact O-N 3.23Å; C687-L690 PolarHBondContact O-N 2.98Å; L690-Y692 VanDerWaalsContact C-N 3.33Å; L690-Y692 PolarHBondContact O-N 2.99Å; L690-L693 PolarHBondContact O-N 3.07Å; L690-L694 HydrophobicContact CD1-CD1 4.3Å; L690-L694 HydrophobicContact CD1-CG 4.26Å; L690-L694 HydrophobicContact CG-CD1 4.08Å; L690-L694 VanDerWaalsContact O-CG 3.3Å; L690-L694 WeakPolarHBondContact O-CG 3.43Å; L690-L694 PolarHBondContact O-N 3.38Å; L690-C801 WeakPolarHBondContact CD2-SG 3.25Å; L690-C801 WeakPolarHBondContact CG-SG 3.48Å |
| 691 | I | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.5 | -47.3 | 171.6 | -70.2 | 162.9 | 0 | 0 | 0 | 110.3 | C687 L688 L693 L694 V695 L711 V785 L800 C801 L804 | C687-I691 WeakPolarHBondContact O-CB 3.43Å; C687-I691 WeakPolarHBondContact O-CD1 3.3Å; C687-I691 WeakPolarHBondContact O-CG1 3.26Å; C687-I691 PolarHBondContact O-N 3.41Å; L688-I691 HydrophobicContact CD2-CD1 4.38Å; L688-I691 PolarHBondContact O-N 2.83Å; I691-L693 PolarHBondContact O-N 2.9Å; I691-L694 PolarHBondContact O-N 3.45Å; I691-V695 HydrophobicContact CG2-CG2 4.35Å; I691-V695 WeakPolarHBondContact O-CB 3.39Å; I691-V695 WeakPolarHBondContact O-CG2 3.38Å; I691-V695 PolarHBondContact O-N 3.15Å; I691-L711 HydrophobicContact CG2-CD1 4.21Å; I691-L711 HydrophobicContact CG2-CD2 4.09Å; I691-V785 HydrophobicContact CG2-CG1 3.87Å; I691-L800 HydrophobicContact CD1-CD2 3.99Å; I691-L800 HydrophobicContact CD1-CG 4.29Å; I691-C801 HydrophobicContact CG1-CB 4.29Å; I691-L804 HydrophobicContact CB-CD1 4.37Å; I691-L804 HydrophobicContact CG1-CD1 3.97Å; I691-L804 HydrophobicContact CG2-CD1 4.02Å |
| 692 | Y | 97.2 | Very high | 93.4 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.5 | -50.1 | 175.2 | 173.4 | -107 | 0 | 0 | 0 | 111.6 | L688 L689 L690 L694 V695 Q696 L707 A708 | L688-Y692 PolarHBondContact O-N 2.73Å; L689-Y692 WeakPolarHBondContact O-CB 3.47Å; L689-Y692 PolarHBondContact O-N 3.32Å; L690-Y692 VanDerWaalsContact C-N 3.33Å; L690-Y692 PolarHBondContact O-N 2.99Å; Y692-L694 VanDerWaalsContact C-N 3.29Å; Y692-L694 PolarHBondContact O-N 2.98Å; Y692-V695 PolarHBondContact O-N 3.45Å; Y692-Q696 HydrophobicContact CD2-CB 4.27Å; Y692-Q696 HydrophobicContact CE1-CG 4.49Å; Y692-Q696 HydrophobicContact CE2-CB 3.97Å; Y692-Q696 WeakPolarHBondContact O-CB 3.34Å; Y692-Q696 WeakPolarHBondContact O-CG 3.44Å; Y692-Q696 PolarHBondContact O-N 2.67Å; Y692-Q696 PolarHBondContact OH-OE1 3.5Å; Y692-Q696 VanDerWaalsContact OH-OE1 3.05Å; Y692-L707 HydrophobicContact CD2-CD2 4.17Å; Y692-L707 HydrophobicContact CD2-CG 4.29Å; Y692-A708 HydrophobicContact CD2-CB 4.12Å; Y692-A708 HydrophobicContact CE2-CB 3.77Å |
| 693 | L | 96.1 | Very high | 93.4 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -35.8 | -177.8 | -68.6 | 177.2 | 0 | 0 | 0 | 113.4 | L689 L690 I691 | L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 2.97Å; L690-L693 PolarHBondContact O-N 3.07Å; I691-L693 PolarHBondContact O-N 2.9Å |
| 694 | L | 94.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.3 | -46.2 | 180 | -68.7 | 169.3 | 0 | 0 | 0 | 111.8 | L690 I691 Y692 L804 L805 T808 | L690-L694 HydrophobicContact CD1-CD1 4.3Å; L690-L694 HydrophobicContact CD1-CG 4.26Å; L690-L694 HydrophobicContact CG-CD1 4.08Å; L690-L694 VanDerWaalsContact O-CG 3.3Å; L690-L694 WeakPolarHBondContact O-CG 3.43Å; L690-L694 PolarHBondContact O-N 3.38Å; I691-L694 PolarHBondContact O-N 3.45Å; Y692-L694 VanDerWaalsContact C-N 3.29Å; Y692-L694 PolarHBondContact O-N 2.98Å; L694-L804 HydrophobicContact CD1-CB 3.88Å; L694-L805 HydrophobicContact CD1-CB 4.13Å; L694-L805 HydrophobicContact CD2-CD1 4.09Å; L694-T808 HydrophobicContact CD2-CG2 4.45Å |
| 695 | V | 94 | Very high | 93.5 | Very high | 12 Ų | 12 | 61 Ų | 61 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -81.8 | -34.6 | -171.9 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | I691 Y692 R697 L707 V785 L804 | I691-V695 HydrophobicContact CG2-CG2 4.35Å; I691-V695 WeakPolarHBondContact O-CB 3.39Å; I691-V695 WeakPolarHBondContact O-CG2 3.38Å; I691-V695 PolarHBondContact O-N 3.15Å; Y692-V695 PolarHBondContact O-N 3.45Å; V695-R697 PolarHBondContact O-N 2.97Å; V695-L707 HydrophobicContact CB-CD2 3.85Å; V695-L707 HydrophobicContact CG1-CD2 3.67Å; V695-V785 HydrophobicContact CG2-CB 4.46Å; V695-V785 HydrophobicContact CG2-CG1 3.98Å; V695-L804 HydrophobicContact CG2-CD1 4.09Å |
| 696 | Q | 92.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -60.4 | -27.2 | -170.9 | 70.4 | 163.1 | -41.7 | 0 | 0 | 114.1 | Y692 R698 C699 K704 | Y692-Q696 HydrophobicContact CD2-CB 4.27Å; Y692-Q696 HydrophobicContact CE1-CG 4.49Å; Y692-Q696 HydrophobicContact CE2-CB 3.97Å; Y692-Q696 WeakPolarHBondContact O-CB 3.34Å; Y692-Q696 WeakPolarHBondContact O-CG 3.44Å; Y692-Q696 PolarHBondContact O-N 2.67Å; Y692-Q696 PolarHBondContact OH-OE1 3.5Å; Y692-Q696 VanDerWaalsContact OH-OE1 3.05Å; Q696-R698 PolarHBondContact O-N 2.62Å; Q696-C699 PolarHBondContact O-N 3.17Å; Q696-C699 VanDerWaalsContact O-N 3.12Å; Q696-K704 HydrophobicContact CB-CG 4.08Å; Q696-K704 WeakPolarHBondContact O-CE 3.32Å |
| 697 | R | 86.3 | Confident | 93.6 | Very high | 175 Ų | 175 | 54.6 Ų | 54.6 | 66% | 0.66 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -61.8 | -24.3 | -167.4 | -66.8 | -176.4 | -179 | -168.6 | -0.4 | 113.6 | V695 | V695-R697 PolarHBondContact O-N 2.97Š|
| 698 | R | 81.4 | Confident | 93.6 | Very high | 152 Ų | 152 | 56 Ų | 56 | 57% | 0.574 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -108.3 | 1.2 | -176.9 | -59.5 | -64.7 | -171 | 175 | 1.4 | 113.8 | Q696 W778 | Q696-R698 PolarHBondContact O-N 2.62Å; R698-W778 HydrophobicContact CB-CB 3.61Å; R698-W778 HydrophobicContact CB-CD2 3.89Å; R698-W778 HydrophobicContact CB-CE3 4.34Å; R698-W778 HydrophobicContact CB-CG 3.54Å; R698-W778 HydrophobicContact CG-CD2 3.93Å; R698-W778 HydrophobicContact CG-CE3 4.35Å; R698-W778 HydrophobicContact CG-CG 4.01Å |
| 699 | C | 86.1 | Confident | 93.5 | Very high | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -95.3 | 156.9 | -176.2 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | Q696 K704 | Q696-C699 PolarHBondContact O-N 3.17Å; Q696-C699 VanDerWaalsContact O-N 3.12Å; C699-K704 HydrophobicContact CB-CG 4.12Å; C699-K704 WeakPolarHBondContact O-CE 3.38Å |
| 700 | S | 90.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | trans | -62.5 | 160.3 | 167.9 | 77.9 | 0 | 0 | 0 | 0 | 113 | V702 S703 K704 E779 | S700-V702 PolarHBondContact O-N 2.98Å; S700-V702 PolarHBondContact OG-N 3.08Å; S700-S703 CarbonylContact O-C 3.58Å; S700-S703 PolarHBondContact O-N 3.3Å; S700-S703 VanDerWaalsContact O-N 3.15Å; S700-S703 WeakPolarHBondContact OG-CB 3.39Å; S700-S703 PolarHBondContact OG-N 3.35Å; S700-S703 PolarHBondContact OG-OG 2.82Å; S700-K704 VanDerWaalsContact O-CG 3.26Å; S700-K704 WeakPolarHBondContact O-CG 3.32Å; S700-K704 PolarHBondContact O-N 2.96Å; S700-E779 WeakPolarHBondContact CB-OE1 3.5Å; S700-E779 PolarHBondContact N-OE1 3.03Å; S700-E779 PolarHBondContact OG-OE1 3.41Å | ||
| 701 | L | 92.1 | Very high | 93.6 | Very high | 135 Ų | 135 | 51.9 Ų | 51.9 | 71% | 0.707 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -54.8 | -42.3 | 174.4 | -175.6 | 67.8 | 0 | 0 | 0 | 112.2 | K704 V705 | L701-K704 WeakPolarHBondContact O-CB 3.05Å; L701-K704 PolarHBondContact O-N 3.16Å; L701-V705 WeakPolarHBondContact O-CG2 3.02Å; L701-V705 PolarHBondContact O-N 3.03Å; L701-V705 VanDerWaalsContact O-N 3.12Å |
| 702 | V | 91.8 | Very high | 93.5 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 68% | 0.679 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.7 | -48.2 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | S700 K704 V705 A706 | S700-V702 PolarHBondContact O-N 2.98Å; S700-V702 PolarHBondContact OG-N 3.08Å; V702-K704 VanDerWaalsContact C-N 3.3Å; V702-K704 PolarHBondContact O-N 2.85Å; V702-V705 PolarHBondContact O-N 2.96Å; V702-A706 WeakPolarHBondContact O-CB 3.04Å; V702-A706 PolarHBondContact O-N 3.09Å |
| 703 | S | 93.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.4 | -30.1 | 178.9 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | S700 L707 | S700-S703 CarbonylContact O-C 3.58Å; S700-S703 PolarHBondContact O-N 3.3Å; S700-S703 VanDerWaalsContact O-N 3.15Å; S700-S703 WeakPolarHBondContact OG-CB 3.39Å; S700-S703 PolarHBondContact OG-N 3.35Å; S700-S703 PolarHBondContact OG-OG 2.82Å; S703-L707 WeakPolarHBondContact O-CB 3.15Å; S703-L707 PolarHBondContact O-N 2.72Å |
| 704 | K | 95.5 | Very high | 93.4 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 27% | 0.274 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 172.6 | -69.8 | 177.9 | -169.9 | -179.4 | 0 | 111.4 | Q696 C699 S700 L701 V702 L707 A708 | Q696-K704 HydrophobicContact CB-CG 4.08Å; Q696-K704 WeakPolarHBondContact O-CE 3.32Å; C699-K704 HydrophobicContact CB-CG 4.12Å; C699-K704 WeakPolarHBondContact O-CE 3.38Å; S700-K704 VanDerWaalsContact O-CG 3.26Å; S700-K704 WeakPolarHBondContact O-CG 3.32Å; S700-K704 PolarHBondContact O-N 2.96Å; L701-K704 WeakPolarHBondContact O-CB 3.05Å; L701-K704 PolarHBondContact O-N 3.16Å; V702-K704 VanDerWaalsContact C-N 3.3Å; V702-K704 PolarHBondContact O-N 2.85Å; K704-L707 PolarHBondContact O-N 2.8Å; K704-A708 PolarHBondContact O-N 3.31Å |
| 705 | V | 95.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.3 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | L701 V702 L707 A708 L709 | L701-V705 WeakPolarHBondContact O-CG2 3.02Å; L701-V705 PolarHBondContact O-N 3.03Å; L701-V705 VanDerWaalsContact O-N 3.12Å; V702-V705 PolarHBondContact O-N 2.96Å; V705-L707 VanDerWaalsContact C-N 3.33Å; V705-L707 PolarHBondContact O-N 3.35Å; V705-A708 PolarHBondContact O-N 3.09Å; V705-L709 HydrophobicContact CG1-CD1 4.04Å; V705-L709 HydrophobicContact CG1-CG 4.46Å; V705-L709 WeakPolarHBondContact O-CG 3.28Å; V705-L709 PolarHBondContact O-N 2.76Å |
| 706 | A | 96.2 | Very high | 93.3 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V702 G710 F748 I752 | V702-A706 WeakPolarHBondContact O-CB 3.04Å; V702-A706 PolarHBondContact O-N 3.09Å; A706-G710 PolarHBondContact O-N 3.26Å; A706-F748 HydrophobicContact CB-CB 4.49Å; A706-F748 HydrophobicContact CB-CD1 3.84Å; A706-I752 HydrophobicContact CB-CD1 4.04Å; A706-I752 HydrophobicContact CB-CG1 3.86Å |
| 707 | L | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.2 | -178.3 | 66.1 | 0 | 0 | 0 | 111.6 | Y692 V695 S703 K704 V705 G710 L711 I752 L786 | Y692-L707 HydrophobicContact CD2-CD2 4.17Å; Y692-L707 HydrophobicContact CD2-CG 4.29Å; V695-L707 HydrophobicContact CB-CD2 3.85Å; V695-L707 HydrophobicContact CG1-CD2 3.67Å; S703-L707 WeakPolarHBondContact O-CB 3.15Å; S703-L707 PolarHBondContact O-N 2.72Å; K704-L707 PolarHBondContact O-N 2.8Å; V705-L707 VanDerWaalsContact C-N 3.33Å; V705-L707 PolarHBondContact O-N 3.35Å; L707-G710 PolarHBondContact O-N 3.4Å; L707-L711 HydrophobicContact CD1-CD1 4.09Å; L707-L711 HydrophobicContact CD1-CG 4.24Å; L707-L711 HydrophobicContact CG-CD1 3.96Å; L707-L711 HydrophobicContact CG-CG 4.49Å; L707-L711 WeakPolarHBondContact O-CB 3.17Å; L707-L711 VanDerWaalsContact O-CG 3.27Å; L707-L711 WeakPolarHBondContact O-CG 3.42Å; L707-L711 PolarHBondContact O-N 2.87Å; L707-I752 HydrophobicContact CB-CD1 4.17Å; L707-L786 HydrophobicContact CD1-CB 3.98Å; L707-L786 HydrophobicContact CD1-CD1 4.31Å; L707-L786 HydrophobicContact CD1-CD2 4.42Å; L707-L786 HydrophobicContact CD1-CG 4.46Å |
| 708 | A | 96.9 | Very high | 93.4 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y692 K704 V705 L711 L712 | Y692-A708 HydrophobicContact CD2-CB 4.12Å; Y692-A708 HydrophobicContact CE2-CB 3.77Å; K704-A708 PolarHBondContact O-N 3.31Å; V705-A708 PolarHBondContact O-N 3.09Å; A708-L711 PolarHBondContact O-N 3.49Å; A708-L712 PolarHBondContact O-N 2.87Å |
| 709 | L | 96.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 37 Ų | 37 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 177 | -67.2 | 176 | 0 | 0 | 0 | 111.9 | V705 L712 G713 F748 | V705-L709 HydrophobicContact CG1-CD1 4.04Å; V705-L709 HydrophobicContact CG1-CG 4.46Å; V705-L709 WeakPolarHBondContact O-CG 3.28Å; V705-L709 PolarHBondContact O-N 2.76Å; L709-L712 PolarHBondContact O-N 3.43Å; L709-G713 PolarHBondContact O-N 3.03Å; L709-F748 HydrophobicContact CB-CD1 4.39Å; L709-F748 HydrophobicContact CB-CE1 3.86Å; L709-F748 HydrophobicContact CB-CE2 4.03Å; L709-F748 HydrophobicContact CB-CZ 3.66Å; L709-F748 HydrophobicContact CD1-CE1 3.82Å; L709-F748 HydrophobicContact CD1-CZ 3.92Å; L709-F748 HydrophobicContact CG-CZ 4.44Å |
| 710 | G | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A706 L707 L712 G713 V714 | A706-G710 PolarHBondContact O-N 3.26Å; L707-G710 PolarHBondContact O-N 3.4Å; G710-L712 VanDerWaalsContact C-N 3.34Å; G710-L712 PolarHBondContact O-N 3.27Å; G710-G713 CarbonylContact O-C 3.53Å; G710-G713 WeakPolarHBondContact O-CA 3.27Å; G710-G713 PolarHBondContact O-N 3.17Å; G710-G713 VanDerWaalsContact O-N 3.07Å; G710-V714 WeakPolarHBondContact O-CG2 3.37Å; G710-V714 PolarHBondContact O-N 3.42Å |
| 711 | L | 97.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 178.6 | -69.1 | 168.6 | 0 | 0 | 0 | 112.3 | L688 I691 L707 A708 G713 V714 Y715 L786 | L688-L711 HydrophobicContact CD2-CD2 3.79Å; I691-L711 HydrophobicContact CG2-CD1 4.21Å; I691-L711 HydrophobicContact CG2-CD2 4.09Å; L707-L711 HydrophobicContact CD1-CD1 4.09Å; L707-L711 HydrophobicContact CD1-CG 4.24Å; L707-L711 HydrophobicContact CG-CD1 3.96Å; L707-L711 HydrophobicContact CG-CG 4.49Å; L707-L711 WeakPolarHBondContact O-CB 3.17Å; L707-L711 VanDerWaalsContact O-CG 3.27Å; L707-L711 WeakPolarHBondContact O-CG 3.42Å; L707-L711 PolarHBondContact O-N 2.87Å; A708-L711 PolarHBondContact O-N 3.49Å; L711-G713 VanDerWaalsContact C-N 3.31Å; L711-V714 WeakPolarHBondContact O-CB 3.37Å; L711-V714 PolarHBondContact O-N 2.95Å; L711-Y715 PolarHBondContact O-N 3.07Å; L711-Y715 VanDerWaalsContact O-N 3.13Å; L711-L786 HydrophobicContact CD2-CD1 3.86Å; L711-L786 HydrophobicContact CG-CD1 3.97Å |
| 712 | L | 95.4 | Very high | 92.4 | Very high | 109 Ų | 109 | 32.5 Ų | 32.5 | 57% | 0.571 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.7 | -39 | 170 | -175.8 | 65.5 | 0 | 0 | 0 | 111.5 | A708 L709 G710 V714 Y715 S716 | A708-L712 PolarHBondContact O-N 2.87Å; L709-L712 PolarHBondContact O-N 3.43Å; G710-L712 VanDerWaalsContact C-N 3.34Å; G710-L712 PolarHBondContact O-N 3.27Å; L712-V714 VanDerWaalsContact C-N 3.35Å; L712-Y715 PolarHBondContact O-N 3.18Å; L712-S716 WeakPolarHBondContact O-CB 3.46Å; L712-S716 PolarHBondContact O-N 3.47Å; L712-S716 PolarHBondContact O-OG 3.01Å |
| 713 | G | 95 | Very high | 91.7 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L709 G710 L711 Y715 S716 Y717 | L709-G713 PolarHBondContact O-N 3.03Å; G710-G713 CarbonylContact O-C 3.53Å; G710-G713 WeakPolarHBondContact O-CA 3.27Å; G710-G713 PolarHBondContact O-N 3.17Å; G710-G713 VanDerWaalsContact O-N 3.07Å; L711-G713 VanDerWaalsContact C-N 3.31Å; G713-Y715 PolarHBondContact O-N 3.29Å; G713-S716 WeakPolarHBondContact O-CB 3.04Å; G713-S716 PolarHBondContact O-N 3.47Å; G713-Y717 WeakPolarHBondContact O-CB 3.23Å; G713-Y717 PolarHBondContact O-N 2.98Å |
| 714 | V | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | L688 G710 L711 L712 S716 Y717 R718 V745 L786 S789 L790 | L688-V714 HydrophobicContact CD1-CG1 4.36Å; L688-V714 HydrophobicContact CD2-CB 4.38Å; L688-V714 HydrophobicContact CD2-CG1 3.98Å; G710-V714 WeakPolarHBondContact O-CG2 3.37Å; G710-V714 PolarHBondContact O-N 3.42Å; L711-V714 WeakPolarHBondContact O-CB 3.37Å; L711-V714 PolarHBondContact O-N 2.95Å; L712-V714 VanDerWaalsContact C-N 3.35Å; V714-S716 VanDerWaalsContact C-N 3.32Å; V714-S716 PolarHBondContact O-N 3.33Å; V714-Y717 PolarHBondContact O-N 2.91Å; V714-R718 WeakPolarHBondContact O-CG 3.23Å; V714-R718 PolarHBondContact O-N 2.87Å; V714-R718 VanDerWaalsContact O-N 3.09Å; V714-V745 HydrophobicContact CG2-CG1 3.96Å; V714-V745 HydrophobicContact CG2-CG2 4.1Å; V714-L786 HydrophobicContact CG2-CD1 4.25Å; V714-S789 WeakPolarHBondContact CG1-O 3.37Å; V714-L790 HydrophobicContact CG2-CB 4.08Å; V714-L790 HydrophobicContact CG2-CD1 4.33Å |
| 715 | Y | 94.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 30.7 Ų | 30.7 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.6 | -168.9 | -89.7 | 0 | 0 | 0 | 111.7 | A685 L688 L711 L712 G713 Y717 R718 A719 V724 L725 P727 | A685-Y715 HydrophobicContact CB-CD2 4.41Å; A685-Y715 HydrophobicContact CB-CE2 3.9Å; L688-Y715 HydrophobicContact CD1-CD2 4.04Å; L688-Y715 HydrophobicContact CD1-CG 4.43Å; L711-Y715 PolarHBondContact O-N 3.07Å; L711-Y715 VanDerWaalsContact O-N 3.13Å; L712-Y715 PolarHBondContact O-N 3.18Å; G713-Y715 PolarHBondContact O-N 3.29Å; Y715-Y717 PolarHBondContact O-N 3Å; Y715-R718 PolarHBondContact O-N 2.96Å; Y715-A719 PolarHBondContact O-N 3.23Å; Y715-V724 HydrophobicContact CE1-CG2 4.32Å; Y715-V724 HydrophobicContact CE2-CG2 4.18Å; Y715-L725 PolarHBondContact OH-O 3.43Å; Y715-L725 VanDerWaalsContact OH-O 3.12Å; Y715-P727 HydrophobicContact CE1-CG 4.48Å |
| 716 | S | 92.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 30.5 Ų | 30.5 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 178.7 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | L712 G713 V714 R718 A719 A720 | L712-S716 WeakPolarHBondContact O-CB 3.46Å; L712-S716 PolarHBondContact O-N 3.47Å; L712-S716 PolarHBondContact O-OG 3.01Å; G713-S716 WeakPolarHBondContact O-CB 3.04Å; G713-S716 PolarHBondContact O-N 3.47Å; V714-S716 VanDerWaalsContact C-N 3.32Å; V714-S716 PolarHBondContact O-N 3.33Å; S716-R718 PolarHBondContact O-N 3.15Å; S716-A719 PolarHBondContact O-N 3.47Å; S716-A720 WeakPolarHBondContact O-CB 3.29Å; S716-A720 PolarHBondContact O-N 3.12Å |
| 717 | Y | 90.9 | Very high | 88.6 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -48.2 | 172.8 | 166.6 | -112.6 | 0 | 0 | 0 | 111.7 | G713 V714 Y715 A719 A720 V721 G738 A742 L790 V856 | G713-Y717 WeakPolarHBondContact O-CB 3.23Å; G713-Y717 PolarHBondContact O-N 2.98Å; V714-Y717 PolarHBondContact O-N 2.91Å; Y715-Y717 PolarHBondContact O-N 3Å; Y717-A719 VanDerWaalsContact C-N 3.27Å; Y717-A719 PolarHBondContact O-N 2.94Å; Y717-A720 PolarHBondContact O-N 3.06Å; Y717-A720 VanDerWaalsContact O-N 3.16Å; Y717-V721 HydrophobicContact CD2-CG2 3.95Å; Y717-V721 HydrophobicContact CE2-CG2 3.46Å; Y717-V721 VanDerWaalsContact CE2-CG2 3.46Å; Y717-V721 WeakPolarHBondContact O-CG2 3.48Å; Y717-V721 PolarHBondContact O-N 3.2Å; Y717-G738 VanDerWaalsContact CD2-O 3.29Å; Y717-G738 WeakPolarHBondContact CD2-O 3.19Å; Y717-A742 HydrophobicContact CD2-CB 4Å; Y717-A742 HydrophobicContact CE2-CB 4.18Å; Y717-L790 HydrophobicContact CD1-CD1 3.69Å; Y717-L790 HydrophobicContact CE1-CD1 4.19Å; Y717-L790 HydrophobicContact CG-CD1 4.06Å; Y717-V856 HydrophobicContact CE1-CG1 4.19Å; Y717-V856 HydrophobicContact CE2-CG1 4.34Å |
| 718 | R | 89.2 | Confident | 87.1 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 6% | 0.057 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.7 | -32.6 | 179.1 | -64.9 | -63.8 | 178.7 | -163.1 | -6.9 | 112.5 | V714 Y715 S716 G722 N723 V724 L790 L791 F792 | V714-R718 WeakPolarHBondContact O-CG 3.23Å; V714-R718 PolarHBondContact O-N 2.87Å; V714-R718 VanDerWaalsContact O-N 3.09Å; Y715-R718 PolarHBondContact O-N 2.96Å; S716-R718 PolarHBondContact O-N 3.15Å; R718-G722 PolarHBondContact O-N 3.49Å; R718-N723 PolarHBondContact O-N 3.05Å; R718-V724 HydrophobicContact CB-CG1 4.42Å; R718-V724 HydrophobicContact CB-CG2 3.75Å; R718-V724 PolarHBondContact O-N 2.98Å; R718-L790 PolarHBondContact NH2-O 3.43Å; R718-L791 PolarHBondContact NH2-O 3.22Å; R718-F792 VanDerWaalsContact CZ-O 3.3Å; R718-F792 PolarHBondContact NH2-O 2.92Å |
| 719 | A | 87.6 | Confident | 85.3 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.2 | -39.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y715 S716 Y717 G722 V724 F726 | Y715-A719 PolarHBondContact O-N 3.23Å; S716-A719 PolarHBondContact O-N 3.47Å; Y717-A719 VanDerWaalsContact C-N 3.27Å; Y717-A719 PolarHBondContact O-N 2.94Å; A719-G722 WeakPolarHBondContact O-CA 3.27Å; A719-G722 PolarHBondContact O-N 3.35Å; A719-V724 HydrophobicContact CB-CG2 3.97Å; A719-F726 HydrophobicContact CB-CB 4.09Å; A719-F726 HydrophobicContact CB-CD2 3.66Å; A719-F726 HydrophobicContact CB-CG 4.35Å |
| 720 | A | 84.5 | Confident | 83 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S716 Y717 G722 S736 E741 | S716-A720 WeakPolarHBondContact O-CB 3.29Å; S716-A720 PolarHBondContact O-N 3.12Å; Y717-A720 PolarHBondContact O-N 3.06Å; Y717-A720 VanDerWaalsContact O-N 3.16Å; A720-G722 PolarHBondContact O-N 2.94Å; A720-S736 PolarHBondContact O-N 2.88Å; A720-S736 PolarHBondContact O-OG 2.93Å; A720-E741 HydrophobicContact CB-CG 4.08Å |
| 721 | V | 79.4 | Confident | 80.6 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.6 | 173.5 | 178.6 | 0 | 0 | 0 | 0 | 112 | Y717 S736 | Y717-V721 HydrophobicContact CD2-CG2 3.95Å; Y717-V721 HydrophobicContact CE2-CG2 3.46Å; Y717-V721 VanDerWaalsContact CE2-CG2 3.46Å; Y717-V721 WeakPolarHBondContact O-CG2 3.48Å; Y717-V721 PolarHBondContact O-N 3.2Å; V721-S736 WeakPolarHBondContact CA-O 3.39Å |
| 722 | G | 76.9 | Confident | 78.4 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 24% | 0.237 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 13.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K677 R718 A719 A720 | K677-G722 WeakPolarHBondContact CE-O 3.09Å; K677-G722 PolarHBondContact NZ-O 3.24Å; R718-G722 PolarHBondContact O-N 3.49Å; A719-G722 WeakPolarHBondContact O-CA 3.27Å; A719-G722 PolarHBondContact O-N 3.35Å; A720-G722 PolarHBondContact O-N 2.94Å |
| 723 | N | 77.1 | Confident | 76.4 | Confident | 59 Ų | 59 | 69 Ų | 69 | 32% | 0.316 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -73.8 | -40.4 | 176.6 | -67.6 | -1.7 | 0 | 0 | 0 | 111.9 | R718 | R718-N723 PolarHBondContact O-N 3.05Š|
| 724 | V | 85.4 | Confident | 74.7 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.024 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -117.9 | 163.4 | 178.3 | -59 | 0 | 0 | 0 | 0 | 110.9 | L680 S681 Y715 R718 A719 A794 | L680-V724 HydrophobicContact CG-CG1 4.4Å; S681-V724 WeakPolarHBondContact OG-CA 3.14Å; S681-V724 WeakPolarHBondContact OG-CB 3.33Å; Y715-V724 HydrophobicContact CE1-CG2 4.32Å; Y715-V724 HydrophobicContact CE2-CG2 4.18Å; R718-V724 HydrophobicContact CB-CG1 4.42Å; R718-V724 HydrophobicContact CB-CG2 3.75Å; R718-V724 PolarHBondContact O-N 2.98Å; A719-V724 HydrophobicContact CB-CG2 3.97Å; V724-A794 HydrophobicContact CG1-CB 4.36Å |
| 725 | L | 84.6 | Confident | 73.2 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 40% | 0.398 | 42% | 0.42 | S | S | . | . | trans | -82.1 | 133.9 | 176.3 | -63.1 | 173.4 | 0 | 0 | 0 | 110.2 | K677 T678 S681 Y715 | K677-L725 HydrophobicContact CD-CD2 3.88Å; K677-L725 HydrophobicContact CD-CG 4.26Å; K677-L725 HydrophobicContact CG-CD2 4.32Å; K677-L725 HydrophobicContact CG-CG 4.14Å; T678-L725 HydrophobicContact CG2-CD1 3.57Å; S681-L725 PolarHBondContact OG-N 3.41Å; Y715-L725 PolarHBondContact OH-O 3.43Å; Y715-L725 VanDerWaalsContact OH-O 3.12Å | ||
| 726 | F | 78.9 | Confident | 72.3 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 34% | 0.338 | 43% | 0.432 | S | S | . | . | trans | -79.6 | 132.4 | 170.2 | -159.3 | -111.6 | 0 | 0 | 0 | 109.5 | A719 W728 Q729 | A719-F726 HydrophobicContact CB-CB 4.09Å; A719-F726 HydrophobicContact CB-CD2 3.66Å; A719-F726 HydrophobicContact CB-CG 4.35Å; F726-W728 HydrophobicContact CD1-CB 3.9Å; F726-W728 AromaticContact CD1-CD1 3.66Å; F726-W728 HydrophobicContact CD1-CG 4.2Å; F726-W728 HydrophobicContact CE1-CB 3.9Å; F726-W728 AromaticContact CE1-CD1 3.31Å; F726-W728 AromaticContact CE1-CG 3.95Å; F726-W728 HydrophobicContact CE1-CG 3.95Å; F726-W728 AromaticContact CZ-CD1 3.81Å; F726-W728 PolarHBondContact O-N 3.13Å; F726-Q729 HydrophobicContact CB-CB 3.83Å; F726-Q729 HydrophobicContact CD1-CB 4.08Å; F726-Q729 HydrophobicContact CG-CB 4.43Å; F726-Q729 PolarHBondContact O-N 2.04Å | ||
| 727 | P | 68.6 | Low | 71.3 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 59% | 0.591 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.4 | -174.7 | -20.9 | 29 | 0 | 0 | 0 | 114.3 | Y715 | Y715-P727 HydrophobicContact CE1-CG 4.48Š|
| 728 | W | 63.8 | Low | 70.9 | Confident | 216 Ų | 216 | 80.8 Ų | 80.8 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 3 | -167 | -38.8 | 86.9 | 0 | 0 | 0 | 113.5 | F726 | F726-W728 HydrophobicContact CD1-CB 3.9Å; F726-W728 AromaticContact CD1-CD1 3.66Å; F726-W728 HydrophobicContact CD1-CG 4.2Å; F726-W728 HydrophobicContact CE1-CB 3.9Å; F726-W728 AromaticContact CE1-CD1 3.31Å; F726-W728 AromaticContact CE1-CG 3.95Å; F726-W728 HydrophobicContact CE1-CG 3.95Å; F726-W728 AromaticContact CZ-CD1 3.81Å; F726-W728 PolarHBondContact O-N 3.13Å |
| 729 | Q | 58.8 | Low | 70.8 | Confident | 91 Ų | 91 | 81 Ų | 81 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | trans | -107.3 | 119.8 | -169.9 | -158.8 | 165.6 | -21 | 0 | 0 | 111.3 | F726 | F726-Q729 HydrophobicContact CB-CB 3.83Å; F726-Q729 HydrophobicContact CD1-CB 4.08Å; F726-Q729 HydrophobicContact CG-CB 4.43Å; F726-Q729 PolarHBondContact O-N 2.04Å | ||
| 730 | R | 49 | Very low | 70.9 | Confident | 235 Ų | 235 | 85.7 Ų | 85.7 | 89% | 0.887 | 47% | 0.472 | S | S | * | . | trans | -74.3 | 142.8 | 168.4 | -72 | -178.6 | 177.2 | 175.4 | -1 | 109.4 | G732 | R730-G732 PolarHBondContact O-N 3.26Š| ||
| 731 | S | 46.2 | Very low | 71.3 | Confident | 131 Ų | 131 | 87.6 Ų | 87.6 | 92% | 0.916 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -43.5 | 120.7 | 177.2 | 36.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 732 | G | 52.5 | Low | 71.9 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 86% | 0.856 | 47% | 0.472 | S | S | * | . | trans | 142.5 | -2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | R730 | R730-G732 PolarHBondContact O-N 3.26Š| ||
| 733 | R | 52.8 | Low | 72.7 | Confident | 208 Ų | 208 | 90.7 Ų | 90.7 | 79% | 0.785 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 126.8 | 170.2 | -119.7 | -178.5 | -173.9 | -175.9 | 0.9 | 109.8 | ||
| 734 | A | 58.5 | Low | 73.6 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 77% | 0.769 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -58 | 141.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 735 | A | 65.9 | Low | 74.2 | Confident | 70 Ų | 70 | 92.5 Ų | 92.5 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 139.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 736 | S | 75 | Confident | 74.7 | Confident | 56 Ų | 56 | 91.1 Ų | 91.1 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | trans | -105.3 | 166.6 | 177.1 | 78.1 | 0 | 0 | 0 | 0 | 110.2 | A720 V721 G738 | A720-S736 PolarHBondContact O-N 2.88Å; A720-S736 PolarHBondContact O-OG 2.93Å; V721-S736 WeakPolarHBondContact CA-O 3.39Å; S736-G738 PolarHBondContact O-N 3.22Å; S736-G738 VanDerWaalsContact O-N 3.1Å; S736-G738 PolarHBondContact OG-N 3.36Å | ||
| 737 | K | 71.3 | Confident | 75.6 | Confident | 118 Ų | 118 | 92 Ų | 92 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | trans | -64.5 | -11.7 | 176.1 | -64.8 | 177.3 | 173 | -172.7 | 0 | 114 | F184 T739 | F184-K737 HydrophobicContact CD1-CB 4.3Å; F184-K737 HydrophobicContact CD1-CD 3.97Å; F184-K737 HydrophobicContact CD1-CG 3.86Å; F184-K737 HydrophobicContact CD2-CD 4.3Å; F184-K737 HydrophobicContact CE1-CB 4.06Å; F184-K737 HydrophobicContact CE1-CD 3.61Å; F184-K737 HydrophobicContact CE1-CG 3.85Å; F184-K737 HydrophobicContact CE2-CD 3.96Å; F184-K737 VanDerWaalsContact CE2-NZ 3.26Å; F184-K737 HydrophobicContact CG-CD 4.31Å; F184-K737 HydrophobicContact CG-CG 4.38Å; F184-K737 HydrophobicContact CZ-CD 3.61Å; F184-K737 HydrophobicContact CZ-CG 4.36Å; K737-T739 PolarHBondContact O-N 3.32Å | ||
| 738 | G | 82.4 | Confident | 77 | Confident | 1 Ų | 1 | 89.3 Ų | 89.3 | 1% | 0.01 | 47% | 0.465 | C | S | . | . | trans | 67 | 13.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y717 S736 V740 E741 A742 | Y717-G738 VanDerWaalsContact CD2-O 3.29Å; Y717-G738 WeakPolarHBondContact CD2-O 3.19Å; S736-G738 PolarHBondContact O-N 3.22Å; S736-G738 VanDerWaalsContact O-N 3.1Å; S736-G738 PolarHBondContact OG-N 3.36Å; G738-V740 PolarHBondContact O-N 2.86Å; G738-E741 VanDerWaalsContact C-OE2 3.23Å; G738-E741 VanDerWaalsContact CA-OE2 3.28Å; G738-E741 WeakPolarHBondContact CA-OE2 3.4Å; G738-E741 PolarHBondContact O-N 2.93Å; G738-A742 WeakPolarHBondContact O-CB 3.43Å; G738-A742 PolarHBondContact O-N 3.07Å | ||
| 739 | T | 86.7 | Confident | 78.6 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 12% | 0.117 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | -172 | -49.1 | 0 | 0 | 0 | 0 | 112.4 | K737 R743 E859 | K737-T739 PolarHBondContact O-N 3.32Å; T739-R743 WeakPolarHBondContact O-CB 3.35Å; T739-R743 VanDerWaalsContact O-CG 3.26Å; T739-R743 WeakPolarHBondContact O-CG 3.36Å; T739-R743 PolarHBondContact O-N 2.84Å; T739-E859 HydrophobicContact CG2-CG 4.03Å |
| 740 | V | 90 | Very high | 80.3 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 67% | 0.673 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.3 | -43.9 | -178.2 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | G738 R743 F744 | G738-V740 PolarHBondContact O-N 2.86Å; V740-R743 PolarHBondContact O-N 3.33Å; V740-F744 WeakPolarHBondContact O-CB 3.36Å; V740-F744 PolarHBondContact O-N 3Å |
| 741 | E | 92.6 | Very high | 82.6 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.8 | -63.7 | 79.7 | 179.7 | 0 | 0 | 111.1 | A720 G738 F744 V745 | A720-E741 HydrophobicContact CB-CG 4.08Å; G738-E741 VanDerWaalsContact C-OE2 3.23Å; G738-E741 VanDerWaalsContact CA-OE2 3.28Å; G738-E741 WeakPolarHBondContact CA-OE2 3.4Å; G738-E741 PolarHBondContact O-N 2.93Å; E741-F744 WeakPolarHBondContact O-CB 3.43Å; E741-F744 PolarHBondContact O-N 3.17Å; E741-V745 WeakPolarHBondContact O-CG2 3.46Å; E741-V745 PolarHBondContact O-N 3.29Å; E741-V745 VanDerWaalsContact O-N 3.15Å |
| 742 | A | 92.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y717 G738 F744 V745 Y746 L790 V856 | Y717-A742 HydrophobicContact CD2-CB 4Å; Y717-A742 HydrophobicContact CE2-CB 4.18Å; G738-A742 WeakPolarHBondContact O-CB 3.43Å; G738-A742 PolarHBondContact O-N 3.07Å; A742-F744 VanDerWaalsContact C-N 3.29Å; A742-F744 PolarHBondContact O-N 3.03Å; A742-V745 WeakPolarHBondContact O-CB 3.3Å; A742-V745 PolarHBondContact O-N 3.08Å; A742-V745 VanDerWaalsContact O-N 3.11Å; A742-Y746 HydrophobicContact CB-CE2 4.46Å; A742-Y746 WeakPolarHBondContact O-CD2 2.99Å; A742-Y746 PolarHBondContact O-N 3.05Å; A742-L790 HydrophobicContact CB-CD1 4.46Å; A742-V856 HydrophobicContact CB-CG1 3.77Å |
| 743 | R | 94.8 | Very high | 87 | Confident | 108 Ų | 108 | 63.3 Ų | 63.3 | 41% | 0.408 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 174.4 | -75.1 | 176.5 | -176.8 | 169.2 | 3.5 | 112.4 | T739 V740 V745 Y746 V747 G857 E859 | T739-R743 WeakPolarHBondContact O-CB 3.35Å; T739-R743 VanDerWaalsContact O-CG 3.26Å; T739-R743 WeakPolarHBondContact O-CG 3.36Å; T739-R743 PolarHBondContact O-N 2.84Å; V740-R743 PolarHBondContact O-N 3.33Å; R743-V745 VanDerWaalsContact C-N 3.33Å; R743-V745 PolarHBondContact O-N 3.39Å; R743-Y746 PolarHBondContact O-N 3.06Å; R743-V747 PolarHBondContact O-N 3.16Å; R743-G857 PolarHBondContact NE-O 3.32Å; R743-G857 VanDerWaalsContact NE-O 3.16Å; R743-E859 IonicContact CZ-OE1 2.86Å; R743-E859 IonicContact NH1-OE1 3.6Å; R743-E859 PolarHBondContact NH1-OE1 3.02Å; R743-E859 VanDerWaalsContact NH2-CD 3.34Å; R743-E859 IonicContact NH2-OE1 3.51Å; R743-E859 PolarHBondContact NH2-OE1 2.73Å |
| 744 | F | 95.2 | Very high | 89 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 174.1 | 179.3 | -108.1 | 0 | 0 | 0 | 111.7 | V740 E741 A742 V747 F748 | V740-F744 WeakPolarHBondContact O-CB 3.36Å; V740-F744 PolarHBondContact O-N 3Å; E741-F744 WeakPolarHBondContact O-CB 3.43Å; E741-F744 PolarHBondContact O-N 3.17Å; A742-F744 VanDerWaalsContact C-N 3.29Å; A742-F744 PolarHBondContact O-N 3.03Å; F744-V747 PolarHBondContact O-N 3.43Å; F744-F748 AromaticContact CD1-CE2 3.91Å; F744-F748 HydrophobicContact CD1-CE2 3.91Å; F744-F748 AromaticContact CD2-CE2 3.99Å; F744-F748 HydrophobicContact CD2-CE2 3.99Å; F744-F748 HydrophobicContact CE1-CD2 4.44Å; F744-F748 AromaticContact CE1-CE2 3.51Å; F744-F748 HydrophobicContact CE1-CE2 3.51Å; F744-F748 HydrophobicContact CE1-CZ 4.25Å; F744-F748 AromaticContact CE2-CE2 3.59Å; F744-F748 HydrophobicContact CE2-CE2 3.59Å; F744-F748 AromaticContact CE2-CZ 3.86Å; F744-F748 HydrophobicContact CE2-CZ 3.86Å; F744-F748 HydrophobicContact CG-CE2 4.14Å; F744-F748 AromaticContact CZ-CE2 3.35Å; F744-F748 HydrophobicContact CZ-CE2 3.35Å; F744-F748 AromaticContact CZ-CZ 3.67Å; F744-F748 HydrophobicContact CZ-CZ 3.67Å; F744-F748 WeakPolarHBondContact O-CD2 3.42Å; F744-F748 WeakPolarHBondContact O-CE2 3.45Å |
| 745 | V | 97.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 174.7 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | V714 E741 A742 R743 V747 F748 V749 L786 L790 | V714-V745 HydrophobicContact CG2-CG1 3.96Å; V714-V745 HydrophobicContact CG2-CG2 4.1Å; E741-V745 WeakPolarHBondContact O-CG2 3.46Å; E741-V745 PolarHBondContact O-N 3.29Å; E741-V745 VanDerWaalsContact O-N 3.15Å; A742-V745 WeakPolarHBondContact O-CB 3.3Å; A742-V745 PolarHBondContact O-N 3.08Å; A742-V745 VanDerWaalsContact O-N 3.11Å; R743-V745 VanDerWaalsContact C-N 3.33Å; R743-V745 PolarHBondContact O-N 3.39Å; V745-V747 VanDerWaalsContact C-N 3.26Å; V745-V747 PolarHBondContact O-N 3.25Å; V745-F748 PolarHBondContact O-N 3.12Å; V745-V749 HydrophobicContact CG1-CG2 4.27Å; V745-V749 PolarHBondContact O-N 3.22Å; V745-L786 HydrophobicContact CG1-CD1 4.23Å; V745-L786 HydrophobicContact CG1-CG 4.25Å; V745-L790 HydrophobicContact CB-CD1 4.29Å; V745-L790 HydrophobicContact CB-CD2 4.07Å; V745-L790 HydrophobicContact CG1-CB 4.18Å; V745-L790 HydrophobicContact CG1-CD1 4.36Å; V745-L790 HydrophobicContact CG1-CD2 3.95Å; V745-L790 HydrophobicContact CG1-CG 4.39Å; V745-L790 HydrophobicContact CG2-CD1 4.27Å |
| 746 | Y | 96.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -35.4 | 178.6 | -75.2 | -57.6 | 0 | 0 | 0 | 113.3 | A742 R743 F748 V749 L750 L787 L790 V856 L869 | A742-Y746 HydrophobicContact CB-CE2 4.46Å; A742-Y746 WeakPolarHBondContact O-CD2 2.99Å; A742-Y746 PolarHBondContact O-N 3.05Å; R743-Y746 PolarHBondContact O-N 3.06Å; Y746-F748 VanDerWaalsContact C-N 3.31Å; Y746-F748 PolarHBondContact O-N 3.24Å; Y746-V749 PolarHBondContact O-N 2.75Å; Y746-L750 WeakPolarHBondContact O-CB 3.36Å; Y746-L750 WeakPolarHBondContact O-CG 3.34Å; Y746-L750 PolarHBondContact O-N 3.29Å; Y746-L787 HydrophobicContact CD1-CD1 4.22Å; Y746-L787 HydrophobicContact CE1-CD1 3.58Å; Y746-L790 HydrophobicContact CD1-CD2 4.4Å; Y746-L790 HydrophobicContact CE1-CD2 3.97Å; Y746-L790 HydrophobicContact CE2-CD2 4.1Å; Y746-V856 WeakPolarHBondContact CE2-O 3.37Å; Y746-V856 PolarHBondContact OH-O 3.1Å; Y746-L869 HydrophobicContact CE1-CD2 4.39Å; Y746-L869 WeakPolarHBondContact OH-CD1 3.47Å |
| 747 | V | 96.8 | Very high | 92.6 | Very high | 96 Ų | 96 | 54 Ų | 54 | 58% | 0.582 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -58.4 | -43.7 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | R743 F744 V745 G751 | R743-V747 PolarHBondContact O-N 3.16Å; F744-V747 PolarHBondContact O-N 3.43Å; V745-V747 VanDerWaalsContact C-N 3.26Å; V745-V747 PolarHBondContact O-N 3.25Å; V747-G751 PolarHBondContact O-N 3.07Å |
| 748 | F | 97.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.5 | -37.6 | 178 | -62.1 | -70.7 | 0 | 0 | 0 | 112.6 | A706 L709 F744 V745 Y746 G751 I752 L786 | A706-F748 HydrophobicContact CB-CB 4.49Å; A706-F748 HydrophobicContact CB-CD1 3.84Å; L709-F748 HydrophobicContact CB-CD1 4.39Å; L709-F748 HydrophobicContact CB-CE1 3.86Å; L709-F748 HydrophobicContact CB-CE2 4.03Å; L709-F748 HydrophobicContact CB-CZ 3.66Å; L709-F748 HydrophobicContact CD1-CE1 3.82Å; L709-F748 HydrophobicContact CD1-CZ 3.92Å; L709-F748 HydrophobicContact CG-CZ 4.44Å; F744-F748 AromaticContact CD1-CE2 3.91Å; F744-F748 HydrophobicContact CD1-CE2 3.91Å; F744-F748 AromaticContact CD2-CE2 3.99Å; F744-F748 HydrophobicContact CD2-CE2 3.99Å; F744-F748 HydrophobicContact CE1-CD2 4.44Å; F744-F748 AromaticContact CE1-CE2 3.51Å; F744-F748 HydrophobicContact CE1-CE2 3.51Å; F744-F748 HydrophobicContact CE1-CZ 4.25Å; F744-F748 AromaticContact CE2-CE2 3.59Å; F744-F748 HydrophobicContact CE2-CE2 3.59Å; F744-F748 AromaticContact CE2-CZ 3.86Å; F744-F748 HydrophobicContact CE2-CZ 3.86Å; F744-F748 HydrophobicContact CG-CE2 4.14Å; F744-F748 AromaticContact CZ-CE2 3.35Å; F744-F748 HydrophobicContact CZ-CE2 3.35Å; F744-F748 AromaticContact CZ-CZ 3.67Å; F744-F748 HydrophobicContact CZ-CZ 3.67Å; F744-F748 WeakPolarHBondContact O-CD2 3.42Å; F744-F748 WeakPolarHBondContact O-CE2 3.45Å; V745-F748 PolarHBondContact O-N 3.12Å; Y746-F748 VanDerWaalsContact C-N 3.31Å; Y746-F748 PolarHBondContact O-N 3.24Å; F748-G751 PolarHBondContact O-N 3.46Å; F748-I752 WeakPolarHBondContact O-CB 3.36Å; F748-I752 VanDerWaalsContact O-CG1 3.26Å; F748-I752 WeakPolarHBondContact O-CG1 3.09Å; F748-I752 PolarHBondContact O-N 3.36Å; F748-L786 HydrophobicContact CB-CD2 4.04Å |
| 749 | V | 97.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.4 | -54 | 172.8 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | V745 Y746 G751 I752 L753 L786 L787 | V745-V749 HydrophobicContact CG1-CG2 4.27Å; V745-V749 PolarHBondContact O-N 3.22Å; Y746-V749 PolarHBondContact O-N 2.75Å; V749-G751 VanDerWaalsContact C-N 3.33Å; V749-G751 PolarHBondContact O-N 2.96Å; V749-I752 PolarHBondContact O-N 3.31Å; V749-L753 HydrophobicContact CG1-CD1 3.89Å; V749-L753 HydrophobicContact CG1-CG 4.38Å; V749-L753 WeakPolarHBondContact O-CB 3.5Å; V749-L753 VanDerWaalsContact O-CG 3.28Å; V749-L753 WeakPolarHBondContact O-CG 3.17Å; V749-L753 PolarHBondContact O-N 3.31Å; V749-L786 HydrophobicContact CG2-CB 4.21Å; V749-L786 HydrophobicContact CG2-CD2 3.78Å; V749-L786 HydrophobicContact CG2-CG 3.74Å; V749-L787 HydrophobicContact CG1-CB 4.01Å; V749-L787 HydrophobicContact CG1-CD2 4.31Å; V749-L787 HydrophobicContact CG2-CB 4.13Å |
| 750 | L | 96.2 | Very high | 93.8 | Very high | 116 Ų | 116 | 52.9 Ų | 52.9 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 179.6 | -69.4 | 173 | 0 | 0 | 0 | 112 | Y746 L753 F754 | Y746-L750 WeakPolarHBondContact O-CB 3.36Å; Y746-L750 WeakPolarHBondContact O-CG 3.34Å; Y746-L750 PolarHBondContact O-N 3.29Å; L750-L753 PolarHBondContact O-N 3.48Å; L750-F754 WeakPolarHBondContact O-CB 3.45Å; L750-F754 PolarHBondContact O-N 3.3Å |
| 751 | G | 95.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V747 F748 V749 S755 | V747-G751 PolarHBondContact O-N 3.07Å; F748-G751 PolarHBondContact O-N 3.46Å; V749-G751 VanDerWaalsContact C-N 3.33Å; V749-G751 PolarHBondContact O-N 2.96Å; G751-S755 WeakPolarHBondContact O-CB 3.48Å; G751-S755 PolarHBondContact O-N 3.44Å |
| 752 | I | 96 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 177.4 | -67.3 | 168.1 | 0 | 0 | 0 | 110.6 | A706 L707 F748 V749 F754 S755 G756 E779 L786 | A706-I752 HydrophobicContact CB-CD1 4.04Å; A706-I752 HydrophobicContact CB-CG1 3.86Å; L707-I752 HydrophobicContact CB-CD1 4.17Å; F748-I752 WeakPolarHBondContact O-CB 3.36Å; F748-I752 VanDerWaalsContact O-CG1 3.26Å; F748-I752 WeakPolarHBondContact O-CG1 3.09Å; F748-I752 PolarHBondContact O-N 3.36Å; V749-I752 PolarHBondContact O-N 3.31Å; I752-F754 PolarHBondContact O-N 3.02Å; I752-S755 PolarHBondContact O-N 3.29Å; I752-G756 PolarHBondContact O-N 3.15Å; I752-E779 WeakPolarHBondContact CG2-O 3.39Å; I752-L786 HydrophobicContact CD1-CD2 3.94Å |
| 753 | L | 95.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 177.1 | -69.2 | 178.2 | 0 | 0 | 0 | 111.2 | V749 L750 S755 G756 T757 I780 | V749-L753 HydrophobicContact CG1-CD1 3.89Å; V749-L753 HydrophobicContact CG1-CG 4.38Å; V749-L753 WeakPolarHBondContact O-CB 3.5Å; V749-L753 VanDerWaalsContact O-CG 3.28Å; V749-L753 WeakPolarHBondContact O-CG 3.17Å; V749-L753 PolarHBondContact O-N 3.31Å; L750-L753 PolarHBondContact O-N 3.48Å; L753-S755 PolarHBondContact O-N 2.95Å; L753-G756 PolarHBondContact O-N 3.2Å; L753-T757 WeakPolarHBondContact O-CB 3.41Å; L753-T757 PolarHBondContact O-N 3.21Å; L753-T757 PolarHBondContact O-OG1 3.1Å; L753-T757 VanDerWaalsContact O-OG1 3.05Å; L753-I780 HydrophobicContact CD2-CB 4.49Å; L753-I780 HydrophobicContact CD2-CG2 4.1Å |
| 754 | F | 95.1 | Very high | 91.8 | Very high | 148 Ų | 148 | 57.2 Ų | 57.2 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 176.5 | 177.6 | -97.3 | 0 | 0 | 0 | 112 | L750 I752 G756 T757 K758 | L750-F754 WeakPolarHBondContact O-CB 3.45Å; L750-F754 PolarHBondContact O-N 3.3Å; I752-F754 PolarHBondContact O-N 3.02Å; F754-G756 VanDerWaalsContact C-N 3.33Å; F754-G756 PolarHBondContact O-N 3.33Å; F754-T757 PolarHBondContact O-N 3.42Å; F754-K758 HydrophobicContact CE1-CD 4.46Å; F754-K758 WeakPolarHBondContact O-CB 3.3Å; F754-K758 PolarHBondContact O-N 2.84Å |
| 755 | S | 93 | Very high | 90.9 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 12% | 0.119 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | G751 I752 L753 K758 D759 E779 | G751-S755 WeakPolarHBondContact O-CB 3.48Å; G751-S755 PolarHBondContact O-N 3.44Å; I752-S755 PolarHBondContact O-N 3.29Å; L753-S755 PolarHBondContact O-N 2.95Å; S755-K758 WeakPolarHBondContact O-CB 3.36Å; S755-K758 PolarHBondContact O-N 2.98Å; S755-D759 PolarHBondContact O-N 3.47Å; S755-E779 WeakPolarHBondContact CB-OE2 3.38Å; S755-E779 PolarHBondContact OG-OE2 2.89Å |
| 756 | G | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66 | -45.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I752 L753 F754 K758 D759 L760 G776 E779 | I752-G756 PolarHBondContact O-N 3.15Å; L753-G756 PolarHBondContact O-N 3.2Å; F754-G756 VanDerWaalsContact C-N 3.33Å; F754-G756 PolarHBondContact O-N 3.33Å; G756-K758 VanDerWaalsContact C-N 3.34Å; G756-K758 PolarHBondContact O-N 2.95Å; G756-D759 PolarHBondContact O-N 3.48Å; G756-L760 WeakPolarHBondContact O-CB 3.34Å; G756-L760 PolarHBondContact O-N 3.35Å; G756-G776 WeakPolarHBondContact CA-O 3.49Å; G756-G776 WeakPolarHBondContact O-CA 3.47Å; G756-E779 PolarHBondContact N-OE2 3.39Å; G756-E779 VanDerWaalsContact N-OE2 3.15Å |
| 757 | T | 90.9 | Very high | 87.4 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | L753 F754 L760 L761 | L753-T757 WeakPolarHBondContact O-CB 3.41Å; L753-T757 PolarHBondContact O-N 3.21Å; L753-T757 PolarHBondContact O-OG1 3.1Å; L753-T757 VanDerWaalsContact O-OG1 3.05Å; F754-T757 PolarHBondContact O-N 3.42Å; T757-L760 PolarHBondContact O-N 2.82Å; T757-L761 HydrophobicContact CG2-CD1 4.02Å; T757-L761 HydrophobicContact CG2-CG 4.33Å; T757-L761 WeakPolarHBondContact O-CB 3.41Å; T757-L761 WeakPolarHBondContact O-CG 3.13Å; T757-L761 PolarHBondContact O-N 2.73Å |
| 758 | K | 91.4 | Very high | 85.6 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 39% | 0.387 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 174.9 | 175.8 | -171.2 | 61.6 | 62.4 | 0 | 111.5 | F754 S755 G756 L760 L761 R762 | F754-K758 HydrophobicContact CE1-CD 4.46Å; F754-K758 WeakPolarHBondContact O-CB 3.3Å; F754-K758 PolarHBondContact O-N 2.84Å; S755-K758 WeakPolarHBondContact O-CB 3.36Å; S755-K758 PolarHBondContact O-N 2.98Å; G756-K758 VanDerWaalsContact C-N 3.34Å; G756-K758 PolarHBondContact O-N 2.95Å; K758-L760 VanDerWaalsContact C-N 3.29Å; K758-L760 PolarHBondContact O-N 3.4Å; K758-L761 PolarHBondContact O-N 2.87Å; K758-R762 WeakPolarHBondContact O-CB 3.49Å; K758-R762 PolarHBondContact O-N 3.12Å |
| 759 | D | 88.4 | Confident | 84.2 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | 178.9 | -78.7 | 0.7 | 0 | 0 | 0 | 111 | S755 G756 S763 L772 R775 | S755-D759 PolarHBondContact O-N 3.47Å; G756-D759 PolarHBondContact O-N 3.48Å; D759-S763 WeakPolarHBondContact O-CB 3.34Å; D759-S763 PolarHBondContact O-N 3.37Å; D759-L772 HydrophobicContact CB-CD1 3.85Å; D759-L772 HydrophobicContact CB-CG 4.23Å; D759-R775 IonicContact OD2-CZ 2.69Å; D759-R775 IonicContact OD2-NE 3.17Å; D759-R775 IonicContact OD2-NH2 3.98Å |
| 760 | L | 86.1 | Confident | 83.1 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -49.7 | 175.1 | -172.6 | 65.1 | 0 | 0 | 0 | 112.5 | G756 T757 K758 R762 S763 Q764 K773 I780 M959 | G756-L760 WeakPolarHBondContact O-CB 3.34Å; G756-L760 PolarHBondContact O-N 3.35Å; T757-L760 PolarHBondContact O-N 2.82Å; K758-L760 VanDerWaalsContact C-N 3.29Å; K758-L760 PolarHBondContact O-N 3.4Å; L760-R762 VanDerWaalsContact C-N 3.33Å; L760-R762 PolarHBondContact O-N 2.95Å; L760-S763 WeakPolarHBondContact O-CB 3.39Å; L760-S763 PolarHBondContact O-N 2.92Å; L760-S763 PolarHBondContact O-OG 2.88Å; L760-Q764 WeakPolarHBondContact O-CG 3.15Å; L760-Q764 PolarHBondContact O-N 3.04Å; L760-K773 HydrophobicContact CD1-CG 3.96Å; L760-I780 HydrophobicContact CD2-CD1 4.29Å; L760-M959 HydrophobicContact CD1-CE 3.52Å; L760-M959 HydrophobicContact CD1-SD 3.78Å; L760-M959 HydrophobicContact CD2-CE 3.5Å; L760-M959 VanDerWaalsContact CD2-CE 3.5Å; L760-M959 HydrophobicContact CG-CE 3.99Å |
| 761 | L | 86 | Confident | 82.3 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 58% | 0.576 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 177.1 | -73.2 | 171.6 | 0 | 0 | 0 | 111.6 | T757 K758 S763 Q764 I765 | T757-L761 HydrophobicContact CG2-CD1 4.02Å; T757-L761 HydrophobicContact CG2-CG 4.33Å; T757-L761 WeakPolarHBondContact O-CB 3.41Å; T757-L761 WeakPolarHBondContact O-CG 3.13Å; T757-L761 PolarHBondContact O-N 2.73Å; K758-L761 PolarHBondContact O-N 2.87Å; L761-S763 VanDerWaalsContact C-N 3.29Å; L761-S763 PolarHBondContact O-N 3.41Å; L761-Q764 WeakPolarHBondContact O-CB 3.36Å; L761-Q764 PolarHBondContact O-N 2.88Å; L761-Q764 VanDerWaalsContact O-N 3.12Å; L761-I765 PolarHBondContact O-N 3.04Å |
| 762 | R | 85 | Confident | 81.7 | Confident | 151 Ų | 151 | 72 Ų | 72 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.5 | -37.8 | 176.6 | -171.6 | 178 | -175.5 | -169.4 | 3.5 | 111.9 | K758 L760 Q764 I765 V766 L772 | K758-R762 WeakPolarHBondContact O-CB 3.49Å; K758-R762 PolarHBondContact O-N 3.12Å; L760-R762 VanDerWaalsContact C-N 3.33Å; L760-R762 PolarHBondContact O-N 2.95Å; R762-Q764 PolarHBondContact O-N 3.41Å; R762-I765 PolarHBondContact O-N 3.26Å; R762-V766 HydrophobicContact CG-CG2 4.23Å; R762-V766 PolarHBondContact O-N 3.48Å; R762-L772 HydrophobicContact CB-CD2 4.03Å; R762-L772 HydrophobicContact CG-CD2 3.94Å |
| 763 | S | 79.9 | Confident | 81.1 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 4% | 0.035 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.3 | -20.1 | 176.4 | 79.9 | 0 | 0 | 0 | 0 | 114.1 | D759 L760 L761 | D759-S763 WeakPolarHBondContact O-CB 3.34Å; D759-S763 PolarHBondContact O-N 3.37Å; L760-S763 WeakPolarHBondContact O-CB 3.39Å; L760-S763 PolarHBondContact O-N 2.92Å; L760-S763 PolarHBondContact O-OG 2.88Å; L761-S763 VanDerWaalsContact C-N 3.29Å; L761-S763 PolarHBondContact O-N 3.41Å |
| 764 | Q | 76.6 | Confident | 80.7 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -84.4 | -29.8 | 175.3 | -61.3 | -70.3 | -11.3 | 0 | 0 | 112.3 | L760 L761 R762 T958 | L760-Q764 WeakPolarHBondContact O-CG 3.15Å; L760-Q764 PolarHBondContact O-N 3.04Å; L761-Q764 WeakPolarHBondContact O-CB 3.36Å; L761-Q764 PolarHBondContact O-N 2.88Å; L761-Q764 VanDerWaalsContact O-N 3.12Å; R762-Q764 PolarHBondContact O-N 3.41Å; Q764-T958 PolarHBondContact NE2-O 3.2Å; Q764-T958 VanDerWaalsContact NE2-O 3.07Å |
| 765 | I | 76.6 | Confident | 80.4 | Confident | 144 Ų | 144 | 69.1 Ų | 69.1 | 74% | 0.738 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -88.4 | -44.6 | -176.8 | -62.9 | 168.2 | 0 | 0 | 0 | 111.7 | L761 R762 | L761-I765 PolarHBondContact O-N 3.04Å; R762-I765 PolarHBondContact O-N 3.26Å |
| 766 | V | 66.6 | Low | 80.3 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -92.1 | 119.5 | 179.4 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | R762 A768 | R762-V766 HydrophobicContact CG-CG2 4.23Å; R762-V766 PolarHBondContact O-N 3.48Å; V766-A768 PolarHBondContact O-N 3.03Å |
| 767 | T | 54.2 | Low | 80.2 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 83% | 0.834 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -26.6 | 100.7 | -177.7 | 38.4 | 0 | 0 | 0 | 0 | 114 | D769 | T767-D769 PolarHBondContact O-N 2.93Š|
| 768 | A | 57.9 | Low | 80.3 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 28.8 | 54.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | V766 A770 | V766-A768 PolarHBondContact O-N 3.03Å; A768-A770 VanDerWaalsContact C-N 3.35Å; A768-A770 PolarHBondContact O-N 3.16Å |
| 769 | D | 69.6 | Low | 80.4 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | trans | -73 | 92.6 | 165.6 | -173.2 | -4.3 | 0 | 0 | 0 | 109.7 | T767 K771 L772 K773 | T767-D769 PolarHBondContact O-N 2.93Å; D769-K771 PolarHBondContact O-N 3.34Å; D769-K771 VanDerWaalsContact O-N 3.17Å; D769-K771 WeakPolarHBondContact OD1-CB 3.45Å; D769-K771 PolarHBondContact OD1-N 3.47Å; D769-L772 HydrophobicContact CB-CB 3.87Å; D769-L772 PolarHBondContact O-N 3.4Å; D769-L772 PolarHBondContact OD1-N 3.12Å; D769-K773 PolarHBondContact O-N 2.79Å | ||
| 770 | A | 73.2 | Confident | 80.7 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.6 | -28.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A768 S774 | A768-A770 VanDerWaalsContact C-N 3.35Å; A768-A770 PolarHBondContact O-N 3.16Å; A770-S774 WeakPolarHBondContact O-CB 3.38Å; A770-S774 PolarHBondContact O-N 3.48Å |
| 771 | K | 79.8 | Confident | 81.2 | Confident | 167 Ų | 167 | 64.9 Ų | 64.9 | 73% | 0.726 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -72.3 | -41.8 | 176.3 | -65.6 | -179 | 179.1 | 177.9 | 0 | 111 | D769 S774 R775 | D769-K771 PolarHBondContact O-N 3.34Å; D769-K771 VanDerWaalsContact O-N 3.17Å; D769-K771 WeakPolarHBondContact OD1-CB 3.45Å; D769-K771 PolarHBondContact OD1-N 3.47Å; K771-S774 PolarHBondContact O-N 3.43Å; K771-R775 WeakPolarHBondContact O-CB 3.37Å; K771-R775 PolarHBondContact O-N 2.95Å |
| 772 | L | 83.3 | Confident | 81.6 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.3 | -171.1 | 65.6 | 0 | 0 | 0 | 111.3 | D759 R762 D769 R775 G776 | D759-L772 HydrophobicContact CB-CD1 3.85Å; D759-L772 HydrophobicContact CB-CG 4.23Å; R762-L772 HydrophobicContact CB-CD2 4.03Å; R762-L772 HydrophobicContact CG-CD2 3.94Å; D769-L772 HydrophobicContact CB-CB 3.87Å; D769-L772 PolarHBondContact O-N 3.4Å; D769-L772 PolarHBondContact OD1-N 3.12Å; L772-R775 PolarHBondContact O-N 3.12Å; L772-G776 PolarHBondContact O-N 3.04Å |
| 773 | K | 83.6 | Confident | 82.2 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 174.2 | -177 | -176.4 | 175.7 | -168.5 | 0 | 112 | L760 D769 R775 G776 L777 M959 | L760-K773 HydrophobicContact CD1-CG 3.96Å; D769-K773 PolarHBondContact O-N 2.79Å; K773-R775 VanDerWaalsContact C-N 3.34Å; K773-R775 PolarHBondContact O-N 3.44Å; K773-G776 PolarHBondContact O-N 3.22Å; K773-L777 PolarHBondContact O-N 3.43Å; K773-L777 VanDerWaalsContact O-N 3.12Å; K773-M959 WeakPolarHBondContact CE-SD 3.48Å; K773-M959 HydrophobicContact CG-SD 4.36Å; K773-M959 PolarHBondContact NZ-O 3.4Å |
| 774 | S | 86.4 | Confident | 83 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 179.1 | 179 | 0 | 0 | 0 | 0 | 111.6 | A770 K771 L777 W778 S891 | A770-S774 WeakPolarHBondContact O-CB 3.38Å; A770-S774 PolarHBondContact O-N 3.48Å; K771-S774 PolarHBondContact O-N 3.43Å; S774-L777 PolarHBondContact O-N 3Å; S774-W778 PolarHBondContact O-N 3.44Å; S774-S891 WeakPolarHBondContact OG-CB 3.36Å |
| 775 | R | 88.7 | Confident | 84 | Confident | 100 Ų | 100 | 48.7 Ų | 48.7 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.8 | 177.2 | 173.9 | 159 | -167.1 | -21.4 | 112 | D759 K771 L772 K773 L777 W778 E779 | D759-R775 IonicContact OD2-CZ 2.69Å; D759-R775 IonicContact OD2-NE 3.17Å; D759-R775 IonicContact OD2-NH2 3.98Å; K771-R775 WeakPolarHBondContact O-CB 3.37Å; K771-R775 PolarHBondContact O-N 2.95Å; L772-R775 PolarHBondContact O-N 3.12Å; K773-R775 VanDerWaalsContact C-N 3.34Å; K773-R775 PolarHBondContact O-N 3.44Å; R775-L777 VanDerWaalsContact C-N 3.29Å; R775-L777 PolarHBondContact O-N 2.84Å; R775-W778 PolarHBondContact O-N 3.32Å; R775-E779 HydrophobicContact CG-CG 4.41Å; R775-E779 IonicContact CZ-OE1 3.31Å; R775-E779 IonicContact NE-OE1 2.76Å; R775-E779 PolarHBondContact NE-OE1 3.2Å; R775-E779 IonicContact NH2-OE1 3.81Å; R775-E779 WeakPolarHBondContact O-CG 3.29Å; R775-E779 PolarHBondContact O-N 3.21Å |
| 776 | G | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.9 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G756 L772 K773 E779 I780 | G756-G776 WeakPolarHBondContact CA-O 3.49Å; G756-G776 WeakPolarHBondContact O-CA 3.47Å; L772-G776 PolarHBondContact O-N 3.04Å; K773-G776 PolarHBondContact O-N 3.22Å; G776-E779 PolarHBondContact O-N 3.2Å; G776-I780 WeakPolarHBondContact O-CG1 3.15Å; G776-I780 PolarHBondContact O-N 2.77Å |
| 777 | L | 90.6 | Very high | 86.5 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.5 | -72.1 | 169 | 0 | 0 | 0 | 113 | K773 S774 R775 E779 I780 Y781 V886 M959 | K773-L777 PolarHBondContact O-N 3.43Å; K773-L777 VanDerWaalsContact O-N 3.12Å; S774-L777 PolarHBondContact O-N 3Å; R775-L777 VanDerWaalsContact C-N 3.29Å; R775-L777 PolarHBondContact O-N 2.84Å; L777-E779 VanDerWaalsContact C-N 3.27Å; L777-E779 PolarHBondContact O-N 3.29Å; L777-I780 PolarHBondContact O-N 2.76Å; L777-Y781 WeakPolarHBondContact O-CB 3.3Å; L777-Y781 PolarHBondContact O-N 3.34Å; L777-V886 HydrophobicContact CD2-CG1 4.31Å; L777-M959 HydrophobicContact CD1-CG 4.2Å; L777-M959 HydrophobicContact CD1-SD 3.66Å; L777-M959 HydrophobicContact CD2-CE 4.12Å; L777-M959 HydrophobicContact CD2-CG 4.06Å; L777-M959 HydrophobicContact CD2-SD 3.57Å; L777-M959 VanDerWaalsContact CD2-SD 3.57Å; L777-M959 HydrophobicContact CG-SD 3.89Å |
| 778 | W | 92.9 | Very high | 88.5 | Confident | 40 Ų | 40 | 32.3 Ų | 32.3 | 15% | 0.152 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -29.7 | 177.9 | -78.3 | 110.7 | 0 | 0 | 0 | 112.6 | R698 S774 R775 Y781 G782 H884 C887 | R698-W778 HydrophobicContact CB-CB 3.61Å; R698-W778 HydrophobicContact CB-CD2 3.89Å; R698-W778 HydrophobicContact CB-CE3 4.34Å; R698-W778 HydrophobicContact CB-CG 3.54Å; R698-W778 HydrophobicContact CG-CD2 3.93Å; R698-W778 HydrophobicContact CG-CE3 4.35Å; R698-W778 HydrophobicContact CG-CG 4.01Å; S774-W778 PolarHBondContact O-N 3.44Å; R775-W778 PolarHBondContact O-N 3.32Å; W778-Y781 AromaticContact CE3-CD1 3.85Å; W778-Y781 HydrophobicContact CE3-CD1 3.85Å; W778-Y781 HydrophobicContact CE3-CE1 4.42Å; W778-Y781 HydrophobicContact CE3-CG 4.39Å; W778-Y781 AromaticContact CZ3-CD1 3.89Å; W778-Y781 HydrophobicContact CZ3-CD1 3.89Å; W778-Y781 HydrophobicContact CZ3-CE1 4.03Å; W778-G782 PolarHBondContact O-N 2.78Å; W778-H884 AromaticContact CH2-CD2 3.85Å; W778-H884 AromaticContact CH2-NE2 3.79Å; W778-C887 HydrophobicContact CD2-CB 4.37Å; W778-C887 HydrophobicContact CH2-CB 4.38Å; W778-C887 HydrophobicContact CZ2-CB 4.05Å |
| 779 | E | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -47.4 | 171.1 | -74.6 | -177.4 | -167.4 | 0 | 0 | 111.4 | S700 I752 S755 G756 R775 G776 L777 Y781 G782 G783 | S700-E779 WeakPolarHBondContact CB-OE1 3.5Å; S700-E779 PolarHBondContact N-OE1 3.03Å; S700-E779 PolarHBondContact OG-OE1 3.41Å; I752-E779 WeakPolarHBondContact CG2-O 3.39Å; S755-E779 WeakPolarHBondContact CB-OE2 3.38Å; S755-E779 PolarHBondContact OG-OE2 2.89Å; G756-E779 PolarHBondContact N-OE2 3.39Å; G756-E779 VanDerWaalsContact N-OE2 3.15Å; R775-E779 HydrophobicContact CG-CG 4.41Å; R775-E779 IonicContact CZ-OE1 3.31Å; R775-E779 IonicContact NE-OE1 2.76Å; R775-E779 PolarHBondContact NE-OE1 3.2Å; R775-E779 IonicContact NH2-OE1 3.81Å; R775-E779 WeakPolarHBondContact O-CG 3.29Å; R775-E779 PolarHBondContact O-N 3.21Å; G776-E779 PolarHBondContact O-N 3.2Å; L777-E779 VanDerWaalsContact C-N 3.27Å; L777-E779 PolarHBondContact O-N 3.29Å; E779-Y781 VanDerWaalsContact C-N 3.31Å; E779-Y781 PolarHBondContact O-N 3.23Å; E779-G782 PolarHBondContact O-N 3.49Å; E779-G782 VanDerWaalsContact O-N 3.15Å; E779-G783 PolarHBondContact O-N 3.35Å |
| 780 | I | 93.9 | Very high | 91.7 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 26% | 0.256 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -58 | -46.3 | 175.2 | -67.8 | 168.5 | 0 | 0 | 0 | 110.6 | L753 L760 G776 L777 G782 G783 L784 | L753-I780 HydrophobicContact CD2-CB 4.49Å; L753-I780 HydrophobicContact CD2-CG2 4.1Å; L760-I780 HydrophobicContact CD2-CD1 4.29Å; G776-I780 WeakPolarHBondContact O-CG1 3.15Å; G776-I780 PolarHBondContact O-N 2.77Å; L777-I780 PolarHBondContact O-N 2.76Å; I780-G782 PolarHBondContact O-N 2.95Å; I780-G783 PolarHBondContact O-N 3.08Å; I780-L784 PolarHBondContact O-N 3.06Å |
| 781 | Y | 95.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 176 | 177.1 | -92.4 | 0 | 0 | 0 | 112 | L777 W778 E779 G783 L784 V785 L804 Q807 L880 C883 H884 | L777-Y781 WeakPolarHBondContact O-CB 3.3Å; L777-Y781 PolarHBondContact O-N 3.34Å; W778-Y781 AromaticContact CE3-CD1 3.85Å; W778-Y781 HydrophobicContact CE3-CD1 3.85Å; W778-Y781 HydrophobicContact CE3-CE1 4.42Å; W778-Y781 HydrophobicContact CE3-CG 4.39Å; W778-Y781 AromaticContact CZ3-CD1 3.89Å; W778-Y781 HydrophobicContact CZ3-CD1 3.89Å; W778-Y781 HydrophobicContact CZ3-CE1 4.03Å; E779-Y781 VanDerWaalsContact C-N 3.31Å; E779-Y781 PolarHBondContact O-N 3.23Å; Y781-G783 PolarHBondContact O-N 2.84Å; Y781-L784 WeakPolarHBondContact O-CB 3.12Å; Y781-L784 PolarHBondContact O-N 3.39Å; Y781-V785 HydrophobicContact CD1-CG2 4.16Å; Y781-V785 HydrophobicContact CE1-CG2 3.68Å; Y781-V785 HydrophobicContact CE2-CG2 4.4Å; Y781-V785 WeakPolarHBondContact O-CG2 3.33Å; Y781-V785 PolarHBondContact O-N 3.47Å; Y781-L804 HydrophobicContact CE1-CD2 4.29Å; Y781-L804 WeakPolarHBondContact OH-CD2 3.31Å; Y781-Q807 PolarHBondContact OH-OE1 3.45Å; Y781-L880 HydrophobicContact CE2-CD2 4.28Å; Y781-C883 HydrophobicContact CD2-CB 4.09Å; Y781-H884 HydrophobicContact CE2-CB 4.02Å |
| 782 | G | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W778 E779 I780 V785 L786 | W778-G782 PolarHBondContact O-N 2.78Å; E779-G782 PolarHBondContact O-N 3.49Å; E779-G782 VanDerWaalsContact O-N 3.15Å; I780-G782 PolarHBondContact O-N 2.95Å; G782-V785 PolarHBondContact O-N 3.48Å; G782-L786 PolarHBondContact O-N 2.89Å |
| 783 | G | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E779 I780 Y781 L786 L787 | E779-G783 PolarHBondContact O-N 3.35Å; I780-G783 PolarHBondContact O-N 3.08Å; Y781-G783 PolarHBondContact O-N 2.84Å; G783-L786 PolarHBondContact O-N 2.9Å; G783-L787 PolarHBondContact O-N 2.81Å |
| 784 | L | 96.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 16.8 Ų | 16.8 | 14% | 0.136 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.1 | -171.6 | 63.4 | 0 | 0 | 0 | 111.9 | I780 Y781 L786 L787 V788 L872 L879 L880 C883 | I780-L784 PolarHBondContact O-N 3.06Å; Y781-L784 WeakPolarHBondContact O-CB 3.12Å; Y781-L784 PolarHBondContact O-N 3.39Å; L784-L786 VanDerWaalsContact C-N 3.33Å; L784-L786 PolarHBondContact O-N 3.07Å; L784-L787 PolarHBondContact O-N 3.3Å; L784-V788 WeakPolarHBondContact O-CG2 3.41Å; L784-V788 PolarHBondContact O-N 3.31Å; L784-L872 HydrophobicContact CD1-CD1 3.72Å; L784-L872 HydrophobicContact CD1-CD2 4.32Å; L784-L879 HydrophobicContact CD1-CD2 4.2Å; L784-L879 HydrophobicContact CD2-CD2 4.05Å; L784-L879 HydrophobicContact CD2-CG 4.17Å; L784-L880 HydrophobicContact CB-CD2 4.4Å; L784-L880 HydrophobicContact CD2-CD2 3.78Å; L784-L880 HydrophobicContact CG-CD2 3.82Å; L784-C883 HydrophobicContact CD2-CB 4.36Å |
| 785 | V | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | I691 V695 Y781 G782 V788 S789 L800 L804 L880 | I691-V785 HydrophobicContact CG2-CG1 3.87Å; V695-V785 HydrophobicContact CG2-CB 4.46Å; V695-V785 HydrophobicContact CG2-CG1 3.98Å; Y781-V785 HydrophobicContact CD1-CG2 4.16Å; Y781-V785 HydrophobicContact CE1-CG2 3.68Å; Y781-V785 HydrophobicContact CE2-CG2 4.4Å; Y781-V785 WeakPolarHBondContact O-CG2 3.33Å; Y781-V785 PolarHBondContact O-N 3.47Å; G782-V785 PolarHBondContact O-N 3.48Å; V785-V788 PolarHBondContact O-N 3.31Å; V785-S789 WeakPolarHBondContact O-CB 3.46Å; V785-S789 PolarHBondContact O-N 3.34Å; V785-S789 PolarHBondContact O-OG 3.48Å; V785-L800 HydrophobicContact CG1-CD2 4.48Å; V785-L804 HydrophobicContact CG1-CD1 3.73Å; V785-L804 HydrophobicContact CG1-CD2 4.41Å; V785-L804 HydrophobicContact CG2-CD2 3.87Å; V785-L880 HydrophobicContact CG2-CD2 3.86Å |
| 786 | L | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.8 | 178.5 | 60.2 | 0 | 0 | 0 | 111.6 | L707 L711 V714 V745 F748 V749 I752 G782 G783 L784 S789 L790 | L707-L786 HydrophobicContact CD1-CB 3.98Å; L707-L786 HydrophobicContact CD1-CD1 4.31Å; L707-L786 HydrophobicContact CD1-CD2 4.42Å; L707-L786 HydrophobicContact CD1-CG 4.46Å; L711-L786 HydrophobicContact CD2-CD1 3.86Å; L711-L786 HydrophobicContact CG-CD1 3.97Å; V714-L786 HydrophobicContact CG2-CD1 4.25Å; V745-L786 HydrophobicContact CG1-CD1 4.23Å; V745-L786 HydrophobicContact CG1-CG 4.25Å; F748-L786 HydrophobicContact CB-CD2 4.04Å; V749-L786 HydrophobicContact CG2-CB 4.21Å; V749-L786 HydrophobicContact CG2-CD2 3.78Å; V749-L786 HydrophobicContact CG2-CG 3.74Å; I752-L786 HydrophobicContact CD1-CD2 3.94Å; G782-L786 PolarHBondContact O-N 2.89Å; G783-L786 PolarHBondContact O-N 2.9Å; L784-L786 VanDerWaalsContact C-N 3.33Å; L784-L786 PolarHBondContact O-N 3.07Å; L786-S789 WeakPolarHBondContact O-CB 3.32Å; L786-S789 PolarHBondContact O-N 3.05Å; L786-L790 PolarHBondContact O-N 3Å; L786-L790 VanDerWaalsContact O-N 3.11Å |
| 787 | L | 97.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 12.2 Ų | 12.2 | 6% | 0.058 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 176 | -179.4 | 53.3 | 0 | 0 | 0 | 111.6 | Y746 V749 G783 L784 S789 L790 L791 F868 L869 L872 | Y746-L787 HydrophobicContact CD1-CD1 4.22Å; Y746-L787 HydrophobicContact CE1-CD1 3.58Å; V749-L787 HydrophobicContact CG1-CB 4.01Å; V749-L787 HydrophobicContact CG1-CD2 4.31Å; V749-L787 HydrophobicContact CG2-CB 4.13Å; G783-L787 PolarHBondContact O-N 2.81Å; L784-L787 PolarHBondContact O-N 3.3Å; L787-S789 VanDerWaalsContact C-N 3.29Å; L787-S789 PolarHBondContact O-N 3.12Å; L787-L790 WeakPolarHBondContact O-CB 3.46Å; L787-L790 PolarHBondContact O-N 3.43Å; L787-L790 VanDerWaalsContact O-N 3.12Å; L787-L791 HydrophobicContact CD1-CD1 4.27Å; L787-L791 HydrophobicContact CD1-CG 4.36Å; L787-L791 HydrophobicContact CG-CD1 4.27Å; L787-L791 WeakPolarHBondContact O-CG 3.44Å; L787-L791 PolarHBondContact O-N 2.91Å; L787-L791 VanDerWaalsContact O-N 3.09Å; L787-F868 HydrophobicContact CD2-CE1 4.48Å; L787-L869 HydrophobicContact CD1-CD2 4.23Å; L787-L872 HydrophobicContact CD2-CD2 3.25Å; L787-L872 HydrophobicContact CG-CD2 3.6Å |
| 788 | V | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L784 V785 L790 L791 F792 L800 A876 L880 | L784-V788 WeakPolarHBondContact O-CG2 3.41Å; L784-V788 PolarHBondContact O-N 3.31Å; V785-V788 PolarHBondContact O-N 3.31Å; V788-L790 VanDerWaalsContact C-N 3.26Å; V788-L790 PolarHBondContact O-N 3.23Å; V788-L791 PolarHBondContact O-N 2.9Å; V788-L791 VanDerWaalsContact O-N 3.15Å; V788-F792 HydrophobicContact CG1-CD1 3.68Å; V788-F792 HydrophobicContact CG1-CD2 4.24Å; V788-F792 HydrophobicContact CG1-CE1 3.49Å; V788-F792 VanDerWaalsContact CG1-CE1 3.49Å; V788-F792 HydrophobicContact CG1-CE2 4.06Å; V788-F792 HydrophobicContact CG1-CG 4.06Å; V788-F792 HydrophobicContact CG1-CZ 3.68Å; V788-F792 WeakPolarHBondContact O-CB 3.3Å; V788-F792 PolarHBondContact O-N 2.63Å; V788-L800 HydrophobicContact CG1-CD1 4.18Å; V788-L800 HydrophobicContact CG1-CD2 4.15Å; V788-A876 HydrophobicContact CG1-CB 3.76Å; V788-A876 HydrophobicContact CG2-CB 4.05Å; V788-L880 HydrophobicContact CB-CD1 4.38Å; V788-L880 HydrophobicContact CG1-CD1 4.12Å; V788-L880 HydrophobicContact CG2-CD1 4.23Å; V788-L880 HydrophobicContact CG2-CD2 4.46Å; V788-L880 HydrophobicContact CG2-CG 4.43Å |
| 789 | S | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.9 | -35.4 | 175.3 | -57 | 0 | 0 | 0 | 0 | 112.4 | V714 V785 L786 L787 L800 | V714-S789 WeakPolarHBondContact CG1-O 3.37Å; V785-S789 WeakPolarHBondContact O-CB 3.46Å; V785-S789 PolarHBondContact O-N 3.34Å; V785-S789 PolarHBondContact O-OG 3.48Å; L786-S789 WeakPolarHBondContact O-CB 3.32Å; L786-S789 PolarHBondContact O-N 3.05Å; L787-S789 VanDerWaalsContact C-N 3.29Å; L787-S789 PolarHBondContact O-N 3.12Å; S789-L800 VanDerWaalsContact OG-CD2 3.24Å; S789-L800 WeakPolarHBondContact OG-CD2 3.37Å |
| 790 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | 174.3 | 178.2 | 64.6 | 0 | 0 | 0 | 111.6 | V714 Y717 R718 A742 V745 Y746 L786 L787 V788 V856 | V714-L790 HydrophobicContact CG2-CB 4.08Å; V714-L790 HydrophobicContact CG2-CD1 4.33Å; Y717-L790 HydrophobicContact CD1-CD1 3.69Å; Y717-L790 HydrophobicContact CE1-CD1 4.19Å; Y717-L790 HydrophobicContact CG-CD1 4.06Å; R718-L790 PolarHBondContact NH2-O 3.43Å; A742-L790 HydrophobicContact CB-CD1 4.46Å; V745-L790 HydrophobicContact CB-CD1 4.29Å; V745-L790 HydrophobicContact CB-CD2 4.07Å; V745-L790 HydrophobicContact CG1-CB 4.18Å; V745-L790 HydrophobicContact CG1-CD1 4.36Å; V745-L790 HydrophobicContact CG1-CD2 3.95Å; V745-L790 HydrophobicContact CG1-CG 4.39Å; V745-L790 HydrophobicContact CG2-CD1 4.27Å; Y746-L790 HydrophobicContact CD1-CD2 4.4Å; Y746-L790 HydrophobicContact CE1-CD2 3.97Å; Y746-L790 HydrophobicContact CE2-CD2 4.1Å; L786-L790 PolarHBondContact O-N 3Å; L786-L790 VanDerWaalsContact O-N 3.11Å; L787-L790 WeakPolarHBondContact O-CB 3.46Å; L787-L790 PolarHBondContact O-N 3.43Å; L787-L790 VanDerWaalsContact O-N 3.12Å; V788-L790 VanDerWaalsContact C-N 3.26Å; V788-L790 PolarHBondContact O-N 3.23Å; L790-V856 HydrophobicContact CD1-CG1 4.09Å; L790-V856 HydrophobicContact CD2-CG1 4.01Å; L790-V856 HydrophobicContact CG-CG1 3.86Å |
| 791 | L | 94.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -75.9 | -39.1 | -174.7 | -62.6 | 176.4 | 0 | 0 | 0 | 112.7 | R718 L787 V788 R793 V853 V856 L869 L872 | R718-L791 PolarHBondContact NH2-O 3.22Å; L787-L791 HydrophobicContact CD1-CD1 4.27Å; L787-L791 HydrophobicContact CD1-CG 4.36Å; L787-L791 HydrophobicContact CG-CD1 4.27Å; L787-L791 WeakPolarHBondContact O-CG 3.44Å; L787-L791 PolarHBondContact O-N 2.91Å; L787-L791 VanDerWaalsContact O-N 3.09Å; V788-L791 PolarHBondContact O-N 2.9Å; V788-L791 VanDerWaalsContact O-N 3.15Å; L791-R793 PolarHBondContact O-N 3.4Å; L791-V853 HydrophobicContact CD2-CB 4.4Å; L791-V853 WeakPolarHBondContact O-CG1 3.29Å; L791-V856 HydrophobicContact CD2-CB 4.21Å; L791-V856 HydrophobicContact CD2-CG2 4.23Å; L791-L869 HydrophobicContact CD1-CD2 4.17Å; L791-L869 HydrophobicContact CD2-CB 4.32Å; L791-L869 HydrophobicContact CD2-CD2 4.2Å; L791-L872 HydrophobicContact CD1-CB 4.37Å; L791-L872 HydrophobicContact CD1-CD2 3.92Å; L791-L872 HydrophobicContact CD1-CG 4.09Å |
| 792 | F | 92.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 3% | 0.026 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -63.6 | 128.7 | -178.4 | -85.9 | 19.9 | 0 | 0 | 0 | 112.9 | R718 V788 N796 L800 Q840 A876 | R718-F792 VanDerWaalsContact CZ-O 3.3Å; R718-F792 PolarHBondContact NH2-O 2.92Å; V788-F792 HydrophobicContact CG1-CD1 3.68Å; V788-F792 HydrophobicContact CG1-CD2 4.24Å; V788-F792 HydrophobicContact CG1-CE1 3.49Å; V788-F792 VanDerWaalsContact CG1-CE1 3.49Å; V788-F792 HydrophobicContact CG1-CE2 4.06Å; V788-F792 HydrophobicContact CG1-CG 4.06Å; V788-F792 HydrophobicContact CG1-CZ 3.68Å; V788-F792 WeakPolarHBondContact O-CB 3.3Å; V788-F792 PolarHBondContact O-N 2.63Å; F792-N796 HydrophobicContact CB-CB 4.32Å; F792-N796 HydrophobicContact CD2-CB 4.09Å; F792-N796 HydrophobicContact CG-CB 4.39Å; F792-L800 HydrophobicContact CD2-CB 3.93Å; F792-L800 HydrophobicContact CE2-CB 3.92Å; F792-Q840 HydrophobicContact CZ-CG 4.23Å; F792-A876 HydrophobicContact CE1-CB 3.4Å; F792-A876 VanDerWaalsContact CE1-CB 3.4Å; F792-A876 HydrophobicContact CZ-CB 3.55Å |
| 793 | R | 87.3 | Confident | 94.9 | Very high | 76 Ų | 76 | 10.2 Ų | 10.2 | 29% | 0.287 | 5% | 0.053 | S | C | . | . | trans | -50.5 | 151.5 | 169.4 | -64.7 | -170 | -178.8 | -154.4 | 0.3 | 110.7 | H223 L791 H795 N796 L797 D850 | H223-R793 PolarHBondContact O-NH1 2.94Å; L791-R793 PolarHBondContact O-N 3.4Å; R793-H795 VanDerWaalsContact C-N 3.29Å; R793-H795 VanDerWaalsContact CB-CE1 3.5Å; R793-H795 WeakPolarHBondContact CB-CE1 2.93Å; R793-H795 VanDerWaalsContact CD-CE1 3.49Å; R793-H795 WeakPolarHBondContact CD-CE1 3.31Å; R793-H795 PolarHBondContact O-N 2.95Å; R793-N796 WeakPolarHBondContact O-CA 3.47Å; R793-N796 WeakPolarHBondContact O-CB 3.4Å; R793-N796 PolarHBondContact O-N 3.45Å; R793-L797 PolarHBondContact O-N 3.39Å; R793-D850 IonicContact CZ-OD2 3.56Å; R793-D850 IonicContact NE-OD2 3.63Å; R793-D850 PolarHBondContact NE-OD2 3.11Å; R793-D850 IonicContact NH2-OD1 2.92Å; R793-D850 PolarHBondContact NH2-OD1 3.36Å; R793-D850 VanDerWaalsContact NH2-OD1 3.14Å; R793-D850 IonicContact NH2-OD2 3.5Å; R793-D850 PolarHBondContact NH2-OD2 3.2Å | ||
| 794 | A | 87.4 | Confident | 94.9 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 2% | 0.017 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -56.6 | -40.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | L680 V724 N796 L797 | L680-A794 HydrophobicContact CD1-CB 3.98Å; L680-A794 HydrophobicContact CD2-CB 4.22Å; L680-A794 HydrophobicContact CG-CB 4.22Å; V724-A794 HydrophobicContact CG1-CB 4.36Å; A794-N796 PolarHBondContact O-N 2.88Å; A794-L797 WeakPolarHBondContact O-CB 3.22Å; A794-L797 PolarHBondContact O-N 3.33Å |
| 795 | H | 87.4 | Confident | 94.9 | Very high | 13 Ų | 13 | 11.1 Ų | 11.1 | 6% | 0.06 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -68.4 | -14.7 | 176.9 | 60.3 | -100.8 | 0 | 0 | 0 | 113.9 | L671 N672 L680 R793 P798 | L671-H795 HydrophobicContact CB-CB 4.45Å; L671-H795 HydrophobicContact CD1-CB 4.3Å; N672-H795 PolarHBondContact ND2-CE1 3.24Å; N672-H795 PolarHBondContact ND2-ND1 3.29Å; N672-H795 PolarHBondContact OD1-ND1 3.19Å; L680-H795 HydrophobicContact CD1-CB 4.26Å; R793-H795 VanDerWaalsContact C-N 3.29Å; R793-H795 VanDerWaalsContact CB-CE1 3.5Å; R793-H795 WeakPolarHBondContact CB-CE1 2.93Å; R793-H795 VanDerWaalsContact CD-CE1 3.49Å; R793-H795 WeakPolarHBondContact CD-CE1 3.31Å; R793-H795 PolarHBondContact O-N 2.95Å; H795-P798 VanDerWaalsContact O-CD 3.24Å; H795-P798 WeakPolarHBondContact O-CD 3.13Å |
| 796 | N | 92.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 11.1 Ų | 11.1 | 6% | 0.064 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -94.7 | -6.7 | 177.9 | -84.3 | -24.2 | 0 | 0 | 0 | 114 | N655 F792 R793 A794 P798 V799 L800 Q840 | N655-N796 PolarHBondContact ND2-OD1 3.48Å; N655-N796 PolarHBondContact OD1-OD1 3.43Å; F792-N796 HydrophobicContact CB-CB 4.32Å; F792-N796 HydrophobicContact CD2-CB 4.09Å; F792-N796 HydrophobicContact CG-CB 4.39Å; R793-N796 WeakPolarHBondContact O-CA 3.47Å; R793-N796 WeakPolarHBondContact O-CB 3.4Å; R793-N796 PolarHBondContact O-N 3.45Å; A794-N796 PolarHBondContact O-N 2.88Å; N796-P798 VanDerWaalsContact C-N 3.32Å; N796-V799 WeakPolarHBondContact O-CB 3.38Å; N796-V799 PolarHBondContact O-N 3.4Å; N796-L800 PolarHBondContact O-N 2.98Å; N796-Q840 PolarHBondContact ND2-O 3.14Å; N796-Q840 VanDerWaalsContact ND2-O 3.15Å; N796-Q840 PolarHBondContact OD1-O 2.92Å |
| 797 | L | 94.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.7 | -36.3 | 171.4 | -66.4 | 174.9 | 0 | 0 | 0 | 114 | C687 L688 R793 A794 V799 L800 C801 | C687-L797 HydrophobicContact CB-CB 3.94Å; L688-L797 HydrophobicContact CD2-CD1 4.27Å; L688-L797 HydrophobicContact CD2-CD2 4.24Å; L688-L797 HydrophobicContact CG-CD1 4.22Å; R793-L797 PolarHBondContact O-N 3.39Å; A794-L797 WeakPolarHBondContact O-CB 3.22Å; A794-L797 PolarHBondContact O-N 3.33Å; L797-V799 VanDerWaalsContact C-N 3.3Å; L797-V799 PolarHBondContact O-N 3.37Å; L797-L800 PolarHBondContact O-N 3.4Å; L797-C801 VanDerWaalsContact O-CB 3.31Å; L797-C801 WeakPolarHBondContact O-CB 3.49Å; L797-C801 PolarHBondContact O-N 3.19Å |
| 798 | P | 95.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 12.4 Ų | 12.4 | 11% | 0.11 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.3 | -36.3 | 171.2 | -24 | 34.4 | 0 | 0 | 0 | 113.6 | L654 L683 H795 N796 C801 C802 | L654-P798 HydrophobicContact CD2-CB 4Å; L654-P798 HydrophobicContact CD2-CG 4.39Å; L683-P798 HydrophobicContact CD1-CG 4.28Å; L683-P798 HydrophobicContact CD2-CG 3.82Å; L683-P798 HydrophobicContact CG-CG 4.03Å; H795-P798 VanDerWaalsContact O-CD 3.24Å; H795-P798 WeakPolarHBondContact O-CD 3.13Å; N796-P798 VanDerWaalsContact C-N 3.32Å; P798-C801 PolarHBondContact O-N 3.17Å; P798-C802 WeakPolarHBondContact O-CB 3.42Å; P798-C802 PolarHBondContact O-N 3.4Å; P798-C802 PolarHBondContact O-SG 3.35Å; P798-C802 VanDerWaalsContact O-SG 3.34Å |
| 799 | V | 96.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.3 | -51.4 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 110 | L651 L654 N796 L797 C801 C802 G803 F836 F839 | L651-V799 HydrophobicContact CD2-CB 4.35Å; L651-V799 HydrophobicContact CD2-CG2 4.14Å; L654-V799 HydrophobicContact CD2-CG2 3.62Å; N796-V799 WeakPolarHBondContact O-CB 3.38Å; N796-V799 PolarHBondContact O-N 3.4Å; L797-V799 VanDerWaalsContact C-N 3.3Å; L797-V799 PolarHBondContact O-N 3.37Å; V799-C801 PolarHBondContact O-N 3.37Å; V799-C802 PolarHBondContact O-N 2.95Å; V799-G803 PolarHBondContact O-N 2.95Å; V799-F836 HydrophobicContact CG1-CD1 3.96Å; V799-F836 HydrophobicContact CG1-CE1 4.23Å; V799-F836 WeakPolarHBondContact O-CE1 3.22Å; V799-F839 HydrophobicContact CG1-CB 4.02Å; V799-F839 WeakPolarHBondContact CG2-O 3.34Å |
| 800 | L | 96.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 5% | 0.047 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 176.9 | 178.6 | 59.3 | 0 | 0 | 0 | 111.1 | I691 V785 V788 S789 F792 N796 L797 C802 G803 L804 L880 | I691-L800 HydrophobicContact CD1-CD2 3.99Å; I691-L800 HydrophobicContact CD1-CG 4.29Å; V785-L800 HydrophobicContact CG1-CD2 4.48Å; V788-L800 HydrophobicContact CG1-CD1 4.18Å; V788-L800 HydrophobicContact CG1-CD2 4.15Å; S789-L800 VanDerWaalsContact OG-CD2 3.24Å; S789-L800 WeakPolarHBondContact OG-CD2 3.37Å; F792-L800 HydrophobicContact CD2-CB 3.93Å; F792-L800 HydrophobicContact CE2-CB 3.92Å; N796-L800 PolarHBondContact O-N 2.98Å; L797-L800 PolarHBondContact O-N 3.4Å; L800-C802 PolarHBondContact O-N 3.13Å; L800-G803 PolarHBondContact O-N 3.33Å; L800-L804 HydrophobicContact CD1-CD1 4.33Å; L800-L804 HydrophobicContact CD1-CG 4.26Å; L800-L804 HydrophobicContact CG-CD1 4.26Å; L800-L804 WeakPolarHBondContact O-CG 3.42Å; L800-L804 PolarHBondContact O-N 3.5Å; L800-L880 HydrophobicContact CD1-CD1 3.5Å |
| 801 | C | 96.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | -178.6 | -171.4 | 0 | 0 | 0 | 0 | 112.7 | C687 L690 I691 L797 P798 V799 G803 L804 L805 | C687-C801 HydrophobicContact CB-CB 4.33Å; L690-C801 WeakPolarHBondContact CD2-SG 3.25Å; L690-C801 WeakPolarHBondContact CG-SG 3.48Å; I691-C801 HydrophobicContact CG1-CB 4.29Å; L797-C801 VanDerWaalsContact O-CB 3.31Å; L797-C801 WeakPolarHBondContact O-CB 3.49Å; L797-C801 PolarHBondContact O-N 3.19Å; P798-C801 PolarHBondContact O-N 3.17Å; V799-C801 PolarHBondContact O-N 3.37Å; C801-G803 VanDerWaalsContact C-N 3.33Å; C801-G803 PolarHBondContact O-N 2.9Å; C801-L804 PolarHBondContact O-N 3.34Å; C801-L805 WeakPolarHBondContact O-CB 3.43Å; C801-L805 PolarHBondContact O-N 3.02Å |
| 802 | C | 96.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 18.3 Ų | 18.3 | 21% | 0.209 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 175.8 | -74 | 0 | 0 | 0 | 0 | 111.7 | L651 P798 V799 L800 L805 I806 | L651-C802 HydrophobicContact CD1-CB 3.87Å; L651-C802 HydrophobicContact CD2-CB 4.02Å; L651-C802 HydrophobicContact CG-CB 4.27Å; P798-C802 WeakPolarHBondContact O-CB 3.42Å; P798-C802 PolarHBondContact O-N 3.4Å; P798-C802 PolarHBondContact O-SG 3.35Å; P798-C802 VanDerWaalsContact O-SG 3.34Å; V799-C802 PolarHBondContact O-N 2.95Å; L800-C802 PolarHBondContact O-N 3.13Å; C802-L805 PolarHBondContact O-N 3.28Å; C802-I806 WeakPolarHBondContact O-CB 3.26Å; C802-I806 VanDerWaalsContact O-CG1 3.28Å; C802-I806 WeakPolarHBondContact O-CG1 3.35Å; C802-I806 PolarHBondContact O-N 2.78Å |
| 803 | G | 96.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V799 L800 C801 L805 I806 Q807 | V799-G803 PolarHBondContact O-N 2.95Å; L800-G803 PolarHBondContact O-N 3.33Å; C801-G803 VanDerWaalsContact C-N 3.33Å; C801-G803 PolarHBondContact O-N 2.9Å; G803-L805 VanDerWaalsContact C-N 3.32Å; G803-L805 PolarHBondContact O-N 2.97Å; G803-I806 PolarHBondContact O-N 3.02Å; G803-Q807 WeakPolarHBondContact O-CB 3.18Å; G803-Q807 VanDerWaalsContact O-CG 3.27Å; G803-Q807 WeakPolarHBondContact O-CG 3.45Å; G803-Q807 PolarHBondContact O-N 3.29Å |
| 804 | L | 97.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.8 | -62.1 | 176 | 0 | 0 | 0 | 112.3 | I691 L694 V695 Y781 V785 L800 C801 T808 | I691-L804 HydrophobicContact CB-CD1 4.37Å; I691-L804 HydrophobicContact CG1-CD1 3.97Å; I691-L804 HydrophobicContact CG2-CD1 4.02Å; L694-L804 HydrophobicContact CD1-CB 3.88Å; V695-L804 HydrophobicContact CG2-CD1 4.09Å; Y781-L804 HydrophobicContact CE1-CD2 4.29Å; Y781-L804 WeakPolarHBondContact OH-CD2 3.31Å; V785-L804 HydrophobicContact CG1-CD1 3.73Å; V785-L804 HydrophobicContact CG1-CD2 4.41Å; V785-L804 HydrophobicContact CG2-CD2 3.87Å; L800-L804 HydrophobicContact CD1-CD1 4.33Å; L800-L804 HydrophobicContact CD1-CG 4.26Å; L800-L804 HydrophobicContact CG-CD1 4.26Å; L800-L804 WeakPolarHBondContact O-CG 3.42Å; L800-L804 PolarHBondContact O-N 3.5Å; C801-L804 PolarHBondContact O-N 3.34Å; L804-T808 WeakPolarHBondContact O-CB 3.22Å; L804-T808 PolarHBondContact O-N 3.25Å; L804-T808 PolarHBondContact O-OG1 2.88Å |
| 805 | L | 96.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 15.6 Ų | 15.6 | 20% | 0.204 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.2 | -48.5 | 177 | -178.9 | 60.5 | 0 | 0 | 0 | 110.9 | F643 L694 C801 C802 G803 Q807 T808 L809 | F643-L805 HydrophobicContact CE1-CD2 3.64Å; F643-L805 HydrophobicContact CE1-CG 4.14Å; F643-L805 HydrophobicContact CZ-CD2 3.63Å; L694-L805 HydrophobicContact CD1-CB 4.13Å; L694-L805 HydrophobicContact CD2-CD1 4.09Å; C801-L805 WeakPolarHBondContact O-CB 3.43Å; C801-L805 PolarHBondContact O-N 3.02Å; C802-L805 PolarHBondContact O-N 3.28Å; G803-L805 VanDerWaalsContact C-N 3.32Å; G803-L805 PolarHBondContact O-N 2.97Å; L805-Q807 PolarHBondContact O-N 3.49Å; L805-T808 WeakPolarHBondContact O-CB 3.28Å; L805-T808 PolarHBondContact O-N 3.49Å; L805-L809 HydrophobicContact CD1-CD1 4.21Å; L805-L809 HydrophobicContact CD1-CG 4.22Å; L805-L809 HydrophobicContact CG-CD1 4.09Å; L805-L809 HydrophobicContact CG-CG 4.47Å; L805-L809 WeakPolarHBondContact O-CG 3.39Å; L805-L809 PolarHBondContact O-N 3.35Å |
| 806 | I | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 177.7 | -69.5 | 163.2 | 0 | 0 | 0 | 110.6 | T644 C647 C802 G803 T808 L809 M810 F832 F836 W881 | T644-I806 HydrophobicContact CG2-CD1 4.01Å; T644-I806 HydrophobicContact CG2-CG1 4.13Å; T644-I806 HydrophobicContact CG2-CG2 3.87Å; C647-I806 HydrophobicContact CB-CD1 3.91Å; C802-I806 WeakPolarHBondContact O-CB 3.26Å; C802-I806 VanDerWaalsContact O-CG1 3.28Å; C802-I806 WeakPolarHBondContact O-CG1 3.35Å; C802-I806 PolarHBondContact O-N 2.78Å; G803-I806 PolarHBondContact O-N 3.02Å; I806-T808 VanDerWaalsContact C-N 3.28Å; I806-T808 PolarHBondContact O-N 3.47Å; I806-L809 PolarHBondContact O-N 3.38Å; I806-M810 HydrophobicContact CG2-CG 3.92Å; I806-M810 VanDerWaalsContact O-CB 3.27Å; I806-M810 WeakPolarHBondContact O-CB 3.35Å; I806-M810 VanDerWaalsContact O-CG 3.23Å; I806-M810 WeakPolarHBondContact O-CG 3.41Å; I806-M810 PolarHBondContact O-N 2.86Å; I806-F832 HydrophobicContact CG2-CD1 4.31Å; I806-F832 HydrophobicContact CG2-CE1 3.68Å; I806-F832 HydrophobicContact CG2-CZ 4.1Å; I806-F836 HydrophobicContact CD1-CE2 4.39Å; I806-F836 HydrophobicContact CD1-CZ 3.99Å; I806-W881 HydrophobicContact CG2-CH2 3.98Å; I806-W881 HydrophobicContact CG2-CZ2 4.24Å |
| 807 | Q | 95.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.6 | -44.9 | 174.6 | -75.4 | 176.4 | 4.1 | 0 | 0 | 111.5 | Y781 G803 L805 A811 W881 H884 | Y781-Q807 PolarHBondContact OH-OE1 3.45Å; G803-Q807 WeakPolarHBondContact O-CB 3.18Å; G803-Q807 VanDerWaalsContact O-CG 3.27Å; G803-Q807 WeakPolarHBondContact O-CG 3.45Å; G803-Q807 PolarHBondContact O-N 3.29Å; L805-Q807 PolarHBondContact O-N 3.49Å; Q807-A811 WeakPolarHBondContact O-CB 3.45Å; Q807-A811 PolarHBondContact O-N 3.43Å; Q807-W881 HydrophobicContact CG-CD2 3.98Å; Q807-W881 HydrophobicContact CG-CE3 3.98Å; Q807-W881 HydrophobicContact CG-CH2 3.57Å; Q807-W881 HydrophobicContact CG-CZ2 3.53Å; Q807-W881 HydrophobicContact CG-CZ3 3.83Å; Q807-W881 VanDerWaalsContact NE2-CD2 3.32Å; Q807-H884 PolarHBondContact OE1-CD2 3.36Å |
| 808 | T | 94 | Very high | 93.4 | Very high | 34 Ų | 34 | 24.2 Ų | 24.2 | 21% | 0.209 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 179.1 | -58.1 | 0 | 0 | 0 | 0 | 112 | L694 L804 L805 I806 Q812 | L694-T808 HydrophobicContact CD2-CG2 4.45Å; L804-T808 WeakPolarHBondContact O-CB 3.22Å; L804-T808 PolarHBondContact O-N 3.25Å; L804-T808 PolarHBondContact O-OG1 2.88Å; L805-T808 WeakPolarHBondContact O-CB 3.28Å; L805-T808 PolarHBondContact O-N 3.49Å; I806-T808 VanDerWaalsContact C-N 3.28Å; I806-T808 PolarHBondContact O-N 3.47Å; T808-Q812 WeakPolarHBondContact O-CB 3.35Å; T808-Q812 VanDerWaalsContact O-CG 3.28Å; T808-Q812 WeakPolarHBondContact O-CG 3.48Å; T808-Q812 PolarHBondContact O-N 3.22Å; T808-Q812 VanDerWaalsContact O-N 3.08Å |
| 809 | L | 94.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 16% | 0.157 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.8 | -46 | -178.9 | -66.3 | 176.1 | 0 | 0 | 0 | 111.6 | T640 F643 L805 I806 Q812 F813 | T640-L809 HydrophobicContact CG2-CB 3.8Å; F643-L809 HydrophobicContact CD1-CD1 3.53Å; F643-L809 HydrophobicContact CE1-CD1 3.62Å; L805-L809 HydrophobicContact CD1-CD1 4.21Å; L805-L809 HydrophobicContact CD1-CG 4.22Å; L805-L809 HydrophobicContact CG-CD1 4.09Å; L805-L809 HydrophobicContact CG-CG 4.47Å; L805-L809 WeakPolarHBondContact O-CG 3.39Å; L805-L809 PolarHBondContact O-N 3.35Å; I806-L809 PolarHBondContact O-N 3.38Å; L809-Q812 PolarHBondContact O-N 2.87Å; L809-F813 HydrophobicContact CB-CD2 4.46Å; L809-F813 HydrophobicContact CD2-CD2 3.97Å; L809-F813 HydrophobicContact CD2-CE2 3.73Å; L809-F813 WeakPolarHBondContact O-CB 3.28Å; L809-F813 WeakPolarHBondContact O-CD2 3.47Å; L809-F813 PolarHBondContact O-N 3.41Å |
| 810 | M | 94.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -62.7 | -44.9 | 178.3 | -70.6 | -68.2 | 164.6 | 0 | 0 | 111.5 | T640 T644 I806 Q812 I814 W815 F832 | T640-M810 HydrophobicContact CG2-CE 3.79Å; T640-M810 HydrophobicContact CG2-SD 4.08Å; T644-M810 HydrophobicContact CG2-CE 3.86Å; T644-M810 WeakPolarHBondContact OG1-CE 3.43Å; I806-M810 HydrophobicContact CG2-CG 3.92Å; I806-M810 VanDerWaalsContact O-CB 3.27Å; I806-M810 WeakPolarHBondContact O-CB 3.35Å; I806-M810 VanDerWaalsContact O-CG 3.23Å; I806-M810 WeakPolarHBondContact O-CG 3.41Å; I806-M810 PolarHBondContact O-N 2.86Å; M810-Q812 PolarHBondContact O-N 3.32Å; M810-I814 CarbonylContact O-C 3.54Å; M810-I814 WeakPolarHBondContact O-CA 3.43Å; M810-I814 VanDerWaalsContact O-CB 3.31Å; M810-I814 WeakPolarHBondContact O-CB 3.48Å; M810-I814 PolarHBondContact O-N 2.83Å; M810-I814 VanDerWaalsContact O-N 3.07Å; M810-I814 HydrophobicContact SD-CB 4.08Å; M810-I814 HydrophobicContact SD-CG1 3.73Å; M810-I814 HydrophobicContact SD-CG2 4.27Å; M810-W815 HydrophobicContact CB-CD2 4.23Å; M810-W815 HydrophobicContact CB-CE3 4.23Å; M810-W815 HydrophobicContact CB-CH2 3.71Å; M810-W815 HydrophobicContact CB-CZ2 3.78Å; M810-W815 HydrophobicContact CB-CZ3 3.94Å; M810-W815 HydrophobicContact CG-CZ2 4.43Å; M810-W815 PolarHBondContact O-N 2.82Å; M810-F832 HydrophobicContact CE-CZ 4.28Å |
| 811 | A | 91.9 | Very high | 92 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -63.8 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q807 W815 K816 Y888 | Q807-A811 WeakPolarHBondContact O-CB 3.45Å; Q807-A811 PolarHBondContact O-N 3.43Å; A811-W815 HydrophobicContact CB-CE3 3.99Å; A811-W815 HydrophobicContact CB-CZ3 4.11Å; A811-K816 WeakPolarHBondContact O-CB 3.38Å; A811-K816 PolarHBondContact O-N 3.43Å; A811-Y888 HydrophobicContact CB-CD2 4Å; A811-Y888 HydrophobicContact CB-CE2 4.05Å |
| 812 | Q | 90.1 | Very high | 91.7 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -79.2 | -43.9 | -175 | -71.4 | 179.7 | 12.6 | 0 | 0 | 113.4 | T808 L809 M810 | T808-Q812 WeakPolarHBondContact O-CB 3.35Å; T808-Q812 VanDerWaalsContact O-CG 3.28Å; T808-Q812 WeakPolarHBondContact O-CG 3.48Å; T808-Q812 PolarHBondContact O-N 3.22Å; T808-Q812 VanDerWaalsContact O-N 3.08Å; L809-Q812 PolarHBondContact O-N 2.87Å; M810-Q812 PolarHBondContact O-N 3.32Å |
| 813 | F | 92.1 | Very high | 91.4 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -105.9 | -19.4 | -168.1 | -58.3 | -63.9 | 0 | 0 | 0 | 114.1 | L636 A637 L809 | L636-F813 HydrophobicContact CB-CD1 3.94Å; L636-F813 HydrophobicContact CB-CD2 4.46Å; L636-F813 HydrophobicContact CB-CE1 3.8Å; L636-F813 HydrophobicContact CB-CE2 4.34Å; L636-F813 HydrophobicContact CB-CG 4.28Å; L636-F813 HydrophobicContact CB-CZ 4.02Å; L636-F813 HydrophobicContact CD1-CE1 3.82Å; L636-F813 HydrophobicContact CD1-CZ 3.76Å; L636-F813 HydrophobicContact CG-CE1 4.44Å; L636-F813 HydrophobicContact CG-CZ 4.39Å; A637-F813 HydrophobicContact CB-CB 4.2Å; L809-F813 HydrophobicContact CB-CD2 4.46Å; L809-F813 HydrophobicContact CD2-CD2 3.97Å; L809-F813 HydrophobicContact CD2-CE2 3.73Å; L809-F813 WeakPolarHBondContact O-CB 3.28Å; L809-F813 WeakPolarHBondContact O-CD2 3.47Å; L809-F813 PolarHBondContact O-N 3.41Å |
| 814 | I | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -110.5 | -75 | -175.2 | -56.4 | -59.1 | 0 | 0 | 0 | 110.5 | V592 V596 T640 P641 M810 K816 K817 L818 Y820 | V592-I814 HydrophobicContact CG1-CD1 4.15Å; V592-I814 HydrophobicContact CG1-CG1 4.4Å; V592-I814 HydrophobicContact CG1-CG2 3.48Å; V592-I814 VanDerWaalsContact CG1-CG2 3.48Å; V596-I814 HydrophobicContact CG2-CD1 3.5Å; V596-I814 VanDerWaalsContact CG2-CD1 3.5Å; T640-I814 HydrophobicContact CG2-CD1 4.27Å; T640-I814 HydrophobicContact CG2-CG1 3.78Å; P641-I814 HydrophobicContact CG-CD1 4.19Å; M810-I814 CarbonylContact O-C 3.54Å; M810-I814 WeakPolarHBondContact O-CA 3.43Å; M810-I814 VanDerWaalsContact O-CB 3.31Å; M810-I814 WeakPolarHBondContact O-CB 3.48Å; M810-I814 PolarHBondContact O-N 2.83Å; M810-I814 VanDerWaalsContact O-N 3.07Å; M810-I814 HydrophobicContact SD-CB 4.08Å; M810-I814 HydrophobicContact SD-CG1 3.73Å; M810-I814 HydrophobicContact SD-CG2 4.27Å; I814-K816 PolarHBondContact O-N 3.4Å; I814-K817 PolarHBondContact O-N 2.93Å; I814-K817 VanDerWaalsContact O-N 3.1Å; I814-L818 HydrophobicContact CG2-CD1 3.85Å; I814-L818 WeakPolarHBondContact O-CB 3.48Å; I814-L818 PolarHBondContact O-N 3Å; I814-Y820 HydrophobicContact CG2-CE2 3.97Å |
| 815 | W | 91 | Very high | 91 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -63.2 | -40.5 | -169.5 | -59 | -38 | 0 | 0 | 0 | 113.3 | M810 A811 K817 H819 Y820 H829 W881 H884 Y888 | M810-W815 HydrophobicContact CB-CD2 4.23Å; M810-W815 HydrophobicContact CB-CE3 4.23Å; M810-W815 HydrophobicContact CB-CH2 3.71Å; M810-W815 HydrophobicContact CB-CZ2 3.78Å; M810-W815 HydrophobicContact CB-CZ3 3.94Å; M810-W815 HydrophobicContact CG-CZ2 4.43Å; M810-W815 PolarHBondContact O-N 2.82Å; A811-W815 HydrophobicContact CB-CE3 3.99Å; A811-W815 HydrophobicContact CB-CZ3 4.11Å; W815-K817 VanDerWaalsContact C-N 3.34Å; W815-K817 PolarHBondContact O-N 3.37Å; W815-H819 PolarHBondContact O-N 2.94Å; W815-Y820 AromaticContact CD1-CD2 3.9Å; W815-H829 AromaticContact CD2-CE1 3.87Å; W815-H829 AromaticContact CE2-CE1 3.91Å; W815-H829 AromaticContact CE3-CE1 3.43Å; W815-H829 VanDerWaalsContact CE3-CE1 3.43Å; W815-H829 AromaticContact CE3-NE2 3.92Å; W815-H829 AromaticContact CH2-CD2 3.97Å; W815-H829 AromaticContact CH2-CE1 3.22Å; W815-H829 WeakPolarHBondContact CH2-CE1 3.47Å; W815-H829 AromaticContact CH2-ND1 3.74Å; W815-H829 AromaticContact CH2-NE2 3.38Å; W815-H829 WeakPolarHBondContact CH2-NE2 3.3Å; W815-H829 AromaticContact CZ2-CE1 3.61Å; W815-H829 AromaticContact CZ2-ND1 3.78Å; W815-H829 AromaticContact CZ3-CE1 3.13Å; W815-H829 WeakPolarHBondContact CZ3-CE1 3.4Å; W815-H829 AromaticContact CZ3-NE2 3.22Å; W815-H829 WeakPolarHBondContact CZ3-NE2 3.43Å; W815-W881 HydrophobicContact CH2-CH2 4.48Å; W815-W881 AromaticContact CH2-CZ3 3.74Å; W815-W881 HydrophobicContact CH2-CZ3 3.74Å; W815-W881 HydrophobicContact CZ2-CZ3 4.27Å; W815-H884 AromaticContact CZ3-CE1 3.81Å; W815-Y888 HydrophobicContact CB-CE1 4.25Å; W815-Y888 HydrophobicContact CB-CE2 4.23Å; W815-Y888 WeakPolarHBondContact CB-OH 3.42Å; W815-Y888 HydrophobicContact CE3-CD2 4.35Å; W815-Y888 HydrophobicContact CE3-CE2 4.2Å; W815-Y888 PolarHBondContact O-OH 2.74Å |
| 816 | K | 85.3 | Confident | 91 | Very high | 114 Ų | 114 | 32 Ų | 32 | 50% | 0.496 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67 | -34.5 | 176.9 | 179.7 | 168.5 | -170.9 | -168.2 | 0 | 112.7 | A811 I814 Y888 E892 | A811-K816 WeakPolarHBondContact O-CB 3.38Å; A811-K816 PolarHBondContact O-N 3.43Å; I814-K816 PolarHBondContact O-N 3.4Å; K816-Y888 PolarHBondContact N-OH 3.36Å; K816-E892 WeakPolarHBondContact CG-OE1 3.29Å |
| 817 | K | 85.5 | Confident | 91 | Very high | 57 Ų | 57 | 33.4 Ų | 33.4 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -87.9 | -37.6 | -173.9 | -63.5 | -67.1 | -170.5 | 168 | 0 | 112 | K599 E633 I814 W815 H819 | K599-K817 PolarHBondContact NZ-O 3.29Å; E633-K817 IonicContact OE1-NZ 2.66Å; E633-K817 WeakPolarHBondContact OE2-CE 3.31Å; E633-K817 IonicContact OE2-NZ 3.82Å; E633-K817 PolarHBondContact OE2-NZ 2.89Å; I814-K817 PolarHBondContact O-N 2.93Å; I814-K817 VanDerWaalsContact O-N 3.1Å; W815-K817 VanDerWaalsContact C-N 3.34Å; W815-K817 PolarHBondContact O-N 3.37Å; K817-H819 VanDerWaalsContact C-N 3.31Å; K817-H819 PolarHBondContact O-CD2 2.99Å; K817-H819 VanDerWaalsContact O-CD2 3.31Å |
| 818 | L | 85.1 | Confident | 91 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 18% | 0.183 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -84.5 | -6.6 | -177.7 | -70.7 | 160.9 | 0 | 0 | 0 | 113.1 | D595 V596 K599 I814 Y820 | D595-L818 HydrophobicContact CB-CD2 4.46Å; V596-L818 HydrophobicContact CG2-CD1 3.8Å; K599-L818 HydrophobicContact CB-CD2 4.06Å; K599-L818 HydrophobicContact CD-CD2 3.78Å; I814-L818 HydrophobicContact CG2-CD1 3.85Å; I814-L818 WeakPolarHBondContact O-CB 3.48Å; I814-L818 PolarHBondContact O-N 3Å; L818-Y820 HydrophobicContact CB-CD2 3.91Å; L818-Y820 HydrophobicContact CB-CE1 4.31Å; L818-Y820 HydrophobicContact CB-CE2 3.62Å; L818-Y820 HydrophobicContact CB-CG 4.43Å; L818-Y820 HydrophobicContact CD1-CE2 3.59Å; L818-Y820 WeakPolarHBondContact CD1-OH 3.29Å; L818-Y820 HydrophobicContact CG-CE2 4.24Å; L818-Y820 PolarHBondContact O-N 3Å |
| 819 | H | 83.3 | Confident | 91.2 | Very high | 129 Ų | 129 | 31.9 Ų | 31.9 | 60% | 0.597 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.9 | 177.6 | -60.9 | -76.9 | 0 | 0 | 0 | 113.7 | W815 K817 | W815-H819 PolarHBondContact O-N 2.94Å; K817-H819 VanDerWaalsContact C-N 3.31Å; K817-H819 PolarHBondContact O-CD2 2.99Å; K817-H819 VanDerWaalsContact O-CD2 3.31Å |
| 820 | Y | 88.4 | Confident | 91.3 | Very high | 15 Ų | 15 | 31 Ų | 31 | 6% | 0.059 | 15% | 0.153 | C | C | . | . | trans | -57.5 | 143.4 | 172.6 | -65.4 | -57.8 | 0 | 0 | 0 | 111.3 | L553 D595 I814 W815 L818 M828 R895 | L553-Y820 HydrophobicContact CD2-CD1 3.82Å; L553-Y820 HydrophobicContact CD2-CE1 3.25Å; D595-Y820 WeakPolarHBondContact CB-OH 3.43Å; D595-Y820 PolarHBondContact OD2-OH 2.87Å; I814-Y820 HydrophobicContact CG2-CE2 3.97Å; W815-Y820 AromaticContact CD1-CD2 3.9Å; L818-Y820 HydrophobicContact CB-CD2 3.91Å; L818-Y820 HydrophobicContact CB-CE1 4.31Å; L818-Y820 HydrophobicContact CB-CE2 3.62Å; L818-Y820 HydrophobicContact CB-CG 4.43Å; L818-Y820 HydrophobicContact CD1-CE2 3.59Å; L818-Y820 WeakPolarHBondContact CD1-OH 3.29Å; L818-Y820 HydrophobicContact CG-CE2 4.24Å; L818-Y820 PolarHBondContact O-N 3Å; Y820-M828 HydrophobicContact CD2-CE 3.72Å; Y820-M828 HydrophobicContact CE2-CE 4.14Å; Y820-M828 HydrophobicContact CG-CE 3.98Å; Y820-R895 PolarHBondContact O-NH2 2.74Å; Y820-R895 VanDerWaalsContact O-NH2 3.11Å | ||
| 821 | D | 87.9 | Confident | 91.4 | Very high | 77 Ų | 77 | 30.9 Ų | 30.9 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | trans | -70.1 | 174.6 | -178.9 | 75.2 | 25.5 | 0 | 0 | 0 | 112.1 | A823 Q824 T825 | D821-A823 VanDerWaalsContact C-N 3.3Å; D821-A823 PolarHBondContact O-N 2.67Å; D821-A823 WeakPolarHBondContact OD1-CA 3.33Å; D821-A823 WeakPolarHBondContact OD1-CB 3.43Å; D821-A823 PolarHBondContact OD1-N 2.96Å; D821-Q824 VanDerWaalsContact N-OE1 3.09Å; D821-Q824 WeakPolarHBondContact OD1-CB 3.43Å; D821-Q824 VanDerWaalsContact OD1-CG 3.31Å; D821-Q824 WeakPolarHBondContact OD1-CG 3.28Å; D821-Q824 PolarHBondContact OD1-N 3.14Å; D821-T825 VanDerWaalsContact O-CB 3.26Å; D821-T825 WeakPolarHBondContact O-CB 3.39Å; D821-T825 PolarHBondContact O-N 2.95Å; D821-T825 PolarHBondContact O-OG1 3.41Å | ||
| 822 | A | 88.9 | Confident | 91.7 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | T826 H902 | A822-T826 VanDerWaalsContact O-CB 3.26Å; A822-T826 WeakPolarHBondContact O-CB 3.4Å; A822-T826 PolarHBondContact O-N 2.66Å; A822-T826 PolarHBondContact O-OG1 3.18Å; A822-H902 HydrophobicContact CB-CB 3.78Å |
| 823 | A | 90.6 | Very high | 92 | Very high | 27 Ų | 27 | 26.9 Ų | 26.9 | 22% | 0.223 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.2 | -52.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D821 T825 T826 I827 | D821-A823 VanDerWaalsContact C-N 3.3Å; D821-A823 PolarHBondContact O-N 2.67Å; D821-A823 WeakPolarHBondContact OD1-CA 3.33Å; D821-A823 WeakPolarHBondContact OD1-CB 3.43Å; D821-A823 PolarHBondContact OD1-N 2.96Å; A823-T825 VanDerWaalsContact C-N 3.33Å; A823-T825 PolarHBondContact O-N 3.23Å; A823-T826 WeakPolarHBondContact O-CB 3.47Å; A823-T826 PolarHBondContact O-N 2.91Å; A823-I827 WeakPolarHBondContact O-CG1 3.37Å; A823-I827 PolarHBondContact O-N 3.46Å |
| 824 | Q | 93.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.4 | -49 | 174.7 | -67.2 | 171.3 | -26.9 | 0 | 0 | 111 | D554 L557 D821 T826 I827 M828 | D554-Q824 WeakPolarHBondContact OD1-CG 3.19Å; D554-Q824 PolarHBondContact OD1-NE2 3.22Å; L557-Q824 HydrophobicContact CD1-CB 4.13Å; L557-Q824 HydrophobicContact CD1-CG 4.15Å; D821-Q824 VanDerWaalsContact N-OE1 3.09Å; D821-Q824 WeakPolarHBondContact OD1-CB 3.43Å; D821-Q824 VanDerWaalsContact OD1-CG 3.31Å; D821-Q824 WeakPolarHBondContact OD1-CG 3.28Å; D821-Q824 PolarHBondContact OD1-N 3.14Å; Q824-T826 VanDerWaalsContact C-N 3.28Å; Q824-T826 PolarHBondContact O-N 3.27Å; Q824-I827 PolarHBondContact O-N 3.4Å; Q824-M828 HydrophobicContact CB-CE 4.34Å; Q824-M828 WeakPolarHBondContact O-CE 3.49Å; Q824-M828 WeakPolarHBondContact O-CG 3.49Å; Q824-M828 PolarHBondContact O-N 3.36Å |
| 825 | T | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 177.1 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | D821 A823 H829 L885 Y888 L889 | D821-T825 VanDerWaalsContact O-CB 3.26Å; D821-T825 WeakPolarHBondContact O-CB 3.39Å; D821-T825 PolarHBondContact O-N 2.95Å; D821-T825 PolarHBondContact O-OG1 3.41Å; A823-T825 VanDerWaalsContact C-N 3.33Å; A823-T825 PolarHBondContact O-N 3.23Å; T825-H829 VanDerWaalsContact CG2-CE1 3.49Å; T825-H829 WeakPolarHBondContact CG2-CE1 3.43Å; T825-H829 PolarHBondContact O-N 2.46Å; T825-H829 VanDerWaalsContact O-N 3.07Å; T825-H829 PolarHBondContact O-ND1 3.06Å; T825-L885 HydrophobicContact CG2-CD1 4.01Å; T825-Y888 HydrophobicContact CG2-CD1 3.88Å; T825-Y888 HydrophobicContact CG2-CE1 3.77Å; T825-L889 HydrophobicContact CG2-CD2 4.48Å |
| 826 | T | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.6 | -45.5 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | A822 A823 Q824 M828 H829 Y830 L885 G903 C906 L907 L910 | A822-T826 VanDerWaalsContact O-CB 3.26Å; A822-T826 WeakPolarHBondContact O-CB 3.4Å; A822-T826 PolarHBondContact O-N 2.66Å; A822-T826 PolarHBondContact O-OG1 3.18Å; A823-T826 WeakPolarHBondContact O-CB 3.47Å; A823-T826 PolarHBondContact O-N 2.91Å; Q824-T826 VanDerWaalsContact C-N 3.28Å; Q824-T826 PolarHBondContact O-N 3.27Å; T826-M828 PolarHBondContact O-N 3.02Å; T826-H829 PolarHBondContact O-N 3.27Å; T826-Y830 WeakPolarHBondContact O-CB 3.24Å; T826-Y830 PolarHBondContact O-N 3.37Å; T826-L885 HydrophobicContact CG2-CD2 3.77Å; T826-G903 WeakPolarHBondContact OG1-CA 3.09Å; T826-C906 HydrophobicContact CG2-CB 3.83Å; T826-L907 HydrophobicContact CG2-CB 3.98Å; T826-L910 HydrophobicContact CG2-CD1 4.11Å |
| 827 | I | 96.4 | Very high | 93.1 | Very high | 30 Ų | 30 | 20.7 Ų | 20.7 | 15% | 0.154 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 178.7 | -59.7 | 167.9 | 0 | 0 | 0 | 110.5 | L557 A823 Q824 Y830 W831 L910 | L557-I827 HydrophobicContact CB-CD1 4.04Å; L557-I827 HydrophobicContact CB-CG2 4.05Å; L557-I827 HydrophobicContact CD1-CB 4.43Å; L557-I827 HydrophobicContact CD1-CD1 4.5Å; L557-I827 HydrophobicContact CD2-CB 4.19Å; L557-I827 HydrophobicContact CD2-CG2 3.61Å; L557-I827 HydrophobicContact CG-CG2 4.28Å; A823-I827 WeakPolarHBondContact O-CG1 3.37Å; A823-I827 PolarHBondContact O-N 3.46Å; Q824-I827 PolarHBondContact O-N 3.4Å; I827-Y830 WeakPolarHBondContact O-CB 3.46Å; I827-Y830 PolarHBondContact O-N 3.39Å; I827-W831 HydrophobicContact CG2-CD2 4.47Å; I827-W831 HydrophobicContact CG2-CG 4.49Å; I827-W831 HydrophobicContact CG2-CZ2 4.36Å; I827-W831 PolarHBondContact O-N 3.06Å; I827-L910 HydrophobicContact CB-CD1 4.39Å; I827-L910 HydrophobicContact CG1-CD1 3.93Å; I827-L910 HydrophobicContact CG1-CD2 4.15Å; I827-L910 HydrophobicContact CG1-CG 4.48Å |
| 828 | M | 96.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.5 | -48.3 | 176.6 | -70.8 | -171.6 | -81.8 | 0 | 0 | 111.9 | L557 L588 V592 Y820 Q824 T826 Y830 W831 F832 | L557-M828 HydrophobicContact CD2-CG 4.23Å; L588-M828 HydrophobicContact CD1-CG 3.93Å; L588-M828 HydrophobicContact CD1-SD 4.05Å; L588-M828 HydrophobicContact CD2-CB 4.21Å; L588-M828 HydrophobicContact CD2-CG 3.82Å; L588-M828 HydrophobicContact CG-CG 4.47Å; V592-M828 HydrophobicContact CG2-SD 4.28Å; Y820-M828 HydrophobicContact CD2-CE 3.72Å; Y820-M828 HydrophobicContact CE2-CE 4.14Å; Y820-M828 HydrophobicContact CG-CE 3.98Å; Q824-M828 HydrophobicContact CB-CE 4.34Å; Q824-M828 WeakPolarHBondContact O-CE 3.49Å; Q824-M828 WeakPolarHBondContact O-CG 3.49Å; Q824-M828 PolarHBondContact O-N 3.36Å; T826-M828 PolarHBondContact O-N 3.02Å; M828-Y830 VanDerWaalsContact C-N 3.26Å; M828-Y830 PolarHBondContact O-N 3.4Å; M828-W831 PolarHBondContact O-N 3Å; M828-F832 VanDerWaalsContact O-CD2 3.28Å; M828-F832 WeakPolarHBondContact O-CD2 3.13Å; M828-F832 PolarHBondContact O-N 3.47Å |
| 829 | H | 96.9 | Very high | 94 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 176.5 | -79.4 | 76.4 | 0 | 0 | 0 | 112.1 | W815 T825 T826 G833 W881 H884 L885 | W815-H829 AromaticContact CD2-CE1 3.87Å; W815-H829 AromaticContact CE2-CE1 3.91Å; W815-H829 AromaticContact CE3-CE1 3.43Å; W815-H829 VanDerWaalsContact CE3-CE1 3.43Å; W815-H829 AromaticContact CE3-NE2 3.92Å; W815-H829 AromaticContact CH2-CD2 3.97Å; W815-H829 AromaticContact CH2-CE1 3.22Å; W815-H829 WeakPolarHBondContact CH2-CE1 3.47Å; W815-H829 AromaticContact CH2-ND1 3.74Å; W815-H829 AromaticContact CH2-NE2 3.38Å; W815-H829 WeakPolarHBondContact CH2-NE2 3.3Å; W815-H829 AromaticContact CZ2-CE1 3.61Å; W815-H829 AromaticContact CZ2-ND1 3.78Å; W815-H829 AromaticContact CZ3-CE1 3.13Å; W815-H829 WeakPolarHBondContact CZ3-CE1 3.4Å; W815-H829 AromaticContact CZ3-NE2 3.22Å; W815-H829 WeakPolarHBondContact CZ3-NE2 3.43Å; T825-H829 VanDerWaalsContact CG2-CE1 3.49Å; T825-H829 WeakPolarHBondContact CG2-CE1 3.43Å; T825-H829 PolarHBondContact O-N 2.46Å; T825-H829 VanDerWaalsContact O-N 3.07Å; T825-H829 PolarHBondContact O-ND1 3.06Å; T826-H829 PolarHBondContact O-N 3.27Å; H829-G833 PolarHBondContact O-N 3.46Å; H829-W881 HydrophobicContact CB-CE3 4.38Å; H829-W881 AromaticContact CD2-CE3 3.95Å; H829-H884 AromaticContact CD2-ND1 3.6Å; H829-H884 AromaticContact NE2-CE1 3.73Å; H829-H884 AromaticContact NE2-ND1 3.07Å; H829-H884 PolarHBondContact NE2-ND1 2.75Å; H829-L885 HydrophobicContact CB-CB 4.18Å; H829-L885 HydrophobicContact CB-CD1 4.25Å; H829-L885 HydrophobicContact CB-CD2 4.46Å |
| 830 | Y | 96.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 11.2 Ų | 11.2 | 5% | 0.051 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.7 | -48.9 | 177.2 | 177.5 | -92.4 | 0 | 0 | 0 | 111.8 | W581 T826 I827 M828 F832 G833 Q834 L907 L910 R911 | W581-Y830 HydrophobicContact CH2-CD1 4.48Å; W581-Y830 AromaticContact CH2-CE1 3.8Å; W581-Y830 HydrophobicContact CH2-CE1 3.8Å; T826-Y830 WeakPolarHBondContact O-CB 3.24Å; T826-Y830 PolarHBondContact O-N 3.37Å; I827-Y830 WeakPolarHBondContact O-CB 3.46Å; I827-Y830 PolarHBondContact O-N 3.39Å; M828-Y830 VanDerWaalsContact C-N 3.26Å; M828-Y830 PolarHBondContact O-N 3.4Å; Y830-F832 PolarHBondContact O-N 3.02Å; Y830-G833 PolarHBondContact O-N 3.21Å; Y830-G833 VanDerWaalsContact O-N 3.15Å; Y830-Q834 HydrophobicContact CD1-CG 4.46Å; Y830-Q834 HydrophobicContact CE1-CG 4.13Å; Y830-Q834 WeakPolarHBondContact O-CG 3.46Å; Y830-Q834 PolarHBondContact O-N 3.39Å; Y830-L907 HydrophobicContact CD2-CD1 4.01Å; Y830-L910 HydrophobicContact CD1-CB 4.4Å; Y830-L910 HydrophobicContact CD1-CD1 4.13Å; Y830-L910 HydrophobicContact CD1-CD2 4.44Å; Y830-L910 HydrophobicContact CD2-CB 3.96Å; Y830-L910 HydrophobicContact CD2-CD1 4.09Å; Y830-L910 HydrophobicContact CE1-CB 4.37Å; Y830-L910 HydrophobicContact CE2-CB 3.73Å; Y830-L910 HydrophobicContact CG-CB 4.29Å; Y830-L910 HydrophobicContact CG-CD1 3.8Å; Y830-L910 PolarHBondContact OH-O 2.84Å; Y830-L910 VanDerWaalsContact OH-O 3.08Å; Y830-R911 HydrophobicContact CE2-CG 4.05Å; Y830-R911 PolarHBondContact OH-NH1 3.45Å; Y830-R911 PolarHBondContact OH-NH2 2.98Å |
| 831 | W | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.4 | -73 | 12.3 | 0 | 0 | 0 | 112.2 | L557 T561 W581 L584 L588 I827 M828 Q834 A835 | L557-W831 HydrophobicContact CD2-CD2 4.5Å; L557-W831 HydrophobicContact CD2-CE3 4.4Å; L557-W831 HydrophobicContact CD2-CH2 4.14Å; L557-W831 HydrophobicContact CD2-CZ2 4.24Å; L557-W831 HydrophobicContact CD2-CZ3 4.23Å; L557-W831 WeakPolarHBondContact O-CZ2 3.32Å; T561-W831 PolarHBondContact OG1-NE1 3.15Å; W581-W831 HydrophobicContact CE3-CG 4.47Å; W581-W831 HydrophobicContact CZ3-CB 4.34Å; W581-W831 AromaticContact CZ3-CD1 3.51Å; W581-W831 HydrophobicContact CZ3-CD2 4.49Å; W581-W831 AromaticContact CZ3-CG 3.9Å; W581-W831 HydrophobicContact CZ3-CG 3.9Å; W581-W831 AromaticContact CZ3-NE1 3.96Å; L584-W831 HydrophobicContact CB-CD2 4.39Å; L584-W831 HydrophobicContact CB-CE3 3.83Å; L584-W831 HydrophobicContact CB-CH2 4.28Å; L584-W831 HydrophobicContact CB-CZ3 3.76Å; L584-W831 HydrophobicContact CD1-CZ2 4.4Å; L584-W831 HydrophobicContact CD2-CH2 3.93Å; L584-W831 HydrophobicContact CD2-CZ2 4.47Å; L584-W831 HydrophobicContact CD2-CZ3 4.18Å; L584-W831 HydrophobicContact CG-CH2 4.48Å; L584-W831 HydrophobicContact CG-CZ3 4.44Å; L588-W831 HydrophobicContact CB-CE3 4.15Å; L588-W831 HydrophobicContact CB-CZ3 4.19Å; L588-W831 HydrophobicContact CD2-CE3 4.07Å; I827-W831 HydrophobicContact CG2-CD2 4.47Å; I827-W831 HydrophobicContact CG2-CG 4.49Å; I827-W831 HydrophobicContact CG2-CZ2 4.36Å; I827-W831 PolarHBondContact O-N 3.06Å; M828-W831 PolarHBondContact O-N 3Å; W831-Q834 PolarHBondContact O-N 3.5Å; W831-A835 PolarHBondContact O-N 3.08Å |
| 832 | F | 97.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 8.1 Ų | 8.1 | 2% | 0.018 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 173.6 | -87.2 | -74.8 | 0 | 0 | 0 | 111.3 | L585 L588 T644 I806 M810 M828 Y830 Q834 A835 F836 W881 | L585-F832 HydrophobicContact CD1-CD1 3.66Å; L585-F832 HydrophobicContact CD1-CD2 4.11Å; L585-F832 HydrophobicContact CD1-CE1 3.55Å; L585-F832 HydrophobicContact CD1-CE2 3.99Å; L585-F832 HydrophobicContact CD1-CG 3.94Å; L585-F832 HydrophobicContact CD1-CZ 3.7Å; L585-F832 HydrophobicContact CD2-CD1 4.11Å; L585-F832 HydrophobicContact CD2-CE1 4.15Å; L585-F832 HydrophobicContact CG-CE1 4.32Å; L588-F832 HydrophobicContact CD2-CE2 4.31Å; T644-F832 HydrophobicContact CG2-CE1 3.9Å; T644-F832 HydrophobicContact CG2-CZ 4.07Å; I806-F832 HydrophobicContact CG2-CD1 4.31Å; I806-F832 HydrophobicContact CG2-CE1 3.68Å; I806-F832 HydrophobicContact CG2-CZ 4.1Å; M810-F832 HydrophobicContact CE-CZ 4.28Å; M828-F832 VanDerWaalsContact O-CD2 3.28Å; M828-F832 WeakPolarHBondContact O-CD2 3.13Å; M828-F832 PolarHBondContact O-N 3.47Å; Y830-F832 PolarHBondContact O-N 3.02Å; F832-Q834 VanDerWaalsContact C-N 3.28Å; F832-Q834 PolarHBondContact O-N 3.37Å; F832-A835 PolarHBondContact O-N 3.48Å; F832-A835 VanDerWaalsContact O-N 3.16Å; F832-F836 HydrophobicContact CD1-CE2 4.17Å; F832-F836 VanDerWaalsContact O-CD2 3.3Å; F832-F836 WeakPolarHBondContact O-CD2 3.46Å; F832-F836 PolarHBondContact O-N 3.21Å; F832-W881 HydrophobicContact CB-CD2 3.56Å; F832-W881 HydrophobicContact CB-CE3 3.47Å; F832-W881 VanDerWaalsContact CB-CE3 3.47Å; F832-W881 HydrophobicContact CB-CG 4.37Å; F832-W881 HydrophobicContact CB-CH2 3.44Å; F832-W881 VanDerWaalsContact CB-CH2 3.44Å; F832-W881 HydrophobicContact CB-CZ2 3.57Å; F832-W881 HydrophobicContact CB-CZ3 3.36Å; F832-W881 AromaticContact CD1-CH2 3.53Å; F832-W881 HydrophobicContact CD1-CH2 3.53Å; F832-W881 AromaticContact CD1-CZ2 3.68Å; F832-W881 HydrophobicContact CD1-CZ2 3.68Å; F832-W881 HydrophobicContact CD1-CZ3 4.24Å; F832-W881 AromaticContact CD2-CH2 3.75Å; F832-W881 HydrophobicContact CD2-CH2 3.75Å; F832-W881 AromaticContact CD2-CZ3 3.69Å; F832-W881 HydrophobicContact CD2-CZ3 3.69Å; F832-W881 HydrophobicContact CE1-CH2 4.15Å; F832-W881 HydrophobicContact CE1-CZ2 4.5Å; F832-W881 HydrophobicContact CE2-CH2 4.37Å; F832-W881 HydrophobicContact CG-CE3 4.18Å; F832-W881 AromaticContact CG-CH2 3.3Å; F832-W881 HydrophobicContact CG-CH2 3.3Å; F832-W881 AromaticContact CG-CZ2 3.73Å; F832-W881 HydrophobicContact CG-CZ2 3.73Å; F832-W881 AromaticContact CG-CZ3 3.52Å; F832-W881 HydrophobicContact CG-CZ3 3.52Å |
| 833 | G | 96.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -53.5 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H829 Y830 F836 F837 P878 | H829-G833 PolarHBondContact O-N 3.46Å; Y830-G833 PolarHBondContact O-N 3.21Å; Y830-G833 VanDerWaalsContact O-N 3.15Å; G833-F836 PolarHBondContact O-N 2.9Å; G833-F837 PolarHBondContact O-N 3.36Å; G833-F837 VanDerWaalsContact O-N 3.12Å; G833-P878 VanDerWaalsContact O-CD 3.3Å; G833-P878 WeakPolarHBondContact O-CD 3.48Å; G833-P878 WeakPolarHBondContact O-CG 3.45Å |
| 834 | Q | 96 | Very high | 94.3 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.009 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 176.6 | -61.9 | -58.6 | 72.9 | 0 | 0 | 112.8 | W581 Y830 W831 F832 F836 F837 Y838 H945 | W581-Q834 HydrophobicContact CD2-CB 3.55Å; W581-Q834 HydrophobicContact CD2-CG 4.27Å; W581-Q834 HydrophobicContact CE3-CB 3.87Å; W581-Q834 HydrophobicContact CE3-CG 4.43Å; W581-Q834 HydrophobicContact CG-CB 4.04Å; W581-Q834 HydrophobicContact CH2-CB 4.25Å; W581-Q834 HydrophobicContact CH2-CG 3.94Å; W581-Q834 HydrophobicContact CZ2-CB 3.9Å; W581-Q834 HydrophobicContact CZ2-CG 3.68Å; W581-Q834 HydrophobicContact CZ3-CB 4.23Å; W581-Q834 HydrophobicContact CZ3-CG 4.3Å; Y830-Q834 HydrophobicContact CD1-CG 4.46Å; Y830-Q834 HydrophobicContact CE1-CG 4.13Å; Y830-Q834 WeakPolarHBondContact O-CG 3.46Å; Y830-Q834 PolarHBondContact O-N 3.39Å; W831-Q834 PolarHBondContact O-N 3.5Å; F832-Q834 VanDerWaalsContact C-N 3.28Å; F832-Q834 PolarHBondContact O-N 3.37Å; Q834-F836 VanDerWaalsContact C-N 3.3Å; Q834-F836 PolarHBondContact O-N 3.44Å; Q834-F837 VanDerWaalsContact O-CB 3.31Å; Q834-F837 WeakPolarHBondContact O-CB 3.24Å; Q834-F837 PolarHBondContact O-N 3.44Å; Q834-Y838 WeakPolarHBondContact O-CD2 3.11Å; Q834-Y838 PolarHBondContact O-N 3.49Å; Q834-H945 PolarHBondContact OE1-CE1 3.02Å |
| 835 | A | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L585 W831 F832 F837 Y838 F839 | L585-A835 HydrophobicContact CD2-CB 3.61Å; W831-A835 PolarHBondContact O-N 3.08Å; F832-A835 PolarHBondContact O-N 3.48Å; F832-A835 VanDerWaalsContact O-N 3.16Å; A835-F837 VanDerWaalsContact C-N 3.32Å; A835-F837 PolarHBondContact O-N 3.07Å; A835-Y838 PolarHBondContact O-N 3.17Å; A835-Y838 VanDerWaalsContact O-N 3.14Å; A835-F839 HydrophobicContact CB-CD2 4.33Å; A835-F839 HydrophobicContact CB-CE2 3.85Å; A835-F839 HydrophobicContact CB-CZ 4.42Å; A835-F839 VanDerWaalsContact O-CD2 3.26Å; A835-F839 WeakPolarHBondContact O-CD2 3.28Å; A835-F839 WeakPolarHBondContact O-CG 3.47Å; A835-F839 PolarHBondContact O-N 2.96Å |
| 836 | F | 96.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 9.6 Ų | 9.6 | 4% | 0.035 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -71 | -23.8 | 177.7 | -89.5 | -88.7 | 0 | 0 | 0 | 114 | L651 V799 I806 F832 G833 Q834 Y838 F839 Q840 W881 | L651-F836 HydrophobicContact CD1-CE1 3.87Å; L651-F836 HydrophobicContact CD1-CZ 3.91Å; V799-F836 HydrophobicContact CG1-CD1 3.96Å; V799-F836 HydrophobicContact CG1-CE1 4.23Å; V799-F836 WeakPolarHBondContact O-CE1 3.22Å; I806-F836 HydrophobicContact CD1-CE2 4.39Å; I806-F836 HydrophobicContact CD1-CZ 3.99Å; F832-F836 HydrophobicContact CD1-CE2 4.17Å; F832-F836 VanDerWaalsContact O-CD2 3.3Å; F832-F836 WeakPolarHBondContact O-CD2 3.46Å; F832-F836 PolarHBondContact O-N 3.21Å; G833-F836 PolarHBondContact O-N 2.9Å; Q834-F836 VanDerWaalsContact C-N 3.3Å; Q834-F836 PolarHBondContact O-N 3.44Å; F836-Y838 VanDerWaalsContact C-N 3.32Å; F836-F839 HydrophobicContact CD1-CD2 4.39Å; F836-F839 HydrophobicContact CD2-CD2 4.24Å; F836-F839 HydrophobicContact CE1-CD2 4.48Å; F836-F839 HydrophobicContact CE2-CD2 4.36Å; F836-F839 HydrophobicContact CG-CD2 4.26Å; F836-F839 HydrophobicContact CZ-CD2 4.45Å; F836-Q840 PolarHBondContact O-N 2.92Å; F836-W881 AromaticContact CD2-CE2 3.85Å; F836-W881 HydrophobicContact CD2-CZ2 4.03Å; F836-W881 AromaticContact CD2-NE1 3.22Å; F836-W881 AromaticContact CE2-CZ2 3.78Å; F836-W881 HydrophobicContact CE2-CZ2 3.78Å; F836-W881 AromaticContact CE2-NE1 3.77Å; F836-W881 AromaticContact CG-NE1 3.53Å |
| 837 | F | 95.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 166.3 | 175.3 | -95.6 | 0 | 0 | 0 | 110.7 | G833 Q834 A835 N842 T874 Y875 P878 Y941 | G833-F837 PolarHBondContact O-N 3.36Å; G833-F837 VanDerWaalsContact O-N 3.12Å; Q834-F837 VanDerWaalsContact O-CB 3.31Å; Q834-F837 WeakPolarHBondContact O-CB 3.24Å; Q834-F837 PolarHBondContact O-N 3.44Å; A835-F837 VanDerWaalsContact C-N 3.32Å; A835-F837 PolarHBondContact O-N 3.07Å; F837-N842 HydrophobicContact CD1-CB 3.98Å; F837-N842 HydrophobicContact CD2-CB 4.18Å; F837-N842 HydrophobicContact CE1-CB 3.56Å; F837-N842 HydrophobicContact CE2-CB 3.79Å; F837-N842 HydrophobicContact CG-CB 4.27Å; F837-N842 HydrophobicContact CZ-CB 3.46Å; F837-N842 VanDerWaalsContact CZ-CB 3.46Å; F837-N842 WeakPolarHBondContact O-CB 3.46Å; F837-N842 PolarHBondContact O-ND2 3.26Å; F837-T874 WeakPolarHBondContact CD2-O 3.31Å; F837-T874 HydrophobicContact CE2-CG2 4.02Å; F837-T874 WeakPolarHBondContact CE2-O 3.44Å; F837-Y875 HydrophobicContact CD2-CD1 4.36Å; F837-Y875 HydrophobicContact CE2-CD1 4.21Å; F837-Y875 HydrophobicContact CE2-CE1 4.19Å; F837-P878 HydrophobicContact CB-CG 3.86Å; F837-P878 HydrophobicContact CD2-CG 4.38Å; F837-Y941 HydrophobicContact CE2-CD1 4.4Å; F837-Y941 HydrophobicContact CE2-CE1 4.22Å; F837-Y941 AromaticContact CZ-CD1 3.89Å; F837-Y941 HydrophobicContact CZ-CD1 3.89Å; F837-Y941 AromaticContact CZ-CE1 3.68Å; F837-Y941 HydrophobicContact CZ-CE1 3.68Å |
| 838 | Y | 94.8 | Very high | 91 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -77.5 | -38.1 | -179.8 | -64.2 | -71.6 | 0 | 0 | 0 | 112.8 | E577 H578 W581 Y582 T657 Q834 A835 F836 Q840 G841 N842 N844 | E577-Y838 PolarHBondContact OE2-OH 2.6Å; H578-Y838 HydrophobicContact CB-CD1 3.47Å; H578-Y838 VanDerWaalsContact CB-CD1 3.47Å; H578-Y838 HydrophobicContact CB-CD2 4.06Å; H578-Y838 HydrophobicContact CB-CE1 4.07Å; H578-Y838 HydrophobicContact CB-CG 3.46Å; H578-Y838 VanDerWaalsContact CB-CG 3.46Å; W581-Y838 HydrophobicContact CB-CD2 4.48Å; W581-Y838 AromaticContact CD1-CD2 3.78Å; W581-Y838 AromaticContact CD1-CE2 3.24Å; W581-Y838 HydrophobicContact CG-CD2 4.36Å; W581-Y838 HydrophobicContact CG-CE2 4.19Å; W581-Y838 AromaticContact NE1-CE2 3.76Å; Y582-Y838 WeakPolarHBondContact OH-CB 3.28Å; T657-Y838 WeakPolarHBondContact CG2-O 3.09Å; Q834-Y838 WeakPolarHBondContact O-CD2 3.11Å; Q834-Y838 PolarHBondContact O-N 3.49Å; A835-Y838 PolarHBondContact O-N 3.17Å; A835-Y838 VanDerWaalsContact O-N 3.14Å; F836-Y838 VanDerWaalsContact C-N 3.32Å; Y838-Q840 PolarHBondContact O-N 3.1Å; Y838-G841 PolarHBondContact O-N 3.45Å; Y838-N842 VanDerWaalsContact CD1-O 3.29Å; Y838-N842 WeakPolarHBondContact CD1-O 3.37Å; Y838-N844 PolarHBondContact OH-OD1 3.31Å |
| 839 | F | 93.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 12 Ų | 12 | 1% | 0.013 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59 | -21.8 | 176.2 | -68.6 | -43.2 | 0 | 0 | 0 | 114.1 | Y582 L585 C648 L651 R652 N655 V799 A835 F836 G841 | Y582-F839 AromaticContact CD1-CE1 3.71Å; Y582-F839 HydrophobicContact CD1-CE1 3.71Å; Y582-F839 AromaticContact CD1-CZ 3.89Å; Y582-F839 HydrophobicContact CD1-CZ 3.89Å; Y582-F839 AromaticContact CE1-CD1 3.61Å; Y582-F839 HydrophobicContact CE1-CD1 3.61Å; Y582-F839 AromaticContact CE1-CE1 3.23Å; Y582-F839 HydrophobicContact CE1-CE1 3.23Å; Y582-F839 HydrophobicContact CE1-CG 4.41Å; Y582-F839 AromaticContact CE1-CZ 3.76Å; Y582-F839 HydrophobicContact CE1-CZ 3.76Å; Y582-F839 AromaticContact CZ-CD1 3.97Å; Y582-F839 AromaticContact CZ-CE1 3.84Å; L585-F839 HydrophobicContact CD2-CE2 4.13Å; L585-F839 HydrophobicContact CD2-CZ 4.36Å; C648-F839 HydrophobicContact CB-CE2 4.43Å; C648-F839 HydrophobicContact CB-CZ 3.84Å; L651-F839 HydrophobicContact CB-CB 4.13Å; L651-F839 HydrophobicContact CB-CD1 3.69Å; L651-F839 HydrophobicContact CB-CD2 4.31Å; L651-F839 HydrophobicContact CB-CE1 4.14Å; L651-F839 HydrophobicContact CB-CG 3.8Å; L651-F839 HydrophobicContact CD1-CB 4.45Å; L651-F839 HydrophobicContact CD1-CD2 3.95Å; L651-F839 HydrophobicContact CD1-CE2 4.39Å; L651-F839 HydrophobicContact CD1-CG 4.17Å; R652-F839 HydrophobicContact CB-CE1 4.24Å; N655-F839 PolarHBondContact ND2-O 3.49Å; V799-F839 HydrophobicContact CG1-CB 4.02Å; V799-F839 WeakPolarHBondContact CG2-O 3.34Å; A835-F839 HydrophobicContact CB-CD2 4.33Å; A835-F839 HydrophobicContact CB-CE2 3.85Å; A835-F839 HydrophobicContact CB-CZ 4.42Å; A835-F839 VanDerWaalsContact O-CD2 3.26Å; A835-F839 WeakPolarHBondContact O-CD2 3.28Å; A835-F839 WeakPolarHBondContact O-CG 3.47Å; A835-F839 PolarHBondContact O-N 2.96Å; F836-F839 HydrophobicContact CD1-CD2 4.39Å; F836-F839 HydrophobicContact CD2-CD2 4.24Å; F836-F839 HydrophobicContact CE1-CD2 4.48Å; F836-F839 HydrophobicContact CE2-CD2 4.36Å; F836-F839 HydrophobicContact CG-CD2 4.26Å; F836-F839 HydrophobicContact CZ-CD2 4.45Å; F839-G841 PolarHBondContact O-N 2.92Å |
| 840 | Q | 92.3 | Very high | 89.5 | Confident | 16 Ų | 16 | 13.6 Ų | 13.6 | 8% | 0.075 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.7 | 173 | -177.2 | 176.3 | -31.1 | 0 | 0 | 113.5 | F792 N796 F836 Y838 S873 | F792-Q840 HydrophobicContact CZ-CG 4.23Å; N796-Q840 PolarHBondContact ND2-O 3.14Å; N796-Q840 VanDerWaalsContact ND2-O 3.15Å; N796-Q840 PolarHBondContact OD1-O 2.92Å; F836-Q840 PolarHBondContact O-N 2.92Å; Y838-Q840 PolarHBondContact O-N 3.1Å; Q840-S873 PolarHBondContact NE2-O 3.25Å; Q840-S873 PolarHBondContact OE1-O 3.43Å |
| 841 | G | 88.5 | Confident | 88.4 | Confident | 19 Ų | 19 | 17 Ų | 17 | 20% | 0.196 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97 | 3.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y838 F839 | Y838-G841 PolarHBondContact O-N 3.45Å; F839-G841 PolarHBondContact O-N 2.92Å |
| 842 | N | 89.9 | Confident | 87.3 | Confident | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | trans | -70 | 154.4 | 175.7 | -57.7 | -55.5 | 0 | 0 | 0 | 110.9 | F837 Y838 T874 | F837-N842 HydrophobicContact CD1-CB 3.98Å; F837-N842 HydrophobicContact CD2-CB 4.18Å; F837-N842 HydrophobicContact CE1-CB 3.56Å; F837-N842 HydrophobicContact CE2-CB 3.79Å; F837-N842 HydrophobicContact CG-CB 4.27Å; F837-N842 HydrophobicContact CZ-CB 3.46Å; F837-N842 VanDerWaalsContact CZ-CB 3.46Å; F837-N842 WeakPolarHBondContact O-CB 3.46Å; F837-N842 PolarHBondContact O-ND2 3.26Å; Y838-N842 VanDerWaalsContact CD1-O 3.29Å; Y838-N842 WeakPolarHBondContact CD1-O 3.37Å; N842-T874 PolarHBondContact ND2-O 3.13Å | ||
| 843 | S | 88.9 | Confident | 86.7 | Confident | 9 Ų | 9 | 18.9 Ų | 18.9 | 6% | 0.063 | 11% | 0.113 | C | C | . | . | trans | -136.3 | -177.2 | 170.8 | 74.8 | 0 | 0 | 0 | 0 | 110.1 | N845 T848 Y941 | S843-N845 PolarHBondContact O-N 3.48Å; S843-N845 WeakPolarHBondContact OG-CB 3.33Å; S843-N845 PolarHBondContact OG-N 2.95Å; S843-T848 PolarHBondContact N-OG1 2.99Å; S843-T848 PolarHBondContact O-OG1 3.5Å; S843-T848 WeakPolarHBondContact OG-CG2 3.38Å; S843-T848 PolarHBondContact OG-OG1 3.1Å; S843-T848 VanDerWaalsContact OG-OG1 3.13Å; S843-Y941 VanDerWaalsContact O-CZ 3.31Å; S843-Y941 PolarHBondContact O-OH 2.96Å | ||
| 844 | N | 87.2 | Confident | 86 | Confident | 11 Ų | 11 | 18.8 Ų | 18.8 | 6% | 0.059 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -79.8 | 5.1 | 171.9 | -66.1 | -40.5 | 0 | 0 | 0 | 113.2 | V574 E577 Y838 P937 K938 Y941 | V574-N844 PolarHBondContact O-ND2 3.01Å; E577-N844 PolarHBondContact OE2-ND2 3.47Å; Y838-N844 PolarHBondContact OH-OD1 3.31Å; N844-P937 WeakPolarHBondContact O-CB 3.35Å; N844-K938 HydrophobicContact CB-CB 4.38Å; N844-K938 HydrophobicContact CB-CD 4.28Å; N844-K938 WeakPolarHBondContact OD1-CD 3.43Å; N844-K938 PolarHBondContact OD1-NZ 3.49Å; N844-Y941 WeakPolarHBondContact O-CE2 3.3Å |
| 845 | N | 80 | Confident | 85.1 | Confident | 36 Ų | 36 | 19.9 Ų | 19.9 | 19% | 0.193 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -87.1 | 135.6 | 171.9 | -174.1 | -13.8 | 0 | 0 | 0 | 110.3 | S843 G847 T848 Y941 | S843-N845 PolarHBondContact O-N 3.48Å; S843-N845 WeakPolarHBondContact OG-CB 3.33Å; S843-N845 PolarHBondContact OG-N 2.95Å; N845-G847 PolarHBondContact O-N 2.88Å; N845-G847 PolarHBondContact OD1-N 3.47Å; N845-T848 PolarHBondContact O-N 3.4Å; N845-T848 PolarHBondContact O-OG1 3.35Å; N845-Y941 PolarHBondContact O-OH 3.41Å |
| 846 | I | 77.6 | Confident | 84.7 | Confident | 30 Ų | 30 | 20.2 Ų | 20.2 | 15% | 0.154 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -61.7 | -26.4 | 177 | -158.8 | 161.5 | 0 | 0 | 0 | 112.2 | F130 V133 G278 T848 V849 | F130-I846 HydrophobicContact CE1-CG2 4.37Å; V133-I846 HydrophobicContact CG1-CD1 3.95Å; G278-I846 VanDerWaalsContact O-CG2 3.31Å; G278-I846 WeakPolarHBondContact O-CG2 3.23Å; I846-T848 PolarHBondContact O-N 3.17Å; I846-V849 HydrophobicContact CG1-CG2 4.48Å; I846-V849 WeakPolarHBondContact O-CB 3.42Å; I846-V849 WeakPolarHBondContact O-CG2 3.48Å; I846-V849 PolarHBondContact O-N 3.43Å |
| 847 | G | 72.4 | Confident | 84.2 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 12% | 0.124 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -63.4 | -22.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S276 H277 N845 V849 | S276-G847 PolarHBondContact OG-O 2.87Å; H277-G847 WeakPolarHBondContact O-CA 3.11Å; N845-G847 PolarHBondContact O-N 2.88Å; N845-G847 PolarHBondContact OD1-N 3.47Å; G847-V849 PolarHBondContact O-N 3.49Å |
| 848 | T | 80 | Confident | 83.5 | Confident | 39 Ų | 39 | 21.6 Ų | 21.6 | 24% | 0.239 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -78.5 | -4.2 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 114 | S843 N845 I846 D850 Y941 | S843-T848 PolarHBondContact N-OG1 2.99Å; S843-T848 PolarHBondContact O-OG1 3.5Å; S843-T848 WeakPolarHBondContact OG-CG2 3.38Å; S843-T848 PolarHBondContact OG-OG1 3.1Å; S843-T848 VanDerWaalsContact OG-OG1 3.13Å; N845-T848 PolarHBondContact O-N 3.4Å; N845-T848 PolarHBondContact O-OG1 3.35Å; I846-T848 PolarHBondContact O-N 3.17Å; T848-D850 PolarHBondContact O-N 2.62Å; T848-Y941 PolarHBondContact OG1-OH 2.75Å |
| 849 | V | 82.9 | Confident | 82.6 | Confident | 33 Ų | 33 | 27.4 Ų | 27.4 | 20% | 0.2 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -74.4 | 111.5 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | I846 G847 I851 T870 T874 Y941 | I846-V849 HydrophobicContact CG1-CG2 4.48Å; I846-V849 WeakPolarHBondContact O-CB 3.42Å; I846-V849 WeakPolarHBondContact O-CG2 3.48Å; I846-V849 PolarHBondContact O-N 3.43Å; G847-V849 PolarHBondContact O-N 3.49Å; V849-I851 HydrophobicContact CG1-CG1 4.17Å; V849-I851 PolarHBondContact O-N 3.47Å; V849-T870 HydrophobicContact CG1-CG2 3.48Å; V849-T870 VanDerWaalsContact CG1-CG2 3.48Å; V849-T874 HydrophobicContact CG2-CG2 4.45Å; V849-Y941 HydrophobicContact CG2-CE1 4.45Å; V849-Y941 VanDerWaalsContact CG2-OH 3.26Å; V849-Y941 WeakPolarHBondContact CG2-OH 3.4Å |
| 850 | D | 77.9 | Confident | 81.3 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | trans | -75.1 | 87.3 | 176.2 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | R793 T848 S852 V853 | R793-D850 IonicContact CZ-OD2 3.56Å; R793-D850 IonicContact NE-OD2 3.63Å; R793-D850 PolarHBondContact NE-OD2 3.11Å; R793-D850 IonicContact NH2-OD1 2.92Å; R793-D850 PolarHBondContact NH2-OD1 3.36Å; R793-D850 VanDerWaalsContact NH2-OD1 3.14Å; R793-D850 IonicContact NH2-OD2 3.5Å; R793-D850 PolarHBondContact NH2-OD2 3.2Å; T848-D850 PolarHBondContact O-N 2.62Å; D850-S852 PolarHBondContact O-N 2.68Å; D850-S852 WeakPolarHBondContact OD1-CB 3.27Å; D850-S852 PolarHBondContact OD1-N 3.07Å; D850-S852 PolarHBondContact OD1-OG 3.04Å; D850-V853 HydrophobicContact CB-CG1 4.17Å; D850-V853 WeakPolarHBondContact O-CG2 3.44Å; D850-V853 PolarHBondContact O-N 3.4Å | ||
| 851 | I | 75.1 | Confident | 80.2 | Confident | 84 Ų | 84 | 31.4 Ų | 31.4 | 43% | 0.431 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -63.8 | -25.4 | -179.6 | -64.8 | 167.6 | 0 | 0 | 0 | 111.5 | V849 V853 G854 F855 | V849-I851 HydrophobicContact CG1-CG1 4.17Å; V849-I851 PolarHBondContact O-N 3.47Å; I851-V853 PolarHBondContact O-N 2.65Å; I851-V853 VanDerWaalsContact O-N 3.14Å; I851-G854 PolarHBondContact O-N 3.03Å; I851-F855 HydrophobicContact CG2-CE2 3.91Å; I851-F855 WeakPolarHBondContact O-CD2 3.25Å; I851-F855 WeakPolarHBondContact O-CE2 3.34Å |
| 852 | S | 74.2 | Confident | 79.7 | Confident | 42 Ų | 42 | 34.6 Ų | 34.6 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -60.1 | -27.5 | -179 | 78.5 | 0 | 0 | 0 | 0 | 113 | D850 G854 F855 | D850-S852 PolarHBondContact O-N 2.68Å; D850-S852 WeakPolarHBondContact OD1-CB 3.27Å; D850-S852 PolarHBondContact OD1-N 3.07Å; D850-S852 PolarHBondContact OD1-OG 3.04Å; S852-G854 PolarHBondContact O-N 2.91Å; S852-F855 PolarHBondContact O-N 3.07Å |
| 853 | V | 83.7 | Confident | 78.9 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -69.3 | -22.3 | 179 | -54.3 | 0 | 0 | 0 | 0 | 113 | L791 D850 I851 F855 V856 | L791-V853 HydrophobicContact CD2-CB 4.4Å; L791-V853 WeakPolarHBondContact O-CG1 3.29Å; D850-V853 HydrophobicContact CB-CG1 4.17Å; D850-V853 WeakPolarHBondContact O-CG2 3.44Å; D850-V853 PolarHBondContact O-N 3.4Å; I851-V853 PolarHBondContact O-N 2.65Å; I851-V853 VanDerWaalsContact O-N 3.14Å; V853-F855 PolarHBondContact O-N 3.35Å; V853-F855 VanDerWaalsContact O-N 3.13Å; V853-V856 WeakPolarHBondContact O-CG2 3.49Å; V853-V856 PolarHBondContact O-N 3.07Å |
| 854 | G | 81.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -60.2 | -19.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I851 S852 L858 A866 T870 | I851-G854 PolarHBondContact O-N 3.03Å; S852-G854 PolarHBondContact O-N 2.91Å; G854-L858 WeakPolarHBondContact O-CD1 3.48Å; G854-A866 WeakPolarHBondContact O-CA 3.37Å; G854-T870 WeakPolarHBondContact CA-OG1 3.45Å; G854-T870 PolarHBondContact N-OG1 3.36Å |
| 855 | F | 78.4 | Confident | 78.5 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 11% | 0.114 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -106.2 | -1.7 | -172 | -60.6 | -82.4 | 0 | 0 | 0 | 114.2 | F183 I851 S852 V853 G857 L858 Y861 | F183-F855 HydrophobicContact CB-CD1 3.97Å; F183-F855 HydrophobicContact CB-CE1 4.11Å; F183-F855 HydrophobicContact CB-CG 4.28Å; F183-F855 AromaticContact CD1-CD1 3.91Å; F183-F855 HydrophobicContact CD1-CD1 3.91Å; F183-F855 AromaticContact CD1-CE1 3.16Å; F183-F855 HydrophobicContact CD1-CE1 3.16Å; F183-F855 HydrophobicContact CD1-CE2 4.03Å; F183-F855 AromaticContact CD1-CZ 3.25Å; F183-F855 HydrophobicContact CD1-CZ 3.25Å; F183-F855 HydrophobicContact CD2-CD1 4.46Å; F183-F855 HydrophobicContact CD2-CE1 4.14Å; F183-F855 AromaticContact CE1-CE1 3.59Å; F183-F855 HydrophobicContact CE1-CE1 3.59Å; F183-F855 AromaticContact CE1-CZ 3.63Å; F183-F855 HydrophobicContact CE1-CZ 3.63Å; F183-F855 AromaticContact CG-CD1 3.85Å; F183-F855 HydrophobicContact CG-CD1 3.85Å; F183-F855 AromaticContact CG-CE1 3.53Å; F183-F855 HydrophobicContact CG-CE1 3.53Å; F183-F855 HydrophobicContact CG-CZ 4.05Å; F183-F855 HydrophobicContact CZ-CE1 4.32Å; I851-F855 HydrophobicContact CG2-CE2 3.91Å; I851-F855 WeakPolarHBondContact O-CD2 3.25Å; I851-F855 WeakPolarHBondContact O-CE2 3.34Å; S852-F855 PolarHBondContact O-N 3.07Å; V853-F855 PolarHBondContact O-N 3.35Å; V853-F855 VanDerWaalsContact O-N 3.13Å; F855-G857 PolarHBondContact O-N 3.49Å; F855-L858 PolarHBondContact O-N 3.38Å; F855-Y861 AromaticContact CE1-CD2 3.56Å; F855-Y861 HydrophobicContact CE1-CD2 3.56Å; F855-Y861 HydrophobicContact CE1-CG 4.31Å; F855-Y861 AromaticContact CZ-CD2 3.75Å; F855-Y861 HydrophobicContact CZ-CD2 3.75Å; F855-Y861 HydrophobicContact CZ-CE2 4.37Å |
| 856 | V | 86.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 117.2 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | Y717 A742 Y746 L790 L791 V853 | Y717-V856 HydrophobicContact CE1-CG1 4.19Å; Y717-V856 HydrophobicContact CE2-CG1 4.34Å; A742-V856 HydrophobicContact CB-CG1 3.77Å; Y746-V856 WeakPolarHBondContact CE2-O 3.37Å; Y746-V856 PolarHBondContact OH-O 3.1Å; L790-V856 HydrophobicContact CD1-CG1 4.09Å; L790-V856 HydrophobicContact CD2-CG1 4.01Å; L790-V856 HydrophobicContact CG-CG1 3.86Å; L791-V856 HydrophobicContact CD2-CB 4.21Å; L791-V856 HydrophobicContact CD2-CG2 4.23Å; V853-V856 WeakPolarHBondContact O-CG2 3.49Å; V853-V856 PolarHBondContact O-N 3.07Å |
| 857 | G | 85.6 | Confident | 78.9 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 5.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | R743 F855 | R743-G857 PolarHBondContact NE-O 3.32Å; R743-G857 VanDerWaalsContact NE-O 3.16Å; F855-G857 PolarHBondContact O-N 3.49Å |
| 858 | L | 81.9 | Confident | 79.7 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | trans | -97.9 | 147.8 | 173.8 | -57.8 | -176.8 | 0 | 0 | 0 | 111.6 | G854 F855 P865 | G854-L858 WeakPolarHBondContact O-CD1 3.48Å; F855-L858 PolarHBondContact O-N 3.38Å; L858-P865 HydrophobicContact CD1-CB 4.34Å | ||
| 859 | E | 74.4 | Confident | 80.2 | Confident | 127 Ų | 127 | 47.3 Ų | 47.3 | 59% | 0.593 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -96.4 | -24.1 | 172.8 | -76.7 | 168.6 | -143.8 | 0 | 0 | 112.3 | T739 R743 | T739-E859 HydrophobicContact CG2-CG 4.03Å; R743-E859 IonicContact CZ-OE1 2.86Å; R743-E859 IonicContact NH1-OE1 3.6Å; R743-E859 PolarHBondContact NH1-OE1 3.02Å; R743-E859 VanDerWaalsContact NH2-CD 3.34Å; R743-E859 IonicContact NH2-OE1 3.51Å; R743-E859 PolarHBondContact NH2-OE1 2.73Å |
| 860 | S | 67.4 | Low | 80.6 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -142.8 | 159.1 | 179.1 | 62.4 | 0 | 0 | 0 | 0 | 109.7 | I862 | S860-I862 PolarHBondContact O-N 3.11Š|
| 861 | Y | 70.1 | Confident | 81.2 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 13% | 0.125 | 26% | 0.257 | C | S | . | . | trans | -61 | 127.7 | 174 | 177.4 | -93.6 | 0 | 0 | 0 | 111.2 | L137 N138 F183 F855 E863 A866 | L137-Y861 PolarHBondContact O-OH 2.92Å; N138-Y861 HydrophobicContact CB-CE1 3.94Å; N138-Y861 VanDerWaalsContact OD1-CE1 3.29Å; N138-Y861 WeakPolarHBondContact OD1-CE1 3.49Å; F183-Y861 HydrophobicContact CE1-CD2 4.39Å; F183-Y861 HydrophobicContact CZ-CG 4.33Å; F855-Y861 AromaticContact CE1-CD2 3.56Å; F855-Y861 HydrophobicContact CE1-CD2 3.56Å; F855-Y861 HydrophobicContact CE1-CG 4.31Å; F855-Y861 AromaticContact CZ-CD2 3.75Å; F855-Y861 HydrophobicContact CZ-CD2 3.75Å; F855-Y861 HydrophobicContact CZ-CE2 4.37Å; Y861-E863 HydrophobicContact CE1-CB 3.82Å; Y861-E863 WeakPolarHBondContact OH-CA 3.38Å; Y861-A866 HydrophobicContact CD2-CB 4.34Å; Y861-A866 HydrophobicContact CE2-CB 3.98Å | ||
| 862 | I | 76.6 | Confident | 82 | Confident | 86 Ų | 86 | 42.5 Ų | 42.5 | 44% | 0.441 | 24% | 0.239 | S | C | . | . | trans | -130 | 120.1 | 167.7 | -51.9 | 178.1 | 0 | 0 | 0 | 106.4 | S860 A864 P865 A866 | S860-I862 PolarHBondContact O-N 3.11Å; I862-A864 PolarHBondContact O-N 3.25Å; I862-P865 HydrophobicContact CB-CG 4.17Å; I862-P865 HydrophobicContact CG2-CG 3.93Å; I862-P865 WeakPolarHBondContact O-CD 3.44Å; I862-A866 VanDerWaalsContact O-CB 3.27Å; I862-A866 WeakPolarHBondContact O-CB 3.16Å; I862-A866 PolarHBondContact O-N 3.18Å; I862-A866 VanDerWaalsContact O-N 3.09Å | ||
| 863 | E | 73.9 | Confident | 83 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.5 | -55 | -168.1 | -177.9 | 172.6 | 178.8 | 0 | 0 | 113.5 | N138 Y861 A866 I867 | N138-E863 PolarHBondContact ND2-OE2 3.35Å; Y861-E863 HydrophobicContact CE1-CB 3.82Å; Y861-E863 WeakPolarHBondContact OH-CA 3.38Å; E863-A866 PolarHBondContact O-N 3.36Å; E863-I867 HydrophobicContact CG-CD1 3.66Å; E863-I867 WeakPolarHBondContact O-CG1 3.26Å; E863-I867 PolarHBondContact O-N 3.12Å |
| 864 | A | 81.8 | Confident | 83.5 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.2 | -48.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I862 F868 | I862-A864 PolarHBondContact O-N 3.25Å; A864-F868 VanDerWaalsContact O-CB 3.29Å; A864-F868 WeakPolarHBondContact O-CB 3.28Å; A864-F868 PolarHBondContact O-N 3.45Å |
| 865 | P | 85.1 | Confident | 84.1 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 173.7 | -23.9 | 34.9 | 0 | 0 | 0 | 113.1 | L858 I862 F868 L869 | L858-P865 HydrophobicContact CD1-CB 4.34Å; I862-P865 HydrophobicContact CB-CG 4.17Å; I862-P865 HydrophobicContact CG2-CG 3.93Å; I862-P865 WeakPolarHBondContact O-CD 3.44Å; P865-F868 PolarHBondContact O-N 2.89Å; P865-L869 WeakPolarHBondContact O-CB 3.48Å; P865-L869 VanDerWaalsContact O-CG 3.24Å; P865-L869 WeakPolarHBondContact O-CG 3.28Å; P865-L869 PolarHBondContact O-N 2.92Å |
| 866 | A | 81.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | G854 Y861 I862 E863 F868 L869 T870 | G854-A866 WeakPolarHBondContact O-CA 3.37Å; Y861-A866 HydrophobicContact CD2-CB 4.34Å; Y861-A866 HydrophobicContact CE2-CB 3.98Å; I862-A866 VanDerWaalsContact O-CB 3.27Å; I862-A866 WeakPolarHBondContact O-CB 3.16Å; I862-A866 PolarHBondContact O-N 3.18Å; I862-A866 VanDerWaalsContact O-N 3.09Å; E863-A866 PolarHBondContact O-N 3.36Å; A866-F868 VanDerWaalsContact C-N 3.31Å; A866-F868 PolarHBondContact O-N 3.38Å; A866-L869 PolarHBondContact O-N 2.85Å; A866-T870 WeakPolarHBondContact O-CB 3.46Å; A866-T870 PolarHBondContact O-N 3.42Å; A866-T870 PolarHBondContact O-OG1 3.35Å |
| 867 | I | 83.7 | Confident | 85.3 | Confident | 63 Ų | 63 | 40.2 Ų | 40.2 | 32% | 0.323 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.5 | -67 | 171.5 | 0 | 0 | 0 | 110.5 | L137 E863 A871 | L137-I867 HydrophobicContact CD1-CD1 4.04Å; L137-I867 HydrophobicContact CD1-CG1 3.86Å; E863-I867 HydrophobicContact CG-CD1 3.66Å; E863-I867 WeakPolarHBondContact O-CG1 3.26Å; E863-I867 PolarHBondContact O-N 3.12Å; I867-A871 VanDerWaalsContact O-CB 3.25Å; I867-A871 WeakPolarHBondContact O-CB 3.39Å; I867-A871 PolarHBondContact O-N 3.07Å |
| 868 | F | 89.3 | Confident | 85.8 | Confident | 124 Ų | 124 | 40.6 Ų | 40.6 | 54% | 0.544 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -49.2 | -179.6 | 174 | -100.4 | 0 | 0 | 0 | 112.5 | L787 A864 P865 A866 A871 L872 | L787-F868 HydrophobicContact CD2-CE1 4.48Å; A864-F868 VanDerWaalsContact O-CB 3.29Å; A864-F868 WeakPolarHBondContact O-CB 3.28Å; A864-F868 PolarHBondContact O-N 3.45Å; P865-F868 PolarHBondContact O-N 2.89Å; A866-F868 VanDerWaalsContact C-N 3.31Å; A866-F868 PolarHBondContact O-N 3.38Å; F868-A871 PolarHBondContact O-N 2.66Å; F868-L872 HydrophobicContact CE1-CD2 4.15Å; F868-L872 HydrophobicContact CZ-CD2 4.25Å; F868-L872 WeakPolarHBondContact O-CB 3.31Å; F868-L872 PolarHBondContact O-N 3.42Å |
| 869 | L | 92.1 | Very high | 86.5 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | -178 | -67.5 | 177.2 | 0 | 0 | 0 | 111.7 | Y746 L787 L791 P865 A866 L872 S873 | Y746-L869 HydrophobicContact CE1-CD2 4.39Å; Y746-L869 WeakPolarHBondContact OH-CD1 3.47Å; L787-L869 HydrophobicContact CD1-CD2 4.23Å; L791-L869 HydrophobicContact CD1-CD2 4.17Å; L791-L869 HydrophobicContact CD2-CB 4.32Å; L791-L869 HydrophobicContact CD2-CD2 4.2Å; P865-L869 WeakPolarHBondContact O-CB 3.48Å; P865-L869 VanDerWaalsContact O-CG 3.24Å; P865-L869 WeakPolarHBondContact O-CG 3.28Å; P865-L869 PolarHBondContact O-N 2.92Å; A866-L869 PolarHBondContact O-N 2.85Å; L869-L872 PolarHBondContact O-N 2.83Å; L869-S873 WeakPolarHBondContact O-CB 3.26Å; L869-S873 PolarHBondContact O-N 2.84Å |
| 870 | T | 89.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 35 Ų | 35 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -51 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111 | V849 G854 A866 L872 S873 T874 | V849-T870 HydrophobicContact CG1-CG2 3.48Å; V849-T870 VanDerWaalsContact CG1-CG2 3.48Å; G854-T870 WeakPolarHBondContact CA-OG1 3.45Å; G854-T870 PolarHBondContact N-OG1 3.36Å; A866-T870 WeakPolarHBondContact O-CB 3.46Å; A866-T870 PolarHBondContact O-N 3.42Å; A866-T870 PolarHBondContact O-OG1 3.35Å; T870-L872 VanDerWaalsContact C-N 3.31Å; T870-L872 PolarHBondContact O-N 2.92Å; T870-S873 PolarHBondContact O-N 3.41Å; T870-T874 WeakPolarHBondContact O-CB 3.35Å; T870-T874 PolarHBondContact O-N 2.89Å; T870-T874 PolarHBondContact O-OG1 2.77Å; T870-T874 VanDerWaalsContact O-OG1 3.05Å |
| 871 | A | 90.8 | Very high | 89 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I867 F868 S873 T874 Y875 | I867-A871 VanDerWaalsContact O-CB 3.25Å; I867-A871 WeakPolarHBondContact O-CB 3.39Å; I867-A871 PolarHBondContact O-N 3.07Å; F868-A871 PolarHBondContact O-N 2.66Å; A871-S873 PolarHBondContact O-N 3.29Å; A871-T874 PolarHBondContact O-N 2.97Å; A871-Y875 WeakPolarHBondContact O-CB 3.43Å; A871-Y875 VanDerWaalsContact O-CD2 3.31Å; A871-Y875 WeakPolarHBondContact O-CD2 3.34Å; A871-Y875 PolarHBondContact O-N 2.96Å |
| 872 | L | 93.6 | Very high | 90.3 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 178.2 | 176.9 | 60.9 | 0 | 0 | 0 | 112.4 | L784 L787 L791 F868 L869 T870 A876 L879 | L784-L872 HydrophobicContact CD1-CD1 3.72Å; L784-L872 HydrophobicContact CD1-CD2 4.32Å; L787-L872 HydrophobicContact CD2-CD2 3.25Å; L787-L872 HydrophobicContact CG-CD2 3.6Å; L791-L872 HydrophobicContact CD1-CB 4.37Å; L791-L872 HydrophobicContact CD1-CD2 3.92Å; L791-L872 HydrophobicContact CD1-CG 4.09Å; F868-L872 HydrophobicContact CE1-CD2 4.15Å; F868-L872 HydrophobicContact CZ-CD2 4.25Å; F868-L872 WeakPolarHBondContact O-CB 3.31Å; F868-L872 PolarHBondContact O-N 3.42Å; L869-L872 PolarHBondContact O-N 2.83Å; T870-L872 VanDerWaalsContact C-N 3.31Å; T870-L872 PolarHBondContact O-N 2.92Å; L872-A876 WeakPolarHBondContact O-CA 3.47Å; L872-A876 WeakPolarHBondContact O-CB 3.43Å; L872-A876 PolarHBondContact O-N 3.34Å; L872-L879 HydrophobicContact CD1-CD2 3.26Å |
| 873 | S | 93.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.9 | -46.5 | 177.9 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | Q840 L869 T870 A871 Y875 A876 | Q840-S873 PolarHBondContact NE2-O 3.25Å; Q840-S873 PolarHBondContact OE1-O 3.43Å; L869-S873 WeakPolarHBondContact O-CB 3.26Å; L869-S873 PolarHBondContact O-N 2.84Å; T870-S873 PolarHBondContact O-N 3.41Å; A871-S873 PolarHBondContact O-N 3.29Å; S873-Y875 VanDerWaalsContact C-N 3.34Å; S873-Y875 PolarHBondContact O-N 3.23Å; S873-A876 WeakPolarHBondContact O-CB 3.45Å; S873-A876 PolarHBondContact O-N 2.95Å |
| 874 | T | 93.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 179.5 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | F837 N842 V849 T870 A871 Y941 | F837-T874 WeakPolarHBondContact CD2-O 3.31Å; F837-T874 HydrophobicContact CE2-CG2 4.02Å; F837-T874 WeakPolarHBondContact CE2-O 3.44Å; N842-T874 PolarHBondContact ND2-O 3.13Å; V849-T874 HydrophobicContact CG2-CG2 4.45Å; T870-T874 WeakPolarHBondContact O-CB 3.35Å; T870-T874 PolarHBondContact O-N 2.89Å; T870-T874 PolarHBondContact O-OG1 2.77Å; T870-T874 VanDerWaalsContact O-OG1 3.05Å; A871-T874 PolarHBondContact O-N 2.97Å; T874-Y941 HydrophobicContact CG2-CE1 4.11Å |
| 875 | Y | 95.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 5% | 0.047 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 18.9 | -176.6 | -65.6 | -81 | 0 | 0 | 0 | 114.1 | F837 A871 S873 G877 P878 L879 Y941 M944 H945 L948 | F837-Y875 HydrophobicContact CD2-CD1 4.36Å; F837-Y875 HydrophobicContact CE2-CD1 4.21Å; F837-Y875 HydrophobicContact CE2-CE1 4.19Å; A871-Y875 WeakPolarHBondContact O-CB 3.43Å; A871-Y875 VanDerWaalsContact O-CD2 3.31Å; A871-Y875 WeakPolarHBondContact O-CD2 3.34Å; A871-Y875 PolarHBondContact O-N 2.96Å; S873-Y875 VanDerWaalsContact C-N 3.34Å; S873-Y875 PolarHBondContact O-N 3.23Å; Y875-G877 VanDerWaalsContact C-N 3.34Å; Y875-G877 PolarHBondContact O-N 2.98Å; Y875-P878 WeakPolarHBondContact O-CD 3.43Å; Y875-L879 VanDerWaalsContact O-CB 3.25Å; Y875-L879 WeakPolarHBondContact O-CB 3.37Å; Y875-L879 PolarHBondContact O-N 3.49Å; Y875-Y941 HydrophobicContact CE1-CD1 4.25Å; Y875-Y941 AromaticContact CZ-CD1 3.88Å; Y875-Y941 WeakPolarHBondContact OH-CA 3.4Å; Y875-Y941 WeakPolarHBondContact OH-CD1 3.22Å; Y875-Y941 PolarHBondContact OH-O 2.9Å; Y875-Y941 VanDerWaalsContact OH-O 3.13Å; Y875-M944 HydrophobicContact CE2-CB 3.85Å; Y875-M944 WeakPolarHBondContact OH-CB 3.4Å; Y875-H945 AromaticContact CD1-CE1 3.52Å; Y875-H945 AromaticContact CD1-ND1 3.68Å; Y875-H945 AromaticContact CD1-NE2 3.94Å; Y875-H945 AromaticContact CE1-CD2 3.61Å; Y875-H945 AromaticContact CE1-CE1 3.56Å; Y875-H945 AromaticContact CE1-CG 3.72Å; Y875-H945 AromaticContact CE1-ND1 3.68Å; Y875-H945 AromaticContact CE1-NE2 3.52Å; Y875-L948 HydrophobicContact CD1-CD1 3.86Å; Y875-L948 HydrophobicContact CD2-CD1 3.46Å; Y875-L948 VanDerWaalsContact CD2-CD1 3.46Å; Y875-L948 HydrophobicContact CE2-CD1 4.19Å; Y875-L948 HydrophobicContact CG-CD1 3.25Å |
| 876 | A | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.3 | -44.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V788 F792 L872 S873 L879 L880 | V788-A876 HydrophobicContact CG1-CB 3.76Å; V788-A876 HydrophobicContact CG2-CB 4.05Å; F792-A876 HydrophobicContact CE1-CB 3.4Å; F792-A876 VanDerWaalsContact CE1-CB 3.4Å; F792-A876 HydrophobicContact CZ-CB 3.55Å; L872-A876 WeakPolarHBondContact O-CA 3.47Å; L872-A876 WeakPolarHBondContact O-CB 3.43Å; L872-A876 PolarHBondContact O-N 3.34Å; S873-A876 WeakPolarHBondContact O-CB 3.45Å; S873-A876 PolarHBondContact O-N 2.95Å; A876-L879 PolarHBondContact O-N 3.4Å; A876-L880 VanDerWaalsContact O-CB 3.25Å; A876-L880 WeakPolarHBondContact O-CB 3.4Å; A876-L880 WeakPolarHBondContact O-CG 3.35Å; A876-L880 PolarHBondContact O-N 3.1Å |
| 877 | G | 95.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 19 Ų | 19 | 7% | 0.072 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56 | -65.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y875 L879 L880 W881 | Y875-G877 VanDerWaalsContact C-N 3.34Å; Y875-G877 PolarHBondContact O-N 2.98Å; G877-L879 VanDerWaalsContact C-N 3.28Å; G877-L879 PolarHBondContact O-N 2.87Å; G877-L880 PolarHBondContact O-N 3.26Å; G877-W881 VanDerWaalsContact O-CD1 3.24Å; G877-W881 PolarHBondContact O-N 3.29Å; G877-W881 VanDerWaalsContact O-N 3.09Å |
| 878 | P | 96.4 | Very high | 94 | Very high | 16 Ų | 16 | 16.6 Ų | 16.6 | 10% | 0.104 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.2 | -42.7 | 177.6 | -26.9 | 32.7 | 0 | 0 | 0 | 113.5 | G833 F837 Y875 A882 | G833-P878 VanDerWaalsContact O-CD 3.3Å; G833-P878 WeakPolarHBondContact O-CD 3.48Å; G833-P878 WeakPolarHBondContact O-CG 3.45Å; F837-P878 HydrophobicContact CB-CG 3.86Å; F837-P878 HydrophobicContact CD2-CG 4.38Å; Y875-P878 WeakPolarHBondContact O-CD 3.43Å; P878-A882 VanDerWaalsContact O-CB 3.3Å; P878-A882 WeakPolarHBondContact O-CB 3.28Å; P878-A882 PolarHBondContact O-N 2.89Å |
| 879 | L | 96.3 | Very high | 94 | Very high | 32 Ų | 32 | 10.9 Ų | 10.9 | 17% | 0.168 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67 | -48.3 | -178.8 | -175.8 | 68.5 | 0 | 0 | 0 | 112.1 | L784 L872 Y875 A876 G877 W881 A882 C883 V952 | L784-L879 HydrophobicContact CD1-CD2 4.2Å; L784-L879 HydrophobicContact CD2-CD2 4.05Å; L784-L879 HydrophobicContact CD2-CG 4.17Å; L872-L879 HydrophobicContact CD1-CD2 3.26Å; Y875-L879 VanDerWaalsContact O-CB 3.25Å; Y875-L879 WeakPolarHBondContact O-CB 3.37Å; Y875-L879 PolarHBondContact O-N 3.49Å; A876-L879 PolarHBondContact O-N 3.4Å; G877-L879 VanDerWaalsContact C-N 3.28Å; G877-L879 PolarHBondContact O-N 2.87Å; L879-W881 VanDerWaalsContact C-N 3.32Å; L879-W881 PolarHBondContact O-N 3.44Å; L879-A882 PolarHBondContact O-N 3.26Å; L879-C883 WeakPolarHBondContact O-CB 3.42Å; L879-C883 PolarHBondContact O-N 2.91Å; L879-C883 PolarHBondContact O-SG 3.34Å; L879-C883 VanDerWaalsContact O-SG 3.34Å; L879-V952 HydrophobicContact CD1-CG2 3.72Å |
| 880 | L | 96.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 11.4 Ų | 11.4 | 4% | 0.042 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 179.8 | -73.7 | 175.8 | 0 | 0 | 0 | 111.5 | Y781 L784 V785 V788 L800 A876 G877 H884 | Y781-L880 HydrophobicContact CE2-CD2 4.28Å; L784-L880 HydrophobicContact CB-CD2 4.4Å; L784-L880 HydrophobicContact CD2-CD2 3.78Å; L784-L880 HydrophobicContact CG-CD2 3.82Å; V785-L880 HydrophobicContact CG2-CD2 3.86Å; V788-L880 HydrophobicContact CB-CD1 4.38Å; V788-L880 HydrophobicContact CG1-CD1 4.12Å; V788-L880 HydrophobicContact CG2-CD1 4.23Å; V788-L880 HydrophobicContact CG2-CD2 4.46Å; V788-L880 HydrophobicContact CG2-CG 4.43Å; L800-L880 HydrophobicContact CD1-CD1 3.5Å; A876-L880 VanDerWaalsContact O-CB 3.25Å; A876-L880 WeakPolarHBondContact O-CB 3.4Å; A876-L880 WeakPolarHBondContact O-CG 3.35Å; A876-L880 PolarHBondContact O-N 3.1Å; G877-L880 PolarHBondContact O-N 3.26Å; L880-H884 VanDerWaalsContact O-CB 3.26Å; L880-H884 WeakPolarHBondContact O-CB 3.35Å; L880-H884 PolarHBondContact O-N 2.9Å |
| 881 | W | 97.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 1% | 0.011 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.5 | -38.1 | 175.6 | -82.5 | 93.1 | 0 | 0 | 0 | 112.7 | I806 Q807 W815 H829 F832 F836 G877 L879 H884 L885 | I806-W881 HydrophobicContact CG2-CH2 3.98Å; I806-W881 HydrophobicContact CG2-CZ2 4.24Å; Q807-W881 HydrophobicContact CG-CD2 3.98Å; Q807-W881 HydrophobicContact CG-CE3 3.98Å; Q807-W881 HydrophobicContact CG-CH2 3.57Å; Q807-W881 HydrophobicContact CG-CZ2 3.53Å; Q807-W881 HydrophobicContact CG-CZ3 3.83Å; Q807-W881 VanDerWaalsContact NE2-CD2 3.32Å; W815-W881 HydrophobicContact CH2-CH2 4.48Å; W815-W881 AromaticContact CH2-CZ3 3.74Å; W815-W881 HydrophobicContact CH2-CZ3 3.74Å; W815-W881 HydrophobicContact CZ2-CZ3 4.27Å; H829-W881 HydrophobicContact CB-CE3 4.38Å; H829-W881 AromaticContact CD2-CE3 3.95Å; F832-W881 HydrophobicContact CB-CD2 3.56Å; F832-W881 HydrophobicContact CB-CE3 3.47Å; F832-W881 VanDerWaalsContact CB-CE3 3.47Å; F832-W881 HydrophobicContact CB-CG 4.37Å; F832-W881 HydrophobicContact CB-CH2 3.44Å; F832-W881 VanDerWaalsContact CB-CH2 3.44Å; F832-W881 HydrophobicContact CB-CZ2 3.57Å; F832-W881 HydrophobicContact CB-CZ3 3.36Å; F832-W881 AromaticContact CD1-CH2 3.53Å; F832-W881 HydrophobicContact CD1-CH2 3.53Å; F832-W881 AromaticContact CD1-CZ2 3.68Å; F832-W881 HydrophobicContact CD1-CZ2 3.68Å; F832-W881 HydrophobicContact CD1-CZ3 4.24Å; F832-W881 AromaticContact CD2-CH2 3.75Å; F832-W881 HydrophobicContact CD2-CH2 3.75Å; F832-W881 AromaticContact CD2-CZ3 3.69Å; F832-W881 HydrophobicContact CD2-CZ3 3.69Å; F832-W881 HydrophobicContact CE1-CH2 4.15Å; F832-W881 HydrophobicContact CE1-CZ2 4.5Å; F832-W881 HydrophobicContact CE2-CH2 4.37Å; F832-W881 HydrophobicContact CG-CE3 4.18Å; F832-W881 AromaticContact CG-CH2 3.3Å; F832-W881 HydrophobicContact CG-CH2 3.3Å; F832-W881 AromaticContact CG-CZ2 3.73Å; F832-W881 HydrophobicContact CG-CZ2 3.73Å; F832-W881 AromaticContact CG-CZ3 3.52Å; F832-W881 HydrophobicContact CG-CZ3 3.52Å; F836-W881 AromaticContact CD2-CE2 3.85Å; F836-W881 HydrophobicContact CD2-CZ2 4.03Å; F836-W881 AromaticContact CD2-NE1 3.22Å; F836-W881 AromaticContact CE2-CZ2 3.78Å; F836-W881 HydrophobicContact CE2-CZ2 3.78Å; F836-W881 AromaticContact CE2-NE1 3.77Å; F836-W881 AromaticContact CG-NE1 3.53Å; G877-W881 VanDerWaalsContact O-CD1 3.24Å; G877-W881 PolarHBondContact O-N 3.29Å; G877-W881 VanDerWaalsContact O-N 3.09Å; L879-W881 VanDerWaalsContact C-N 3.32Å; L879-W881 PolarHBondContact O-N 3.44Å; W881-H884 PolarHBondContact O-N 2.85Å; W881-L885 PolarHBondContact O-N 3.43Å |
| 882 | A | 96.4 | Very high | 92 | Very high | 17 Ų | 17 | 13 Ų | 13 | 14% | 0.14 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.8 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P878 L879 H884 L885 V886 V952 | P878-A882 VanDerWaalsContact O-CB 3.3Å; P878-A882 WeakPolarHBondContact O-CB 3.28Å; P878-A882 PolarHBondContact O-N 2.89Å; L879-A882 PolarHBondContact O-N 3.26Å; A882-H884 VanDerWaalsContact C-N 3.35Å; A882-L885 WeakPolarHBondContact O-CB 3.36Å; A882-L885 PolarHBondContact O-N 2.94Å; A882-V886 WeakPolarHBondContact O-CG2 3.47Å; A882-V886 PolarHBondContact O-N 2.86Å; A882-V886 VanDerWaalsContact O-N 3.12Å; A882-V952 HydrophobicContact CB-CG1 4.03Å; A882-V952 HydrophobicContact CB-CG2 4.22Å |
| 883 | C | 95.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 24 Ų | 24 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 172.5 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | Y781 L784 L879 L885 V886 C887 | Y781-C883 HydrophobicContact CD2-CB 4.09Å; L784-C883 HydrophobicContact CD2-CB 4.36Å; L879-C883 WeakPolarHBondContact O-CB 3.42Å; L879-C883 PolarHBondContact O-N 2.91Å; L879-C883 PolarHBondContact O-SG 3.34Å; L879-C883 VanDerWaalsContact O-SG 3.34Å; C883-L885 VanDerWaalsContact C-N 3.34Å; C883-V886 PolarHBondContact O-N 2.85Å; C883-C887 PolarHBondContact O-N 3.31Å; C883-C887 PolarHBondContact O-SG 3.24Å |
| 884 | H | 95.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 172.8 | -178.3 | -84.9 | 0 | 0 | 0 | 111.3 | W778 Y781 Q807 W815 H829 L880 W881 A882 V886 C887 Y888 | W778-H884 AromaticContact CH2-CD2 3.85Å; W778-H884 AromaticContact CH2-NE2 3.79Å; Y781-H884 HydrophobicContact CE2-CB 4.02Å; Q807-H884 PolarHBondContact OE1-CD2 3.36Å; W815-H884 AromaticContact CZ3-CE1 3.81Å; H829-H884 AromaticContact CD2-ND1 3.6Å; H829-H884 AromaticContact NE2-CE1 3.73Å; H829-H884 AromaticContact NE2-ND1 3.07Å; H829-H884 PolarHBondContact NE2-ND1 2.75Å; L880-H884 VanDerWaalsContact O-CB 3.26Å; L880-H884 WeakPolarHBondContact O-CB 3.35Å; L880-H884 PolarHBondContact O-N 2.9Å; W881-H884 PolarHBondContact O-N 2.85Å; A882-H884 VanDerWaalsContact C-N 3.35Å; H884-V886 VanDerWaalsContact C-N 3.34Å; H884-V886 PolarHBondContact O-N 2.96Å; H884-C887 WeakPolarHBondContact O-CB 3.28Å; H884-C887 PolarHBondContact O-N 3.4Å; H884-C887 VanDerWaalsContact O-N 3.16Å; H884-Y888 WeakPolarHBondContact O-CB 3.43Å; H884-Y888 PolarHBondContact O-N 3.41Å |
| 885 | L | 95.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 174.9 | 177.1 | 67.4 | 0 | 0 | 0 | 111.7 | T825 T826 H829 W881 A882 C883 C887 Y888 L889 F956 | T825-L885 HydrophobicContact CG2-CD1 4.01Å; T826-L885 HydrophobicContact CG2-CD2 3.77Å; H829-L885 HydrophobicContact CB-CB 4.18Å; H829-L885 HydrophobicContact CB-CD1 4.25Å; H829-L885 HydrophobicContact CB-CD2 4.46Å; W881-L885 PolarHBondContact O-N 3.43Å; A882-L885 WeakPolarHBondContact O-CB 3.36Å; A882-L885 PolarHBondContact O-N 2.94Å; C883-L885 VanDerWaalsContact C-N 3.34Å; L885-C887 VanDerWaalsContact C-N 3.34Å; L885-C887 PolarHBondContact O-N 2.9Å; L885-Y888 PolarHBondContact O-N 3.1Å; L885-L889 HydrophobicContact CD1-CD1 3.71Å; L885-L889 HydrophobicContact CD1-CG 3.88Å; L885-L889 HydrophobicContact CG-CD1 3.97Å; L885-L889 HydrophobicContact CG-CG 4.4Å; L885-L889 WeakPolarHBondContact O-CB 3.47Å; L885-L889 WeakPolarHBondContact O-CG 3.5Å; L885-L889 PolarHBondContact O-N 3.47Å; L885-F956 HydrophobicContact CD2-CZ 4Å; L885-F956 HydrophobicContact CG-CZ 4.14Å |
| 886 | V | 92.6 | Very high | 84.9 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | L777 A882 C883 H884 S890 V952 V955 F956 M959 | L777-V886 HydrophobicContact CD2-CG1 4.31Å; A882-V886 WeakPolarHBondContact O-CG2 3.47Å; A882-V886 PolarHBondContact O-N 2.86Å; A882-V886 VanDerWaalsContact O-N 3.12Å; C883-V886 PolarHBondContact O-N 2.85Å; H884-V886 VanDerWaalsContact C-N 3.34Å; H884-V886 PolarHBondContact O-N 2.96Å; V886-S890 WeakPolarHBondContact O-CB 3.49Å; V886-S890 PolarHBondContact O-N 2.71Å; V886-S890 PolarHBondContact O-OG 2.92Å; V886-V952 HydrophobicContact CG2-CG1 4.14Å; V886-V955 HydrophobicContact CG1-CG1 4.12Å; V886-F956 HydrophobicContact CB-CZ 4.43Å; V886-F956 HydrophobicContact CG2-CD1 4.28Å; V886-F956 HydrophobicContact CG2-CD2 3.59Å; V886-F956 HydrophobicContact CG2-CE1 3.98Å; V886-F956 HydrophobicContact CG2-CE2 3.24Å; V886-F956 HydrophobicContact CG2-CG 4.1Å; V886-F956 HydrophobicContact CG2-CZ 3.45Å; V886-F956 VanDerWaalsContact CG2-CZ 3.45Å; V886-M959 HydrophobicContact CG1-CG 3.79Å |
| 887 | C | 91.5 | Very high | 83.5 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 179 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | W778 C883 H884 L885 S890 S891 | W778-C887 HydrophobicContact CD2-CB 4.37Å; W778-C887 HydrophobicContact CH2-CB 4.38Å; W778-C887 HydrophobicContact CZ2-CB 4.05Å; C883-C887 PolarHBondContact O-N 3.31Å; C883-C887 PolarHBondContact O-SG 3.24Å; H884-C887 WeakPolarHBondContact O-CB 3.28Å; H884-C887 PolarHBondContact O-N 3.4Å; H884-C887 VanDerWaalsContact O-N 3.16Å; L885-C887 VanDerWaalsContact C-N 3.34Å; L885-C887 PolarHBondContact O-N 2.9Å; C887-S890 PolarHBondContact O-N 2.89Å; C887-S891 WeakPolarHBondContact O-CB 3.18Å; C887-S891 PolarHBondContact O-N 2.88Å; C887-S891 PolarHBondContact O-OG 3.45Å |
| 888 | Y | 91.4 | Very high | 82.9 | Confident | 13 Ų | 13 | 40 Ų | 40 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -57.4 | -179.5 | -179.4 | -97.7 | 0 | 0 | 0 | 111 | A811 W815 K816 T825 H884 L885 S890 S891 R895 | A811-Y888 HydrophobicContact CB-CD2 4Å; A811-Y888 HydrophobicContact CB-CE2 4.05Å; W815-Y888 HydrophobicContact CB-CE1 4.25Å; W815-Y888 HydrophobicContact CB-CE2 4.23Å; W815-Y888 WeakPolarHBondContact CB-OH 3.42Å; W815-Y888 HydrophobicContact CE3-CD2 4.35Å; W815-Y888 HydrophobicContact CE3-CE2 4.2Å; W815-Y888 PolarHBondContact O-OH 2.74Å; K816-Y888 PolarHBondContact N-OH 3.36Å; T825-Y888 HydrophobicContact CG2-CD1 3.88Å; T825-Y888 HydrophobicContact CG2-CE1 3.77Å; H884-Y888 WeakPolarHBondContact O-CB 3.43Å; H884-Y888 PolarHBondContact O-N 3.41Å; L885-Y888 PolarHBondContact O-N 3.1Å; Y888-S890 VanDerWaalsContact C-N 3.25Å; Y888-S890 PolarHBondContact O-N 3.32Å; Y888-S891 PolarHBondContact O-N 2.9Å; Y888-S891 PolarHBondContact O-OG 2.91Å; Y888-S891 VanDerWaalsContact O-OG 3.12Å; Y888-R895 PolarHBondContact OH-NH2 2.89Å |
| 889 | L | 89.5 | Confident | 82.4 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -30.5 | -179.1 | -66 | 179.2 | 0 | 0 | 0 | 112.9 | T825 L885 V900 F956 | T825-L889 HydrophobicContact CG2-CD2 4.48Å; L885-L889 HydrophobicContact CD1-CD1 3.71Å; L885-L889 HydrophobicContact CD1-CG 3.88Å; L885-L889 HydrophobicContact CG-CD1 3.97Å; L885-L889 HydrophobicContact CG-CG 4.4Å; L885-L889 WeakPolarHBondContact O-CB 3.47Å; L885-L889 WeakPolarHBondContact O-CG 3.5Å; L885-L889 PolarHBondContact O-N 3.47Å; L889-V900 HydrophobicContact CB-CG2 4.3Å; L889-F956 HydrophobicContact CD1-CE1 4.19Å |
| 890 | S | 85.4 | Confident | 82 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -84.3 | -17.7 | 180 | -57.8 | 0 | 0 | 0 | 0 | 114.4 | V886 C887 Y888 | V886-S890 WeakPolarHBondContact O-CB 3.49Å; V886-S890 PolarHBondContact O-N 2.71Å; V886-S890 PolarHBondContact O-OG 2.92Å; C887-S890 PolarHBondContact O-N 2.89Å; Y888-S890 VanDerWaalsContact C-N 3.25Å; Y888-S890 PolarHBondContact O-N 3.32Å |
| 891 | S | 77.4 | Confident | 81.6 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 33% | 0.329 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -96.1 | -15.4 | -172.1 | 67.6 | 0 | 0 | 0 | 0 | 114.5 | S774 C887 Y888 R893 | S774-S891 WeakPolarHBondContact OG-CB 3.36Å; C887-S891 WeakPolarHBondContact O-CB 3.18Å; C887-S891 PolarHBondContact O-N 2.88Å; C887-S891 PolarHBondContact O-OG 3.45Å; Y888-S891 PolarHBondContact O-N 2.9Å; Y888-S891 PolarHBondContact O-OG 2.91Å; Y888-S891 VanDerWaalsContact O-OG 3.12Å; S891-R893 PolarHBondContact O-N 3.42Å |
| 892 | E | 67.4 | Low | 81.3 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | trans | -87.4 | 109.3 | -173 | -149.1 | 164.8 | -148.4 | 0 | 0 | 111.5 | K816 E894 R895 | K816-E892 WeakPolarHBondContact CG-OE1 3.29Å; E892-E894 PolarHBondContact O-N 3.49Å; E892-E894 VanDerWaalsContact O-N 3.14Å; E892-R895 HydrophobicContact CB-CB 4.44Å; E892-R895 HydrophobicContact CB-CG 4.18Å; E892-R895 HydrophobicContact CG-CG 4.5Å; E892-R895 PolarHBondContact O-N 2.94Å; E892-R895 VanDerWaalsContact O-N 3.1Å; E892-R895 WeakPolarHBondContact OE2-CD 3.41Å; E892-R895 IonicContact OE2-CZ 3.79Å; E892-R895 VanDerWaalsContact OE2-CZ 3.29Å; E892-R895 IonicContact OE2-NE 3.36Å; E892-R895 PolarHBondContact OE2-NE 3.41Å; E892-R895 IonicContact OE2-NH2 3.77Å; E892-R895 PolarHBondContact OE2-NH2 3.37Å | ||
| 893 | R | 54.3 | Low | 81.1 | Confident | 238 Ų | 238 | 39.4 Ų | 39.4 | 90% | 0.898 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19 | -172.1 | -159 | 177.8 | -172.7 | -164.6 | 0 | 114.2 | S891 | S891-R893 PolarHBondContact O-N 3.42Š|
| 894 | E | 50.4 | Low | 81.1 | Confident | 160 Ų | 160 | 38 Ų | 38 | 75% | 0.748 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -16.2 | 178.6 | -69.8 | 177.3 | -173.4 | 0 | 0 | 113.2 | E892 | E892-E894 PolarHBondContact O-N 3.49Å; E892-E894 VanDerWaalsContact O-N 3.14Å |
| 895 | R | 58.8 | Low | 81.1 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -87.1 | 129.2 | -178.5 | -72.1 | -169 | -172.3 | -153.4 | -5.8 | 110.9 | Y820 Y888 E892 T899 | Y820-R895 PolarHBondContact O-NH2 2.74Å; Y820-R895 VanDerWaalsContact O-NH2 3.11Å; Y888-R895 PolarHBondContact OH-NH2 2.89Å; E892-R895 HydrophobicContact CB-CB 4.44Å; E892-R895 HydrophobicContact CB-CG 4.18Å; E892-R895 HydrophobicContact CG-CG 4.5Å; E892-R895 PolarHBondContact O-N 2.94Å; E892-R895 VanDerWaalsContact O-N 3.1Å; E892-R895 WeakPolarHBondContact OE2-CD 3.41Å; E892-R895 IonicContact OE2-CZ 3.79Å; E892-R895 VanDerWaalsContact OE2-CZ 3.29Å; E892-R895 IonicContact OE2-NE 3.36Å; E892-R895 PolarHBondContact OE2-NE 3.41Å; E892-R895 IonicContact OE2-NH2 3.77Å; E892-R895 PolarHBondContact OE2-NH2 3.37Å; R895-T899 HydrophobicContact CB-CG2 3.92Å; R895-T899 HydrophobicContact CG-CG2 4.32Å |
| 896 | S | 63 | Low | 81.1 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 44% | 0.441 | 19% | 0.193 | S | C | . | . | trans | -56.7 | 145.8 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V898 T899 | S896-V898 PolarHBondContact O-N 3.47Å; S896-V898 WeakPolarHBondContact OG-CB 3.24Å; S896-V898 WeakPolarHBondContact OG-CG2 3.38Å; S896-V898 PolarHBondContact OG-N 3.11Å; S896-T899 WeakPolarHBondContact O-CB 3.41Å; S896-T899 WeakPolarHBondContact O-CG2 3.43Å; S896-T899 PolarHBondContact O-N 3.12Å; S896-T899 PolarHBondContact O-OG1 3.37Å | ||
| 897 | P | 67.3 | Low | 81.2 | Confident | 73 Ų | 73 | 38.5 Ų | 38.5 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -20.4 | 174.1 | 19.8 | -32.4 | 0 | 0 | 0 | 113.8 | T899 | P897-T899 VanDerWaalsContact C-N 3.26Å; P897-T899 PolarHBondContact O-N 2.94Å |
| 898 | V | 81.3 | Confident | 81.5 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 16% | 0.158 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59 | -31.7 | 172.5 | 168.2 | 0 | 0 | 0 | 0 | 113.1 | S458 A460 S896 V900 G901 H902 | S458-V898 VanDerWaalsContact O-CG2 3.25Å; S458-V898 WeakPolarHBondContact O-CG2 3.46Å; A460-V898 HydrophobicContact CB-CB 4.22Å; A460-V898 HydrophobicContact CB-CG1 3.86Å; A460-V898 HydrophobicContact CB-CG2 4.13Å; S896-V898 PolarHBondContact O-N 3.47Å; S896-V898 WeakPolarHBondContact OG-CB 3.24Å; S896-V898 WeakPolarHBondContact OG-CG2 3.38Å; S896-V898 PolarHBondContact OG-N 3.11Å; V898-V900 VanDerWaalsContact C-N 3.34Å; V898-V900 PolarHBondContact O-N 3.39Å; V898-G901 PolarHBondContact O-N 2.89Å; V898-G901 VanDerWaalsContact O-N 3.12Å; V898-H902 WeakPolarHBondContact CG1-CE1 3.23Å; V898-H902 WeakPolarHBondContact CG1-NE2 3.33Å; V898-H902 PolarHBondContact O-N 2.53Å |
| 899 | T | 86.1 | Confident | 81.6 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | -176.7 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | R895 S896 P897 H902 G903 | R895-T899 HydrophobicContact CB-CG2 3.92Å; R895-T899 HydrophobicContact CG-CG2 4.32Å; S896-T899 WeakPolarHBondContact O-CB 3.41Å; S896-T899 WeakPolarHBondContact O-CG2 3.43Å; S896-T899 PolarHBondContact O-N 3.12Å; S896-T899 PolarHBondContact O-OG1 3.37Å; P897-T899 VanDerWaalsContact C-N 3.26Å; P897-T899 PolarHBondContact O-N 2.94Å; T899-H902 PolarHBondContact O-N 3.47Å; T899-G903 PolarHBondContact O-N 3.46Å |
| 900 | V | 87.8 | Confident | 81.9 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.2 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | L889 V898 G903 C904 F956 M959 E960 | L889-V900 HydrophobicContact CB-CG2 4.3Å; V898-V900 VanDerWaalsContact C-N 3.34Å; V898-V900 PolarHBondContact O-N 3.39Å; V900-G903 PolarHBondContact O-N 2.87Å; V900-C904 WeakPolarHBondContact O-CB 3.43Å; V900-C904 PolarHBondContact O-N 3.22Å; V900-F956 HydrophobicContact CG1-CD1 3.73Å; V900-F956 HydrophobicContact CG1-CE1 4.44Å; V900-F956 WeakPolarHBondContact O-CD1 3.33Å; V900-M959 HydrophobicContact CG1-CB 4.08Å; V900-E960 HydrophobicContact CB-CG 4.35Å; V900-E960 HydrophobicContact CG1-CB 4.4Å; V900-E960 HydrophobicContact CG1-CG 4.31Å |
| 901 | G | 89.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V898 Y905 | V898-G901 PolarHBondContact O-N 2.89Å; V898-G901 VanDerWaalsContact O-N 3.12Å; G901-Y905 WeakPolarHBondContact O-CB 3.43Å; G901-Y905 PolarHBondContact O-N 2.88Å; G901-Y905 VanDerWaalsContact O-N 3.08Å |
| 902 | H | 91.8 | Very high | 83.2 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 174.6 | -67.8 | 177 | 0 | 0 | 0 | 111.9 | A455 L456 S457 A822 V898 T899 C904 Y905 C906 | A455-H902 PolarHBondContact O-CD2 3.21Å; L456-H902 VanDerWaalsContact C-NE2 3.29Å; L456-H902 WeakPolarHBondContact CA-NE2 3.35Å; L456-H902 HydrophobicContact CD2-CB 4Å; L456-H902 PolarHBondContact O-CE1 3.35Å; L456-H902 VanDerWaalsContact O-CE1 3.32Å; L456-H902 PolarHBondContact O-NE2 2.97Å; S457-H902 PolarHBondContact O-NE2 3.05Å; A822-H902 HydrophobicContact CB-CB 3.78Å; V898-H902 WeakPolarHBondContact CG1-CE1 3.23Å; V898-H902 WeakPolarHBondContact CG1-NE2 3.33Å; V898-H902 PolarHBondContact O-N 2.53Å; T899-H902 PolarHBondContact O-N 3.47Å; H902-C904 PolarHBondContact O-N 2.97Å; H902-Y905 PolarHBondContact O-N 3.43Å; H902-C906 WeakPolarHBondContact O-CB 3.37Å; H902-C906 PolarHBondContact O-N 2.92Å; H902-C906 PolarHBondContact O-SG 2.61Å; H902-C906 VanDerWaalsContact O-SG 3.35Å |
| 903 | G | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T826 T899 V900 Y905 C906 L907 | T826-G903 WeakPolarHBondContact OG1-CA 3.09Å; T899-G903 PolarHBondContact O-N 3.46Å; V900-G903 PolarHBondContact O-N 2.87Å; G903-Y905 VanDerWaalsContact C-N 3.34Å; G903-Y905 PolarHBondContact O-N 3.31Å; G903-C906 PolarHBondContact O-N 3.4Å; G903-L907 VanDerWaalsContact O-CB 3.32Å; G903-L907 WeakPolarHBondContact O-CB 3.33Å; G903-L907 PolarHBondContact O-N 3.29Å |
| 904 | C | 94.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 175.3 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | V900 H902 L907 A908 C953 F956 | V900-C904 WeakPolarHBondContact O-CB 3.43Å; V900-C904 PolarHBondContact O-N 3.22Å; H902-C904 PolarHBondContact O-N 2.97Å; C904-L907 PolarHBondContact O-N 3.35Å; C904-A908 PolarHBondContact O-N 2.73Å; C904-C953 VanDerWaalsContact SG-SG 3.64Å; C904-F956 HydrophobicContact CB-CB 3.7Å; C904-F956 HydrophobicContact CB-CD1 3.71Å; C904-F956 HydrophobicContact CB-CD2 4.29Å; C904-F956 HydrophobicContact CB-CE1 4.38Å; C904-F956 HydrophobicContact CB-CG 3.66Å; C904-F956 VanDerWaalsContact SG-CB 3.59Å |
| 905 | Y | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.3 | -43.8 | -179.5 | -179.6 | -86.3 | 0 | 0 | 0 | 111.9 | F8 A9 L448 M452 A455 L456 G901 H902 G903 L907 A908 L909 | F8-Y905 HydrophobicContact CD1-CD2 4.36Å; F8-Y905 HydrophobicContact CD1-CE2 4.14Å; F8-Y905 HydrophobicContact CE1-CE2 4.02Å; A9-Y905 HydrophobicContact CB-CD2 4.18Å; L448-Y905 HydrophobicContact CD1-CD2 4.07Å; L448-Y905 HydrophobicContact CD1-CE2 3.49Å; L448-Y905 VanDerWaalsContact CD1-CE2 3.49Å; L448-Y905 HydrophobicContact CG-CE2 4.21Å; L448-Y905 PolarHBondContact O-OH 3.26Å; M452-Y905 WeakPolarHBondContact CA-OH 3.36Å; M452-Y905 HydrophobicContact CB-CE1 4.23Å; M452-Y905 WeakPolarHBondContact CB-OH 3.45Å; M452-Y905 HydrophobicContact CG-CE1 4.18Å; M452-Y905 PolarHBondContact N-OH 2.75Å; M452-Y905 VanDerWaalsContact N-OH 3.11Å; A455-Y905 HydrophobicContact CB-CD1 4.07Å; A455-Y905 HydrophobicContact CB-CD2 3.43Å; A455-Y905 VanDerWaalsContact CB-CD2 3.43Å; A455-Y905 HydrophobicContact CB-CE1 4Å; A455-Y905 HydrophobicContact CB-CE2 3.34Å; A455-Y905 HydrophobicContact CB-CG 3.81Å; L456-Y905 HydrophobicContact CD2-CD1 3.88Å; L456-Y905 HydrophobicContact CG-CD1 4.11Å; L456-Y905 HydrophobicContact CG-CE1 4.3Å; G901-Y905 WeakPolarHBondContact O-CB 3.43Å; G901-Y905 PolarHBondContact O-N 2.88Å; G901-Y905 VanDerWaalsContact O-N 3.08Å; H902-Y905 PolarHBondContact O-N 3.43Å; G903-Y905 VanDerWaalsContact C-N 3.34Å; G903-Y905 PolarHBondContact O-N 3.31Å; Y905-L907 VanDerWaalsContact C-N 3.35Å; Y905-L907 PolarHBondContact O-N 3.13Å; Y905-A908 PolarHBondContact O-N 2.89Å; Y905-L909 PolarHBondContact O-N 3.5Å |
| 906 | C | 95.4 | Very high | 90.2 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 8% | 0.081 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 174.3 | -70.4 | 0 | 0 | 0 | 0 | 112 | T826 H902 G903 A908 L909 L910 | T826-C906 HydrophobicContact CG2-CB 3.83Å; H902-C906 WeakPolarHBondContact O-CB 3.37Å; H902-C906 PolarHBondContact O-N 2.92Å; H902-C906 PolarHBondContact O-SG 2.61Å; H902-C906 VanDerWaalsContact O-SG 3.35Å; G903-C906 PolarHBondContact O-N 3.4Å; C906-A908 VanDerWaalsContact C-N 3.33Å; C906-A908 PolarHBondContact O-N 3.27Å; C906-L909 PolarHBondContact O-N 3.2Å; C906-L910 VanDerWaalsContact O-CG 3.28Å; C906-L910 WeakPolarHBondContact O-CG 3.35Å; C906-L910 PolarHBondContact O-N 3.4Å |
| 907 | L | 95.7 | Very high | 91.7 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.5 | -177.8 | 63.2 | 0 | 0 | 0 | 111.8 | T826 Y830 G903 C904 Y905 L910 R911 T949 V952 F956 | T826-L907 HydrophobicContact CG2-CB 3.98Å; Y830-L907 HydrophobicContact CD2-CD1 4.01Å; G903-L907 VanDerWaalsContact O-CB 3.32Å; G903-L907 WeakPolarHBondContact O-CB 3.33Å; G903-L907 PolarHBondContact O-N 3.29Å; C904-L907 PolarHBondContact O-N 3.35Å; Y905-L907 VanDerWaalsContact C-N 3.35Å; Y905-L907 PolarHBondContact O-N 3.13Å; L907-L910 PolarHBondContact O-N 3.04Å; L907-R911 PolarHBondContact O-N 3.12Å; L907-T949 HydrophobicContact CD1-CG2 4.46Å; L907-T949 HydrophobicContact CD2-CG2 4.14Å; L907-T949 HydrophobicContact CG-CG2 3.84Å; L907-V952 HydrophobicContact CD2-CG1 4.23Å; L907-F956 HydrophobicContact CD2-CE2 3.79Å |
| 908 | A | 96 | Very high | 93 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A9 L13 C904 Y905 C906 L910 R911 S912 | A9-A908 HydrophobicContact CB-CB 3.81Å; L13-A908 HydrophobicContact CD1-CB 3.73Å; L13-A908 HydrophobicContact CD2-CB 4.04Å; L13-A908 HydrophobicContact CG-CB 3.84Å; C904-A908 PolarHBondContact O-N 2.73Å; Y905-A908 PolarHBondContact O-N 2.89Å; C906-A908 VanDerWaalsContact C-N 3.33Å; C906-A908 PolarHBondContact O-N 3.27Å; A908-L910 VanDerWaalsContact C-N 3.35Å; A908-L910 PolarHBondContact O-N 3.43Å; A908-R911 PolarHBondContact O-N 3.43Å; A908-S912 PolarHBondContact O-N 3.16Å; A908-S912 PolarHBondContact O-OG 3.26Å |
| 909 | L | 95.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 11.3 Ų | 11.3 | 16% | 0.162 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 178.6 | -174.1 | 68.5 | 0 | 0 | 0 | 112.9 | L448 L449 M452 Y905 C906 R911 S912 V913 | L448-L909 HydrophobicContact CD2-CB 4.31Å; L448-L909 HydrophobicContact CD2-CD1 3.95Å; L448-L909 HydrophobicContact CG-CD1 4.38Å; L449-L909 HydrophobicContact CD2-CD1 3.65Å; L449-L909 HydrophobicContact CG-CD1 4.36Å; M452-L909 HydrophobicContact CE-CD2 3.46Å; M452-L909 VanDerWaalsContact CE-CD2 3.46Å; Y905-L909 PolarHBondContact O-N 3.5Å; C906-L909 PolarHBondContact O-N 3.2Å; L909-R911 PolarHBondContact O-N 2.91Å; L909-R911 VanDerWaalsContact O-N 3.12Å; L909-S912 PolarHBondContact O-N 2.85Å; L909-V913 HydrophobicContact CD1-CG2 3.8Å; L909-V913 HydrophobicContact CG-CG2 4.24Å; L909-V913 WeakPolarHBondContact O-CG2 3.35Å; L909-V913 PolarHBondContact O-N 3.05Å; L909-V913 VanDerWaalsContact O-N 3.17Å |
| 910 | L | 95.1 | Very high | 94 | Very high | 14 Ų | 14 | 13 Ų | 13 | 7% | 0.073 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.3 | -19.4 | 176.6 | -73.2 | 171 | 0 | 0 | 0 | 113.2 | T561 T826 I827 Y830 C906 L907 A908 P914 | T561-L910 HydrophobicContact CG2-CD2 3.5Å; T826-L910 HydrophobicContact CG2-CD1 4.11Å; I827-L910 HydrophobicContact CB-CD1 4.39Å; I827-L910 HydrophobicContact CG1-CD1 3.93Å; I827-L910 HydrophobicContact CG1-CD2 4.15Å; I827-L910 HydrophobicContact CG1-CG 4.48Å; Y830-L910 HydrophobicContact CD1-CB 4.4Å; Y830-L910 HydrophobicContact CD1-CD1 4.13Å; Y830-L910 HydrophobicContact CD1-CD2 4.44Å; Y830-L910 HydrophobicContact CD2-CB 3.96Å; Y830-L910 HydrophobicContact CD2-CD1 4.09Å; Y830-L910 HydrophobicContact CE1-CB 4.37Å; Y830-L910 HydrophobicContact CE2-CB 3.73Å; Y830-L910 HydrophobicContact CG-CB 4.29Å; Y830-L910 HydrophobicContact CG-CD1 3.8Å; Y830-L910 PolarHBondContact OH-O 2.84Å; Y830-L910 VanDerWaalsContact OH-O 3.08Å; C906-L910 VanDerWaalsContact O-CG 3.28Å; C906-L910 WeakPolarHBondContact O-CG 3.35Å; C906-L910 PolarHBondContact O-N 3.4Å; L907-L910 PolarHBondContact O-N 3.04Å; A908-L910 VanDerWaalsContact C-N 3.35Å; A908-L910 PolarHBondContact O-N 3.43Å; L910-P914 VanDerWaalsContact O-CD 3.25Å; L910-P914 WeakPolarHBondContact O-CD 3.39Å; L910-P914 WeakPolarHBondContact O-CG 3.31Å |
| 911 | R | 94.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 4% | 0.038 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -101 | -43.8 | 177.3 | -72.1 | -71.9 | 171.6 | -148.9 | -15.3 | 113.5 | Y830 L907 A908 L909 V913 P914 A915 L946 T949 | Y830-R911 HydrophobicContact CE2-CG 4.05Å; Y830-R911 PolarHBondContact OH-NH1 3.45Å; Y830-R911 PolarHBondContact OH-NH2 2.98Å; L907-R911 PolarHBondContact O-N 3.12Å; A908-R911 PolarHBondContact O-N 3.43Å; L909-R911 PolarHBondContact O-N 2.91Å; L909-R911 VanDerWaalsContact O-N 3.12Å; R911-V913 VanDerWaalsContact C-N 3.32Å; R911-V913 PolarHBondContact O-N 3.44Å; R911-P914 WeakPolarHBondContact O-CD 3.46Å; R911-A915 VanDerWaalsContact O-CB 3.3Å; R911-A915 WeakPolarHBondContact O-CB 3.41Å; R911-A915 PolarHBondContact O-N 3.25Å; R911-A915 VanDerWaalsContact O-N 3.12Å; R911-L946 HydrophobicContact CB-CD1 4.42Å; R911-T949 HydrophobicContact CB-CG2 4.4Å; R911-T949 HydrophobicContact CG-CG2 3.81Å; R911-T949 WeakPolarHBondContact CG-OG1 3.46Å |
| 912 | S | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | -178.8 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | L13 E16 A908 L909 A916 | L13-S912 WeakPolarHBondContact CD2-OG 3.43Å; E16-S912 WeakPolarHBondContact OE1-CA 3.17Å; E16-S912 VanDerWaalsContact OE2-CB 3.25Å; E16-S912 WeakPolarHBondContact OE2-CB 3.32Å; E16-S912 PolarHBondContact OE2-OG 2.84Å; A908-S912 PolarHBondContact O-N 3.16Å; A908-S912 PolarHBondContact O-OG 3.26Å; L909-S912 PolarHBondContact O-N 2.85Å; S912-A916 VanDerWaalsContact O-CB 3.28Å; S912-A916 WeakPolarHBondContact O-CB 3.42Å; S912-A916 PolarHBondContact O-N 3.21Å |
| 913 | V | 95.1 | Very high | 94.4 | Very high | 45 Ų | 45 | 13.3 Ų | 13.3 | 27% | 0.273 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -64.4 | -55.2 | -179.2 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | L445 T565 L909 R911 A915 A917 | L445-V913 HydrophobicContact CD1-CG2 3.72Å; T565-V913 HydrophobicContact CG2-CG1 4.27Å; L909-V913 HydrophobicContact CD1-CG2 3.8Å; L909-V913 HydrophobicContact CG-CG2 4.24Å; L909-V913 WeakPolarHBondContact O-CG2 3.35Å; L909-V913 PolarHBondContact O-N 3.05Å; L909-V913 VanDerWaalsContact O-N 3.17Å; R911-V913 VanDerWaalsContact C-N 3.32Å; R911-V913 PolarHBondContact O-N 3.44Å; V913-A915 PolarHBondContact O-N 3.26Å; V913-A917 WeakPolarHBondContact O-CB 3.23Å; V913-A917 PolarHBondContact O-N 3.33Å; V913-A917 VanDerWaalsContact O-N 3.1Å |
| 914 | P | 93.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 174.9 | -24.5 | 34.2 | 0 | 0 | 0 | 113.4 | L568 L910 R911 A916 A917 Y918 | L568-P914 HydrophobicContact CD1-CB 4.32Å; L910-P914 VanDerWaalsContact O-CD 3.25Å; L910-P914 WeakPolarHBondContact O-CD 3.39Å; L910-P914 WeakPolarHBondContact O-CG 3.31Å; R911-P914 WeakPolarHBondContact O-CD 3.46Å; P914-A916 PolarHBondContact O-N 3.36Å; P914-A917 PolarHBondContact O-N 3.49Å; P914-Y918 VanDerWaalsContact O-CB 3.26Å; P914-Y918 WeakPolarHBondContact O-CB 3.48Å; P914-Y918 PolarHBondContact O-N 2.91Å |
| 915 | A | 94.3 | Very high | 94 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 5% | 0.05 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.7 | -48.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R911 V913 Y918 V919 | R911-A915 VanDerWaalsContact O-CB 3.3Å; R911-A915 WeakPolarHBondContact O-CB 3.41Å; R911-A915 PolarHBondContact O-N 3.25Å; R911-A915 VanDerWaalsContact O-N 3.12Å; V913-A915 PolarHBondContact O-N 3.26Å; A915-Y918 PolarHBondContact O-N 3.47Å; A915-V919 WeakPolarHBondContact O-CG2 3.32Å; A915-V919 PolarHBondContact O-N 3.38Å |
| 916 | A | 95.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V441 L445 S912 P914 Y918 V919 V920 | V441-A916 HydrophobicContact CG1-CB 3.68Å; L445-A916 HydrophobicContact CB-CB 4.36Å; L445-A916 HydrophobicContact CD2-CB 3.5Å; L445-A916 HydrophobicContact CG-CB 4.49Å; S912-A916 VanDerWaalsContact O-CB 3.28Å; S912-A916 WeakPolarHBondContact O-CB 3.42Å; S912-A916 PolarHBondContact O-N 3.21Å; P914-A916 PolarHBondContact O-N 3.36Å; A916-Y918 VanDerWaalsContact C-N 3.29Å; A916-Y918 PolarHBondContact O-N 2.96Å; A916-V919 PolarHBondContact O-N 2.69Å; A916-V920 WeakPolarHBondContact O-CG2 3.07Å; A916-V920 PolarHBondContact O-N 2.88Å |
| 917 | A | 94.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 30.4 Ų | 30.4 | 33% | 0.331 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T565 V913 P914 V920 L921 | T565-A917 HydrophobicContact CG2-CB 3.63Å; V913-A917 WeakPolarHBondContact O-CB 3.23Å; V913-A917 PolarHBondContact O-N 3.33Å; V913-A917 VanDerWaalsContact O-N 3.1Å; P914-A917 PolarHBondContact O-N 3.49Å; A917-V920 PolarHBondContact O-N 2.9Å; A917-L921 WeakPolarHBondContact O-CB 3.4Å; A917-L921 PolarHBondContact O-N 3.36Å |
| 918 | Y | 95.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -39.6 | -178.6 | -152.8 | -109 | 0 | 0 | 0 | 112.7 | L568 V574 P914 A915 A916 V920 L921 V922 F935 K938 L939 E942 | L568-Y918 HydrophobicContact CB-CD2 3.85Å; L568-Y918 HydrophobicContact CB-CE2 3.97Å; L568-Y918 HydrophobicContact CD1-CD2 3.9Å; L568-Y918 HydrophobicContact CD2-CE2 4.41Å; L568-Y918 HydrophobicContact CG-CD2 4.33Å; V574-Y918 HydrophobicContact CG2-CE2 4.23Å; P914-Y918 VanDerWaalsContact O-CB 3.26Å; P914-Y918 WeakPolarHBondContact O-CB 3.48Å; P914-Y918 PolarHBondContact O-N 2.91Å; A915-Y918 PolarHBondContact O-N 3.47Å; A916-Y918 VanDerWaalsContact C-N 3.29Å; A916-Y918 PolarHBondContact O-N 2.96Å; Y918-V920 VanDerWaalsContact C-N 3.33Å; Y918-V920 PolarHBondContact O-N 2.9Å; Y918-L921 HydrophobicContact CD2-CD2 4.28Å; Y918-L921 HydrophobicContact CE2-CD2 4.07Å; Y918-L921 WeakPolarHBondContact O-CB 3.36Å; Y918-L921 PolarHBondContact O-N 3.03Å; Y918-V922 HydrophobicContact CD1-CG2 3.75Å; Y918-V922 HydrophobicContact CE1-CG2 3.53Å; Y918-V922 HydrophobicContact CG-CG2 4.39Å; Y918-V922 WeakPolarHBondContact O-CB 3.42Å; Y918-V922 VanDerWaalsContact O-CG2 3.29Å; Y918-V922 WeakPolarHBondContact O-CG2 3Å; Y918-V922 PolarHBondContact O-N 2.91Å; Y918-F935 HydrophobicContact CE2-CD1 4.39Å; Y918-F935 WeakPolarHBondContact OH-CA 3.24Å; Y918-F935 WeakPolarHBondContact OH-CD1 3.41Å; Y918-F935 PolarHBondContact OH-O 3.45Å; Y918-K938 HydrophobicContact CD1-CG 4.5Å; Y918-K938 HydrophobicContact CE1-CB 4.01Å; Y918-K938 HydrophobicContact CE1-CG 3.63Å; Y918-K938 HydrophobicContact CE2-CG 3.99Å; Y918-K938 WeakPolarHBondContact OH-CB 3.39Å; Y918-K938 WeakPolarHBondContact OH-CG 3.47Å; Y918-L939 HydrophobicContact CD1-CB 4.26Å; Y918-L939 HydrophobicContact CD1-CD1 3.98Å; Y918-L939 HydrophobicContact CE1-CB 3.96Å; Y918-E942 HydrophobicContact CD1-CG 4.45Å |
| 919 | V | 95.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 174 | 165.3 | 0 | 0 | 0 | 0 | 111.5 | V20 F23 M438 A915 A916 T923 L939 | V20-V919 HydrophobicContact CG2-CG2 4.48Å; F23-V919 HydrophobicContact CD1-CG1 4.18Å; F23-V919 HydrophobicContact CD1-CG2 4.15Å; F23-V919 HydrophobicContact CD2-CG1 3.54Å; F23-V919 HydrophobicContact CE1-CG1 4.19Å; F23-V919 HydrophobicContact CE1-CG2 4.36Å; F23-V919 HydrophobicContact CE2-CG1 3.57Å; F23-V919 HydrophobicContact CG-CG1 3.86Å; F23-V919 HydrophobicContact CG-CG2 4.41Å; F23-V919 HydrophobicContact CZ-CG1 3.89Å; F23-V919 WeakPolarHBondContact CZ-O 3.39Å; M438-V919 HydrophobicContact CB-CG1 3.97Å; M438-V919 HydrophobicContact CE-CG1 4.31Å; M438-V919 HydrophobicContact CG-CG1 4.05Å; A915-V919 WeakPolarHBondContact O-CG2 3.32Å; A915-V919 PolarHBondContact O-N 3.38Å; A916-V919 PolarHBondContact O-N 2.69Å; V919-T923 PolarHBondContact O-N 3.04Å; V919-T923 PolarHBondContact O-OG1 3.1Å; V919-L939 HydrophobicContact CG2-CD1 4.4Å |
| 920 | V | 93.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | M438 A916 A917 Y918 V922 T923 V924 | M438-V920 HydrophobicContact CE-CG2 4.49Å; M438-V920 HydrophobicContact CG-CG2 4.28Å; M438-V920 HydrophobicContact SD-CG2 4.08Å; A916-V920 WeakPolarHBondContact O-CG2 3.07Å; A916-V920 PolarHBondContact O-N 2.88Å; A917-V920 PolarHBondContact O-N 2.9Å; Y918-V920 VanDerWaalsContact C-N 3.33Å; Y918-V920 PolarHBondContact O-N 2.9Å; V920-V922 PolarHBondContact O-N 2.93Å; V920-T923 WeakPolarHBondContact O-CB 3.47Å; V920-T923 PolarHBondContact O-N 3.48Å; V920-V924 WeakPolarHBondContact O-CG2 3.4Å; V920-V924 PolarHBondContact O-N 3.25Å |
| 921 | L | 93.3 | Very high | 90.2 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -52 | -178.5 | -169 | 104.1 | 0 | 0 | 0 | 112.4 | L568 A569 A917 Y918 T923 V924 L925 F935 | L568-L921 WeakPolarHBondContact O-CD2 3.37Å; A569-L921 HydrophobicContact CB-CD1 3.49Å; A569-L921 VanDerWaalsContact CB-CD1 3.49Å; A917-L921 WeakPolarHBondContact O-CB 3.4Å; A917-L921 PolarHBondContact O-N 3.36Å; Y918-L921 HydrophobicContact CD2-CD2 4.28Å; Y918-L921 HydrophobicContact CE2-CD2 4.07Å; Y918-L921 WeakPolarHBondContact O-CB 3.36Å; Y918-L921 PolarHBondContact O-N 3.03Å; L921-T923 PolarHBondContact O-N 3.44Å; L921-V924 PolarHBondContact O-N 3.47Å; L921-L925 HydrophobicContact CD1-CD1 4.38Å; L921-L925 HydrophobicContact CD2-CD1 3.61Å; L921-L925 HydrophobicContact CG-CD1 3.75Å; L921-L925 HydrophobicContact CG-CG 4.3Å; L921-L925 WeakPolarHBondContact O-CB 3.28Å; L921-L925 WeakPolarHBondContact O-CG 3.32Å; L921-L925 PolarHBondContact O-N 3.33Å; L921-F935 HydrophobicContact CD2-CD1 3.95Å; L921-F935 HydrophobicContact CD2-CE1 3.65Å |
| 922 | V | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -33.1 | -179.4 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | F27 Y918 V920 L925 R926 I931 F935 L939 | F27-V922 HydrophobicContact CD2-CG1 3.68Å; F27-V922 HydrophobicContact CE1-CG1 4.12Å; F27-V922 HydrophobicContact CE2-CG1 3.09Å; F27-V922 HydrophobicContact CG-CG1 4.41Å; F27-V922 HydrophobicContact CZ-CG1 3.34Å; Y918-V922 HydrophobicContact CD1-CG2 3.75Å; Y918-V922 HydrophobicContact CE1-CG2 3.53Å; Y918-V922 HydrophobicContact CG-CG2 4.39Å; Y918-V922 WeakPolarHBondContact O-CB 3.42Å; Y918-V922 VanDerWaalsContact O-CG2 3.29Å; Y918-V922 WeakPolarHBondContact O-CG2 3Å; Y918-V922 PolarHBondContact O-N 2.91Å; V920-V922 PolarHBondContact O-N 2.93Å; V922-L925 CarbonylContact O-C 3.53Å; V922-R926 WeakPolarHBondContact O-CA 3.42Å; V922-R926 WeakPolarHBondContact O-CB 3.24Å; V922-R926 PolarHBondContact O-N 3.49Å; V922-I931 HydrophobicContact CG1-CD1 4.04Å; V922-F935 HydrophobicContact CG2-CB 4.33Å; V922-L939 HydrophobicContact CG1-CD2 4.24Å |
| 923 | T | 91.6 | Very high | 88.3 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | F23 M434 M438 V919 V920 L921 R926 | F23-T923 WeakPolarHBondContact CE2-OG1 3.36Å; F23-T923 VanDerWaalsContact CZ-OG1 3.29Å; F23-T923 WeakPolarHBondContact CZ-OG1 3.43Å; M434-T923 HydrophobicContact CE-CG2 3.99Å; M438-T923 HydrophobicContact CE-CG2 3.62Å; M438-T923 WeakPolarHBondContact CE-OG1 3.38Å; V919-T923 PolarHBondContact O-N 3.04Å; V919-T923 PolarHBondContact O-OG1 3.1Å; V920-T923 WeakPolarHBondContact O-CB 3.47Å; V920-T923 PolarHBondContact O-N 3.48Å; L921-T923 PolarHBondContact O-N 3.44Å; T923-R926 VanDerWaalsContact O-CD 3.31Å; T923-R926 WeakPolarHBondContact O-CD 3.43Å; T923-R926 WeakPolarHBondContact O-CG 3.31Å; T923-R926 PolarHBondContact O-NH1 3.39Å |
| 924 | V | 90.6 | Very high | 87.9 | Confident | 106 Ų | 106 | 46.1 Ų | 46.1 | 64% | 0.642 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66 | -43.7 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | V920 L921 R926 | V920-V924 WeakPolarHBondContact O-CG2 3.4Å; V920-V924 PolarHBondContact O-N 3.25Å; L921-V924 PolarHBondContact O-N 3.47Å; V924-R926 VanDerWaalsContact C-N 3.32Å; V924-R926 PolarHBondContact O-N 3.49Å |
| 925 | L | 88.1 | Confident | 87.7 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 12.3 | -177.2 | -61.9 | -178.5 | 0 | 0 | 0 | 114.1 | L921 V922 Y927 H928 F935 | L921-L925 HydrophobicContact CD1-CD1 4.38Å; L921-L925 HydrophobicContact CD2-CD1 3.61Å; L921-L925 HydrophobicContact CG-CD1 3.75Å; L921-L925 HydrophobicContact CG-CG 4.3Å; L921-L925 WeakPolarHBondContact O-CB 3.28Å; L921-L925 WeakPolarHBondContact O-CG 3.32Å; L921-L925 PolarHBondContact O-N 3.33Å; V922-L925 CarbonylContact O-C 3.53Å; L925-Y927 PolarHBondContact O-N 2.8Å; L925-H928 HydrophobicContact CB-CB 4.07Å; L925-H928 WeakPolarHBondContact O-CB 3.48Å; L925-H928 PolarHBondContact O-N 3.03Å; L925-F935 HydrophobicContact CD1-CD1 4.38Å; L925-F935 HydrophobicContact CD1-CE1 3.69Å; L925-F935 HydrophobicContact CD1-CE2 4.11Å; L925-F935 HydrophobicContact CD1-CZ 3.53Å |
| 926 | R | 85.1 | Confident | 87.3 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.6 | -174.2 | 73.5 | -171.9 | 176.4 | -75.1 | 0.2 | 115.4 | Y429 V922 T923 V924 | Y429-R926 HydrophobicContact CD2-CB 4.09Å; Y429-R926 HydrophobicContact CD2-CG 4.04Å; Y429-R926 HydrophobicContact CE1-CB 4.41Å; Y429-R926 HydrophobicContact CE2-CB 3.57Å; Y429-R926 HydrophobicContact CE2-CG 3.81Å; Y429-R926 WeakPolarHBondContact CE2-O 3.4Å; Y429-R926 PolarHBondContact OH-O 3.47Å; V922-R926 WeakPolarHBondContact O-CA 3.42Å; V922-R926 WeakPolarHBondContact O-CB 3.24Å; V922-R926 PolarHBondContact O-N 3.49Å; T923-R926 VanDerWaalsContact O-CD 3.31Å; T923-R926 WeakPolarHBondContact O-CD 3.43Å; T923-R926 WeakPolarHBondContact O-CG 3.31Å; T923-R926 PolarHBondContact O-NH1 3.39Å; V924-R926 VanDerWaalsContact C-N 3.32Å; V924-R926 PolarHBondContact O-N 3.49Å |
| 927 | Y | 82 | Confident | 86.9 | Confident | 165 Ų | 165 | 45.8 Ų | 45.8 | 65% | 0.647 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 11.2 | 175.3 | -56.5 | -54.5 | 0 | 0 | 0 | 113.2 | Y429 L925 | Y429-Y927 HydrophobicContact CD2-CE1 4.06Å; Y429-Y927 HydrophobicContact CE2-CD1 4.18Å; Y429-Y927 AromaticContact CE2-CE1 3.87Å; Y429-Y927 HydrophobicContact CE2-CE1 3.87Å; L925-Y927 PolarHBondContact O-N 2.8Å |
| 928 | H | 82.7 | Confident | 86.7 | Confident | 71 Ų | 71 | 43.9 Ų | 43.9 | 33% | 0.329 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -69.9 | 146.9 | 176.9 | -167.5 | -94.6 | 0 | 0 | 0 | 111 | L925 F930 I931 F935 | L925-H928 HydrophobicContact CB-CB 4.07Å; L925-H928 WeakPolarHBondContact O-CB 3.48Å; L925-H928 PolarHBondContact O-N 3.03Å; H928-F930 VanDerWaalsContact C-N 3.26Å; H928-F930 AromaticContact CE1-CD2 3.66Å; H928-F930 PolarHBondContact ND1-N 3.32Å; H928-F930 PolarHBondContact O-N 2.84Å; H928-I931 VanDerWaalsContact O-CB 3.3Å; H928-I931 WeakPolarHBondContact O-CB 3.41Å; H928-I931 VanDerWaalsContact O-CG2 3.24Å; H928-I931 WeakPolarHBondContact O-CG2 3.48Å; H928-I931 PolarHBondContact O-N 3.02Å; H928-F935 AromaticContact ND1-CE2 3.71Å |
| 929 | L | 77.5 | Confident | 86.6 | Confident | 149 Ų | 149 | 43.9 Ų | 43.9 | 78% | 0.78 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -40 | -176.4 | -174 | 68.2 | 0 | 0 | 0 | 112.8 | ||
| 930 | F | 80.6 | Confident | 86.3 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 38% | 0.382 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 16.4 | -178.7 | -57.3 | -58.6 | 0 | 0 | 0 | 114.6 | H928 W932 S933 V934 F935 | H928-F930 VanDerWaalsContact C-N 3.26Å; H928-F930 AromaticContact CE1-CD2 3.66Å; H928-F930 PolarHBondContact ND1-N 3.32Å; H928-F930 PolarHBondContact O-N 2.84Å; F930-W932 VanDerWaalsContact C-N 3.25Å; F930-W932 PolarHBondContact O-N 3.04Å; F930-S933 PolarHBondContact O-N 3.16Å; F930-V934 HydrophobicContact CB-CB 4.15Å; F930-V934 HydrophobicContact CB-CG2 4Å; F930-V934 HydrophobicContact CG-CG2 4.5Å; F930-V934 PolarHBondContact O-N 2.95Å; F930-F935 HydrophobicContact CB-CE2 4.45Å; F930-F935 WeakPolarHBondContact O-CD2 3.36Å; F930-F935 PolarHBondContact O-N 3.21Å |
| 931 | I | 83.9 | Confident | 86.2 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -57.3 | -40.7 | -178.4 | -170 | 59.2 | 0 | 0 | 0 | 111.7 | F27 V922 H928 F935 S936 | F27-I931 HydrophobicContact CE2-CD1 4.02Å; F27-I931 HydrophobicContact CE2-CG1 4.31Å; F27-I931 HydrophobicContact CZ-CD1 3.75Å; F27-I931 HydrophobicContact CZ-CG1 3.96Å; V922-I931 HydrophobicContact CG1-CD1 4.04Å; H928-I931 VanDerWaalsContact O-CB 3.3Å; H928-I931 WeakPolarHBondContact O-CB 3.41Å; H928-I931 VanDerWaalsContact O-CG2 3.24Å; H928-I931 WeakPolarHBondContact O-CG2 3.48Å; H928-I931 PolarHBondContact O-N 3.02Å; I931-F935 HydrophobicContact CD1-CB 3.87Å; I931-S936 VanDerWaalsContact O-CB 3.26Å; I931-S936 WeakPolarHBondContact O-CB 3.29Å; I931-S936 PolarHBondContact O-N 3.47Å; I931-S936 PolarHBondContact O-OG 2.96Å |
| 932 | W | 77.5 | Confident | 86.2 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 29% | 0.288 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -86 | -32.7 | -177.4 | -64.1 | 116.7 | 0 | 0 | 0 | 113.8 | F28 P29 F130 Y429 F930 P937 | F28-W932 AromaticContact CD1-CZ3 3.89Å; F28-W932 HydrophobicContact CD1-CZ3 3.89Å; F28-W932 HydrophobicContact CE1-CZ3 4.01Å; P29-W932 HydrophobicContact CG-CH2 3.85Å; P29-W932 HydrophobicContact CG-CZ2 4.19Å; F130-W932 AromaticContact CD2-CE3 3.9Å; F130-W932 HydrophobicContact CD2-CE3 3.9Å; F130-W932 HydrophobicContact CE2-CB 4.16Å; F130-W932 HydrophobicContact CE2-CE3 4.33Å; F130-W932 WeakPolarHBondContact CE2-O 3.39Å; F130-W932 WeakPolarHBondContact CZ-O 3.4Å; Y429-W932 HydrophobicContact CE1-CH2 4.28Å; Y429-W932 HydrophobicContact CE1-CZ2 4.38Å; F930-W932 VanDerWaalsContact C-N 3.25Å; F930-W932 PolarHBondContact O-N 3.04Å; W932-P937 WeakPolarHBondContact O-CD 3.44Å |
| 933 | S | 73.6 | Confident | 86.2 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -86.1 | -30.6 | -176.3 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | S280 F930 | S280-S933 WeakPolarHBondContact OG-CB 3.25Å; F930-S933 PolarHBondContact O-N 3.16Å |
| 934 | V | 85.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -120.4 | -55 | -172.3 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | V574 F930 K938 | V574-V934 HydrophobicContact CB-CG1 3.79Å; V574-V934 HydrophobicContact CG1-CG1 3.55Å; F930-V934 HydrophobicContact CB-CB 4.15Å; F930-V934 HydrophobicContact CB-CG2 4Å; F930-V934 HydrophobicContact CG-CG2 4.5Å; F930-V934 PolarHBondContact O-N 2.95Å; V934-K938 WeakPolarHBondContact O-CB 3.48Å; V934-K938 PolarHBondContact O-N 2.72Å |
| 935 | F | 89.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -75.4 | -40.4 | -170.8 | -67.7 | -77.7 | 0 | 0 | 0 | 113.5 | V574 Y918 L921 V922 L925 H928 F930 I931 K938 L939 | V574-F935 HydrophobicContact CG2-CE1 4.18Å; Y918-F935 HydrophobicContact CE2-CD1 4.39Å; Y918-F935 WeakPolarHBondContact OH-CA 3.24Å; Y918-F935 WeakPolarHBondContact OH-CD1 3.41Å; Y918-F935 PolarHBondContact OH-O 3.45Å; L921-F935 HydrophobicContact CD2-CD1 3.95Å; L921-F935 HydrophobicContact CD2-CE1 3.65Å; V922-F935 HydrophobicContact CG2-CB 4.33Å; L925-F935 HydrophobicContact CD1-CD1 4.38Å; L925-F935 HydrophobicContact CD1-CE1 3.69Å; L925-F935 HydrophobicContact CD1-CE2 4.11Å; L925-F935 HydrophobicContact CD1-CZ 3.53Å; H928-F935 AromaticContact ND1-CE2 3.71Å; F930-F935 HydrophobicContact CB-CE2 4.45Å; F930-F935 WeakPolarHBondContact O-CD2 3.36Å; F930-F935 PolarHBondContact O-N 3.21Å; I931-F935 HydrophobicContact CD1-CB 3.87Å; F935-K938 PolarHBondContact O-N 3.39Å; F935-L939 WeakPolarHBondContact O-CB 3.24Å; F935-L939 PolarHBondContact O-N 3.41Å |
| 936 | S | 86.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | -179.6 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | F27 I931 L939 L940 | F27-S936 VanDerWaalsContact CE1-OG 3.29Å; F27-S936 WeakPolarHBondContact CE1-OG 3.22Å; F27-S936 WeakPolarHBondContact CZ-OG 3.28Å; I931-S936 VanDerWaalsContact O-CB 3.26Å; I931-S936 WeakPolarHBondContact O-CB 3.29Å; I931-S936 PolarHBondContact O-N 3.47Å; I931-S936 PolarHBondContact O-OG 2.96Å; S936-L939 WeakPolarHBondContact O-CB 3.47Å; S936-L939 PolarHBondContact O-N 3.05Å; S936-L940 PolarHBondContact O-N 3.16Å |
| 937 | P | 86.5 | Confident | 86.9 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 172.6 | -28.4 | 38.5 | 0 | 0 | 0 | 112.4 | F130 N844 W932 L939 L940 Y941 | F130-P937 HydrophobicContact CE1-CG 3.94Å; F130-P937 HydrophobicContact CZ-CG 4.12Å; N844-P937 WeakPolarHBondContact O-CB 3.35Å; W932-P937 WeakPolarHBondContact O-CD 3.44Å; P937-L939 VanDerWaalsContact C-N 3.29Å; P937-L939 PolarHBondContact O-N 3.1Å; P937-L940 WeakPolarHBondContact O-CB 3.3Å; P937-L940 PolarHBondContact O-N 3.34Å; P937-Y941 VanDerWaalsContact O-CD2 3.3Å; P937-Y941 WeakPolarHBondContact O-CD2 3.4Å; P937-Y941 PolarHBondContact O-N 2.97Å |
| 938 | K | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 177.2 | 175.6 | 60 | 168.3 | 176.6 | 0 | 112.5 | V574 E577 N844 Y918 V934 F935 L940 Y941 E942 | V574-K938 HydrophobicContact CG1-CB 3.78Å; V574-K938 HydrophobicContact CG1-CD 4.47Å; V574-K938 HydrophobicContact CG1-CG 3.81Å; E577-K938 VanDerWaalsContact CD-NZ 3.29Å; E577-K938 IonicContact OE1-NZ 3.74Å; E577-K938 PolarHBondContact OE1-NZ 3.33Å; E577-K938 WeakPolarHBondContact OE2-CE 3.44Å; E577-K938 IonicContact OE2-NZ 3.93Å; E577-K938 PolarHBondContact OE2-NZ 3.17Å; N844-K938 HydrophobicContact CB-CB 4.38Å; N844-K938 HydrophobicContact CB-CD 4.28Å; N844-K938 WeakPolarHBondContact OD1-CD 3.43Å; N844-K938 PolarHBondContact OD1-NZ 3.49Å; Y918-K938 HydrophobicContact CD1-CG 4.5Å; Y918-K938 HydrophobicContact CE1-CB 4.01Å; Y918-K938 HydrophobicContact CE1-CG 3.63Å; Y918-K938 HydrophobicContact CE2-CG 3.99Å; Y918-K938 WeakPolarHBondContact OH-CB 3.39Å; Y918-K938 WeakPolarHBondContact OH-CG 3.47Å; V934-K938 WeakPolarHBondContact O-CB 3.48Å; V934-K938 PolarHBondContact O-N 2.72Å; F935-K938 PolarHBondContact O-N 3.39Å; K938-L940 VanDerWaalsContact C-N 3.29Å; K938-L940 PolarHBondContact O-N 2.65Å; K938-Y941 WeakPolarHBondContact O-CB 3.36Å; K938-Y941 PolarHBondContact O-N 3.19Å; K938-Y941 VanDerWaalsContact O-N 3.12Å; K938-E942 HydrophobicContact CD-CG 4.14Å; K938-E942 WeakPolarHBondContact CE-OE1 3.4Å; K938-E942 HydrophobicContact CG-CG 4.4Å; K938-E942 IonicContact NZ-OE1 3.96Å; K938-E942 PolarHBondContact NZ-OE1 3.3Å; K938-E942 PolarHBondContact O-N 2.83Å |
| 939 | L | 92 | Very high | 88 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.2 | 179.6 | 66.9 | 0 | 0 | 0 | 111.7 | F23 L24 F27 Y918 V919 V922 F935 S936 P937 E942 S943 | F23-L939 HydrophobicContact CD1-CD2 4.24Å; F23-L939 HydrophobicContact CE1-CD1 4.32Å; F23-L939 HydrophobicContact CE1-CD2 3.8Å; L24-L939 HydrophobicContact CD2-CD1 4.32Å; L24-L939 HydrophobicContact CD2-CD2 3.43Å; L24-L939 VanDerWaalsContact CD2-CD2 3.43Å; L24-L939 HydrophobicContact CD2-CG 3.55Å; F27-L939 HydrophobicContact CD1-CD2 3.55Å; F27-L939 HydrophobicContact CE1-CD2 3.8Å; F27-L939 HydrophobicContact CG-CD2 4.07Å; Y918-L939 HydrophobicContact CD1-CB 4.26Å; Y918-L939 HydrophobicContact CD1-CD1 3.98Å; Y918-L939 HydrophobicContact CE1-CB 3.96Å; V919-L939 HydrophobicContact CG2-CD1 4.4Å; V922-L939 HydrophobicContact CG1-CD2 4.24Å; F935-L939 WeakPolarHBondContact O-CB 3.24Å; F935-L939 PolarHBondContact O-N 3.41Å; S936-L939 WeakPolarHBondContact O-CB 3.47Å; S936-L939 PolarHBondContact O-N 3.05Å; P937-L939 VanDerWaalsContact C-N 3.29Å; P937-L939 PolarHBondContact O-N 3.1Å; L939-E942 PolarHBondContact O-N 2.76Å; L939-S943 WeakPolarHBondContact O-CB 3.31Å; L939-S943 PolarHBondContact O-N 3.34Å; L939-S943 PolarHBondContact O-OG 3.13Å |
| 940 | L | 89.1 | Confident | 88.8 | Confident | 30 Ų | 30 | 25.1 Ų | 25.1 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 173.8 | -65.7 | 172.6 | 0 | 0 | 0 | 111.4 | F28 V134 S936 P937 K938 S943 M944 | F28-L940 HydrophobicContact CE2-CD2 3.61Å; F28-L940 HydrophobicContact CE2-CG 4.12Å; F28-L940 HydrophobicContact CZ-CD1 4.09Å; F28-L940 HydrophobicContact CZ-CD2 3.87Å; F28-L940 HydrophobicContact CZ-CG 3.86Å; V134-L940 HydrophobicContact CG2-CD1 4.44Å; S936-L940 PolarHBondContact O-N 3.16Å; P937-L940 WeakPolarHBondContact O-CB 3.3Å; P937-L940 PolarHBondContact O-N 3.34Å; K938-L940 VanDerWaalsContact C-N 3.29Å; K938-L940 PolarHBondContact O-N 2.65Å; L940-S943 PolarHBondContact O-N 3.38Å; L940-M944 PolarHBondContact O-N 3.17Å |
| 941 | Y | 91.2 | Very high | 89.4 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 175.7 | -83.7 | -81.4 | 0 | 0 | 0 | 112.4 | F837 S843 N844 N845 T848 V849 T874 Y875 P937 K938 S943 M944 H945 | F837-Y941 HydrophobicContact CE2-CD1 4.4Å; F837-Y941 HydrophobicContact CE2-CE1 4.22Å; F837-Y941 AromaticContact CZ-CD1 3.89Å; F837-Y941 HydrophobicContact CZ-CD1 3.89Å; F837-Y941 AromaticContact CZ-CE1 3.68Å; F837-Y941 HydrophobicContact CZ-CE1 3.68Å; S843-Y941 VanDerWaalsContact O-CZ 3.31Å; S843-Y941 PolarHBondContact O-OH 2.96Å; N844-Y941 WeakPolarHBondContact O-CE2 3.3Å; N845-Y941 PolarHBondContact O-OH 3.41Å; T848-Y941 PolarHBondContact OG1-OH 2.75Å; V849-Y941 HydrophobicContact CG2-CE1 4.45Å; V849-Y941 VanDerWaalsContact CG2-OH 3.26Å; V849-Y941 WeakPolarHBondContact CG2-OH 3.4Å; T874-Y941 HydrophobicContact CG2-CE1 4.11Å; Y875-Y941 HydrophobicContact CE1-CD1 4.25Å; Y875-Y941 AromaticContact CZ-CD1 3.88Å; Y875-Y941 WeakPolarHBondContact OH-CA 3.4Å; Y875-Y941 WeakPolarHBondContact OH-CD1 3.22Å; Y875-Y941 PolarHBondContact OH-O 2.9Å; Y875-Y941 VanDerWaalsContact OH-O 3.13Å; P937-Y941 VanDerWaalsContact O-CD2 3.3Å; P937-Y941 WeakPolarHBondContact O-CD2 3.4Å; P937-Y941 PolarHBondContact O-N 2.97Å; K938-Y941 WeakPolarHBondContact O-CB 3.36Å; K938-Y941 PolarHBondContact O-N 3.19Å; K938-Y941 VanDerWaalsContact O-N 3.12Å; Y941-S943 VanDerWaalsContact C-N 3.34Å; Y941-M944 PolarHBondContact O-N 3.44Å; Y941-H945 WeakPolarHBondContact O-CB 3.49Å; Y941-H945 PolarHBondContact O-CD2 2.61Å; Y941-H945 PolarHBondContact O-N 3.32Å |
| 942 | E | 92.5 | Very high | 89.8 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 2% | 0.023 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.6 | -73.7 | -55.8 | 141.7 | 0 | 0 | 111.8 | Y918 K938 L939 M944 H945 L946 | Y918-E942 HydrophobicContact CD1-CG 4.45Å; K938-E942 HydrophobicContact CD-CG 4.14Å; K938-E942 WeakPolarHBondContact CE-OE1 3.4Å; K938-E942 HydrophobicContact CG-CG 4.4Å; K938-E942 IonicContact NZ-OE1 3.96Å; K938-E942 PolarHBondContact NZ-OE1 3.3Å; K938-E942 PolarHBondContact O-N 2.83Å; L939-E942 PolarHBondContact O-N 2.76Å; E942-M944 PolarHBondContact O-N 3.02Å; E942-H945 PolarHBondContact O-N 2.92Å; E942-L946 WeakPolarHBondContact O-CB 3.42Å; E942-L946 PolarHBondContact O-N 3.39Å |
| 943 | S | 92.4 | Very high | 90.6 | Very high | 19 Ų | 19 | 19.2 Ų | 19.2 | 13% | 0.133 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 177 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | V20 L939 L940 Y941 L946 L947 | V20-S943 VanDerWaalsContact CG1-OG 3.22Å; V20-S943 WeakPolarHBondContact CG1-OG 3.25Å; L939-S943 WeakPolarHBondContact O-CB 3.31Å; L939-S943 PolarHBondContact O-N 3.34Å; L939-S943 PolarHBondContact O-OG 3.13Å; L940-S943 PolarHBondContact O-N 3.38Å; Y941-S943 VanDerWaalsContact C-N 3.34Å; S943-L946 PolarHBondContact O-N 3.4Å; S943-L947 PolarHBondContact O-N 3.22Å; S943-L947 VanDerWaalsContact O-N 3.11Å |
| 944 | M | 91.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 21.8 Ų | 21.8 | 37% | 0.374 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -70.5 | -38.6 | 175.6 | -76.4 | -57.8 | -146.4 | 0 | 0 | 112.6 | Y875 L940 Y941 E942 L946 L947 L948 | Y875-M944 HydrophobicContact CE2-CB 3.85Å; Y875-M944 WeakPolarHBondContact OH-CB 3.4Å; L940-M944 PolarHBondContact O-N 3.17Å; Y941-M944 PolarHBondContact O-N 3.44Å; E942-M944 PolarHBondContact O-N 3.02Å; M944-L946 VanDerWaalsContact C-N 3.29Å; M944-L946 PolarHBondContact O-N 2.83Å; M944-L947 PolarHBondContact O-N 3.29Å; M944-L947 HydrophobicContact SD-CD2 4.08Å; M944-L948 WeakPolarHBondContact O-CG 3.36Å; M944-L948 PolarHBondContact O-N 3.32Å |
| 945 | H | 92.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58 | -41.8 | 171.7 | -90.9 | -62.5 | 0 | 0 | 0 | 112.3 | Q834 Y875 Y941 E942 L948 T949 | Q834-H945 PolarHBondContact OE1-CE1 3.02Å; Y875-H945 AromaticContact CD1-CE1 3.52Å; Y875-H945 AromaticContact CD1-ND1 3.68Å; Y875-H945 AromaticContact CD1-NE2 3.94Å; Y875-H945 AromaticContact CE1-CD2 3.61Å; Y875-H945 AromaticContact CE1-CE1 3.56Å; Y875-H945 AromaticContact CE1-CG 3.72Å; Y875-H945 AromaticContact CE1-ND1 3.68Å; Y875-H945 AromaticContact CE1-NE2 3.52Å; Y941-H945 WeakPolarHBondContact O-CB 3.49Å; Y941-H945 PolarHBondContact O-CD2 2.61Å; Y941-H945 PolarHBondContact O-N 3.32Å; E942-H945 PolarHBondContact O-N 2.92Å; H945-L948 PolarHBondContact O-N 3.24Å; H945-T949 WeakPolarHBondContact O-CB 3.23Å; H945-T949 PolarHBondContact O-N 3.24Å; H945-T949 PolarHBondContact O-OG1 2.72Å |
| 946 | L | 93.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 176.6 | -174.6 | 69.4 | 0 | 0 | 0 | 111 | L13 E16 V17 V20 R911 E942 S943 M944 L948 T949 A950 | L13-L946 HydrophobicContact CD2-CD1 3.68Å; E16-L946 HydrophobicContact CB-CD2 4.15Å; E16-L946 HydrophobicContact CG-CD1 4.48Å; E16-L946 HydrophobicContact CG-CD2 3.88Å; V17-L946 HydrophobicContact CG2-CB 4.44Å; V17-L946 HydrophobicContact CG2-CD2 3.85Å; V17-L946 HydrophobicContact CG2-CG 3.75Å; V20-L946 HydrophobicContact CB-CD2 4.43Å; V20-L946 HydrophobicContact CG2-CD2 3.84Å; R911-L946 HydrophobicContact CB-CD1 4.42Å; E942-L946 WeakPolarHBondContact O-CB 3.42Å; E942-L946 PolarHBondContact O-N 3.39Å; S943-L946 PolarHBondContact O-N 3.4Å; M944-L946 VanDerWaalsContact C-N 3.29Å; M944-L946 PolarHBondContact O-N 2.83Å; L946-L948 PolarHBondContact O-N 3.1Å; L946-T949 PolarHBondContact O-N 3.01Å; L946-A950 PolarHBondContact O-N 3.19Å |
| 947 | L | 93.8 | Very high | 91.5 | Very high | 90 Ų | 90 | 26 Ų | 26 | 47% | 0.471 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59 | -47.3 | 176.6 | 179.6 | 65.7 | 0 | 0 | 0 | 112.2 | V17 S943 M944 T949 A950 G951 | V17-L947 HydrophobicContact CG1-CD1 4.15Å; S943-L947 PolarHBondContact O-N 3.22Å; S943-L947 VanDerWaalsContact O-N 3.11Å; M944-L947 PolarHBondContact O-N 3.29Å; M944-L947 HydrophobicContact SD-CD2 4.08Å; L947-T949 PolarHBondContact O-N 2.83Å; L947-A950 WeakPolarHBondContact O-CB 3.4Å; L947-A950 PolarHBondContact O-N 2.72Å; L947-G951 PolarHBondContact O-N 2.97Å; L947-G951 VanDerWaalsContact O-N 3.09Å |
| 948 | L | 93.1 | Very high | 91.2 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.6 | -70.3 | 174.1 | 0 | 0 | 0 | 111.8 | Y875 M944 H945 L946 G951 V952 | Y875-L948 HydrophobicContact CD1-CD1 3.86Å; Y875-L948 HydrophobicContact CD2-CD1 3.46Å; Y875-L948 VanDerWaalsContact CD2-CD1 3.46Å; Y875-L948 HydrophobicContact CE2-CD1 4.19Å; Y875-L948 HydrophobicContact CG-CD1 3.25Å; M944-L948 WeakPolarHBondContact O-CG 3.36Å; M944-L948 PolarHBondContact O-N 3.32Å; H945-L948 PolarHBondContact O-N 3.24Å; L946-L948 PolarHBondContact O-N 3.1Å; L948-G951 WeakPolarHBondContact O-CA 3.33Å; L948-G951 PolarHBondContact O-N 2.74Å; L948-V952 PolarHBondContact O-N 3.02Å |
| 949 | T | 93.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 177 | -54.8 | 0 | 0 | 0 | 0 | 111 | L13 L907 R911 H945 L946 L947 G951 V952 C953 | L13-T949 HydrophobicContact CD1-CG2 3.9Å; L907-T949 HydrophobicContact CD1-CG2 4.46Å; L907-T949 HydrophobicContact CD2-CG2 4.14Å; L907-T949 HydrophobicContact CG-CG2 3.84Å; R911-T949 HydrophobicContact CB-CG2 4.4Å; R911-T949 HydrophobicContact CG-CG2 3.81Å; R911-T949 WeakPolarHBondContact CG-OG1 3.46Å; H945-T949 WeakPolarHBondContact O-CB 3.23Å; H945-T949 PolarHBondContact O-N 3.24Å; H945-T949 PolarHBondContact O-OG1 2.72Å; L946-T949 PolarHBondContact O-N 3.01Å; L947-T949 PolarHBondContact O-N 2.83Å; T949-G951 PolarHBondContact O-N 3.41Å; T949-V952 PolarHBondContact O-N 3.27Å; T949-V952 VanDerWaalsContact O-N 3.11Å; T949-C953 PolarHBondContact O-N 3.08Å; T949-C953 PolarHBondContact O-SG 2.78Å; T949-C953 VanDerWaalsContact O-SG 3.41Å |
| 950 | A | 94.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L13 I14 L946 L947 C953 L954 | L13-A950 HydrophobicContact CB-CB 3.97Å; I14-A950 HydrophobicContact CG1-CB 4.34Å; L946-A950 PolarHBondContact O-N 3.19Å; L947-A950 WeakPolarHBondContact O-CB 3.4Å; L947-A950 PolarHBondContact O-N 2.72Å; A950-C953 PolarHBondContact O-N 2.83Å; A950-L954 PolarHBondContact O-N 3.41Å; A950-L954 VanDerWaalsContact O-N 3.15Å |
| 951 | G | 93.3 | Very high | 88.6 | Confident | 36 Ų | 36 | 32.2 Ų | 32.2 | 37% | 0.371 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L947 L948 T949 L954 | L947-G951 PolarHBondContact O-N 2.97Å; L947-G951 VanDerWaalsContact O-N 3.09Å; L948-G951 WeakPolarHBondContact O-CA 3.33Å; L948-G951 PolarHBondContact O-N 2.74Å; T949-G951 PolarHBondContact O-N 3.41Å; G951-L954 WeakPolarHBondContact O-CB 3.34Å; G951-L954 PolarHBondContact O-N 3.48Å |
| 952 | V | 92.9 | Very high | 86.7 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | L879 A882 V886 L907 L948 T949 L954 V955 F956 | L879-V952 HydrophobicContact CD1-CG2 3.72Å; A882-V952 HydrophobicContact CB-CG1 4.03Å; A882-V952 HydrophobicContact CB-CG2 4.22Å; V886-V952 HydrophobicContact CG2-CG1 4.14Å; L907-V952 HydrophobicContact CD2-CG1 4.23Å; L948-V952 PolarHBondContact O-N 3.02Å; T949-V952 PolarHBondContact O-N 3.27Å; T949-V952 VanDerWaalsContact O-N 3.11Å; V952-L954 PolarHBondContact O-N 3.31Å; V952-V955 WeakPolarHBondContact O-CA 3.29Å; V952-V955 VanDerWaalsContact O-CB 3.31Å; V952-V955 WeakPolarHBondContact O-CB 3.33Å; V952-V955 PolarHBondContact O-N 2.84Å; V952-F956 HydrophobicContact CG1-CD2 4.01Å; V952-F956 HydrophobicContact CG1-CE2 3.81Å; V952-F956 WeakPolarHBondContact O-CD2 3.35Å; V952-F956 PolarHBondContact O-N 2.85Å; V952-F956 VanDerWaalsContact O-N 3.12Å |
| 953 | C | 93 | Very high | 84.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -30 | 175.8 | -73 | 0 | 0 | 0 | 0 | 112.9 | C10 L13 C904 T949 A950 V955 F956 I957 | C10-C953 HydrophobicContact CB-CB 3.89Å; L13-C953 HydrophobicContact CD1-CB 4.3Å; L13-C953 VanDerWaalsContact CD1-SG 3.58Å; C904-C953 VanDerWaalsContact SG-SG 3.64Å; T949-C953 PolarHBondContact O-N 3.08Å; T949-C953 PolarHBondContact O-SG 2.78Å; T949-C953 VanDerWaalsContact O-SG 3.41Å; A950-C953 PolarHBondContact O-N 2.83Å; C953-V955 VanDerWaalsContact C-N 3.3Å; C953-V955 PolarHBondContact O-N 3.45Å; C953-F956 WeakPolarHBondContact O-CB 3.46Å; C953-F956 PolarHBondContact O-N 3.28Å; C953-I957 PolarHBondContact O-N 2.84Å |
| 954 | L | 91.9 | Very high | 81.9 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 170 | -69.1 | 168.8 | 0 | 0 | 0 | 111.7 | C10 I14 A950 G951 V952 I957 T958 | C10-L954 VanDerWaalsContact SG-CD2 3.54Å; I14-L954 HydrophobicContact CD1-CD2 4.37Å; A950-L954 PolarHBondContact O-N 3.41Å; A950-L954 VanDerWaalsContact O-N 3.15Å; G951-L954 WeakPolarHBondContact O-CB 3.34Å; G951-L954 PolarHBondContact O-N 3.48Å; V952-L954 PolarHBondContact O-N 3.31Å; L954-I957 HydrophobicContact CD2-CD1 4.27Å; L954-I957 WeakPolarHBondContact O-CB 3.43Å; L954-I957 PolarHBondContact O-N 3.47Å; L954-T958 PolarHBondContact O-N 3.31Å |
| 955 | V | 87.4 | Confident | 79.2 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 175.2 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | V886 V952 C953 I957 T958 M959 | V886-V955 HydrophobicContact CG1-CG1 4.12Å; V952-V955 WeakPolarHBondContact O-CA 3.29Å; V952-V955 VanDerWaalsContact O-CB 3.31Å; V952-V955 WeakPolarHBondContact O-CB 3.33Å; V952-V955 PolarHBondContact O-N 2.84Å; C953-V955 VanDerWaalsContact C-N 3.3Å; C953-V955 PolarHBondContact O-N 3.45Å; V955-I957 VanDerWaalsContact C-N 3.31Å; V955-I957 PolarHBondContact O-N 3.19Å; V955-T958 PolarHBondContact O-N 3.17Å; V955-T958 VanDerWaalsContact O-N 3.16Å; V955-T958 PolarHBondContact O-OG1 3.4Å; V955-M959 WeakPolarHBondContact O-CG 3.45Å; V955-M959 PolarHBondContact O-N 2.8Å; V955-M959 VanDerWaalsContact O-N 3.08Å |
| 956 | F | 87.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.8 | -43 | 173.5 | -85 | -85.6 | 0 | 0 | 0 | 112.6 | L885 V886 L889 V900 C904 L907 V952 C953 T958 M959 E960 | L885-F956 HydrophobicContact CD2-CZ 4Å; L885-F956 HydrophobicContact CG-CZ 4.14Å; V886-F956 HydrophobicContact CB-CZ 4.43Å; V886-F956 HydrophobicContact CG2-CD1 4.28Å; V886-F956 HydrophobicContact CG2-CD2 3.59Å; V886-F956 HydrophobicContact CG2-CE1 3.98Å; V886-F956 HydrophobicContact CG2-CE2 3.24Å; V886-F956 HydrophobicContact CG2-CG 4.1Å; V886-F956 HydrophobicContact CG2-CZ 3.45Å; V886-F956 VanDerWaalsContact CG2-CZ 3.45Å; L889-F956 HydrophobicContact CD1-CE1 4.19Å; V900-F956 HydrophobicContact CG1-CD1 3.73Å; V900-F956 HydrophobicContact CG1-CE1 4.44Å; V900-F956 WeakPolarHBondContact O-CD1 3.33Å; C904-F956 HydrophobicContact CB-CB 3.7Å; C904-F956 HydrophobicContact CB-CD1 3.71Å; C904-F956 HydrophobicContact CB-CD2 4.29Å; C904-F956 HydrophobicContact CB-CE1 4.38Å; C904-F956 HydrophobicContact CB-CG 3.66Å; C904-F956 VanDerWaalsContact SG-CB 3.59Å; L907-F956 HydrophobicContact CD2-CE2 3.79Å; V952-F956 HydrophobicContact CG1-CD2 4.01Å; V952-F956 HydrophobicContact CG1-CE2 3.81Å; V952-F956 WeakPolarHBondContact O-CD2 3.35Å; V952-F956 PolarHBondContact O-N 2.85Å; V952-F956 VanDerWaalsContact O-N 3.12Å; C953-F956 WeakPolarHBondContact O-CB 3.46Å; C953-F956 PolarHBondContact O-N 3.28Å; F956-T958 VanDerWaalsContact C-N 3.34Å; F956-T958 PolarHBondContact O-N 3.32Å; F956-M959 CarbonylContact O-C 3.58Å; F956-M959 PolarHBondContact O-N 3.12Å; F956-E960 PolarHBondContact O-N 3.3Å |
| 957 | I | 86.4 | Confident | 73.3 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 176.5 | -68.5 | 164.1 | 0 | 0 | 0 | 110.8 | V7 C10 C953 L954 V955 M959 E960 | V7-I957 HydrophobicContact CG2-CD1 4.42Å; V7-I957 HydrophobicContact CG2-CG1 4.03Å; V7-I957 HydrophobicContact CG2-CG2 3.92Å; C10-I957 HydrophobicContact CB-CD1 3.44Å; C10-I957 VanDerWaalsContact CB-CD1 3.44Å; C10-I957 HydrophobicContact CB-CG1 4.24Å; C953-I957 PolarHBondContact O-N 2.84Å; L954-I957 HydrophobicContact CD2-CD1 4.27Å; L954-I957 WeakPolarHBondContact O-CB 3.43Å; L954-I957 PolarHBondContact O-N 3.47Å; V955-I957 VanDerWaalsContact C-N 3.31Å; V955-I957 PolarHBondContact O-N 3.19Å; I957-M959 PolarHBondContact O-N 3.18Å; I957-E960 PolarHBondContact O-N 3.19Å |
| 958 | T | 81.2 | Confident | 70.3 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.4 | -22.3 | 179.6 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | Q764 L954 V955 F956 | Q764-T958 PolarHBondContact NE2-O 3.2Å; Q764-T958 VanDerWaalsContact NE2-O 3.07Å; L954-T958 PolarHBondContact O-N 3.31Å; V955-T958 PolarHBondContact O-N 3.17Å; V955-T958 VanDerWaalsContact O-N 3.16Å; V955-T958 PolarHBondContact O-OG1 3.4Å; F956-T958 VanDerWaalsContact C-N 3.34Å; F956-T958 PolarHBondContact O-N 3.32Å |
| 959 | M | 78.8 | Confident | 69.1 | Low | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -87.7 | -24 | 177.3 | -71.4 | -39.9 | 101.7 | 0 | 0 | 113.5 | L760 K773 L777 V886 V900 V955 F956 I957 Q961 | L760-M959 HydrophobicContact CD1-CE 3.52Å; L760-M959 HydrophobicContact CD1-SD 3.78Å; L760-M959 HydrophobicContact CD2-CE 3.5Å; L760-M959 VanDerWaalsContact CD2-CE 3.5Å; L760-M959 HydrophobicContact CG-CE 3.99Å; K773-M959 WeakPolarHBondContact CE-SD 3.48Å; K773-M959 HydrophobicContact CG-SD 4.36Å; K773-M959 PolarHBondContact NZ-O 3.4Å; L777-M959 HydrophobicContact CD1-CG 4.2Å; L777-M959 HydrophobicContact CD1-SD 3.66Å; L777-M959 HydrophobicContact CD2-CE 4.12Å; L777-M959 HydrophobicContact CD2-CG 4.06Å; L777-M959 HydrophobicContact CD2-SD 3.57Å; L777-M959 VanDerWaalsContact CD2-SD 3.57Å; L777-M959 HydrophobicContact CG-SD 3.89Å; V886-M959 HydrophobicContact CG1-CG 3.79Å; V900-M959 HydrophobicContact CG1-CB 4.08Å; V955-M959 WeakPolarHBondContact O-CG 3.45Å; V955-M959 PolarHBondContact O-N 2.8Å; V955-M959 VanDerWaalsContact O-N 3.08Å; F956-M959 CarbonylContact O-C 3.58Å; F956-M959 PolarHBondContact O-N 3.12Å; I957-M959 PolarHBondContact O-N 3.18Å; M959-Q961 PolarHBondContact O-N 2.83Å; M959-Q961 VanDerWaalsContact O-N 3.14Å |
| 960 | E | 75.8 | Confident | 67.8 | Low | 16 Ų | 16 | 67.8 Ų | 67.8 | 8% | 0.075 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -73.4 | 107.8 | 179.1 | -137.7 | -153.6 | 124.4 | 0 | 0 | 108.6 | R4 S6 V900 F956 I957 | R4-E960 VanDerWaalsContact CZ-O 3.31Å; R4-E960 IonicContact CZ-OE1 3.83Å; R4-E960 IonicContact CZ-OE2 3.21Å; R4-E960 IonicContact NE-OE1 2.75Å; R4-E960 PolarHBondContact NE-OE1 3.31Å; R4-E960 IonicContact NE-OE2 2.89Å; R4-E960 PolarHBondContact NE-OE2 3.24Å; R4-E960 PolarHBondContact NH1-O 2.82Å; R4-E960 PolarHBondContact NH2-O 2.98Å; R4-E960 IonicContact NH2-OE1 3.97Å; R4-E960 PolarHBondContact NH2-OE1 3.18Å; R4-E960 IonicContact NH2-OE2 2.71Å; S6-E960 WeakPolarHBondContact CB-OE2 3.37Å; S6-E960 PolarHBondContact N-OE2 3.48Å; S6-E960 PolarHBondContact OG-OE2 2.8Å; V900-E960 HydrophobicContact CB-CG 4.35Å; V900-E960 HydrophobicContact CG1-CB 4.4Å; V900-E960 HydrophobicContact CG1-CG 4.31Å; F956-E960 PolarHBondContact O-N 3.3Å; I957-E960 PolarHBondContact O-N 3.19Å |
| 961 | Q | 63.8 | Low | 66.4 | Low | 74 Ų | 74 | 71.3 Ų | 71.3 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | trans | -70.3 | 133.6 | 178 | -75.6 | -178.8 | -20.1 | 0 | 0 | 110 | R4 M959 | R4-Q961 VanDerWaalsContact NH2-C 3.29Å; R4-Q961 PolarHBondContact NH2-O 2.98Å; M959-Q961 PolarHBondContact O-N 2.83Å; M959-Q961 VanDerWaalsContact O-N 3.14Å | ||
| 962 | S | 51.3 | Low | 64.8 | Low | 92 Ų | 92 | 73.4 Ų | 73.4 | 64% | 0.643 | 46% | 0.457 | S | S | * | . | trans | -57.2 | 132 | 169 | -63.9 | 0 | 0 | 0 | 0 | 108.1 | G964 | S962-G964 PolarHBondContact O-N 3.08Š| ||
| 963 | P | 45.6 | Very low | 63 | Low | 115 Ų | 115 | 77.4 Ų | 77.4 | 75% | 0.747 | 48% | 0.482 | S | S | * | . | trans | -55.1 | 112.6 | 167.7 | 23.2 | -29.9 | 0 | 0 | 0 | 105.3 | S965 | P963-S965 PolarHBondContact O-N 2.9Š| ||
| 964 | G | 38.7 | Very low | 61 | Low | 64 Ų | 64 | 82.5 Ų | 82.5 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | trans | -50.4 | 136.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | S962 S966 | S962-G964 PolarHBondContact O-N 3.08Å; G964-S966 PolarHBondContact O-N 3.01Å | ||
| 965 | S | 33.2 | Very low | 58.8 | Low | 111 Ų | 111 | 82.2 Ų | 82.2 | 78% | 0.776 | 52% | 0.519 | S | S | * | . | trans | -51.2 | 98.1 | 161.7 | 56.1 | 0 | 0 | 0 | 0 | 105.7 | P963 K967 | P963-S965 PolarHBondContact O-N 2.9Å; S965-K967 VanDerWaalsContact C-N 3.27Å; S965-K967 PolarHBondContact O-N 3.3Å | ||
| 966 | S | 30.2 | Very low | 56.6 | Low | 115 Ų | 115 | 84 Ų | 84 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | trans | -53.9 | 107.2 | 165.3 | 51.2 | 0 | 0 | 0 | 0 | 103.3 | G964 S968 | G964-S966 PolarHBondContact O-N 3.01Å; S966-S968 PolarHBondContact O-N 3.2Å | ||
| 967 | K | 32.5 | Very low | 54 | Low | 198 Ų | 198 | 91 Ų | 91 | 86% | 0.861 | 58% | 0.576 | S | S | * | * | trans | -48.4 | 119.4 | 176.4 | -74.7 | 177.2 | 173.4 | -179.6 | 0 | 106.2 | S965 | S965-K967 VanDerWaalsContact C-N 3.27Å; S965-K967 PolarHBondContact O-N 3.3Å | ||
| 968 | S | 30.6 | Very low | 51.1 | Low | 186 Ų | 186 | 95.1 Ų | 95.1 | 100% | 1.301 | 61% | 0.606 | S | S | * | * | trans | -49.4 | 0 | 161.4 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | S966 | S966-S968 PolarHBondContact O-N 3.2Š|
Retrieved 968 of 968 residues in 444.1 ms
(Link to these results)