| 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 | 42.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 101.2 Ų | 101.2 | 76% | 0.764 | 46% | 0.461 | S | S | * | . | 0 | -41.2 | 0 | -95.2 | 170.9 | 80.1 | 0 | 0 | 114 | H3 R4 Y132 | M1-H3 PolarHBondContact O-N 2.68Å; M1-H3 VanDerWaalsContact O-N 3.1Å; M1-R4 PolarHBondContact O-N 3.14Å; M1-Y132 HydrophobicContact CE-CE1 3.79Å; M1-Y132 WeakPolarHBondContact CE-OH 3.33Å | |||
| 2 | Y | 39.6 | Very low | 44.2 | Very low | 143 Ų | 143 | 93.3 Ų | 93.3 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -44.4 | -43.2 | 176.1 | -95.1 | -84.4 | 0 | 0 | 0 | 114.5 | R4 L5 V169 | Y2-R4 VanDerWaalsContact C-N 3.35Å; Y2-R4 PolarHBondContact O-N 3.32Å; Y2-L5 PolarHBondContact O-N 2.89Å; Y2-V169 HydrophobicContact CE1-CG1 4.31Å |
| 3 | H | 36.7 | Very low | 44.4 | Very low | 161 Ų | 161 | 86.2 Ų | 86.2 | 75% | 0.745 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.5 | -27.8 | -177.2 | -67.3 | -57.7 | 0 | 0 | 0 | 114.7 | M1 F7 | M1-H3 PolarHBondContact O-N 2.68Å; M1-H3 VanDerWaalsContact O-N 3.1Å; H3-F7 WeakPolarHBondContact O-CB 3.4Å; H3-F7 PolarHBondContact O-N 3.47Å |
| 4 | R | 39.3 | Very low | 44.4 | Very low | 180 Ų | 180 | 86.1 Ų | 86.1 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.5 | -40.3 | 179.8 | -77.1 | -170.8 | 179.6 | -177.2 | -1.3 | 111.1 | M1 Y2 F7 H8 | M1-R4 PolarHBondContact O-N 3.14Å; Y2-R4 VanDerWaalsContact C-N 3.35Å; Y2-R4 PolarHBondContact O-N 3.32Å; R4-F7 PolarHBondContact O-N 3.38Å; R4-H8 PolarHBondContact O-CD2 3.12Å; R4-H8 PolarHBondContact O-N 3.37Å |
| 5 | L | 47.1 | Very low | 44.4 | Very low | 31 Ų | 31 | 86.4 Ų | 86.4 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67 | -52.4 | -177.8 | -161.5 | 77 | 0 | 0 | 0 | 112.1 | Y2 F7 H8 V9 L96 M97 | Y2-L5 PolarHBondContact O-N 2.89Å; L5-F7 PolarHBondContact O-N 2.96Å; L5-H8 PolarHBondContact O-N 3.02Å; L5-V9 WeakPolarHBondContact O-CB 3.48Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.27Å; L5-L96 HydrophobicContact CD2-CD2 3.6Å; L5-M97 HydrophobicContact CD1-CE 3.22Å; L5-M97 HydrophobicContact CD1-SD 3.63Å; L5-M97 HydrophobicContact CD2-CE 3.77Å; L5-M97 HydrophobicContact CG-CE 4.12Å |
| 6 | L | 44.7 | Very low | 44.4 | Very low | 51 Ų | 51 | 81.2 Ų | 81.2 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.7 | -34.9 | 175.1 | -95.9 | 147.8 | 0 | 0 | 0 | 111.9 | N10 L176 | L6-N10 VanDerWaalsContact O-CB 3.31Å; L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.29Å; L6-N10 PolarHBondContact O-N 2.89Å; L6-N10 PolarHBondContact O-ND2 3.28Å; L6-L176 HydrophobicContact CD2-CD2 3.84Å |
| 7 | F | 43.5 | Very low | 44.5 | Very low | 127 Ų | 127 | 76.9 Ų | 76.9 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.5 | -48 | 177.7 | -175.7 | -100.3 | 0 | 0 | 0 | 112.6 | H3 R4 L5 V9 N10 L11 | H3-F7 WeakPolarHBondContact O-CB 3.4Å; H3-F7 PolarHBondContact O-N 3.47Å; R4-F7 PolarHBondContact O-N 3.38Å; L5-F7 PolarHBondContact O-N 2.96Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 3.03Å; F7-N10 PolarHBondContact O-N 3.32Å; F7-L11 HydrophobicContact CD1-CD1 3.84Å; F7-L11 HydrophobicContact CE1-CD1 3.22Å; F7-L11 HydrophobicContact CE2-CD1 4.06Å; F7-L11 HydrophobicContact CG-CD1 4.48Å; F7-L11 HydrophobicContact CZ-CD1 3.35Å; F7-L11 PolarHBondContact O-N 3.48Å |
| 8 | H | 46.8 | Very low | 44.5 | Very low | 103 Ų | 103 | 80.1 Ų | 80.1 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 179 | -70.1 | -56.8 | 0 | 0 | 0 | 112.2 | R4 L5 L11 F12 | R4-H8 PolarHBondContact O-CD2 3.12Å; R4-H8 PolarHBondContact O-N 3.37Å; L5-H8 PolarHBondContact O-N 3.02Å; H8-L11 PolarHBondContact O-N 2.96Å; H8-F12 PolarHBondContact O-N 3.09Å; H8-F12 VanDerWaalsContact O-N 3.1Å |
| 9 | V | 49.4 | Very low | 44.4 | Very low | 11 Ų | 11 | 79.7 Ų | 79.7 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.7 | -52.7 | 169.4 | 160.3 | 0 | 0 | 0 | 0 | 110.5 | L5 F7 L11 F12 M13 F177 | L5-V9 WeakPolarHBondContact O-CB 3.48Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.27Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-V9 PolarHBondContact O-N 3.03Å; V9-L11 VanDerWaalsContact C-N 3.26Å; V9-L11 PolarHBondContact O-N 2.8Å; V9-F12 WeakPolarHBondContact O-CB 3.33Å; V9-F12 PolarHBondContact O-N 3.13Å; V9-M13 WeakPolarHBondContact O-CG 3.42Å; V9-M13 PolarHBondContact O-N 3.07Å; V9-F177 HydrophobicContact CB-CD2 3.84Å; V9-F177 HydrophobicContact CB-CE2 4.12Å; V9-F177 HydrophobicContact CG1-CB 4.34Å; V9-F177 HydrophobicContact CG1-CD2 3.16Å; V9-F177 HydrophobicContact CG1-CE2 3.7Å; V9-F177 HydrophobicContact CG1-CG 4.11Å; V9-F177 HydrophobicContact CG2-CD2 3.52Å; V9-F177 HydrophobicContact CG2-CE2 3.85Å |
| 10 | N | 45.8 | Very low | 44.4 | Very low | 55 Ų | 55 | 77.3 Ų | 77.3 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -34.5 | -178.3 | -83.9 | -52.9 | 0 | 0 | 0 | 113.3 | L6 F7 M13 V14 Q180 K184 | L6-N10 VanDerWaalsContact O-CB 3.31Å; L6-N10 WeakPolarHBondContact O-CB 3.45Å; L6-N10 VanDerWaalsContact O-CG 3.29Å; L6-N10 PolarHBondContact O-N 2.89Å; L6-N10 PolarHBondContact O-ND2 3.28Å; F7-N10 PolarHBondContact O-N 3.32Å; N10-M13 PolarHBondContact O-N 3.31Å; N10-V14 PolarHBondContact O-N 3.46Å; N10-Q180 PolarHBondContact OD1-NE2 2.99Å; N10-Q180 PolarHBondContact OD1-OE1 3.48Å; N10-K184 PolarHBondContact O-NZ 3.5Å |
| 11 | L | 45.9 | Very low | 44.8 | Very low | 96 Ų | 96 | 75.1 Ų | 75.1 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 177.5 | -120.7 | 122.9 | 0 | 0 | 0 | 112.4 | F7 H8 V9 M13 | F7-L11 HydrophobicContact CD1-CD1 3.84Å; F7-L11 HydrophobicContact CE1-CD1 3.22Å; F7-L11 HydrophobicContact CE2-CD1 4.06Å; F7-L11 HydrophobicContact CG-CD1 4.48Å; F7-L11 HydrophobicContact CZ-CD1 3.35Å; F7-L11 PolarHBondContact O-N 3.48Å; H8-L11 PolarHBondContact O-N 2.96Å; V9-L11 VanDerWaalsContact C-N 3.26Å; V9-L11 PolarHBondContact O-N 2.8Å; L11-M13 PolarHBondContact O-N 3.17Å; L11-M13 VanDerWaalsContact O-N 3.15Å |
| 12 | F | 49.2 | Very low | 45 | Very low | 7 Ų | 7 | 77.2 Ų | 77.2 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -50.9 | -38.8 | 173.8 | 175.2 | -113.7 | 0 | 0 | 0 | 111.8 | H8 V9 W15 F16 I104 E107 M121 F177 | H8-F12 PolarHBondContact O-N 3.09Å; H8-F12 VanDerWaalsContact O-N 3.1Å; V9-F12 WeakPolarHBondContact O-CB 3.33Å; V9-F12 PolarHBondContact O-N 3.13Å; F12-W15 PolarHBondContact O-N 3.5Å; F12-F16 HydrophobicContact CE2-CD2 4.1Å; F12-F16 AromaticContact CZ-CD2 3.93Å; F12-F16 HydrophobicContact CZ-CD2 3.93Å; F12-F16 HydrophobicContact CZ-CE2 4.42Å; F12-F16 PolarHBondContact O-N 2.91Å; F12-F16 VanDerWaalsContact O-N 3.1Å; F12-I104 HydrophobicContact CE2-CG1 4.21Å; F12-I104 HydrophobicContact CZ-CG1 4.13Å; F12-E107 VanDerWaalsContact CZ-OE2 3.22Å; F12-E107 WeakPolarHBondContact CZ-OE2 3.31Å; F12-M121 HydrophobicContact CB-CE 4.34Å; F12-M121 HydrophobicContact CB-SD 4.32Å; F12-M121 HydrophobicContact CD2-CE 3.92Å; F12-M121 HydrophobicContact CD2-SD 3.35Å; F12-M121 WeakPolarHBondContact CD2-SD 3.41Å; F12-M121 HydrophobicContact CE2-SD 4.01Å; F12-M121 HydrophobicContact CG-SD 4.26Å; F12-F177 AromaticContact CD1-CE2 3.96Å; F12-F177 HydrophobicContact CD1-CE2 3.96Å; F12-F177 AromaticContact CD1-CZ 3.52Å; F12-F177 HydrophobicContact CD1-CZ 3.52Å; F12-F177 HydrophobicContact CE1-CE1 4.39Å; F12-F177 HydrophobicContact CE1-CE2 4.45Å; F12-F177 AromaticContact CE1-CZ 3.59Å; F12-F177 HydrophobicContact CE1-CZ 3.59Å |
| 13 | M | 46.2 | Very low | 45.7 | Very low | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -86.1 | -25.5 | -163.2 | -58.1 | -104.9 | -78 | 0 | 0 | 113.5 | V9 N10 L11 I17 F177 Q180 F181 K184 | V9-M13 WeakPolarHBondContact O-CG 3.42Å; V9-M13 PolarHBondContact O-N 3.07Å; N10-M13 PolarHBondContact O-N 3.31Å; L11-M13 PolarHBondContact O-N 3.17Å; L11-M13 VanDerWaalsContact O-N 3.15Å; M13-I17 WeakPolarHBondContact O-CD1 3.39Å; M13-I17 WeakPolarHBondContact O-CG1 3.34Å; M13-F177 VanDerWaalsContact CE-O 3.29Å; M13-F177 WeakPolarHBondContact CE-O 3.43Å; M13-F177 HydrophobicContact SD-CE2 4.37Å; M13-F177 HydrophobicContact SD-CZ 4.29Å; M13-Q180 VanDerWaalsContact CE-CA 3.5Å; M13-Q180 HydrophobicContact CE-CB 2.96Å; M13-Q180 HydrophobicContact CE-CG 4.31Å; M13-Q180 WeakPolarHBondContact CE-O 3.44Å; M13-F181 HydrophobicContact CE-CB 3.76Å; M13-F181 WeakPolarHBondContact SD-CA 3.46Å; M13-F181 HydrophobicContact SD-CB 3.31Å; M13-F181 WeakPolarHBondContact SD-CB 3.46Å; M13-F181 HydrophobicContact SD-CD2 3.6Å; M13-F181 VanDerWaalsContact SD-CD2 3.6Å; M13-F181 HydrophobicContact SD-CG 3.92Å; M13-K184 VanDerWaalsContact C-CD 3.43Å; M13-K184 HydrophobicContact CB-CD 3.68Å; M13-K184 WeakPolarHBondContact O-CD 2.8Å |
| 14 | V | 44.5 | Very low | 46.5 | Very low | 86 Ų | 86 | 72.1 Ų | 72.1 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.8 | -30.8 | 169.2 | 179.2 | 0 | 0 | 0 | 0 | 110 | N10 K184 | N10-V14 PolarHBondContact O-N 3.46Å; V14-K184 HydrophobicContact CG2-CD 4.44Å |
| 15 | W | 45 | Very low | 47.1 | Very low | 90 Ų | 90 | 71.3 Ų | 71.3 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -92.6 | -36.5 | -162.5 | -161.1 | 75.1 | 0 | 0 | 0 | 112.7 | F12 I17 H18 L19 V115 S116 | F12-W15 PolarHBondContact O-N 3.5Å; W15-I17 VanDerWaalsContact C-N 3.33Å; W15-I17 PolarHBondContact O-N 3.17Å; W15-H18 PolarHBondContact O-N 3.42Å; W15-L19 HydrophobicContact CH2-CD1 4.15Å; W15-L19 HydrophobicContact CZ3-CD1 4.2Å; W15-V115 HydrophobicContact CZ3-CG1 4.08Å; W15-S116 VanDerWaalsContact CH2-N 3.28Å; W15-S116 WeakPolarHBondContact CH2-O 3.37Å; W15-S116 WeakPolarHBondContact CH2-OG 3.45Å; W15-S116 WeakPolarHBondContact CZ2-OG 2.84Å; W15-S116 WeakPolarHBondContact CZ3-O 3.45Å |
| 16 | F | 44.3 | Very low | 48.3 | Very low | 3 Ų | 3 | 73.3 Ų | 73.3 | 1% | 0.013 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 178.7 | -161.5 | -89.6 | 0 | 0 | 0 | 113.8 | F12 H18 L19 S20 E107 H111 V115 F181 | F12-F16 HydrophobicContact CE2-CD2 4.1Å; F12-F16 AromaticContact CZ-CD2 3.93Å; F12-F16 HydrophobicContact CZ-CD2 3.93Å; F12-F16 HydrophobicContact CZ-CE2 4.42Å; F12-F16 PolarHBondContact O-N 2.91Å; F12-F16 VanDerWaalsContact O-N 3.1Å; F16-H18 PolarHBondContact O-N 2.82Å; F16-H18 VanDerWaalsContact O-N 3.15Å; F16-L19 PolarHBondContact O-N 3.04Å; F16-S20 PolarHBondContact O-OG 3.46Å; F16-E107 HydrophobicContact CE2-CB 4.18Å; F16-E107 HydrophobicContact CZ-CB 3.92Å; F16-H111 AromaticContact CE1-CD2 3.6Å; F16-H111 AromaticContact CE1-NE2 3.79Å; F16-H111 AromaticContact CZ-CD2 3.46Å; F16-H111 VanDerWaalsContact CZ-CD2 3.46Å; F16-H111 WeakPolarHBondContact CZ-CD2 3.41Å; F16-V115 HydrophobicContact CD2-CG1 4.02Å; F16-V115 HydrophobicContact CD2-CG2 4.21Å; F16-V115 HydrophobicContact CE2-CG1 4.12Å; F16-V115 HydrophobicContact CE2-CG2 3.55Å; F16-V115 HydrophobicContact CZ-CG2 4.36Å; F16-F181 HydrophobicContact CB-CE2 4.19Å; F16-F181 AromaticContact CD1-CE2 3.58Å; F16-F181 HydrophobicContact CD1-CE2 3.58Å; F16-F181 AromaticContact CD1-CZ 3.7Å; F16-F181 HydrophobicContact CD1-CZ 3.7Å; F16-F181 HydrophobicContact CE1-CE2 4.19Å; F16-F181 AromaticContact CE1-CZ 3.87Å; F16-F181 HydrophobicContact CE1-CZ 3.87Å; F16-F181 AromaticContact CG-CE2 3.98Å; F16-F181 HydrophobicContact CG-CE2 3.98Å; F16-F181 HydrophobicContact CG-CZ 4.48Å |
| 17 | I | 45.8 | Very low | 49.6 | Very low | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -63.4 | -25.9 | -174.7 | -26 | 159.3 | 0 | 0 | 0 | 113 | M13 W15 L19 K184 M185 E188 | M13-I17 WeakPolarHBondContact O-CD1 3.39Å; M13-I17 WeakPolarHBondContact O-CG1 3.34Å; W15-I17 VanDerWaalsContact C-N 3.33Å; W15-I17 PolarHBondContact O-N 3.17Å; I17-L19 PolarHBondContact O-N 3.15Å; I17-L19 VanDerWaalsContact O-N 3.12Å; I17-K184 HydrophobicContact CD1-CB 3.42Å; I17-K184 VanDerWaalsContact CD1-CB 3.42Å; I17-K184 HydrophobicContact CD1-CD 4.04Å; I17-K184 HydrophobicContact CD1-CG 3.97Å; I17-K184 HydrophobicContact CG1-CB 3.88Å; I17-M185 HydrophobicContact CG2-CB 4.44Å; I17-M185 HydrophobicContact CG2-CG 4.24Å; I17-E188 HydrophobicContact CB-CB 4.33Å; I17-E188 HydrophobicContact CB-CG 3.55Å; I17-E188 HydrophobicContact CD1-CG 3.81Å; I17-E188 HydrophobicContact CG1-CG 4.31Å; I17-E188 HydrophobicContact CG2-CB 3.37Å; I17-E188 HydrophobicContact CG2-CG 3.08Å |
| 18 | H | 44 | Very low | 51.1 | Low | 135 Ų | 135 | 70.6 Ų | 70.6 | 63% | 0.625 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -67.8 | -8.5 | -179.5 | -80.1 | -5.4 | 0 | 0 | 0 | 113.9 | W15 F16 | W15-H18 PolarHBondContact O-N 3.42Å; F16-H18 PolarHBondContact O-N 2.82Å; F16-H18 VanDerWaalsContact O-N 3.15Å |
| 19 | L | 42.6 | Very low | 52.3 | Low | 72 Ų | 72 | 70.9 Ų | 70.9 | 38% | 0.377 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -113 | -15.3 | -168.9 | -70.3 | 168.2 | 0 | 0 | 0 | 115.8 | W15 F16 I17 T113 | W15-L19 HydrophobicContact CH2-CD1 4.15Å; W15-L19 HydrophobicContact CZ3-CD1 4.2Å; F16-L19 PolarHBondContact O-N 3.04Å; I17-L19 PolarHBondContact O-N 3.15Å; I17-L19 VanDerWaalsContact O-N 3.12Å; L19-T113 HydrophobicContact CB-CG2 3.77Å; L19-T113 WeakPolarHBondContact O-CG2 3.44Å |
| 20 | S | 45.9 | Very low | 53.4 | Low | 31 Ų | 31 | 73.4 Ų | 73.4 | 22% | 0.217 | 37% | 0.372 | C | S | . | . | trans | -102.4 | 11.6 | -158.7 | -7 | 0 | 0 | 0 | 0 | 117.8 | F16 | F16-S20 PolarHBondContact O-OG 3.46Š| ||
| 21 | I | 51.1 | Low | 54.8 | Low | 33 Ų | 33 | 71.5 Ų | 71.5 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | trans | -128.2 | 100.1 | -160 | -39.5 | 174.5 | 0 | 0 | 0 | 112.4 | L27 E188 M189 | I21-L27 HydrophobicContact CG2-CD1 4.06Å; I21-E188 HydrophobicContact CD1-CB 3.79Å; I21-M189 HydrophobicContact CD1-CG 4.25Å | ||
| 22 | E | 48 | Very low | 56.4 | Low | 199 Ų | 199 | 73.7 Ų | 73.7 | 93% | 0.93 | 36% | 0.364 | S | S | * | . | trans | -136.6 | 24.9 | -177.1 | -122.9 | 179.5 | -164.8 | 0 | 0 | 115.2 | ||||
| 23 | D | 52.8 | Low | 57.6 | Low | 83 Ų | 83 | 77.4 Ų | 77.4 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | trans | -153.3 | 116.9 | 174.4 | -170.7 | 6.4 | 0 | 0 | 0 | 114.5 | N26 | D23-N26 HydrophobicContact CB-CB 4.46Š| ||
| 24 | D | 54.4 | Low | 58.9 | Low | 113 Ų | 113 | 77.9 Ų | 77.9 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -79.2 | -42.9 | -168 | -74.7 | -19.4 | 0 | 0 | 0 | 114.7 | N26 L27 | D24-N26 PolarHBondContact O-N 2.97Å; D24-L27 WeakPolarHBondContact O-CB 3.45Å; D24-L27 PolarHBondContact O-N 2.95Å |
| 25 | N | 52.5 | Low | 60.7 | Low | 164 Ų | 164 | 76.9 Ų | 76.9 | 88% | 0.877 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.4 | -177.5 | -88.4 | -24.7 | 0 | 0 | 0 | 112.2 | ||
| 26 | N | 71.8 | Confident | 62.4 | Low | 72 Ų | 72 | 77.4 Ų | 77.4 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -13.6 | 174.1 | -159.8 | -9 | 0 | 0 | 0 | 111.9 | D23 D24 M29 K30 | D23-N26 HydrophobicContact CB-CB 4.46Å; D24-N26 PolarHBondContact O-N 2.97Å; N26-M29 PolarHBondContact O-N 3.44Å; N26-K30 HydrophobicContact CB-CD 4.42Å; N26-K30 VanDerWaalsContact CG-CE 3.4Å; N26-K30 WeakPolarHBondContact ND2-CE 3.46Å; N26-K30 WeakPolarHBondContact O-CB 3.41Å; N26-K30 WeakPolarHBondContact O-CG 3.39Å; N26-K30 PolarHBondContact O-N 3.31Å |
| 27 | L | 71.1 | Confident | 64.1 | Low | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -44.3 | -170.9 | -169.4 | 64 | 0 | 0 | 0 | 112.9 | I21 D24 M29 K30 I31 M189 Q192 L193 | I21-L27 HydrophobicContact CG2-CD1 4.06Å; D24-L27 WeakPolarHBondContact O-CB 3.45Å; D24-L27 PolarHBondContact O-N 2.95Å; L27-M29 VanDerWaalsContact C-N 3.35Å; L27-M29 PolarHBondContact O-N 3.3Å; L27-K30 WeakPolarHBondContact O-CB 3.17Å; L27-K30 PolarHBondContact O-N 2.86Å; L27-I31 HydrophobicContact CG-CD1 4.06Å; L27-I31 WeakPolarHBondContact O-CB 3.38Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.34Å; L27-I31 PolarHBondContact O-N 3.26Å; L27-M189 HydrophobicContact CD1-CB 3.69Å; L27-M189 HydrophobicContact CD1-CG 3.69Å; L27-M189 HydrophobicContact CD1-SD 4.33Å; L27-Q192 HydrophobicContact CD2-CB 3.88Å; L27-L193 HydrophobicContact CD2-CD2 4.31Å; L27-L193 HydrophobicContact CD2-CG 4.49Å |
| 28 | I | 76.1 | Confident | 65.8 | Low | 120 Ų | 120 | 81.5 Ų | 81.5 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | -179.9 | -64.6 | 174.3 | 0 | 0 | 0 | 111 | I31 Y32 L193 | I28-I31 PolarHBondContact O-N 3.38Å; I28-Y32 PolarHBondContact O-N 3.21Å; I28-L193 HydrophobicContact CG1-CD2 3.86Å |
| 29 | M | 72.6 | Confident | 67.7 | Low | 108 Ų | 108 | 82.3 Ų | 82.3 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 176.3 | -80.2 | -60.2 | -58.4 | 0 | 0 | 112.1 | N26 L27 Y32 N33 | N26-M29 PolarHBondContact O-N 3.44Å; L27-M29 VanDerWaalsContact C-N 3.35Å; L27-M29 PolarHBondContact O-N 3.3Å; M29-Y32 PolarHBondContact O-N 3.5Å; M29-N33 WeakPolarHBondContact O-CB 3.44Å; M29-N33 VanDerWaalsContact O-CG 3.24Å; M29-N33 PolarHBondContact O-N 2.9Å; M29-N33 PolarHBondContact O-ND2 3.38Å |
| 30 | K | 70.8 | Confident | 69.6 | Low | 65 Ų | 65 | 84.1 Ų | 84.1 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 173.4 | -75.2 | 168.3 | 178.2 | 171.3 | 0 | 111.8 | N26 L27 N33 A34 M189 | N26-K30 HydrophobicContact CB-CD 4.42Å; N26-K30 VanDerWaalsContact CG-CE 3.4Å; N26-K30 WeakPolarHBondContact ND2-CE 3.46Å; N26-K30 WeakPolarHBondContact O-CB 3.41Å; N26-K30 WeakPolarHBondContact O-CG 3.39Å; N26-K30 PolarHBondContact O-N 3.31Å; L27-K30 WeakPolarHBondContact O-CB 3.17Å; L27-K30 PolarHBondContact O-N 2.86Å; K30-N33 PolarHBondContact O-N 2.69Å; K30-A34 WeakPolarHBondContact O-CB 3.46Å; K30-A34 PolarHBondContact O-N 3.01Å; K30-M189 HydrophobicContact CB-CE 4.44Å; K30-M189 HydrophobicContact CB-SD 3.97Å |
| 31 | I | 77.2 | Confident | 71.3 | Confident | 14 Ų | 14 | 83.1 Ų | 83.1 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 175.8 | -74 | 172.9 | 0 | 0 | 0 | 110.5 | L27 I28 N33 A34 E35 L186 M189 K190 L193 | L27-I31 HydrophobicContact CG-CD1 4.06Å; L27-I31 WeakPolarHBondContact O-CB 3.38Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.34Å; L27-I31 PolarHBondContact O-N 3.26Å; I28-I31 PolarHBondContact O-N 3.38Å; I31-N33 VanDerWaalsContact C-N 3.34Å; I31-N33 PolarHBondContact O-N 3.25Å; I31-A34 PolarHBondContact O-N 3.32Å; I31-E35 WeakPolarHBondContact O-CG 3.38Å; I31-E35 PolarHBondContact O-N 3.47Å; I31-L186 HydrophobicContact CB-CD1 4.14Å; I31-L186 HydrophobicContact CG1-CD1 4.22Å; I31-L186 HydrophobicContact CG2-CD1 3.69Å; I31-M189 HydrophobicContact CD1-CB 3.98Å; I31-M189 HydrophobicContact CG1-CB 3.63Å; I31-M189 HydrophobicContact CG1-SD 4.21Å; I31-K190 HydrophobicContact CD1-CG 4.26Å; I31-L193 HydrophobicContact CD1-CD1 3.59Å; I31-L193 HydrophobicContact CD1-CD2 4.14Å; I31-L193 HydrophobicContact CD1-CG 3.8Å |
| 32 | Y | 78.5 | Confident | 72.9 | Confident | 143 Ų | 143 | 88.7 Ų | 88.7 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 179 | 179.1 | -95.3 | 0 | 0 | 0 | 112.1 | I28 M29 E35 H36 | I28-Y32 PolarHBondContact O-N 3.21Å; M29-Y32 PolarHBondContact O-N 3.5Å; Y32-E35 PolarHBondContact O-N 2.91Å; Y32-H36 WeakPolarHBondContact O-CB 3.36Å; Y32-H36 PolarHBondContact O-N 3.2Å |
| 33 | N | 75 | Confident | 74.7 | Confident | 85 Ų | 85 | 86.1 Ų | 86.1 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.1 | -70.2 | -16.6 | 0 | 0 | 0 | 111.5 | M29 K30 I31 E35 H36 E37 | M29-N33 WeakPolarHBondContact O-CB 3.44Å; M29-N33 VanDerWaalsContact O-CG 3.24Å; M29-N33 PolarHBondContact O-N 2.9Å; M29-N33 PolarHBondContact O-ND2 3.38Å; K30-N33 PolarHBondContact O-N 2.69Å; I31-N33 VanDerWaalsContact C-N 3.34Å; I31-N33 PolarHBondContact O-N 3.25Å; N33-E35 VanDerWaalsContact C-N 3.35Å; N33-E35 PolarHBondContact O-N 2.94Å; N33-H36 WeakPolarHBondContact O-CB 3.08Å; N33-H36 PolarHBondContact O-N 3.1Å; N33-E37 WeakPolarHBondContact O-CG 3.44Å; N33-E37 PolarHBondContact O-N 3.03Å |
| 34 | A | 73.6 | Confident | 76.3 | Confident | 9 Ų | 9 | 83 Ų | 83 | 7% | 0.074 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K30 I31 E37 L38 L186 | K30-A34 WeakPolarHBondContact O-CB 3.46Å; K30-A34 PolarHBondContact O-N 3.01Å; I31-A34 PolarHBondContact O-N 3.32Å; A34-E37 PolarHBondContact O-N 3.31Å; A34-L38 WeakPolarHBondContact O-CB 3.44Å; A34-L38 WeakPolarHBondContact O-CD1 3.43Å; A34-L38 VanDerWaalsContact O-CG 3.27Å; A34-L38 WeakPolarHBondContact O-CG 3.25Å; A34-L38 PolarHBondContact O-N 3.35Å; A34-L186 HydrophobicContact CB-CB 4.47Å; A34-L186 HydrophobicContact CB-CD1 4.23Å |
| 35 | E | 81.8 | Confident | 77.6 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 174.3 | -74.6 | -174.3 | 163.5 | 0 | 0 | 112.8 | I31 Y32 N33 K39 L186 K190 | I31-E35 WeakPolarHBondContact O-CG 3.38Å; I31-E35 PolarHBondContact O-N 3.47Å; Y32-E35 PolarHBondContact O-N 2.91Å; N33-E35 VanDerWaalsContact C-N 3.35Å; N33-E35 PolarHBondContact O-N 2.94Å; E35-K39 WeakPolarHBondContact O-CG 3.34Å; E35-K39 PolarHBondContact O-N 3.29Å; E35-L186 HydrophobicContact CG-CD1 3.81Å; E35-L186 HydrophobicContact CG-CD2 3.54Å; E35-L186 HydrophobicContact CG-CG 4.34Å; E35-K190 WeakPolarHBondContact OE1-CE 3.37Å; E35-K190 IonicContact OE1-NZ 2.69Å; E35-K190 PolarHBondContact OE1-NZ 3.41Å |
| 36 | H | 81.4 | Confident | 79.2 | Confident | 101 Ų | 101 | 72.3 Ų | 72.3 | 47% | 0.468 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 175.6 | -177 | -88 | 0 | 0 | 0 | 111.4 | Y32 N33 L38 K39 Y40 | Y32-H36 WeakPolarHBondContact O-CB 3.36Å; Y32-H36 PolarHBondContact O-N 3.2Å; N33-H36 WeakPolarHBondContact O-CB 3.08Å; N33-H36 PolarHBondContact O-N 3.1Å; H36-L38 PolarHBondContact O-N 3.31Å; H36-K39 WeakPolarHBondContact O-CB 3.27Å; H36-K39 PolarHBondContact O-N 3.01Å; H36-Y40 PolarHBondContact O-N 3.48Å; H36-Y40 VanDerWaalsContact O-N 3.1Å |
| 37 | E | 79.3 | Confident | 79.9 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 177.1 | -71.4 | -54.2 | 137.2 | 0 | 0 | 112.3 | N33 A34 K39 Y40 L41 L182 | N33-E37 WeakPolarHBondContact O-CG 3.44Å; N33-E37 PolarHBondContact O-N 3.03Å; A34-E37 PolarHBondContact O-N 3.31Å; E37-K39 VanDerWaalsContact C-N 3.3Å; E37-K39 PolarHBondContact O-N 3Å; E37-Y40 WeakPolarHBondContact O-CA 3.46Å; E37-Y40 WeakPolarHBondContact O-CB 3.33Å; E37-Y40 PolarHBondContact O-N 3.3Å; E37-Y40 VanDerWaalsContact O-N 3.08Å; E37-L41 WeakPolarHBondContact O-CG 3.46Å; E37-L41 PolarHBondContact O-N 2.93Å; E37-L182 HydrophobicContact CB-CD1 3.86Å |
| 38 | L | 80.8 | Confident | 80.7 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -39.5 | 174.7 | -79.9 | 164.2 | 0 | 0 | 0 | 112.7 | A34 H36 Y40 K42 H179 L182 W183 L186 | A34-L38 WeakPolarHBondContact O-CB 3.44Å; A34-L38 WeakPolarHBondContact O-CD1 3.43Å; A34-L38 VanDerWaalsContact O-CG 3.27Å; A34-L38 WeakPolarHBondContact O-CG 3.25Å; A34-L38 PolarHBondContact O-N 3.35Å; H36-L38 PolarHBondContact O-N 3.31Å; L38-Y40 VanDerWaalsContact C-N 3.33Å; L38-K42 VanDerWaalsContact O-CB 3.31Å; L38-K42 WeakPolarHBondContact O-CB 3.31Å; L38-K42 PolarHBondContact O-N 2.87Å; L38-H179 VanDerWaalsContact CD2-O 3.25Å; L38-H179 WeakPolarHBondContact CD2-O 3.42Å; L38-L182 HydrophobicContact CD1-CB 4.46Å; L38-L182 HydrophobicContact CD2-CB 3.81Å; L38-L182 HydrophobicContact CG-CB 3.92Å; L38-W183 HydrophobicContact CD1-CE3 3.99Å; L38-W183 HydrophobicContact CD2-CB 4.03Å; L38-L186 HydrophobicContact CD1-CB 4.26Å; L38-L186 HydrophobicContact CD1-CD2 3.52Å |
| 39 | K | 84.5 | Confident | 81.2 | Confident | 153 Ų | 153 | 71.7 Ų | 71.7 | 67% | 0.665 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.5 | -41.4 | 173.8 | -71.6 | 170.7 | -176.7 | 169.8 | 0 | 111.1 | E35 H36 E37 R43 | E35-K39 WeakPolarHBondContact O-CG 3.34Å; E35-K39 PolarHBondContact O-N 3.29Å; H36-K39 WeakPolarHBondContact O-CB 3.27Å; H36-K39 PolarHBondContact O-N 3.01Å; E37-K39 VanDerWaalsContact C-N 3.3Å; E37-K39 PolarHBondContact O-N 3Å; K39-R43 PolarHBondContact O-N 3.45Å; K39-R43 VanDerWaalsContact O-N 3.14Å |
| 40 | Y | 82.8 | Confident | 82.1 | Confident | 109 Ų | 109 | 70.8 Ų | 70.8 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.4 | -50.5 | 176.9 | -178.3 | -104.6 | 0 | 0 | 0 | 111.8 | H36 E37 L38 K42 R43 N44 | H36-Y40 PolarHBondContact O-N 3.48Å; H36-Y40 VanDerWaalsContact O-N 3.1Å; E37-Y40 WeakPolarHBondContact O-CA 3.46Å; E37-Y40 WeakPolarHBondContact O-CB 3.33Å; E37-Y40 PolarHBondContact O-N 3.3Å; E37-Y40 VanDerWaalsContact O-N 3.08Å; L38-Y40 VanDerWaalsContact C-N 3.33Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.37Å; Y40-R43 WeakPolarHBondContact O-CA 3.21Å; Y40-R43 WeakPolarHBondContact O-CB 3.45Å; Y40-R43 PolarHBondContact O-N 2.79Å; Y40-N44 WeakPolarHBondContact CD1-ND2 3.06Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.46Å; Y40-N44 PolarHBondContact O-N 3Å; Y40-N44 PolarHBondContact O-OD1 3.24Å |
| 41 | L | 80.6 | Confident | 83 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.5 | -70.7 | 178 | 0 | 0 | 0 | 112.4 | E37 R43 N44 I45 E175 H178 H179 L182 | E37-L41 WeakPolarHBondContact O-CG 3.46Å; E37-L41 PolarHBondContact O-N 2.93Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 2.96Å; L41-N44 PolarHBondContact O-N 2.95Å; L41-I45 WeakPolarHBondContact O-CB 3.3Å; L41-I45 VanDerWaalsContact O-CG1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.4Å; L41-I45 PolarHBondContact O-N 3.45Å; L41-E175 WeakPolarHBondContact CD2-OE2 3.04Å; L41-H178 HydrophobicContact CD1-CB 3.62Å; L41-H178 HydrophobicContact CD2-CB 4.14Å; L41-H179 HydrophobicContact CB-CB 4.29Å; L41-H179 HydrophobicContact CD1-CB 4.17Å; L41-L182 HydrophobicContact CD1-CD1 3.49Å; L41-L182 VanDerWaalsContact CD1-CD1 3.49Å |
| 42 | K | 84.9 | Confident | 83.6 | Confident | 149 Ų | 149 | 73.3 Ų | 73.3 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.1 | -39.8 | 175.3 | -176.6 | 176.7 | 179.6 | 178.1 | 0 | 111.6 | L38 Y40 G46 | L38-K42 VanDerWaalsContact O-CB 3.31Å; L38-K42 WeakPolarHBondContact O-CB 3.31Å; L38-K42 PolarHBondContact O-N 2.87Å; Y40-K42 VanDerWaalsContact C-N 3.33Å; Y40-K42 PolarHBondContact O-N 3.37Å; K42-G46 PolarHBondContact O-N 3.01Å; K42-G46 VanDerWaalsContact O-N 3.12Å |
| 43 | R | 86.2 | Confident | 84.3 | Confident | 146 Ų | 146 | 73.5 Ų | 73.5 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 175.3 | -168.9 | -176.2 | 76.9 | 174.6 | 4.2 | 111.2 | K39 Y40 L41 G46 Q47 | K39-R43 PolarHBondContact O-N 3.45Å; K39-R43 VanDerWaalsContact O-N 3.14Å; Y40-R43 WeakPolarHBondContact O-CA 3.21Å; Y40-R43 WeakPolarHBondContact O-CB 3.45Å; Y40-R43 PolarHBondContact O-N 2.79Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 2.96Å; R43-G46 PolarHBondContact O-N 3.37Å; R43-Q47 WeakPolarHBondContact O-CG 3.29Å; R43-Q47 PolarHBondContact O-N 3.46Å |
| 44 | N | 86 | Confident | 85.2 | Confident | 17 Ų | 17 | 75.1 Ų | 75.1 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 178.8 | -64 | -6.7 | 0 | 0 | 0 | 111.1 | Y40 L41 G46 Q47 E48 E175 | Y40-N44 WeakPolarHBondContact CD1-ND2 3.06Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.46Å; Y40-N44 PolarHBondContact O-N 3Å; Y40-N44 PolarHBondContact O-OD1 3.24Å; L41-N44 PolarHBondContact O-N 2.95Å; N44-G46 PolarHBondContact O-N 2.99Å; N44-Q47 CarbonylContact O-C 3.6Å; N44-Q47 WeakPolarHBondContact O-CA 3.43Å; N44-Q47 WeakPolarHBondContact O-CB 3.43Å; N44-Q47 PolarHBondContact O-N 3.47Å; N44-E48 WeakPolarHBondContact O-CG 3.15Å; N44-E48 PolarHBondContact O-N 2.71Å; N44-E175 PolarHBondContact ND2-OE2 3.2Å |
| 45 | I | 82.7 | Confident | 86.2 | Confident | 20 Ų | 20 | 75 Ų | 75 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.6 | -43.2 | 175.9 | -70.3 | 168 | 0 | 0 | 0 | 110.7 | L41 E48 I49 F172 E175 H179 | L41-I45 WeakPolarHBondContact O-CB 3.3Å; L41-I45 VanDerWaalsContact O-CG1 3.26Å; L41-I45 WeakPolarHBondContact O-CG1 3.4Å; L41-I45 PolarHBondContact O-N 3.45Å; I45-E48 PolarHBondContact O-N 3.23Å; I45-I49 HydrophobicContact CG2-CD1 4.08Å; I45-I49 VanDerWaalsContact O-CG1 3.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.4Å; I45-I49 PolarHBondContact O-N 2.83Å; I45-F172 HydrophobicContact CG2-CD2 3.95Å; I45-F172 HydrophobicContact CG2-CE2 3.6Å; I45-E175 HydrophobicContact CD1-CB 4.29Å; I45-E175 HydrophobicContact CG1-CB 3.65Å; I45-H179 HydrophobicContact CD1-CB 3.86Å |
| 46 | G | 85.1 | Confident | 86.7 | Confident | 33 Ų | 33 | 74 Ų | 74 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K42 R43 N44 I49 E50 | K42-G46 PolarHBondContact O-N 3.01Å; K42-G46 VanDerWaalsContact O-N 3.12Å; R43-G46 PolarHBondContact O-N 3.37Å; N44-G46 PolarHBondContact O-N 2.99Å; G46-I49 PolarHBondContact O-N 3.07Å; G46-E50 PolarHBondContact O-N 2.69Å; G46-E50 VanDerWaalsContact O-N 3.16Å |
| 47 | Q | 88 | Confident | 87.4 | Confident | 88 Ų | 88 | 72.3 Ų | 72.3 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176.9 | -70 | 175.5 | -39.3 | 0 | 0 | 112.2 | R43 N44 I49 E50 H51 | R43-Q47 WeakPolarHBondContact O-CG 3.29Å; R43-Q47 PolarHBondContact O-N 3.46Å; N44-Q47 CarbonylContact O-C 3.6Å; N44-Q47 WeakPolarHBondContact O-CA 3.43Å; N44-Q47 WeakPolarHBondContact O-CB 3.43Å; N44-Q47 PolarHBondContact O-N 3.47Å; Q47-I49 VanDerWaalsContact C-N 3.31Å; Q47-I49 PolarHBondContact O-N 3.4Å; Q47-E50 PolarHBondContact O-N 2.84Å; Q47-H51 PolarHBondContact O-CD2 3.08Å; Q47-H51 VanDerWaalsContact O-CD2 3.25Å; Q47-H51 PolarHBondContact O-N 2.76Å |
| 48 | E | 86.7 | Confident | 88.1 | Confident | 34 Ų | 34 | 72.9 Ų | 72.9 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.2 | -64.4 | -54.9 | 136.3 | 0 | 0 | 112.2 | N44 I45 F52 Y168 V171 | N44-E48 WeakPolarHBondContact O-CG 3.15Å; N44-E48 PolarHBondContact O-N 2.71Å; I45-E48 PolarHBondContact O-N 3.23Å; E48-F52 VanDerWaalsContact O-CB 3.27Å; E48-F52 WeakPolarHBondContact O-CB 3.35Å; E48-F52 PolarHBondContact O-N 2.04Å; E48-Y168 VanDerWaalsContact OE2-CD1 3.28Å; E48-Y168 WeakPolarHBondContact OE2-CD1 3.36Å; E48-V171 HydrophobicContact CG-CG1 3.84Å |
| 49 | I | 87 | Confident | 88.7 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 173.5 | -70.8 | 165.3 | 0 | 0 | 0 | 110.8 | I45 G46 Q47 F52 R53 F172 | I45-I49 HydrophobicContact CG2-CD1 4.08Å; I45-I49 VanDerWaalsContact O-CG1 3.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.4Å; I45-I49 PolarHBondContact O-N 2.83Å; G46-I49 PolarHBondContact O-N 3.07Å; Q47-I49 VanDerWaalsContact C-N 3.31Å; Q47-I49 PolarHBondContact O-N 3.4Å; I49-F52 PolarHBondContact O-N 3.43Å; I49-R53 VanDerWaalsContact O-CG 3.3Å; I49-R53 WeakPolarHBondContact O-CG 3.35Å; I49-R53 PolarHBondContact O-N 3.47Å; I49-F172 HydrophobicContact CD1-CE2 4.02Å; I49-F172 HydrophobicContact CG1-CD2 4.09Å; I49-F172 HydrophobicContact CG1-CE2 3.99Å |
| 50 | E | 91.4 | Very high | 89.2 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 178.3 | -68.1 | -54 | 126.6 | 0 | 0 | 111.3 | G46 Q47 F52 R53 E54 | G46-E50 PolarHBondContact O-N 2.69Å; G46-E50 VanDerWaalsContact O-N 3.16Å; Q47-E50 PolarHBondContact O-N 2.84Å; E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 PolarHBondContact O-N 2.78Å; E50-R53 WeakPolarHBondContact O-CB 3.45Å; E50-R53 PolarHBondContact O-N 3.36Å; E50-R53 IonicContact OE1-CZ 2.64Å; E50-R53 IonicContact OE1-NH1 2.8Å; E50-R53 PolarHBondContact OE1-NH1 3.06Å; E50-E54 WeakPolarHBondContact O-CG 3.21Å; E50-E54 PolarHBondContact O-N 3.34Å |
| 51 | H | 90.4 | Very high | 89.7 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 174.8 | -69.3 | -39.4 | 0 | 0 | 0 | 112.9 | Q47 E54 N55 Y168 | Q47-H51 PolarHBondContact O-CD2 3.08Å; Q47-H51 VanDerWaalsContact O-CD2 3.25Å; Q47-H51 PolarHBondContact O-N 2.76Å; H51-E54 IonicContact ND1-OE2 2.67Å; H51-E54 PolarHBondContact ND1-OE2 3.45Å; H51-N55 VanDerWaalsContact O-CB 3.3Å; H51-N55 WeakPolarHBondContact O-CB 3.14Å; H51-N55 PolarHBondContact O-N 3.33Å; H51-Y168 HydrophobicContact CB-CD1 4.07Å; H51-Y168 HydrophobicContact CB-CE1 3.57Å; H51-Y168 HydrophobicContact CB-CE2 4.31Å |
| 52 | F | 89.1 | Confident | 90.2 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 25% | 0.254 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.2 | 180 | -89.9 | 0 | 0 | 0 | 111.8 | E48 I49 E50 N55 E56 R165 V169 | E48-F52 VanDerWaalsContact O-CB 3.27Å; E48-F52 WeakPolarHBondContact O-CB 3.35Å; E48-F52 PolarHBondContact O-N 2.04Å; I49-F52 PolarHBondContact O-N 3.43Å; E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 PolarHBondContact O-N 2.78Å; F52-N55 PolarHBondContact O-N 2.9Å; F52-E56 WeakPolarHBondContact O-CB 3.46Å; F52-E56 PolarHBondContact O-N 2.89Å; F52-R165 HydrophobicContact CE2-CG 3.62Å; F52-R165 HydrophobicContact CZ-CG 4.2Å; F52-V169 HydrophobicContact CD2-CG2 4.15Å; F52-V169 HydrophobicContact CE2-CG2 3.67Å |
| 53 | R | 92.8 | Very high | 90.5 | Very high | 147 Ų | 147 | 67.1 Ų | 67.1 | 56% | 0.555 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 178 | -73.4 | 167.9 | 174.3 | 178.1 | -3.6 | 112 | I49 E50 E56 A57 | I49-R53 VanDerWaalsContact O-CG 3.3Å; I49-R53 WeakPolarHBondContact O-CG 3.35Å; I49-R53 PolarHBondContact O-N 3.47Å; E50-R53 WeakPolarHBondContact O-CB 3.45Å; E50-R53 PolarHBondContact O-N 3.36Å; E50-R53 IonicContact OE1-CZ 2.64Å; E50-R53 IonicContact OE1-NH1 2.8Å; E50-R53 PolarHBondContact OE1-NH1 3.06Å; R53-E56 PolarHBondContact O-N 3.01Å; R53-A57 WeakPolarHBondContact O-CB 3.45Å; R53-A57 PolarHBondContact O-N 2.98Å |
| 54 | E | 94.4 | Very high | 90.8 | Very high | 118 Ų | 118 | 65.8 Ų | 65.8 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.7 | -48.7 | 174.9 | -70.8 | 172.8 | 163.5 | 0 | 0 | 110.8 | E50 H51 E56 A57 E58 | E50-E54 WeakPolarHBondContact O-CG 3.21Å; E50-E54 PolarHBondContact O-N 3.34Å; H51-E54 IonicContact ND1-OE2 2.67Å; H51-E54 PolarHBondContact ND1-OE2 3.45Å; E54-E56 PolarHBondContact O-N 3.48Å; E54-A57 PolarHBondContact O-N 3.25Å; E54-E58 PolarHBondContact O-N 3.29Å |
| 55 | N | 93.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177 | -177.1 | 89.2 | 0 | 0 | 0 | 112.3 | H51 F52 E58 F59 L161 K164 R165 Y168 | H51-N55 VanDerWaalsContact O-CB 3.3Å; H51-N55 WeakPolarHBondContact O-CB 3.14Å; H51-N55 PolarHBondContact O-N 3.33Å; F52-N55 PolarHBondContact O-N 2.9Å; N55-E58 PolarHBondContact O-N 3.27Å; N55-F59 VanDerWaalsContact O-CB 3.27Å; N55-F59 WeakPolarHBondContact O-CB 3.17Å; N55-F59 PolarHBondContact O-N 3.26Å; N55-L161 PolarHBondContact ND2-O 3.44Å; N55-L161 VanDerWaalsContact ND2-O 3.07Å; N55-L161 VanDerWaalsContact OD1-CD2 3.29Å; N55-L161 WeakPolarHBondContact OD1-CD2 3.27Å; N55-K164 WeakPolarHBondContact OD1-CB 3.5Å; N55-R165 PolarHBondContact ND2-N 2.97Å; N55-Y168 HydrophobicContact CB-CD2 4.21Å; N55-Y168 HydrophobicContact CB-CE2 3.96Å |
| 56 | E | 92.8 | Very high | 91.2 | Very high | 44 Ų | 44 | 68 Ų | 68 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 178.8 | -166.7 | 71.6 | 176.7 | 0 | 0 | 111.6 | F52 R53 E54 F59 M60 R165 | F52-E56 WeakPolarHBondContact O-CB 3.46Å; F52-E56 PolarHBondContact O-N 2.89Å; R53-E56 PolarHBondContact O-N 3.01Å; E54-E56 PolarHBondContact O-N 3.48Å; E56-F59 PolarHBondContact O-N 3.07Å; E56-M60 WeakPolarHBondContact O-CB 3.11Å; E56-M60 VanDerWaalsContact O-CG 3.25Å; E56-M60 WeakPolarHBondContact O-CG 3.41Å; E56-M60 PolarHBondContact O-N 2.93Å; E56-R165 VanDerWaalsContact CD-NH1 3.31Å; E56-R165 IonicContact OE1-CZ 3.69Å; E56-R165 IonicContact OE1-NH1 3.14Å; E56-R165 PolarHBondContact OE1-NH1 3.49Å; E56-R165 IonicContact OE1-NH2 3.26Å; E56-R165 IonicContact OE2-CZ 2.7Å; E56-R165 IonicContact OE2-NE 2.67Å; E56-R165 IonicContact OE2-NH1 3.56Å; E56-R165 PolarHBondContact OE2-NH1 3.33Å |
| 57 | A | 95.7 | Very high | 91.4 | Very high | 66 Ų | 66 | 68 Ų | 68 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R53 E54 M60 K61 | R53-A57 WeakPolarHBondContact O-CB 3.45Å; R53-A57 PolarHBondContact O-N 2.98Å; E54-A57 PolarHBondContact O-N 3.25Å; A57-M60 PolarHBondContact O-N 3.48Å; A57-K61 WeakPolarHBondContact O-CB 3.45Å; A57-K61 PolarHBondContact O-N 3.49Å |
| 58 | E | 94.5 | Very high | 91.3 | Very high | 98 Ų | 98 | 69 Ų | 69 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 175.8 | -169 | 175.6 | -170.3 | 0 | 0 | 111.5 | E54 N55 M60 K61 I62 L161 | E54-E58 PolarHBondContact O-N 3.29Å; N55-E58 PolarHBondContact O-N 3.27Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 3.46Å; E58-K61 WeakPolarHBondContact O-CB 3Å; E58-K61 PolarHBondContact O-N 3.29Å; E58-K61 VanDerWaalsContact O-N 3.15Å; E58-I62 HydrophobicContact CG-CG1 4.48Å; E58-I62 WeakPolarHBondContact O-CG1 3.12Å; E58-I62 PolarHBondContact O-N 2.93Å; E58-L161 HydrophobicContact CB-CD1 4.34Å; E58-L161 HydrophobicContact CB-CD2 4.36Å; E58-L161 HydrophobicContact CG-CD1 3.88Å; E58-L161 HydrophobicContact CG-CD2 4.24Å |
| 59 | F | 93.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.2 | -47.8 | 175.8 | 172.9 | -95.2 | 0 | 0 | 0 | 111.7 | N55 E56 K61 I62 K63 L81 I158 L161 I162 | N55-F59 VanDerWaalsContact O-CB 3.27Å; N55-F59 WeakPolarHBondContact O-CB 3.17Å; N55-F59 PolarHBondContact O-N 3.26Å; E56-F59 PolarHBondContact O-N 3.07Å; F59-K61 VanDerWaalsContact C-N 3.34Å; F59-K61 PolarHBondContact O-N 2.91Å; F59-I62 PolarHBondContact O-N 3.36Å; F59-K63 HydrophobicContact CE1-CD 4.22Å; F59-K63 WeakPolarHBondContact O-CB 3.5Å; F59-K63 PolarHBondContact O-N 3.07Å; F59-L81 HydrophobicContact CE2-CD1 4.16Å; F59-L81 HydrophobicContact CZ-CD1 3.8Å; F59-I158 HydrophobicContact CD2-CD1 4.27Å; F59-I158 HydrophobicContact CD2-CG1 3.69Å; F59-I158 HydrophobicContact CE2-CD1 3.96Å; F59-I158 HydrophobicContact CE2-CG1 3.57Å; F59-L161 HydrophobicContact CB-CB 4.24Å; F59-L161 HydrophobicContact CB-CD1 4.39Å; F59-L161 HydrophobicContact CD2-CB 4.15Å; F59-I162 HydrophobicContact CD2-CG1 4.16Å; F59-I162 HydrophobicContact CE2-CD1 4.11Å; F59-I162 HydrophobicContact CE2-CG1 3.52Å; F59-I162 HydrophobicContact CZ-CG1 4.36Å |
| 60 | M | 94 | Very high | 91.1 | Very high | 101 Ų | 101 | 69.6 Ų | 69.6 | 50% | 0.498 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 179.6 | -71.1 | -61.3 | -72.5 | 0 | 0 | 112.3 | E56 A57 E58 K63 H64 | E56-M60 WeakPolarHBondContact O-CB 3.11Å; E56-M60 VanDerWaalsContact O-CG 3.25Å; E56-M60 WeakPolarHBondContact O-CG 3.41Å; E56-M60 PolarHBondContact O-N 2.93Å; A57-M60 PolarHBondContact O-N 3.48Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 3.46Å; M60-K63 HydrophobicContact SD-CD 4.4Å; M60-H64 WeakPolarHBondContact O-CB 3.4Å; M60-H64 PolarHBondContact O-N 3.04Å |
| 61 | K | 93.8 | Very high | 90.6 | Very high | 132 Ų | 132 | 69 Ų | 69 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.8 | -52 | 175.1 | -179.6 | -173.9 | 174.3 | -171.2 | 0 | 111.4 | A57 E58 F59 H64 Q65 | A57-K61 WeakPolarHBondContact O-CB 3.45Å; A57-K61 PolarHBondContact O-N 3.49Å; E58-K61 WeakPolarHBondContact O-CB 3Å; E58-K61 PolarHBondContact O-N 3.29Å; E58-K61 VanDerWaalsContact O-N 3.15Å; F59-K61 VanDerWaalsContact C-N 3.34Å; F59-K61 PolarHBondContact O-N 2.91Å; K61-H64 PolarHBondContact O-N 3.01Å; K61-Q65 WeakPolarHBondContact O-CG 3.3Å; K61-Q65 PolarHBondContact O-N 3.36Å |
| 62 | I | 90.8 | Very high | 90 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | -180 | -59.2 | -53.8 | 0 | 0 | 0 | 110.7 | E58 F59 H64 Q65 I66 V157 I158 L161 | E58-I62 HydrophobicContact CG-CG1 4.48Å; E58-I62 WeakPolarHBondContact O-CG1 3.12Å; E58-I62 PolarHBondContact O-N 2.93Å; F59-I62 PolarHBondContact O-N 3.36Å; I62-H64 VanDerWaalsContact C-N 3.28Å; I62-H64 PolarHBondContact O-N 3.2Å; I62-Q65 PolarHBondContact O-N 2.94Å; I62-Q65 VanDerWaalsContact O-N 3.13Å; I62-I66 HydrophobicContact CG2-CD1 3.95Å; I62-I66 HydrophobicContact CG2-CG1 4.38Å; I62-I66 WeakPolarHBondContact O-CG1 3.47Å; I62-I66 PolarHBondContact O-N 3.15Å; I62-V157 HydrophobicContact CG1-CG1 4.29Å; I62-I158 HydrophobicContact CG2-CB 4.2Å; I62-I158 HydrophobicContact CG2-CD1 4.45Å; I62-L161 HydrophobicContact CG1-CD1 4.22Å |
| 63 | K | 92.1 | Very high | 89.3 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 18% | 0.183 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53.3 | -47.1 | 174 | 179.5 | -177.2 | 172.7 | 178.7 | 0 | 111.5 | F59 M60 I66 N67 I77 D78 L81 I158 | F59-K63 HydrophobicContact CE1-CD 4.22Å; F59-K63 WeakPolarHBondContact O-CB 3.5Å; F59-K63 PolarHBondContact O-N 3.07Å; M60-K63 HydrophobicContact SD-CD 4.4Å; K63-I66 PolarHBondContact O-N 3.41Å; K63-N67 WeakPolarHBondContact O-CB 3.37Å; K63-N67 PolarHBondContact O-N 3.43Å; K63-I77 HydrophobicContact CG-CG2 4.31Å; K63-D78 VanDerWaalsContact CE-CG 3.46Å; K63-D78 WeakPolarHBondContact CE-OD1 3.32Å; K63-D78 WeakPolarHBondContact CE-OD2 3.41Å; K63-D78 IonicContact NZ-OD1 2.71Å; K63-D78 PolarHBondContact NZ-OD1 3.33Å; K63-D78 VanDerWaalsContact NZ-OD1 3.17Å; K63-D78 IonicContact NZ-OD2 3.01Å; K63-D78 PolarHBondContact NZ-OD2 3.33Å; K63-L81 HydrophobicContact CB-CD1 4.48Å; K63-L81 HydrophobicContact CD-CD1 4Å; K63-L81 HydrophobicContact CG-CD1 3.94Å; K63-I158 HydrophobicContact CB-CD1 3.84Å |
| 64 | H | 91.3 | Very high | 88.5 | Confident | 119 Ų | 119 | 71.6 Ų | 71.6 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 178.7 | -179.4 | 65.7 | 0 | 0 | 0 | 111.9 | M60 K61 I62 I66 N67 M68 | M60-H64 WeakPolarHBondContact O-CB 3.4Å; M60-H64 PolarHBondContact O-N 3.04Å; K61-H64 PolarHBondContact O-N 3.01Å; I62-H64 VanDerWaalsContact C-N 3.28Å; I62-H64 PolarHBondContact O-N 3.2Å; H64-I66 PolarHBondContact O-N 2.92Å; H64-N67 PolarHBondContact O-N 2.87Å; H64-M68 WeakPolarHBondContact O-CG 3.03Å; H64-M68 PolarHBondContact O-N 3.47Å |
| 65 | Q | 88.8 | Confident | 88 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 177.3 | -72.4 | 174.6 | -32.9 | 0 | 0 | 112.3 | K61 I62 M68 Q69 | K61-Q65 WeakPolarHBondContact O-CG 3.3Å; K61-Q65 PolarHBondContact O-N 3.36Å; I62-Q65 PolarHBondContact O-N 2.94Å; I62-Q65 VanDerWaalsContact O-N 3.13Å; Q65-M68 PolarHBondContact O-N 3.28Å; Q65-Q69 WeakPolarHBondContact O-CG 3.37Å; Q65-Q69 PolarHBondContact O-N 3.3Å; Q65-Q69 VanDerWaalsContact O-N 3.12Å |
| 66 | I | 88.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 175.8 | -63.9 | 169.8 | 0 | 0 | 0 | 110.4 | I62 K63 H64 M68 Q69 L70 I77 D154 I158 | I62-I66 HydrophobicContact CG2-CD1 3.95Å; I62-I66 HydrophobicContact CG2-CG1 4.38Å; I62-I66 WeakPolarHBondContact O-CG1 3.47Å; I62-I66 PolarHBondContact O-N 3.15Å; K63-I66 PolarHBondContact O-N 3.41Å; H64-I66 PolarHBondContact O-N 2.92Å; I66-M68 VanDerWaalsContact C-N 3.27Å; I66-M68 PolarHBondContact O-N 3.5Å; I66-Q69 WeakPolarHBondContact O-CB 3.35Å; I66-Q69 PolarHBondContact O-N 2.92Å; I66-Q69 VanDerWaalsContact O-N 3.09Å; I66-L70 HydrophobicContact CG2-CD1 3.79Å; I66-L70 HydrophobicContact CG2-CG 4.27Å; I66-L70 WeakPolarHBondContact O-CG 3.1Å; I66-L70 PolarHBondContact O-N 2.8Å; I66-I77 HydrophobicContact CD1-CD1 3.88Å; I66-I77 HydrophobicContact CG2-CB 4.01Å; I66-I77 HydrophobicContact CG2-CD1 3.91Å; I66-I77 HydrophobicContact CG2-CG2 4.11Å; I66-D154 HydrophobicContact CD1-CB 3.89Å; I66-D154 HydrophobicContact CG1-CB 3.81Å; I66-I158 HydrophobicContact CD1-CB 4.37Å; I66-I158 HydrophobicContact CD1-CD1 4.03Å; I66-I158 HydrophobicContact CD1-CG2 4.18Å |
| 67 | N | 89.3 | Confident | 87.5 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63 | -33.3 | 179.2 | -80.5 | -17.3 | 0 | 0 | 0 | 112.6 | K63 H64 L70 S71 T76 I77 D78 | K63-N67 WeakPolarHBondContact O-CB 3.37Å; K63-N67 PolarHBondContact O-N 3.43Å; H64-N67 PolarHBondContact O-N 2.87Å; N67-L70 PolarHBondContact O-N 3.49Å; N67-S71 PolarHBondContact O-N 2.71Å; N67-T76 WeakPolarHBondContact OD1-CA 3.12Å; N67-T76 WeakPolarHBondContact OD1-CB 3.27Å; N67-I77 PolarHBondContact OD1-N 2.89Å; N67-D78 PolarHBondContact ND2-OD1 3.38Å |
| 68 | M | 87.4 | Confident | 87.3 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 55% | 0.547 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 172.9 | -74.5 | -59.2 | -56.9 | 0 | 0 | 112 | H64 Q65 I66 L70 S71 | H64-M68 WeakPolarHBondContact O-CG 3.03Å; H64-M68 PolarHBondContact O-N 3.47Å; Q65-M68 PolarHBondContact O-N 3.28Å; I66-M68 VanDerWaalsContact C-N 3.27Å; I66-M68 PolarHBondContact O-N 3.5Å; M68-L70 VanDerWaalsContact C-N 3.35Å; M68-S71 WeakPolarHBondContact O-CB 3.34Å; M68-S71 PolarHBondContact O-N 3.26Å; M68-S71 PolarHBondContact O-OG 3.33Å |
| 69 | Q | 84.9 | Confident | 87 | Confident | 102 Ų | 102 | 73.3 Ų | 73.3 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 175 | -67.2 | 167.4 | -3.3 | 0 | 0 | 111.8 | Q65 I66 S71 | Q65-Q69 WeakPolarHBondContact O-CG 3.37Å; Q65-Q69 PolarHBondContact O-N 3.3Å; Q65-Q69 VanDerWaalsContact O-N 3.12Å; I66-Q69 WeakPolarHBondContact O-CB 3.35Å; I66-Q69 PolarHBondContact O-N 2.92Å; I66-Q69 VanDerWaalsContact O-N 3.09Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 3.05Å |
| 70 | L | 84.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -78.5 | -9.8 | 178.7 | -64.8 | 174.8 | 0 | 0 | 0 | 114 | I66 N67 M68 G72 E73 Q75 I77 P147 V148 | I66-L70 HydrophobicContact CG2-CD1 3.79Å; I66-L70 HydrophobicContact CG2-CG 4.27Å; I66-L70 WeakPolarHBondContact O-CG 3.1Å; I66-L70 PolarHBondContact O-N 2.8Å; N67-L70 PolarHBondContact O-N 3.49Å; M68-L70 VanDerWaalsContact C-N 3.35Å; L70-G72 PolarHBondContact O-N 3.18Å; L70-G72 VanDerWaalsContact O-N 3.14Å; L70-E73 PolarHBondContact O-N 3.16Å; L70-Q75 HydrophobicContact CB-CB 4.47Å; L70-Q75 WeakPolarHBondContact CB-O 3.39Å; L70-I77 HydrophobicContact CD1-CB 4.31Å; L70-P147 HydrophobicContact CD1-CB 3.87Å; L70-P147 HydrophobicContact CD1-CG 3.53Å; L70-P147 HydrophobicContact CD2-CB 4.1Å; L70-P147 HydrophobicContact CD2-CG 4.43Å; L70-V148 WeakPolarHBondContact CD2-O 3.33Å |
| 71 | S | 81.2 | Confident | 86.6 | Confident | 76 Ų | 76 | 69 Ų | 69 | 53% | 0.531 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -59.6 | -29.1 | -174.5 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | N67 M68 Q69 E73 | N67-S71 PolarHBondContact O-N 2.71Å; M68-S71 WeakPolarHBondContact O-CB 3.34Å; M68-S71 PolarHBondContact O-N 3.26Å; M68-S71 PolarHBondContact O-OG 3.33Å; Q69-S71 VanDerWaalsContact C-N 3.3Å; Q69-S71 PolarHBondContact O-N 3.05Å; S71-E73 PolarHBondContact O-N 2.99Å |
| 72 | G | 77 | Confident | 86.5 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 75% | 0.753 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -68.1 | -17.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L70 | L70-G72 PolarHBondContact O-N 3.18Å; L70-G72 VanDerWaalsContact O-N 3.14Å |
| 73 | E | 74.7 | Confident | 86.4 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 43% | 0.425 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -105.9 | -0.4 | -175.7 | -57.5 | -172.4 | -176.6 | 0 | 0 | 113.2 | L70 S71 Q75 | L70-E73 PolarHBondContact O-N 3.16Å; S71-E73 PolarHBondContact O-N 2.99Å; E73-Q75 HydrophobicContact CB-CB 4.37Å; E73-Q75 HydrophobicContact CB-CG 4.15Å; E73-Q75 PolarHBondContact O-N 3.39Å |
| 74 | I | 77 | Confident | 86.4 | Confident | 170 Ų | 170 | 68.1 Ų | 68.1 | 87% | 0.872 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 33.5 | -173.5 | -40.9 | 176.2 | 0 | 0 | 0 | 110.7 | ||
| 75 | Q | 82.5 | Confident | 86.4 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | trans | -115.9 | 158.8 | 177.4 | -66.5 | -174.1 | 4.8 | 0 | 0 | 110.8 | L70 E73 P147 | L70-Q75 HydrophobicContact CB-CB 4.47Å; L70-Q75 WeakPolarHBondContact CB-O 3.39Å; E73-Q75 HydrophobicContact CB-CB 4.37Å; E73-Q75 HydrophobicContact CB-CG 4.15Å; E73-Q75 PolarHBondContact O-N 3.39Å; Q75-P147 HydrophobicContact CB-CB 4.23Å | ||
| 76 | T | 87.7 | Confident | 86.5 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | trans | -135.5 | 158.7 | 169.1 | 70.8 | 0 | 0 | 0 | 0 | 109.3 | N67 D78 | N67-T76 WeakPolarHBondContact OD1-CA 3.12Å; N67-T76 WeakPolarHBondContact OD1-CB 3.27Å; T76-D78 PolarHBondContact O-N 2.91Å; T76-D78 PolarHBondContact OG1-N 3.21Å | ||
| 77 | I | 89.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -81.9 | -3.8 | 173.9 | -160.5 | 169.5 | 0 | 0 | 0 | 112.4 | K63 I66 N67 L70 E79 Y80 L81 L146 P147 I155 I158 | K63-I77 HydrophobicContact CG-CG2 4.31Å; I66-I77 HydrophobicContact CD1-CD1 3.88Å; I66-I77 HydrophobicContact CG2-CB 4.01Å; I66-I77 HydrophobicContact CG2-CD1 3.91Å; I66-I77 HydrophobicContact CG2-CG2 4.11Å; N67-I77 PolarHBondContact OD1-N 2.89Å; L70-I77 HydrophobicContact CD1-CB 4.31Å; I77-E79 PolarHBondContact O-N 3.21Å; I77-Y80 HydrophobicContact CD1-CD1 4Å; I77-Y80 HydrophobicContact CD1-CE1 4.45Å; I77-Y80 HydrophobicContact CG1-CD1 3.74Å; I77-Y80 HydrophobicContact CG1-CG 4.31Å; I77-Y80 WeakPolarHBondContact O-CB 3.39Å; I77-Y80 PolarHBondContact O-N 2.9Å; I77-Y80 VanDerWaalsContact O-N 3.1Å; I77-L81 HydrophobicContact CB-CG 4.47Å; I77-L81 HydrophobicContact CD1-CD2 4.11Å; I77-L81 HydrophobicContact CD1-CG 4.47Å; I77-L81 HydrophobicContact CG1-CD2 4.13Å; I77-L81 HydrophobicContact CG1-CG 4Å; I77-L81 HydrophobicContact CG2-CD1 3.62Å; I77-L81 HydrophobicContact CG2-CG 3.99Å; I77-L81 WeakPolarHBondContact O-CG 3.48Å; I77-L81 PolarHBondContact O-N 3.1Å; I77-L146 HydrophobicContact CD1-CD1 4.42Å; I77-P147 HydrophobicContact CB-CG 4.28Å; I77-P147 HydrophobicContact CG1-CG 4.27Å; I77-I155 HydrophobicContact CD1-CG1 4.5Å; I77-I158 HydrophobicContact CD1-CG2 4.29Å |
| 78 | D | 90.4 | Very high | 86.6 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | -168.7 | -73.8 | 30 | 0 | 0 | 0 | 113.5 | K63 N67 T76 Y80 L81 M82 | K63-D78 VanDerWaalsContact CE-CG 3.46Å; K63-D78 WeakPolarHBondContact CE-OD1 3.32Å; K63-D78 WeakPolarHBondContact CE-OD2 3.41Å; K63-D78 IonicContact NZ-OD1 2.71Å; K63-D78 PolarHBondContact NZ-OD1 3.33Å; K63-D78 VanDerWaalsContact NZ-OD1 3.17Å; K63-D78 IonicContact NZ-OD2 3.01Å; K63-D78 PolarHBondContact NZ-OD2 3.33Å; N67-D78 PolarHBondContact ND2-OD1 3.38Å; T76-D78 PolarHBondContact O-N 2.91Å; T76-D78 PolarHBondContact OG1-N 3.21Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.92Å; D78-L81 PolarHBondContact O-N 3.17Å; D78-M82 WeakPolarHBondContact O-CB 3.41Å; D78-M82 PolarHBondContact O-N 3.38Å |
| 79 | E | 88.2 | Confident | 86.7 | Confident | 157 Ų | 157 | 62.4 Ų | 62.4 | 73% | 0.734 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 177.6 | -67.3 | -173.7 | 167.4 | 0 | 0 | 112 | I77 C83 | I77-E79 PolarHBondContact O-N 3.21Å; E79-C83 WeakPolarHBondContact O-CB 3.43Å; E79-C83 PolarHBondContact O-N 2.95Å |
| 80 | Y | 89.4 | Confident | 86.8 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 8% | 0.078 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 175.5 | 172.6 | -97.5 | 0 | 0 | 0 | 110.6 | I77 D78 M82 C83 R84 C144 L146 I155 E159 | I77-Y80 HydrophobicContact CD1-CD1 4Å; I77-Y80 HydrophobicContact CD1-CE1 4.45Å; I77-Y80 HydrophobicContact CG1-CD1 3.74Å; I77-Y80 HydrophobicContact CG1-CG 4.31Å; I77-Y80 WeakPolarHBondContact O-CB 3.39Å; I77-Y80 PolarHBondContact O-N 2.9Å; I77-Y80 VanDerWaalsContact O-N 3.1Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.92Å; Y80-M82 VanDerWaalsContact C-N 3.32Å; Y80-M82 PolarHBondContact O-N 2.97Å; Y80-C83 WeakPolarHBondContact O-CB 3.49Å; Y80-C83 PolarHBondContact O-N 3.23Å; Y80-R84 HydrophobicContact CD1-CG 4.29Å; Y80-R84 HydrophobicContact CD2-CG 4.29Å; Y80-R84 HydrophobicContact CE1-CG 3.92Å; Y80-R84 HydrophobicContact CE2-CG 3.9Å; Y80-R84 HydrophobicContact CG-CG 4.47Å; Y80-R84 WeakPolarHBondContact O-CG 3.28Å; Y80-R84 PolarHBondContact O-N 3.41Å; Y80-C144 HydrophobicContact CD2-CB 3.87Å; Y80-C144 HydrophobicContact CE2-CB 4.11Å; Y80-L146 HydrophobicContact CD1-CD1 3.87Å; Y80-L146 HydrophobicContact CD2-CB 4.04Å; Y80-L146 HydrophobicContact CD2-CD1 3.95Å; Y80-L146 HydrophobicContact CE1-CD1 3.73Å; Y80-L146 HydrophobicContact CE2-CB 4.06Å; Y80-L146 HydrophobicContact CE2-CD1 3.83Å; Y80-L146 HydrophobicContact CG-CD1 3.96Å; Y80-I155 HydrophobicContact CE1-CG2 4.28Å; Y80-E159 HydrophobicContact CE1-CG 4.44Å; Y80-E159 VanDerWaalsContact OH-CD 3.25Å; Y80-E159 PolarHBondContact OH-OE1 3.38Å |
| 81 | L | 90.8 | Very high | 87.1 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | -179.8 | -61.1 | 178.7 | 0 | 0 | 0 | 111.9 | F59 K63 I77 D78 R84 S85 I158 I162 | F59-L81 HydrophobicContact CE2-CD1 4.16Å; F59-L81 HydrophobicContact CZ-CD1 3.8Å; K63-L81 HydrophobicContact CB-CD1 4.48Å; K63-L81 HydrophobicContact CD-CD1 4Å; K63-L81 HydrophobicContact CG-CD1 3.94Å; I77-L81 HydrophobicContact CB-CG 4.47Å; I77-L81 HydrophobicContact CD1-CD2 4.11Å; I77-L81 HydrophobicContact CD1-CG 4.47Å; I77-L81 HydrophobicContact CG1-CD2 4.13Å; I77-L81 HydrophobicContact CG1-CG 4Å; I77-L81 HydrophobicContact CG2-CD1 3.62Å; I77-L81 HydrophobicContact CG2-CG 3.99Å; I77-L81 WeakPolarHBondContact O-CG 3.48Å; I77-L81 PolarHBondContact O-N 3.1Å; D78-L81 PolarHBondContact O-N 3.17Å; L81-R84 PolarHBondContact O-N 3.45Å; L81-S85 WeakPolarHBondContact O-CB 3.44Å; L81-S85 PolarHBondContact O-N 3.15Å; L81-S85 PolarHBondContact O-OG 2.87Å; L81-I158 HydrophobicContact CD1-CD1 3.58Å; L81-I158 HydrophobicContact CD1-CG1 4.43Å; L81-I158 HydrophobicContact CD2-CB 4.48Å; L81-I158 HydrophobicContact CD2-CD1 3.7Å; L81-I158 HydrophobicContact CD2-CG1 3.87Å; L81-I158 HydrophobicContact CD2-CG2 3.76Å; L81-I158 HydrophobicContact CG-CD1 4.29Å; L81-I162 HydrophobicContact CB-CD1 4.32Å; L81-I162 HydrophobicContact CD2-CD1 3.65Å |
| 82 | M | 90.6 | Very high | 87.4 | Confident | 117 Ų | 117 | 57.2 Ų | 57.2 | 58% | 0.576 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.8 | -49.4 | 175.2 | -176.7 | 176.6 | 67.5 | 0 | 0 | 110.7 | D78 Y80 R84 S85 E86 | D78-M82 WeakPolarHBondContact O-CB 3.41Å; D78-M82 PolarHBondContact O-N 3.38Å; Y80-M82 VanDerWaalsContact C-N 3.32Å; Y80-M82 PolarHBondContact O-N 2.97Å; M82-R84 VanDerWaalsContact C-N 3.35Å; M82-R84 PolarHBondContact O-N 3.39Å; M82-S85 PolarHBondContact O-N 3.05Å; M82-E86 WeakPolarHBondContact O-CG 3.28Å; M82-E86 PolarHBondContact O-N 3.46Å; M82-E86 VanDerWaalsContact O-N 3.07Å |
| 83 | C | 90.2 | Very high | 87.7 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | E79 Y80 E86 C144 | E79-C83 WeakPolarHBondContact O-CB 3.43Å; E79-C83 PolarHBondContact O-N 2.95Å; Y80-C83 WeakPolarHBondContact O-CB 3.49Å; Y80-C83 PolarHBondContact O-N 3.23Å; C83-E86 PolarHBondContact O-N 3.04Å; C83-C144 HydrophobicContact CB-CB 3.73Å; C83-C144 WeakPolarHBondContact CB-SG 2.88Å; C83-C144 WeakPolarHBondContact SG-CA 3.29Å; C83-C144 WeakPolarHBondContact SG-CB 3.37Å; C83-C144 CovalentContact SG-SG 2.04Å; C83-C144 PolarHBondContact SG-SG 2.93Å |
| 84 | R | 90.9 | Very high | 88.3 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 18% | 0.181 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 177.6 | -62.1 | -61.4 | -73.4 | 158.5 | -3.8 | 112.5 | Y80 L81 M82 E86 L87 Y88 C144 E159 I162 | Y80-R84 HydrophobicContact CD1-CG 4.29Å; Y80-R84 HydrophobicContact CD2-CG 4.29Å; Y80-R84 HydrophobicContact CE1-CG 3.92Å; Y80-R84 HydrophobicContact CE2-CG 3.9Å; Y80-R84 HydrophobicContact CG-CG 4.47Å; Y80-R84 WeakPolarHBondContact O-CG 3.28Å; Y80-R84 PolarHBondContact O-N 3.41Å; L81-R84 PolarHBondContact O-N 3.45Å; M82-R84 VanDerWaalsContact C-N 3.35Å; M82-R84 PolarHBondContact O-N 3.39Å; R84-E86 VanDerWaalsContact C-N 3.27Å; R84-E86 PolarHBondContact O-N 3.07Å; R84-L87 WeakPolarHBondContact O-CB 3.27Å; R84-L87 PolarHBondContact O-N 2.86Å; R84-Y88 HydrophobicContact CB-CD2 4.44Å; R84-Y88 HydrophobicContact CB-CE2 4.21Å; R84-Y88 PolarHBondContact NH2-OH 3.47Å; R84-Y88 WeakPolarHBondContact O-CD2 3.21Å; R84-Y88 PolarHBondContact O-N 3.07Å; R84-C144 HydrophobicContact CG-CB 4.4Å; R84-E159 IonicContact CZ-OE1 3.28Å; R84-E159 IonicContact NE-OE1 3.94Å; R84-E159 PolarHBondContact NE-OE1 3.11Å; R84-E159 IonicContact NH2-OE1 2.63Å; R84-E159 PolarHBondContact NH2-OE1 3.09Å; R84-I162 HydrophobicContact CB-CD1 4.39Å |
| 85 | S | 91.3 | Very high | 88.8 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -34.7 | 177.6 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | L81 M82 R89 F166 | L81-S85 WeakPolarHBondContact O-CB 3.44Å; L81-S85 PolarHBondContact O-N 3.15Å; L81-S85 PolarHBondContact O-OG 2.87Å; M82-S85 PolarHBondContact O-N 3.05Å; S85-R89 WeakPolarHBondContact O-CB 3.44Å; S85-R89 PolarHBondContact O-N 3.49Å; S85-F166 WeakPolarHBondContact O-CE2 3.39Å; S85-F166 WeakPolarHBondContact O-CZ 3.22Å |
| 86 | E | 90.4 | Very high | 88.9 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 175 | -71 | 177.6 | 150.8 | 0 | 0 | 112.4 | M82 C83 R84 S90 Y139 K142 | M82-E86 WeakPolarHBondContact O-CG 3.28Å; M82-E86 PolarHBondContact O-N 3.46Å; M82-E86 VanDerWaalsContact O-N 3.07Å; C83-E86 PolarHBondContact O-N 3.04Å; R84-E86 VanDerWaalsContact C-N 3.27Å; R84-E86 PolarHBondContact O-N 3.07Å; E86-S90 PolarHBondContact O-N 3.49Å; E86-S90 VanDerWaalsContact O-N 3.15Å; E86-Y139 HydrophobicContact CB-CD1 3.74Å; E86-Y139 HydrophobicContact CB-CD2 4.19Å; E86-Y139 HydrophobicContact CB-CE1 3.54Å; E86-Y139 HydrophobicContact CB-CE2 4.04Å; E86-Y139 HydrophobicContact CB-CG 4.09Å; E86-Y139 HydrophobicContact CG-CE1 4.11Å; E86-Y139 WeakPolarHBondContact OE2-CE1 3.47Å; E86-K142 IonicContact OE2-NZ 3.05Å; E86-K142 PolarHBondContact OE2-NZ 3.25Å |
| 87 | L | 90.7 | Very high | 88.6 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -52.7 | 175.1 | 177 | 58.2 | 0 | 0 | 0 | 111.6 | R84 R89 S90 I91 V136 R140 | R84-L87 WeakPolarHBondContact O-CB 3.27Å; R84-L87 PolarHBondContact O-N 2.86Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.41Å; L87-S90 PolarHBondContact O-N 3.1Å; L87-S90 VanDerWaalsContact O-N 3.15Å; L87-S90 PolarHBondContact O-OG 3.18Å; L87-I91 HydrophobicContact CD1-CD1 3.93Å; L87-I91 HydrophobicContact CD1-CG1 4.23Å; L87-I91 HydrophobicContact CG-CD1 3.96Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 3.12Å; L87-V136 HydrophobicContact CD1-CG1 4.38Å; L87-R140 HydrophobicContact CD1-CB 4.21Å |
| 88 | Y | 90.9 | Very high | 88.3 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 14% | 0.137 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -35.9 | -177 | -68.5 | -61.2 | 0 | 0 | 0 | 111.9 | R84 S90 I91 E92 I162 L163 | R84-Y88 HydrophobicContact CB-CD2 4.44Å; R84-Y88 HydrophobicContact CB-CE2 4.21Å; R84-Y88 PolarHBondContact NH2-OH 3.47Å; R84-Y88 WeakPolarHBondContact O-CD2 3.21Å; R84-Y88 PolarHBondContact O-N 3.07Å; Y88-S90 PolarHBondContact O-N 3.27Å; Y88-I91 HydrophobicContact CD1-CD1 4.42Å; Y88-I91 PolarHBondContact O-N 3.04Å; Y88-E92 WeakPolarHBondContact O-CB 3.09Å; Y88-E92 WeakPolarHBondContact O-CG 3.47Å; Y88-E92 PolarHBondContact O-N 3.22Å; Y88-I162 HydrophobicContact CD2-CB 4.28Å; Y88-I162 HydrophobicContact CD2-CG2 3.54Å; Y88-I162 HydrophobicContact CE2-CG2 4.3Å; Y88-I162 HydrophobicContact CG-CG2 4.25Å; Y88-L163 HydrophobicContact CD1-CB 4.47Å; Y88-L163 HydrophobicContact CD1-CD1 3.62Å; Y88-L163 HydrophobicContact CE1-CB 4.48Å; Y88-L163 HydrophobicContact CE1-CD1 3.94Å; Y88-L163 HydrophobicContact CG-CD1 4.45Å |
| 89 | R | 88.1 | Confident | 87.9 | Confident | 110 Ų | 110 | 43.4 Ų | 43.4 | 42% | 0.415 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 172.4 | -175.1 | 179.3 | 65 | -179.1 | -1.9 | 112.2 | S85 L87 L93 F166 | S85-R89 WeakPolarHBondContact O-CB 3.44Å; S85-R89 PolarHBondContact O-N 3.49Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.41Å; R89-L93 HydrophobicContact CG-CD1 3.9Å; R89-L93 WeakPolarHBondContact O-CB 3.28Å; R89-L93 VanDerWaalsContact O-CG 3.27Å; R89-L93 WeakPolarHBondContact O-CG 3.34Å; R89-L93 PolarHBondContact O-N 3.24Å; R89-F166 HydrophobicContact CB-CD1 4.13Å; R89-F166 HydrophobicContact CB-CE1 3.59Å; R89-F166 HydrophobicContact CB-CE2 4.46Å; R89-F166 HydrophobicContact CB-CZ 3.79Å; R89-F166 HydrophobicContact CG-CD1 4.42Å; R89-F166 HydrophobicContact CG-CE1 3.89Å; R89-F166 HydrophobicContact CG-CZ 4.49Å |
| 90 | S | 87.7 | Confident | 87.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.9 | -38.1 | -178.9 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | E86 L87 Y88 K94 V136 | E86-S90 PolarHBondContact O-N 3.49Å; E86-S90 VanDerWaalsContact O-N 3.15Å; L87-S90 PolarHBondContact O-N 3.1Å; L87-S90 VanDerWaalsContact O-N 3.15Å; L87-S90 PolarHBondContact O-OG 3.18Å; Y88-S90 PolarHBondContact O-N 3.27Å; S90-K94 WeakPolarHBondContact O-CB 3.44Å; S90-K94 PolarHBondContact O-N 3.25Å; S90-V136 WeakPolarHBondContact OG-CG2 3.42Å |
| 91 | I | 90 | Very high | 86.9 | Confident | 51 Ų | 51 | 36.3 Ų | 36.3 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60 | -51 | 174.2 | -66.5 | 171.1 | 0 | 0 | 0 | 110.4 | L87 Y88 L93 K94 I95 V136 | L87-I91 HydrophobicContact CD1-CD1 3.93Å; L87-I91 HydrophobicContact CD1-CG1 4.23Å; L87-I91 HydrophobicContact CG-CD1 3.96Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 3.12Å; Y88-I91 HydrophobicContact CD1-CD1 4.42Å; Y88-I91 PolarHBondContact O-N 3.04Å; I91-L93 PolarHBondContact O-N 3.45Å; I91-K94 WeakPolarHBondContact O-CB 3.4Å; I91-K94 PolarHBondContact O-N 2.97Å; I91-I95 HydrophobicContact CG2-CD1 3.93Å; I91-I95 WeakPolarHBondContact O-CG1 3.49Å; I91-I95 PolarHBondContact O-N 2.83Å; I91-V136 HydrophobicContact CB-CG2 4.4Å; I91-V136 HydrophobicContact CG1-CG1 4Å; I91-V136 HydrophobicContact CG1-CG2 3.74Å |
| 92 | E | 88.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.8 | -36.9 | -174.3 | -73.6 | -66 | 147.8 | 0 | 0 | 112.7 | Y88 I95 L96 F166 R170 | Y88-E92 WeakPolarHBondContact O-CB 3.09Å; Y88-E92 WeakPolarHBondContact O-CG 3.47Å; Y88-E92 PolarHBondContact O-N 3.22Å; E92-I95 PolarHBondContact O-N 3.41Å; E92-L96 WeakPolarHBondContact O-CB 3.38Å; E92-L96 PolarHBondContact O-N 3.35Å; E92-F166 HydrophobicContact CB-CB 4.01Å; E92-F166 HydrophobicContact CG-CB 3.62Å; E92-R170 IonicContact OE1-CZ 3.46Å; E92-R170 IonicContact OE1-NH1 2.79Å; E92-R170 PolarHBondContact OE1-NH1 2.99Å; E92-R170 WeakPolarHBondContact OE2-CD 3.48Å; E92-R170 IonicContact OE2-CZ 3.17Å; E92-R170 IonicContact OE2-NE 3.65Å; E92-R170 PolarHBondContact OE2-NE 3.35Å; E92-R170 IonicContact OE2-NH1 2.92Å; E92-R170 PolarHBondContact OE2-NH1 3.05Å |
| 93 | L | 83.8 | Confident | 85.2 | Confident | 44 Ų | 44 | 38 Ų | 38 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 172.4 | -71.3 | 171.6 | 0 | 0 | 0 | 112 | R89 I91 I95 L96 M97 Y132 | R89-L93 HydrophobicContact CG-CD1 3.9Å; R89-L93 WeakPolarHBondContact O-CB 3.28Å; R89-L93 VanDerWaalsContact O-CG 3.27Å; R89-L93 WeakPolarHBondContact O-CG 3.34Å; R89-L93 PolarHBondContact O-N 3.24Å; I91-L93 PolarHBondContact O-N 3.45Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 2.85Å; L93-L96 PolarHBondContact O-N 3.46Å; L93-M97 WeakPolarHBondContact O-CG 3.18Å; L93-M97 PolarHBondContact O-N 3.25Å; L93-Y132 HydrophobicContact CB-CD1 3.77Å; L93-Y132 HydrophobicContact CB-CD2 4.14Å; L93-Y132 HydrophobicContact CB-CE1 3.7Å; L93-Y132 HydrophobicContact CB-CE2 4.08Å; L93-Y132 HydrophobicContact CB-CG 4.01Å; L93-Y132 HydrophobicContact CD1-CD1 4.09Å; L93-Y132 HydrophobicContact CD1-CE1 3.38Å; L93-Y132 HydrophobicContact CG-CE1 4.15Å |
| 94 | K | 86.3 | Confident | 84.3 | Confident | 77 Ų | 77 | 37.7 Ų | 37.7 | 34% | 0.335 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 174.6 | -175.5 | -175.6 | 176.9 | -179.3 | 0 | 111.8 | S90 I91 G98 Q129 A133 | S90-K94 WeakPolarHBondContact O-CB 3.44Å; S90-K94 PolarHBondContact O-N 3.25Å; I91-K94 WeakPolarHBondContact O-CB 3.4Å; I91-K94 PolarHBondContact O-N 2.97Å; K94-G98 PolarHBondContact O-N 2.91Å; K94-Q129 HydrophobicContact CG-CG 3.95Å; K94-A133 HydrophobicContact CD-CB 4.33Å |
| 95 | I | 87.8 | Confident | 83.4 | Confident | 64 Ų | 64 | 37.6 Ų | 37.6 | 33% | 0.328 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.1 | -49 | 177.5 | -64.9 | 166.8 | 0 | 0 | 0 | 109.9 | I91 E92 L93 M97 G98 E99 | I91-I95 HydrophobicContact CG2-CD1 3.93Å; I91-I95 WeakPolarHBondContact O-CG1 3.49Å; I91-I95 PolarHBondContact O-N 2.83Å; E92-I95 PolarHBondContact O-N 3.41Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 2.85Å; I95-M97 VanDerWaalsContact C-N 3.28Å; I95-M97 PolarHBondContact O-N 3Å; I95-G98 PolarHBondContact O-N 3.28Å; I95-G98 VanDerWaalsContact O-N 3.11Å; I95-E99 HydrophobicContact CG2-CG 4.44Å; I95-E99 PolarHBondContact O-N 3.05Å |
| 96 | L | 83.6 | Confident | 82.1 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -41.5 | 178.7 | -176.2 | 59.9 | 0 | 0 | 0 | 112 | L5 E92 L93 G98 E99 L100 R170 N173 | L5-L96 HydrophobicContact CD2-CD2 3.6Å; E92-L96 WeakPolarHBondContact O-CB 3.38Å; E92-L96 PolarHBondContact O-N 3.35Å; L93-L96 PolarHBondContact O-N 3.46Å; L96-G98 PolarHBondContact O-N 3.4Å; L96-E99 PolarHBondContact O-N 2.77Å; L96-L100 HydrophobicContact CG-CD1 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.38Å; L96-L100 PolarHBondContact O-N 3.3Å; L96-R170 HydrophobicContact CB-CG 4.19Å; L96-R170 HydrophobicContact CD1-CG 4.12Å; L96-N173 HydrophobicContact CD2-CB 4.08Å |
| 97 | M | 82.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.7 | -68.7 | -43.4 | 96.7 | 0 | 0 | 111.5 | L5 L93 I95 E99 L100 I101 F125 Q129 Y132 | L5-M97 HydrophobicContact CD1-CE 3.22Å; L5-M97 HydrophobicContact CD1-SD 3.63Å; L5-M97 HydrophobicContact CD2-CE 3.77Å; L5-M97 HydrophobicContact CG-CE 4.12Å; L93-M97 WeakPolarHBondContact O-CG 3.18Å; L93-M97 PolarHBondContact O-N 3.25Å; I95-M97 VanDerWaalsContact C-N 3.28Å; I95-M97 PolarHBondContact O-N 3Å; M97-E99 VanDerWaalsContact C-N 3.33Å; M97-E99 PolarHBondContact O-N 3.35Å; M97-L100 HydrophobicContact CE-CD1 4.17Å; M97-L100 PolarHBondContact O-N 3Å; M97-I101 WeakPolarHBondContact O-CG1 3.43Å; M97-I101 PolarHBondContact O-N 3.05Å; M97-F125 HydrophobicContact SD-CD1 3.83Å; M97-F125 HydrophobicContact SD-CE1 4.32Å; M97-Q129 HydrophobicContact CB-CB 4.23Å; M97-Q129 HydrophobicContact CB-CG 4.47Å; M97-Y132 HydrophobicContact CG-CD2 4.02Å; M97-Y132 HydrophobicContact CG-CE2 4.02Å |
| 98 | G | 83.4 | Confident | 79.5 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K94 I95 L96 I101 N102 | K94-G98 PolarHBondContact O-N 2.91Å; I95-G98 PolarHBondContact O-N 3.28Å; I95-G98 VanDerWaalsContact O-N 3.11Å; L96-G98 PolarHBondContact O-N 3.4Å; G98-I101 PolarHBondContact O-N 2.94Å; G98-N102 VanDerWaalsContact O-CG 3.29Å; G98-N102 PolarHBondContact O-N 3.34Å; G98-N102 PolarHBondContact O-ND2 2.96Å |
| 99 | E | 81.5 | Confident | 78.1 | Confident | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.248 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 175 | -69.7 | -173.6 | 178.2 | 0 | 0 | 112.6 | I95 L96 M97 R103 K174 | I95-E99 HydrophobicContact CG2-CG 4.44Å; I95-E99 PolarHBondContact O-N 3.05Å; L96-E99 PolarHBondContact O-N 2.77Å; M97-E99 VanDerWaalsContact C-N 3.33Å; M97-E99 PolarHBondContact O-N 3.35Å; E99-R103 VanDerWaalsContact O-CG 3.28Å; E99-R103 WeakPolarHBondContact O-CG 3.46Å; E99-R103 PolarHBondContact O-N 3.25Å; E99-R103 VanDerWaalsContact O-N 3.12Å; E99-K174 WeakPolarHBondContact OE2-CD 2.85Å |
| 100 | L | 77.3 | Confident | 76.2 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.3 | -69.3 | 175.5 | 0 | 0 | 0 | 112.1 | L96 M97 R103 I104 F125 F177 | L96-L100 HydrophobicContact CG-CD1 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.38Å; L96-L100 PolarHBondContact O-N 3.3Å; M97-L100 HydrophobicContact CE-CD1 4.17Å; M97-L100 PolarHBondContact O-N 3Å; L100-R103 WeakPolarHBondContact O-CB 3.41Å; L100-R103 PolarHBondContact O-N 3.33Å; L100-I104 WeakPolarHBondContact O-CG1 3.05Å; L100-I104 PolarHBondContact O-N 2.63Å; L100-I104 VanDerWaalsContact O-N 3.09Å; L100-F125 HydrophobicContact CB-CE2 4.41Å; L100-F125 HydrophobicContact CD1-CE1 4.21Å; L100-F125 HydrophobicContact CD1-CZ 4.24Å; L100-F177 HydrophobicContact CD2-CD1 4.44Å; L100-F177 HydrophobicContact CD2-CD2 3.84Å; L100-F177 HydrophobicContact CD2-CE2 3.98Å; L100-F177 HydrophobicContact CD2-CG 4.15Å; L100-F177 HydrophobicContact CD2-CZ 4.3Å |
| 101 | I | 78 | Confident | 74.5 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 175.1 | -67.6 | 164.4 | 0 | 0 | 0 | 110.4 | M97 G98 R103 I104 D105 F125 | M97-I101 WeakPolarHBondContact O-CG1 3.43Å; M97-I101 PolarHBondContact O-N 3.05Å; G98-I101 PolarHBondContact O-N 2.94Å; I101-R103 PolarHBondContact O-N 2.96Å; I101-I104 PolarHBondContact O-N 3.23Å; I101-I104 VanDerWaalsContact O-N 3.12Å; I101-D105 PolarHBondContact O-N 3.4Å; I101-F125 HydrophobicContact CD1-CB 3.79Å; I101-F125 HydrophobicContact CG1-CB 3.53Å; I101-F125 HydrophobicContact CG1-CD2 4.4Å; I101-F125 HydrophobicContact CG1-CG 4.37Å |
| 102 | N | 74.4 | Confident | 72.7 | Confident | 89 Ų | 89 | 61 Ų | 61 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.8 | -32 | 179.1 | -72.9 | -22.3 | 0 | 0 | 0 | 112.2 | G98 M106 | G98-N102 VanDerWaalsContact O-CG 3.29Å; G98-N102 PolarHBondContact O-N 3.34Å; G98-N102 PolarHBondContact O-ND2 2.96Å; N102-M106 HydrophobicContact CB-CE 4.45Å; N102-M106 VanDerWaalsContact O-CG 3.31Å; N102-M106 WeakPolarHBondContact O-CG 3.48Å; N102-M106 PolarHBondContact O-N 3.05Å |
| 103 | R | 72.1 | Confident | 70.7 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.9 | -45.6 | 175.9 | -77.5 | 172.9 | 176.4 | -75.2 | -10.1 | 112.2 | E99 L100 I101 D105 M106 E107 K174 H178 | E99-R103 VanDerWaalsContact O-CG 3.28Å; E99-R103 WeakPolarHBondContact O-CG 3.46Å; E99-R103 PolarHBondContact O-N 3.25Å; E99-R103 VanDerWaalsContact O-N 3.12Å; L100-R103 WeakPolarHBondContact O-CB 3.41Å; L100-R103 PolarHBondContact O-N 3.33Å; I101-R103 PolarHBondContact O-N 2.96Å; R103-D105 PolarHBondContact O-N 2.96Å; R103-M106 PolarHBondContact O-N 3.44Å; R103-M106 VanDerWaalsContact O-N 3.16Å; R103-E107 WeakPolarHBondContact O-CB 3.42Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.05Å; R103-K174 VanDerWaalsContact NH2-CE 3.34Å; R103-H178 PolarHBondContact NE-NE2 3.22Å; R103-H178 PolarHBondContact NH1-CD2 3.4Å; R103-H178 PolarHBondContact NH1-CE1 2.96Å; R103-H178 PolarHBondContact NH1-NE2 3.43Å; R103-H178 PolarHBondContact NH2-CE1 3.04Å; R103-H178 PolarHBondContact NH2-NE2 3.44Å |
| 104 | I | 71.5 | Confident | 68.9 | Low | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 174.2 | -65.3 | 168.4 | 0 | 0 | 0 | 110.1 | F12 L100 I101 M106 E107 E108 M121 K122 F125 | F12-I104 HydrophobicContact CE2-CG1 4.21Å; F12-I104 HydrophobicContact CZ-CG1 4.13Å; L100-I104 WeakPolarHBondContact O-CG1 3.05Å; L100-I104 PolarHBondContact O-N 2.63Å; L100-I104 VanDerWaalsContact O-N 3.09Å; I101-I104 PolarHBondContact O-N 3.23Å; I101-I104 VanDerWaalsContact O-N 3.12Å; I104-M106 PolarHBondContact O-N 3.49Å; I104-E107 PolarHBondContact O-N 3.43Å; I104-E108 PolarHBondContact O-N 2.93Å; I104-M121 HydrophobicContact CD1-CB 4.23Å; I104-K122 HydrophobicContact CG2-CD 4.45Å; I104-K122 HydrophobicContact CG2-CG 4.1Å; I104-F125 HydrophobicContact CD1-CD2 3.79Å; I104-F125 HydrophobicContact CD1-CE2 3.61Å |
| 105 | D | 71.7 | Confident | 67.2 | Low | 46 Ų | 46 | 63.5 Ų | 63.5 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.2 | -74.5 | -26.2 | 0 | 0 | 0 | 112.9 | I101 R103 E107 R109 K122 | I101-D105 PolarHBondContact O-N 3.4Å; R103-D105 PolarHBondContact O-N 2.96Å; D105-E107 VanDerWaalsContact C-N 3.34Å; D105-R109 VanDerWaalsContact O-CG 3.28Å; D105-R109 WeakPolarHBondContact O-CG 3.26Å; D105-R109 PolarHBondContact O-N 2.95Å; D105-K122 WeakPolarHBondContact OD1-CE 3.39Å; D105-K122 IonicContact OD1-NZ 2.76Å; D105-K122 PolarHBondContact OD1-NZ 3.47Å |
| 106 | M | 64.6 | Low | 65.5 | Low | 118 Ų | 118 | 63.1 Ų | 63.1 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 176.6 | -71.8 | 178.9 | -151.8 | 0 | 0 | 111.2 | N102 R103 I104 R109 I110 | N102-M106 HydrophobicContact CB-CE 4.45Å; N102-M106 VanDerWaalsContact O-CG 3.31Å; N102-M106 WeakPolarHBondContact O-CG 3.48Å; N102-M106 PolarHBondContact O-N 3.05Å; R103-M106 PolarHBondContact O-N 3.44Å; R103-M106 VanDerWaalsContact O-N 3.16Å; I104-M106 PolarHBondContact O-N 3.49Å; M106-R109 PolarHBondContact O-N 2.8Å; M106-I110 VanDerWaalsContact O-CG1 3.3Å; M106-I110 WeakPolarHBondContact O-CG1 3.33Å; M106-I110 PolarHBondContact O-N 3.36Å; M106-I110 VanDerWaalsContact O-N 3.11Å |
| 107 | E | 60.2 | Low | 64.2 | Low | 23 Ų | 23 | 66.6 Ų | 66.6 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | -177.3 | -74.9 | 171.6 | -168.8 | 0 | 0 | 112.4 | F12 F16 R103 I104 D105 R109 I110 H111 | F12-E107 VanDerWaalsContact CZ-OE2 3.22Å; F12-E107 WeakPolarHBondContact CZ-OE2 3.31Å; F16-E107 HydrophobicContact CE2-CB 4.18Å; F16-E107 HydrophobicContact CZ-CB 3.92Å; R103-E107 WeakPolarHBondContact O-CB 3.42Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.05Å; I104-E107 PolarHBondContact O-N 3.43Å; D105-E107 VanDerWaalsContact C-N 3.34Å; E107-R109 PolarHBondContact O-N 3.07Å; E107-I110 PolarHBondContact O-N 3.33Å; E107-H111 PolarHBondContact O-CD2 2.88Å; E107-H111 PolarHBondContact O-N 3.48Å |
| 108 | E | 65.8 | Low | 63.5 | Low | 49 Ų | 49 | 67.1 Ų | 67.1 | 23% | 0.229 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.3 | -40.5 | 172.1 | -77.2 | 175.9 | -175.4 | 0 | 0 | 112.4 | I104 E112 V115 S118 K122 | I104-E108 PolarHBondContact O-N 2.93Å; E108-E112 PolarHBondContact O-N 3.48Å; E108-V115 HydrophobicContact CG-CB 4.37Å; E108-V115 HydrophobicContact CG-CG2 3.99Å; E108-S118 WeakPolarHBondContact OE1-CB 3.36Å; E108-S118 PolarHBondContact OE1-OG 2.84Å; E108-K122 WeakPolarHBondContact OE1-CE 3.28Å; E108-K122 IonicContact OE1-NZ 3.8Å; E108-K122 PolarHBondContact OE1-NZ 3.16Å; E108-K122 IonicContact OE2-NZ 3.46Å; E108-K122 PolarHBondContact OE2-NZ 3.49Å |
| 109 | R | 60.9 | Low | 62.9 | Low | 204 Ų | 204 | 72.3 Ų | 72.3 | 77% | 0.77 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.3 | -33.6 | 179.3 | -70 | 174.1 | -171.1 | -166.8 | 4.3 | 112.7 | D105 M106 E107 | D105-R109 VanDerWaalsContact O-CG 3.28Å; D105-R109 WeakPolarHBondContact O-CG 3.26Å; D105-R109 PolarHBondContact O-N 2.95Å; M106-R109 PolarHBondContact O-N 2.8Å; E107-R109 PolarHBondContact O-N 3.07Å |
| 110 | I | 48.9 | Very low | 62.3 | Low | 126 Ų | 126 | 74.4 Ų | 74.4 | 65% | 0.646 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -77 | -39.5 | -177.6 | -72 | 166.6 | 0 | 0 | 0 | 111.1 | M106 E107 | M106-I110 VanDerWaalsContact O-CG1 3.3Å; M106-I110 WeakPolarHBondContact O-CG1 3.33Å; M106-I110 PolarHBondContact O-N 3.36Å; M106-I110 VanDerWaalsContact O-N 3.11Å; E107-I110 PolarHBondContact O-N 3.33Å |
| 111 | H | 52.6 | Low | 61.7 | Low | 62 Ų | 62 | 75.9 Ų | 75.9 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -93.4 | -10 | -169 | -71.2 | -68.9 | 0 | 0 | 0 | 114.5 | F16 E107 T113 | F16-H111 AromaticContact CE1-CD2 3.6Å; F16-H111 AromaticContact CE1-NE2 3.79Å; F16-H111 AromaticContact CZ-CD2 3.46Å; F16-H111 VanDerWaalsContact CZ-CD2 3.46Å; F16-H111 WeakPolarHBondContact CZ-CD2 3.41Å; E107-H111 PolarHBondContact O-CD2 2.88Å; E107-H111 PolarHBondContact O-N 3.48Å; H111-T113 HydrophobicContact CB-CG2 4.03Å; H111-T113 WeakPolarHBondContact CB-OG1 3.36Å; H111-T113 WeakPolarHBondContact O-CG2 3.37Å; H111-T113 PolarHBondContact O-N 3.14Å |
| 112 | E | 50.8 | Low | 61.6 | Low | 188 Ų | 188 | 76.6 Ų | 76.6 | 88% | 0.879 | 38% | 0.378 | S | S | * | . | trans | 47.6 | 8.6 | -168.5 | -70.6 | -171.2 | 177.1 | 0 | 0 | 113.9 | E108 | E108-E112 PolarHBondContact O-N 3.48Š| ||
| 113 | T | 46.4 | Very low | 61.8 | Low | 28 Ų | 28 | 78.6 Ų | 78.6 | 17% | 0.172 | 38% | 0.383 | C | S | . | . | trans | -78.6 | 131 | -177.2 | 44.9 | 0 | 0 | 0 | 0 | 107 | L19 H111 V115 | L19-T113 HydrophobicContact CB-CG2 3.77Å; L19-T113 WeakPolarHBondContact O-CG2 3.44Å; H111-T113 HydrophobicContact CB-CG2 4.03Å; H111-T113 WeakPolarHBondContact CB-OG1 3.36Å; H111-T113 WeakPolarHBondContact O-CG2 3.37Å; H111-T113 PolarHBondContact O-N 3.14Å; T113-V115 PolarHBondContact O-N 2.65Å | ||
| 114 | N | 45.9 | Very low | 61.9 | Low | 153 Ų | 153 | 78.3 Ų | 78.3 | 82% | 0.818 | 39% | 0.39 | S | S | * | . | trans | -56.8 | 87.4 | 154.7 | -80.2 | -31.4 | 0 | 0 | 0 | 107.2 | S116 | N114-S116 PolarHBondContact O-N 3.16Š| ||
| 115 | V | 49.9 | Very low | 62.3 | Low | 8 Ų | 8 | 79 Ų | 79 | 5% | 0.048 | 39% | 0.393 | C | S | . | . | trans | -67.4 | 83.2 | 168.2 | -175.8 | 0 | 0 | 0 | 0 | 104.5 | W15 F16 E108 T113 N117 S118 | W15-V115 HydrophobicContact CZ3-CG1 4.08Å; F16-V115 HydrophobicContact CD2-CG1 4.02Å; F16-V115 HydrophobicContact CD2-CG2 4.21Å; F16-V115 HydrophobicContact CE2-CG1 4.12Å; F16-V115 HydrophobicContact CE2-CG2 3.55Å; F16-V115 HydrophobicContact CZ-CG2 4.36Å; E108-V115 HydrophobicContact CG-CB 4.37Å; E108-V115 HydrophobicContact CG-CG2 3.99Å; T113-V115 PolarHBondContact O-N 2.65Å; V115-N117 PolarHBondContact O-N 2.98Å; V115-N117 VanDerWaalsContact O-N 3.14Å; V115-S118 WeakPolarHBondContact O-CB 3.43Å; V115-S118 PolarHBondContact O-N 3.35Å; V115-S118 PolarHBondContact O-OG 3.21Å | ||
| 116 | S | 52.5 | Low | 62.8 | Low | 57 Ų | 57 | 79.4 Ų | 79.4 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 129.3 | -177.8 | 104.7 | 0 | 0 | 0 | 0 | 107.9 | W15 N114 | W15-S116 VanDerWaalsContact CH2-N 3.28Å; W15-S116 WeakPolarHBondContact CH2-O 3.37Å; W15-S116 WeakPolarHBondContact CH2-OG 3.45Å; W15-S116 WeakPolarHBondContact CZ2-OG 2.84Å; W15-S116 WeakPolarHBondContact CZ3-O 3.45Å; N114-S116 PolarHBondContact O-N 3.16Å |
| 117 | N | 57.8 | Low | 63.6 | Low | 78 Ų | 78 | 78.6 Ų | 78.6 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 5.2 | -175.6 | -39.8 | -50.1 | 0 | 0 | 0 | 117.2 | V115 D119 I120 M121 | V115-N117 PolarHBondContact O-N 2.98Å; V115-N117 VanDerWaalsContact O-N 3.14Å; N117-D119 PolarHBondContact O-N 2.97Å; N117-I120 HydrophobicContact CB-CB 4.17Å; N117-I120 HydrophobicContact CB-CD1 3.98Å; N117-I120 HydrophobicContact CB-CG1 4.39Å; N117-I120 WeakPolarHBondContact O-CA 3.36Å; N117-I120 WeakPolarHBondContact O-CB 3.37Å; N117-I120 PolarHBondContact O-N 3.19Å; N117-I120 WeakPolarHBondContact OD1-CD1 3.33Å; N117-M121 PolarHBondContact O-N 2.95Å |
| 118 | S | 66.8 | Low | 64.6 | Low | 11 Ų | 11 | 81 Ų | 81 | 8% | 0.077 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 170.7 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | E108 V115 I120 M121 K122 | E108-S118 WeakPolarHBondContact OE1-CB 3.36Å; E108-S118 PolarHBondContact OE1-OG 2.84Å; V115-S118 WeakPolarHBondContact O-CB 3.43Å; V115-S118 PolarHBondContact O-N 3.35Å; V115-S118 PolarHBondContact O-OG 3.21Å; S118-I120 VanDerWaalsContact C-N 3.28Å; S118-I120 PolarHBondContact O-N 3.04Å; S118-M121 PolarHBondContact O-N 2.85Å; S118-M121 VanDerWaalsContact O-N 3.09Å; S118-K122 WeakPolarHBondContact O-CB 3.46Å; S118-K122 WeakPolarHBondContact O-CG 3.23Å; S118-K122 PolarHBondContact O-N 3.2Å |
| 119 | D | 72.3 | Confident | 65.5 | Low | 123 Ų | 123 | 81.4 Ų | 81.4 | 66% | 0.658 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.5 | -40.8 | 171.6 | -74.2 | -24.9 | 0 | 0 | 0 | 112.4 | N117 K123 | N117-D119 PolarHBondContact O-N 2.97Å; D119-K123 WeakPolarHBondContact O-CB 3.37Å; D119-K123 PolarHBondContact O-N 3Å |
| 120 | I | 67.1 | Low | 66.7 | Low | 97 Ų | 97 | 74.3 Ų | 74.3 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 176.7 | -64.5 | 172.6 | 0 | 0 | 0 | 109.9 | N117 S118 K123 C124 | N117-I120 HydrophobicContact CB-CB 4.17Å; N117-I120 HydrophobicContact CB-CD1 3.98Å; N117-I120 HydrophobicContact CB-CG1 4.39Å; N117-I120 WeakPolarHBondContact O-CA 3.36Å; N117-I120 WeakPolarHBondContact O-CB 3.37Å; N117-I120 PolarHBondContact O-N 3.19Å; N117-I120 WeakPolarHBondContact OD1-CD1 3.33Å; S118-I120 VanDerWaalsContact C-N 3.28Å; S118-I120 PolarHBondContact O-N 3.04Å; I120-K123 WeakPolarHBondContact O-CB 3.39Å; I120-K123 PolarHBondContact O-N 3.28Å; I120-C124 PolarHBondContact O-N 3.38Å; I120-C124 PolarHBondContact O-SG 3.28Å |
| 121 | M | 65.7 | Low | 68.5 | Low | 41 Ų | 41 | 71.4 Ų | 71.4 | 20% | 0.202 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.6 | -45.4 | 179.8 | -67.7 | -178.8 | -174.5 | 0 | 0 | 112.5 | F12 I104 N117 S118 K123 C124 F125 | F12-M121 HydrophobicContact CB-CE 4.34Å; F12-M121 HydrophobicContact CB-SD 4.32Å; F12-M121 HydrophobicContact CD2-CE 3.92Å; F12-M121 HydrophobicContact CD2-SD 3.35Å; F12-M121 WeakPolarHBondContact CD2-SD 3.41Å; F12-M121 HydrophobicContact CE2-SD 4.01Å; F12-M121 HydrophobicContact CG-SD 4.26Å; I104-M121 HydrophobicContact CD1-CB 4.23Å; N117-M121 PolarHBondContact O-N 2.95Å; S118-M121 PolarHBondContact O-N 2.85Å; S118-M121 VanDerWaalsContact O-N 3.09Å; M121-K123 PolarHBondContact O-N 3.49Å; M121-C124 CarbonylContact O-C 3.6Å; M121-C124 WeakPolarHBondContact O-CB 3.47Å; M121-C124 PolarHBondContact O-N 2.84Å; M121-C124 VanDerWaalsContact O-N 3.11Å; M121-F125 HydrophobicContact CB-CE2 4.49Å; M121-F125 WeakPolarHBondContact O-CD2 3.44Å; M121-F125 PolarHBondContact O-N 3.37Å |
| 122 | K | 75.9 | Confident | 70.2 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 173 | -71.2 | -179.8 | -165.1 | -179.1 | 0 | 110.1 | I104 D105 E108 S118 F125 S126 | I104-K122 HydrophobicContact CG2-CD 4.45Å; I104-K122 HydrophobicContact CG2-CG 4.1Å; D105-K122 WeakPolarHBondContact OD1-CE 3.39Å; D105-K122 IonicContact OD1-NZ 2.76Å; D105-K122 PolarHBondContact OD1-NZ 3.47Å; E108-K122 WeakPolarHBondContact OE1-CE 3.28Å; E108-K122 IonicContact OE1-NZ 3.8Å; E108-K122 PolarHBondContact OE1-NZ 3.16Å; E108-K122 IonicContact OE2-NZ 3.46Å; E108-K122 PolarHBondContact OE2-NZ 3.49Å; S118-K122 WeakPolarHBondContact O-CB 3.46Å; S118-K122 WeakPolarHBondContact O-CG 3.23Å; S118-K122 PolarHBondContact O-N 3.2Å; K122-F125 PolarHBondContact O-N 3.09Å; K122-S126 WeakPolarHBondContact O-CB 3.31Å; K122-S126 PolarHBondContact O-N 3.24Å; K122-S126 PolarHBondContact O-OG 2.98Å |
| 123 | K | 78.1 | Confident | 72 | Confident | 131 Ų | 131 | 61.3 Ų | 61.3 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.5 | -49.7 | 172.9 | -177.6 | 176.5 | 175.9 | -179.3 | 0 | 111.4 | D119 I120 M121 F125 S126 E127 | D119-K123 WeakPolarHBondContact O-CB 3.37Å; D119-K123 PolarHBondContact O-N 3Å; I120-K123 WeakPolarHBondContact O-CB 3.39Å; I120-K123 PolarHBondContact O-N 3.28Å; M121-K123 PolarHBondContact O-N 3.49Å; K123-F125 PolarHBondContact O-N 3.13Å; K123-S126 PolarHBondContact O-N 3.36Å; K123-E127 WeakPolarHBondContact CE-OE1 2.99Å; K123-E127 HydrophobicContact CG-CG 4.47Å; K123-E127 WeakPolarHBondContact CG-OE1 3.43Å; K123-E127 WeakPolarHBondContact O-CB 3.01Å; K123-E127 VanDerWaalsContact O-CG 3.29Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 3.35Å |
| 124 | C | 75 | Confident | 74.2 | Confident | 62 Ų | 62 | 67 Ų | 67 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 176.6 | -71.4 | 0 | 0 | 0 | 0 | 112.6 | I120 M121 S126 E127 E128 | I120-C124 PolarHBondContact O-N 3.38Å; I120-C124 PolarHBondContact O-SG 3.28Å; M121-C124 CarbonylContact O-C 3.6Å; M121-C124 WeakPolarHBondContact O-CB 3.47Å; M121-C124 PolarHBondContact O-N 2.84Å; M121-C124 VanDerWaalsContact O-N 3.11Å; C124-S126 VanDerWaalsContact C-N 3.34Å; C124-S126 PolarHBondContact O-N 2.88Å; C124-E127 PolarHBondContact O-N 3.36Å; C124-E128 WeakPolarHBondContact O-CG 3.4Å; C124-E128 PolarHBondContact O-N 2.97Å |
| 125 | F | 78.6 | Confident | 76.2 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -35 | 178.3 | -70.1 | -45 | 0 | 0 | 0 | 112.3 | M97 L100 I101 I104 M121 K122 K123 E128 Q129 | M97-F125 HydrophobicContact SD-CD1 3.83Å; M97-F125 HydrophobicContact SD-CE1 4.32Å; L100-F125 HydrophobicContact CB-CE2 4.41Å; L100-F125 HydrophobicContact CD1-CE1 4.21Å; L100-F125 HydrophobicContact CD1-CZ 4.24Å; I101-F125 HydrophobicContact CD1-CB 3.79Å; I101-F125 HydrophobicContact CG1-CB 3.53Å; I101-F125 HydrophobicContact CG1-CD2 4.4Å; I101-F125 HydrophobicContact CG1-CG 4.37Å; I104-F125 HydrophobicContact CD1-CD2 3.79Å; I104-F125 HydrophobicContact CD1-CE2 3.61Å; M121-F125 HydrophobicContact CB-CE2 4.49Å; M121-F125 WeakPolarHBondContact O-CD2 3.44Å; M121-F125 PolarHBondContact O-N 3.37Å; K122-F125 PolarHBondContact O-N 3.09Å; K123-F125 PolarHBondContact O-N 3.13Å; F125-E128 PolarHBondContact O-N 3.18Å; F125-Q129 VanDerWaalsContact O-CB 3.24Å; F125-Q129 WeakPolarHBondContact O-CB 3.24Å; F125-Q129 PolarHBondContact O-N 3.27Å |
| 126 | S | 83.4 | Confident | 78.1 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | K122 K123 C124 Q129 S130 | K122-S126 WeakPolarHBondContact O-CB 3.31Å; K122-S126 PolarHBondContact O-N 3.24Å; K122-S126 PolarHBondContact O-OG 2.98Å; K123-S126 PolarHBondContact O-N 3.36Å; C124-S126 VanDerWaalsContact C-N 3.34Å; C124-S126 PolarHBondContact O-N 2.88Å; S126-Q129 PolarHBondContact O-N 3Å; S126-S130 PolarHBondContact O-N 3.49Å |
| 127 | E | 82 | Confident | 79.9 | Confident | 102 Ų | 102 | 63.8 Ų | 63.8 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 172.9 | -75.1 | 172.2 | -177 | 0 | 0 | 110.6 | K123 C124 Q129 S130 V131 | K123-E127 WeakPolarHBondContact CE-OE1 2.99Å; K123-E127 HydrophobicContact CG-CG 4.47Å; K123-E127 WeakPolarHBondContact CG-OE1 3.43Å; K123-E127 WeakPolarHBondContact O-CB 3.01Å; K123-E127 VanDerWaalsContact O-CG 3.29Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 3.35Å; C124-E127 PolarHBondContact O-N 3.36Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 3.3Å; E127-S130 WeakPolarHBondContact O-CB 3.29Å; E127-S130 PolarHBondContact O-N 2.8Å; E127-S130 VanDerWaalsContact O-N 3.16Å; E127-S130 PolarHBondContact O-OG 3.34Å; E127-V131 PolarHBondContact O-N 3.1Å; E127-V131 VanDerWaalsContact O-N 3.14Å |
| 128 | E | 80.6 | Confident | 81.4 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 174.7 | -73.8 | -69.8 | 146.6 | 0 | 0 | 112 | C124 F125 S130 V131 Y132 | C124-E128 WeakPolarHBondContact O-CG 3.4Å; C124-E128 PolarHBondContact O-N 2.97Å; F125-E128 PolarHBondContact O-N 3.18Å; E128-S130 VanDerWaalsContact C-N 3.26Å; E128-S130 PolarHBondContact O-N 2.98Å; E128-V131 WeakPolarHBondContact O-CB 3.45Å; E128-V131 PolarHBondContact O-N 3.48Å; E128-Y132 HydrophobicContact CB-CE2 4.17Å; E128-Y132 WeakPolarHBondContact O-CD2 3.2Å; E128-Y132 PolarHBondContact O-N 3.47Å |
| 129 | Q | 84.1 | Confident | 82.4 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 27% | 0.271 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 176.3 | -166.8 | -178.1 | 29 | 0 | 0 | 111.6 | K94 M97 F125 S126 E127 V131 Y132 A133 | K94-Q129 HydrophobicContact CG-CG 3.95Å; M97-Q129 HydrophobicContact CB-CB 4.23Å; M97-Q129 HydrophobicContact CB-CG 4.47Å; F125-Q129 VanDerWaalsContact O-CB 3.24Å; F125-Q129 WeakPolarHBondContact O-CB 3.24Å; F125-Q129 PolarHBondContact O-N 3.27Å; S126-Q129 PolarHBondContact O-N 3Å; E127-Q129 VanDerWaalsContact C-N 3.34Å; E127-Q129 PolarHBondContact O-N 3.3Å; Q129-V131 VanDerWaalsContact C-N 3.34Å; Q129-Y132 PolarHBondContact O-N 3.3Å; Q129-A133 WeakPolarHBondContact O-CB 3.25Å; Q129-A133 PolarHBondContact O-N 3.11Å |
| 130 | S | 87.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 174.5 | 84.7 | 0 | 0 | 0 | 0 | 112.4 | S126 E127 E128 A133 K134 | S126-S130 PolarHBondContact O-N 3.49Å; E127-S130 WeakPolarHBondContact O-CB 3.29Å; E127-S130 PolarHBondContact O-N 2.8Å; E127-S130 VanDerWaalsContact O-N 3.16Å; E127-S130 PolarHBondContact O-OG 3.34Å; E128-S130 VanDerWaalsContact C-N 3.26Å; E128-S130 PolarHBondContact O-N 2.98Å; S130-A133 PolarHBondContact O-N 3.23Å; S130-K134 WeakPolarHBondContact O-CG 3.49Å; S130-K134 PolarHBondContact O-N 3.26Å |
| 131 | V | 86.4 | Confident | 83.8 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 173.8 | 175 | 0 | 0 | 0 | 0 | 110 | E127 E128 Q129 A133 K134 L135 | E127-V131 PolarHBondContact O-N 3.1Å; E127-V131 VanDerWaalsContact O-N 3.14Å; E128-V131 WeakPolarHBondContact O-CB 3.45Å; E128-V131 PolarHBondContact O-N 3.48Å; Q129-V131 VanDerWaalsContact C-N 3.34Å; V131-A133 VanDerWaalsContact C-N 3.32Å; V131-A133 PolarHBondContact O-N 3.02Å; V131-K134 PolarHBondContact O-N 3.25Å; V131-L135 HydrophobicContact CG1-CD1 4.31Å; V131-L135 WeakPolarHBondContact O-CG 3.04Å; V131-L135 PolarHBondContact O-N 2.79Å |
| 132 | Y | 87.2 | Confident | 84.8 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65 | -34.8 | 177.9 | -65.9 | -60.8 | 0 | 0 | 0 | 112.5 | M1 L93 M97 E128 Q129 K134 L135 V136 | M1-Y132 HydrophobicContact CE-CE1 3.79Å; M1-Y132 WeakPolarHBondContact CE-OH 3.33Å; L93-Y132 HydrophobicContact CB-CD1 3.77Å; L93-Y132 HydrophobicContact CB-CD2 4.14Å; L93-Y132 HydrophobicContact CB-CE1 3.7Å; L93-Y132 HydrophobicContact CB-CE2 4.08Å; L93-Y132 HydrophobicContact CB-CG 4.01Å; L93-Y132 HydrophobicContact CD1-CD1 4.09Å; L93-Y132 HydrophobicContact CD1-CE1 3.38Å; L93-Y132 HydrophobicContact CG-CE1 4.15Å; M97-Y132 HydrophobicContact CG-CD2 4.02Å; M97-Y132 HydrophobicContact CG-CE2 4.02Å; E128-Y132 HydrophobicContact CB-CE2 4.17Å; E128-Y132 WeakPolarHBondContact O-CD2 3.2Å; E128-Y132 PolarHBondContact O-N 3.47Å; Q129-Y132 PolarHBondContact O-N 3.3Å; Y132-K134 PolarHBondContact O-N 2.97Å; Y132-L135 HydrophobicContact CD1-CD1 4.11Å; Y132-L135 PolarHBondContact O-N 3.45Å; Y132-V136 VanDerWaalsContact O-CG2 3.28Å; Y132-V136 WeakPolarHBondContact O-CG2 3.5Å; Y132-V136 PolarHBondContact O-N 2.82Å |
| 133 | A | 89.9 | Confident | 85.2 | Confident | 24 Ų | 24 | 81.4 Ų | 81.4 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K94 Q129 S130 V131 L135 V136 D137 | K94-A133 HydrophobicContact CD-CB 4.33Å; Q129-A133 WeakPolarHBondContact O-CB 3.25Å; Q129-A133 PolarHBondContact O-N 3.11Å; S130-A133 PolarHBondContact O-N 3.23Å; V131-A133 VanDerWaalsContact C-N 3.32Å; V131-A133 PolarHBondContact O-N 3.02Å; A133-L135 PolarHBondContact O-N 3.45Å; A133-V136 WeakPolarHBondContact O-CB 3.12Å; A133-V136 PolarHBondContact O-N 3.24Å; A133-D137 PolarHBondContact O-N 3.14Å; A133-D137 VanDerWaalsContact O-N 3.1Å |
| 134 | K | 91.1 | Very high | 85.5 | Confident | 147 Ų | 147 | 76.5 Ų | 76.5 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 175.3 | -68.5 | 171.9 | -176.3 | 175.7 | 0 | 112.1 | S130 V131 Y132 V136 D137 E138 | S130-K134 WeakPolarHBondContact O-CG 3.49Å; S130-K134 PolarHBondContact O-N 3.26Å; V131-K134 PolarHBondContact O-N 3.25Å; Y132-K134 PolarHBondContact O-N 2.97Å; K134-V136 VanDerWaalsContact C-N 3.35Å; K134-V136 PolarHBondContact O-N 2.84Å; K134-D137 PolarHBondContact O-N 2.96Å; K134-E138 WeakPolarHBondContact O-CB 3.41Å; K134-E138 PolarHBondContact O-N 2.83Å |
| 135 | L | 89 | Confident | 85.9 | Confident | 44 Ų | 44 | 84.1 Ų | 84.1 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 176.4 | -70.8 | 174.2 | 0 | 0 | 0 | 112.1 | V131 Y132 A133 D137 E138 Y139 | V131-L135 HydrophobicContact CG1-CD1 4.31Å; V131-L135 WeakPolarHBondContact O-CG 3.04Å; V131-L135 PolarHBondContact O-N 2.79Å; Y132-L135 HydrophobicContact CD1-CD1 4.11Å; Y132-L135 PolarHBondContact O-N 3.45Å; A133-L135 PolarHBondContact O-N 3.45Å; L135-D137 VanDerWaalsContact C-N 3.33Å; L135-E138 PolarHBondContact O-N 3.38Å; L135-Y139 HydrophobicContact CB-CD2 4.21Å; L135-Y139 HydrophobicContact CB-CE2 4.07Å; L135-Y139 HydrophobicContact CD2-CE2 3.96Å; L135-Y139 WeakPolarHBondContact O-CB 3.43Å; L135-Y139 WeakPolarHBondContact O-CD2 3.43Å; L135-Y139 PolarHBondContact O-N 3.49Å |
| 136 | V | 89.8 | Confident | 86.1 | Confident | 17 Ų | 17 | 86.7 Ų | 86.7 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | L87 S90 I91 Y132 A133 K134 E138 Y139 R140 | L87-V136 HydrophobicContact CD1-CG1 4.38Å; S90-V136 WeakPolarHBondContact OG-CG2 3.42Å; I91-V136 HydrophobicContact CB-CG2 4.4Å; I91-V136 HydrophobicContact CG1-CG1 4Å; I91-V136 HydrophobicContact CG1-CG2 3.74Å; Y132-V136 VanDerWaalsContact O-CG2 3.28Å; Y132-V136 WeakPolarHBondContact O-CG2 3.5Å; Y132-V136 PolarHBondContact O-N 2.82Å; A133-V136 WeakPolarHBondContact O-CB 3.12Å; A133-V136 PolarHBondContact O-N 3.24Å; K134-V136 VanDerWaalsContact C-N 3.35Å; K134-V136 PolarHBondContact O-N 2.84Å; V136-E138 PolarHBondContact O-N 2.85Å; V136-Y139 PolarHBondContact O-N 3.1Å; V136-R140 WeakPolarHBondContact O-CB 3.42Å; V136-R140 PolarHBondContact O-N 3.2Å |
| 137 | D | 90.3 | Very high | 86 | Confident | 90 Ų | 90 | 84.9 Ų | 84.9 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 179.7 | -66.6 | -26.6 | 0 | 0 | 0 | 112.1 | A133 K134 L135 N141 | A133-D137 PolarHBondContact O-N 3.14Å; A133-D137 VanDerWaalsContact O-N 3.1Å; K134-D137 PolarHBondContact O-N 2.96Å; L135-D137 VanDerWaalsContact C-N 3.33Å; D137-N141 PolarHBondContact O-N 3.38Å; D137-N141 PolarHBondContact O-ND2 3.37Å |
| 138 | E | 90.1 | Very high | 85.4 | Confident | 118 Ų | 118 | 84.6 Ų | 84.6 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.8 | -54.9 | 175.1 | -175.7 | -175.5 | 165 | 0 | 0 | 111.4 | K134 L135 V136 R140 N141 K142 | K134-E138 WeakPolarHBondContact O-CB 3.41Å; K134-E138 PolarHBondContact O-N 2.83Å; L135-E138 PolarHBondContact O-N 3.38Å; V136-E138 PolarHBondContact O-N 2.85Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.18Å; E138-N141 PolarHBondContact O-N 3.08Å; E138-K142 PolarHBondContact O-N 3.37Å |
| 139 | Y | 87.8 | Confident | 84.8 | Confident | 29 Ų | 29 | 82 Ų | 82 | 11% | 0.114 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.8 | -26.9 | -176.3 | -67.9 | -58.5 | 0 | 0 | 0 | 113.2 | E86 L135 V136 N141 K142 | E86-Y139 HydrophobicContact CB-CD1 3.74Å; E86-Y139 HydrophobicContact CB-CD2 4.19Å; E86-Y139 HydrophobicContact CB-CE1 3.54Å; E86-Y139 HydrophobicContact CB-CE2 4.04Å; E86-Y139 HydrophobicContact CB-CG 4.09Å; E86-Y139 HydrophobicContact CG-CE1 4.11Å; E86-Y139 WeakPolarHBondContact OE2-CE1 3.47Å; L135-Y139 HydrophobicContact CB-CD2 4.21Å; L135-Y139 HydrophobicContact CB-CE2 4.07Å; L135-Y139 HydrophobicContact CD2-CE2 3.96Å; L135-Y139 WeakPolarHBondContact O-CB 3.43Å; L135-Y139 WeakPolarHBondContact O-CD2 3.43Å; L135-Y139 PolarHBondContact O-N 3.49Å; V136-Y139 PolarHBondContact O-N 3.1Å; Y139-N141 VanDerWaalsContact C-N 3.29Å; Y139-N141 PolarHBondContact O-N 3.36Å; Y139-K142 HydrophobicContact CD1-CD 3.88Å; Y139-K142 HydrophobicContact CE1-CD 4.34Å; Y139-K142 WeakPolarHBondContact O-CB 3.36Å; Y139-K142 PolarHBondContact O-N 2.87Å |
| 140 | R | 85.6 | Confident | 83.9 | Confident | 184 Ų | 184 | 87 Ų | 87 | 69% | 0.694 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.8 | -34.5 | 175 | -170.8 | 179.3 | -152.7 | 178.8 | 5.8 | 111.6 | L87 V136 E138 | L87-R140 HydrophobicContact CD1-CB 4.21Å; V136-R140 WeakPolarHBondContact O-CB 3.42Å; V136-R140 PolarHBondContact O-N 3.2Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.18Å |
| 141 | N | 82.9 | Confident | 83.3 | Confident | 132 Ų | 132 | 86.7 Ų | 86.7 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -88.5 | -12.1 | 178.6 | -66.6 | -46.8 | 0 | 0 | 0 | 113 | D137 E138 Y139 K143 | D137-N141 PolarHBondContact O-N 3.38Å; D137-N141 PolarHBondContact O-ND2 3.37Å; E138-N141 PolarHBondContact O-N 3.08Å; Y139-N141 VanDerWaalsContact C-N 3.29Å; Y139-N141 PolarHBondContact O-N 3.36Å; N141-K143 PolarHBondContact O-N 3.43Å |
| 142 | K | 86 | Confident | 82.9 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -66.5 | 122 | 175.4 | -169.6 | 174.8 | 177.6 | 177 | 0 | 109.7 | E86 E138 Y139 C144 | E86-K142 IonicContact OE2-NZ 3.05Å; E86-K142 PolarHBondContact OE2-NZ 3.25Å; E138-K142 PolarHBondContact O-N 3.37Å; Y139-K142 HydrophobicContact CD1-CD 3.88Å; Y139-K142 HydrophobicContact CE1-CD 4.34Å; Y139-K142 WeakPolarHBondContact O-CB 3.36Å; Y139-K142 PolarHBondContact O-N 2.87Å; K142-C144 PolarHBondContact O-N 2.96Å |
| 143 | K | 83.4 | Confident | 82.7 | Confident | 197 Ų | 197 | 94.1 Ų | 94.1 | 86% | 0.857 | 45% | 0.452 | S | S | * | . | trans | -73.9 | 93.5 | 174.3 | -68.2 | -175 | 179.1 | -178.1 | 0 | 109.8 | N141 R145 | N141-K143 PolarHBondContact O-N 3.43Å; K143-R145 PolarHBondContact O-N 3.19Å | ||
| 144 | C | 85 | Confident | 82.3 | Confident | 28 Ų | 28 | 94 Ų | 94 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | trans | -73.5 | 110.2 | 168.9 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | Y80 C83 R84 K142 L146 | Y80-C144 HydrophobicContact CD2-CB 3.87Å; Y80-C144 HydrophobicContact CE2-CB 4.11Å; C83-C144 HydrophobicContact CB-CB 3.73Å; C83-C144 WeakPolarHBondContact CB-SG 2.88Å; C83-C144 WeakPolarHBondContact SG-CA 3.29Å; C83-C144 WeakPolarHBondContact SG-CB 3.37Å; C83-C144 CovalentContact SG-SG 2.04Å; C83-C144 PolarHBondContact SG-SG 2.93Å; R84-C144 HydrophobicContact CG-CB 4.4Å; K142-C144 PolarHBondContact O-N 2.96Å; C144-L146 PolarHBondContact O-N 3.45Å | ||
| 145 | R | 84.4 | Confident | 81.8 | Confident | 222 Ų | 222 | 87.6 Ų | 87.6 | 84% | 0.838 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 116.2 | 178.8 | -69 | -176.4 | -177.9 | 177.1 | 0.7 | 109.2 | K143 | K143-R145 PolarHBondContact O-N 3.19Š|
| 146 | L | 82.8 | Confident | 81.7 | Confident | 75 Ų | 75 | 91.1 Ų | 91.1 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 131.4 | 169.7 | -175.2 | 75.5 | 0 | 0 | 0 | 108.3 | I77 Y80 C144 I155 | I77-L146 HydrophobicContact CD1-CD1 4.42Å; Y80-L146 HydrophobicContact CD1-CD1 3.87Å; Y80-L146 HydrophobicContact CD2-CB 4.04Å; Y80-L146 HydrophobicContact CD2-CD1 3.95Å; Y80-L146 HydrophobicContact CE1-CD1 3.73Å; Y80-L146 HydrophobicContact CE2-CB 4.06Å; Y80-L146 HydrophobicContact CE2-CD1 3.83Å; Y80-L146 HydrophobicContact CG-CD1 3.96Å; C144-L146 PolarHBondContact O-N 3.45Å; L146-I155 HydrophobicContact CD1-CD1 3.69Å; L146-I155 HydrophobicContact CD1-CG1 3.92Å; L146-I155 HydrophobicContact CD1-CG2 3.85Å; L146-I155 HydrophobicContact CD2-CD1 3.41Å; L146-I155 VanDerWaalsContact CD2-CD1 3.41Å; L146-I155 HydrophobicContact CD2-CG1 4.47Å; L146-I155 HydrophobicContact CG-CD1 3.99Å |
| 147 | P | 79.9 | Confident | 81.7 | Confident | 15 Ų | 15 | 92 Ų | 92 | 10% | 0.097 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 158.9 | 168.8 | 26.7 | -34.3 | 0 | 0 | 0 | 110.5 | L70 Q75 I77 S149 | L70-P147 HydrophobicContact CD1-CB 3.87Å; L70-P147 HydrophobicContact CD1-CG 3.53Å; L70-P147 HydrophobicContact CD2-CB 4.1Å; L70-P147 HydrophobicContact CD2-CG 4.43Å; Q75-P147 HydrophobicContact CB-CB 4.23Å; I77-P147 HydrophobicContact CB-CG 4.28Å; I77-P147 HydrophobicContact CG1-CG 4.27Å; P147-S149 VanDerWaalsContact C-N 3.3Å; P147-S149 PolarHBondContact O-N 3.37Å |
| 148 | V | 71.2 | Confident | 81.6 | Confident | 97 Ų | 97 | 87.7 Ų | 87.7 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | trans | -72.3 | 90.4 | 179.9 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | L70 | L70-V148 WeakPolarHBondContact CD2-O 3.33Š| ||
| 149 | S | 68 | Low | 81.6 | Confident | 19 Ų | 19 | 84 Ų | 84 | 13% | 0.133 | 40% | 0.401 | C | S | . | . | trans | -107.3 | 134.4 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | P147 N151 | P147-S149 VanDerWaalsContact C-N 3.3Å; P147-S149 PolarHBondContact O-N 3.37Å; S149-N151 PolarHBondContact O-N 2.93Å; S149-N151 PolarHBondContact OG-N 3.11Å | ||
| 150 | N | 63.9 | Low | 81.8 | Confident | 161 Ų | 161 | 88.7 Ų | 88.7 | 86% | 0.861 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -78.8 | -3.5 | 173.8 | -68.7 | -31.6 | 0 | 0 | 0 | 112.8 | ||
| 151 | N | 75.2 | Confident | 82.1 | Confident | 49 Ų | 49 | 80 Ų | 80 | 26% | 0.262 | 39% | 0.387 | S | S | . | . | trans | -109.2 | 83.3 | -177.2 | -161.3 | -14.2 | 0 | 0 | 0 | 112.4 | S149 H153 D154 I155 | S149-N151 PolarHBondContact O-N 2.93Å; S149-N151 PolarHBondContact OG-N 3.11Å; N151-H153 PolarHBondContact O-N 2.94Å; N151-H153 WeakPolarHBondContact OD1-CB 3.28Å; N151-H153 PolarHBondContact OD1-N 3.14Å; N151-D154 HydrophobicContact CB-CB 4.23Å; N151-D154 PolarHBondContact ND2-OD1 3.35Å; N151-D154 PolarHBondContact ND2-OD2 3.38Å; N151-D154 PolarHBondContact O-N 3.24Å; N151-D154 PolarHBondContact OD1-N 3.11Å; N151-I155 PolarHBondContact O-N 3.48Å | ||
| 152 | I | 76.6 | Confident | 82.5 | Confident | 119 Ų | 119 | 73.8 Ų | 73.8 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.9 | -36 | 175.7 | -65.4 | 171.1 | 0 | 0 | 0 | 111.2 | I155 E156 | I152-I155 WeakPolarHBondContact O-CB 3.36Å; I152-I155 PolarHBondContact O-N 3.39Å; I152-E156 PolarHBondContact O-N 3.39Å; I152-E156 VanDerWaalsContact O-N 3.08Å |
| 153 | H | 83.3 | Confident | 82.8 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | -178.2 | -176.9 | 60.6 | 0 | 0 | 0 | 112.2 | N151 I155 E156 V157 | N151-H153 PolarHBondContact O-N 2.94Å; N151-H153 WeakPolarHBondContact OD1-CB 3.28Å; N151-H153 PolarHBondContact OD1-N 3.14Å; H153-I155 PolarHBondContact O-N 3.32Å; H153-E156 PolarHBondContact O-N 2.81Å; H153-V157 WeakPolarHBondContact O-CG2 3.47Å; H153-V157 PolarHBondContact O-N 3.15Å |
| 154 | D | 81.7 | Confident | 83.1 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -32.4 | 177.5 | -69.9 | -3.8 | 0 | 0 | 0 | 111.6 | I66 N151 I158 | I66-D154 HydrophobicContact CD1-CB 3.89Å; I66-D154 HydrophobicContact CG1-CB 3.81Å; N151-D154 HydrophobicContact CB-CB 4.23Å; N151-D154 PolarHBondContact ND2-OD1 3.35Å; N151-D154 PolarHBondContact ND2-OD2 3.38Å; N151-D154 PolarHBondContact O-N 3.24Å; N151-D154 PolarHBondContact OD1-N 3.11Å; D154-I158 WeakPolarHBondContact O-CB 3.35Å; D154-I158 PolarHBondContact O-N 3.44Å |
| 155 | I | 80.7 | Confident | 83.4 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.8 | -44.2 | 177.5 | -64 | 157.8 | 0 | 0 | 0 | 111.2 | I77 Y80 L146 N151 I152 H153 V157 I158 E159 | I77-I155 HydrophobicContact CD1-CG1 4.5Å; Y80-I155 HydrophobicContact CE1-CG2 4.28Å; L146-I155 HydrophobicContact CD1-CD1 3.69Å; L146-I155 HydrophobicContact CD1-CG1 3.92Å; L146-I155 HydrophobicContact CD1-CG2 3.85Å; L146-I155 HydrophobicContact CD2-CD1 3.41Å; L146-I155 VanDerWaalsContact CD2-CD1 3.41Å; L146-I155 HydrophobicContact CD2-CG1 4.47Å; L146-I155 HydrophobicContact CG-CD1 3.99Å; N151-I155 PolarHBondContact O-N 3.48Å; I152-I155 WeakPolarHBondContact O-CB 3.36Å; I152-I155 PolarHBondContact O-N 3.39Å; H153-I155 PolarHBondContact O-N 3.32Å; I155-V157 VanDerWaalsContact C-N 3.31Å; I155-V157 PolarHBondContact O-N 3.23Å; I155-I158 VanDerWaalsContact O-CG2 3.31Å; I155-I158 WeakPolarHBondContact O-CG2 3.18Å; I155-I158 PolarHBondContact O-N 3.09Å; I155-E159 WeakPolarHBondContact O-CG 3.45Å; I155-E159 PolarHBondContact O-N 3.34Å |
| 156 | E | 87.5 | Confident | 83.6 | Confident | 117 Ų | 117 | 58.5 Ų | 58.5 | 55% | 0.547 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.8 | -69.5 | 177.2 | 169.5 | 0 | 0 | 111.4 | I152 H153 E159 Y160 | I152-E156 PolarHBondContact O-N 3.39Å; I152-E156 VanDerWaalsContact O-N 3.08Å; H153-E156 PolarHBondContact O-N 2.81Å; E156-E159 PolarHBondContact O-N 2.78Å; E156-Y160 WeakPolarHBondContact O-CB 3.47Å; E156-Y160 PolarHBondContact O-N 2.95Å |
| 157 | V | 89.5 | Confident | 83.9 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 21% | 0.212 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I62 H153 I155 E159 Y160 L161 | I62-V157 HydrophobicContact CG1-CG1 4.29Å; H153-V157 WeakPolarHBondContact O-CG2 3.47Å; H153-V157 PolarHBondContact O-N 3.15Å; I155-V157 VanDerWaalsContact C-N 3.31Å; I155-V157 PolarHBondContact O-N 3.23Å; V157-E159 PolarHBondContact O-N 3.12Å; V157-Y160 WeakPolarHBondContact O-CB 3.45Å; V157-Y160 PolarHBondContact O-N 3.05Å; V157-L161 HydrophobicContact CG1-CD1 4.03Å; V157-L161 WeakPolarHBondContact O-CG 3.46Å; V157-L161 PolarHBondContact O-N 3.39Å |
| 158 | I | 88.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.9 | -35.4 | -178.7 | -157.7 | 166.2 | 0 | 0 | 0 | 112.2 | F59 I62 K63 I66 I77 L81 D154 I155 Y160 L161 I162 | F59-I158 HydrophobicContact CD2-CD1 4.27Å; F59-I158 HydrophobicContact CD2-CG1 3.69Å; F59-I158 HydrophobicContact CE2-CD1 3.96Å; F59-I158 HydrophobicContact CE2-CG1 3.57Å; I62-I158 HydrophobicContact CG2-CB 4.2Å; I62-I158 HydrophobicContact CG2-CD1 4.45Å; K63-I158 HydrophobicContact CB-CD1 3.84Å; I66-I158 HydrophobicContact CD1-CB 4.37Å; I66-I158 HydrophobicContact CD1-CD1 4.03Å; I66-I158 HydrophobicContact CD1-CG2 4.18Å; I77-I158 HydrophobicContact CD1-CG2 4.29Å; L81-I158 HydrophobicContact CD1-CD1 3.58Å; L81-I158 HydrophobicContact CD1-CG1 4.43Å; L81-I158 HydrophobicContact CD2-CB 4.48Å; L81-I158 HydrophobicContact CD2-CD1 3.7Å; L81-I158 HydrophobicContact CD2-CG1 3.87Å; L81-I158 HydrophobicContact CD2-CG2 3.76Å; L81-I158 HydrophobicContact CG-CD1 4.29Å; D154-I158 WeakPolarHBondContact O-CB 3.35Å; D154-I158 PolarHBondContact O-N 3.44Å; I155-I158 VanDerWaalsContact O-CG2 3.31Å; I155-I158 WeakPolarHBondContact O-CG2 3.18Å; I155-I158 PolarHBondContact O-N 3.09Å; I158-Y160 VanDerWaalsContact C-N 3.34Å; I158-L161 PolarHBondContact O-N 2.9Å; I158-I162 WeakPolarHBondContact O-CG1 3.41Å; I158-I162 PolarHBondContact O-N 3.24Å |
| 159 | E | 88.9 | Confident | 84.9 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 172.2 | -75.8 | -161.5 | 128.3 | 0 | 0 | 111.8 | Y80 R84 I155 E156 V157 L161 I162 L163 | Y80-E159 HydrophobicContact CE1-CG 4.44Å; Y80-E159 VanDerWaalsContact OH-CD 3.25Å; Y80-E159 PolarHBondContact OH-OE1 3.38Å; R84-E159 IonicContact CZ-OE1 3.28Å; R84-E159 IonicContact NE-OE1 3.94Å; R84-E159 PolarHBondContact NE-OE1 3.11Å; R84-E159 IonicContact NH2-OE1 2.63Å; R84-E159 PolarHBondContact NH2-OE1 3.09Å; I155-E159 WeakPolarHBondContact O-CG 3.45Å; I155-E159 PolarHBondContact O-N 3.34Å; E156-E159 PolarHBondContact O-N 2.78Å; V157-E159 PolarHBondContact O-N 3.12Å; E159-L161 PolarHBondContact O-N 2.7Å; E159-I162 PolarHBondContact O-N 3.43Å; E159-L163 PolarHBondContact O-N 2.93Å |
| 160 | Y | 92.6 | Very high | 85.7 | Confident | 128 Ų | 128 | 58.3 Ų | 58.3 | 50% | 0.502 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.4 | 175.9 | -108.8 | 0 | 0 | 0 | 112.4 | E156 V157 I158 I162 L163 K164 | E156-Y160 WeakPolarHBondContact O-CB 3.47Å; E156-Y160 PolarHBondContact O-N 2.95Å; V157-Y160 WeakPolarHBondContact O-CB 3.45Å; V157-Y160 PolarHBondContact O-N 3.05Å; I158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-I162 VanDerWaalsContact C-N 3.35Å; Y160-I162 PolarHBondContact O-N 3.45Å; Y160-L163 WeakPolarHBondContact O-CB 3.13Å; Y160-L163 PolarHBondContact O-N 3.46Å; Y160-K164 HydrophobicContact CD1-CD 4.14Å; Y160-K164 HydrophobicContact CE1-CD 3.52Å; Y160-K164 VanDerWaalsContact CE1-CE 3.49Å; Y160-K164 HydrophobicContact CE1-CG 4.19Å; Y160-K164 HydrophobicContact CE2-CG 4.39Å; Y160-K164 PolarHBondContact O-N 2.66Å; Y160-K164 WeakPolarHBondContact OH-CE 3.44Å; Y160-K164 PolarHBondContact OH-NZ 2.86Å |
| 161 | L | 92.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.9 | -33.5 | 176.7 | -68.4 | 170.2 | 0 | 0 | 0 | 112.7 | N55 E58 F59 I62 V157 I158 E159 R165 | N55-L161 PolarHBondContact ND2-O 3.44Å; N55-L161 VanDerWaalsContact ND2-O 3.07Å; N55-L161 VanDerWaalsContact OD1-CD2 3.29Å; N55-L161 WeakPolarHBondContact OD1-CD2 3.27Å; E58-L161 HydrophobicContact CB-CD1 4.34Å; E58-L161 HydrophobicContact CB-CD2 4.36Å; E58-L161 HydrophobicContact CG-CD1 3.88Å; E58-L161 HydrophobicContact CG-CD2 4.24Å; F59-L161 HydrophobicContact CB-CB 4.24Å; F59-L161 HydrophobicContact CB-CD1 4.39Å; F59-L161 HydrophobicContact CD2-CB 4.15Å; I62-L161 HydrophobicContact CG1-CD1 4.22Å; V157-L161 HydrophobicContact CG1-CD1 4.03Å; V157-L161 WeakPolarHBondContact O-CG 3.46Å; V157-L161 PolarHBondContact O-N 3.39Å; I158-L161 PolarHBondContact O-N 2.9Å; E159-L161 PolarHBondContact O-N 2.7Å; L161-R165 WeakPolarHBondContact O-CB 3.41Å; L161-R165 PolarHBondContact O-N 2.91Å |
| 162 | I | 91.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 171 | -66.8 | 164.7 | 0 | 0 | 0 | 110.2 | F59 L81 R84 Y88 I158 E159 Y160 K164 R165 F166 | F59-I162 HydrophobicContact CD2-CG1 4.16Å; F59-I162 HydrophobicContact CE2-CD1 4.11Å; F59-I162 HydrophobicContact CE2-CG1 3.52Å; F59-I162 HydrophobicContact CZ-CG1 4.36Å; L81-I162 HydrophobicContact CB-CD1 4.32Å; L81-I162 HydrophobicContact CD2-CD1 3.65Å; R84-I162 HydrophobicContact CB-CD1 4.39Å; Y88-I162 HydrophobicContact CD2-CB 4.28Å; Y88-I162 HydrophobicContact CD2-CG2 3.54Å; Y88-I162 HydrophobicContact CE2-CG2 4.3Å; Y88-I162 HydrophobicContact CG-CG2 4.25Å; I158-I162 WeakPolarHBondContact O-CG1 3.41Å; I158-I162 PolarHBondContact O-N 3.24Å; E159-I162 PolarHBondContact O-N 3.43Å; Y160-I162 VanDerWaalsContact C-N 3.35Å; Y160-I162 PolarHBondContact O-N 3.45Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 2.92Å; I162-R165 WeakPolarHBondContact O-CB 3.48Å; I162-R165 PolarHBondContact O-N 3.22Å; I162-F166 HydrophobicContact CG2-CD2 3.97Å; I162-F166 HydrophobicContact CG2-CE2 3.69Å; I162-F166 WeakPolarHBondContact O-CD2 3.4Å; I162-F166 PolarHBondContact O-N 2.97Å |
| 163 | L | 90.7 | Very high | 87.2 | Confident | 65 Ų | 65 | 48 Ų | 48 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.8 | -48.1 | 178.1 | -179.5 | 69.6 | 0 | 0 | 0 | 110.8 | Y88 E159 Y160 R165 F166 Y167 | Y88-L163 HydrophobicContact CD1-CB 4.47Å; Y88-L163 HydrophobicContact CD1-CD1 3.62Å; Y88-L163 HydrophobicContact CE1-CB 4.48Å; Y88-L163 HydrophobicContact CE1-CD1 3.94Å; Y88-L163 HydrophobicContact CG-CD1 4.45Å; E159-L163 PolarHBondContact O-N 2.93Å; Y160-L163 WeakPolarHBondContact O-CB 3.13Å; Y160-L163 PolarHBondContact O-N 3.46Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 3.17Å; L163-F166 PolarHBondContact O-N 3.19Å; L163-Y167 PolarHBondContact O-N 3.47Å |
| 164 | K | 91.5 | Very high | 87 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.7 | -42.9 | 176.4 | -89.4 | -172.9 | 153.8 | 172 | 0 | 113 | N55 Y160 I162 F166 Y167 Y168 | N55-K164 WeakPolarHBondContact OD1-CB 3.5Å; Y160-K164 HydrophobicContact CD1-CD 4.14Å; Y160-K164 HydrophobicContact CE1-CD 3.52Å; Y160-K164 VanDerWaalsContact CE1-CE 3.49Å; Y160-K164 HydrophobicContact CE1-CG 4.19Å; Y160-K164 HydrophobicContact CE2-CG 4.39Å; Y160-K164 PolarHBondContact O-N 2.66Å; Y160-K164 WeakPolarHBondContact OH-CE 3.44Å; Y160-K164 PolarHBondContact OH-NZ 2.86Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 2.92Å; K164-F166 VanDerWaalsContact C-N 3.29Å; K164-F166 PolarHBondContact O-N 3.18Å; K164-Y167 WeakPolarHBondContact O-CB 3.44Å; K164-Y167 PolarHBondContact O-N 3.28Å; K164-Y167 VanDerWaalsContact O-N 3.17Å; K164-Y168 HydrophobicContact CB-CD2 4.44Å; K164-Y168 HydrophobicContact CB-CE2 4.11Å; K164-Y168 HydrophobicContact CD-CE2 4.47Å; K164-Y168 HydrophobicContact CG-CE2 4.49Å; K164-Y168 WeakPolarHBondContact O-CD2 3.01Å; K164-Y168 PolarHBondContact O-N 3.41Å |
| 165 | R | 90.8 | Very high | 86.9 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -52.1 | -49.6 | 176.3 | 178.4 | -170.9 | 176.8 | 134.1 | 6.5 | 111.2 | F52 N55 E56 L161 I162 L163 V169 | F52-R165 HydrophobicContact CE2-CG 3.62Å; F52-R165 HydrophobicContact CZ-CG 4.2Å; N55-R165 PolarHBondContact ND2-N 2.97Å; E56-R165 VanDerWaalsContact CD-NH1 3.31Å; E56-R165 IonicContact OE1-CZ 3.69Å; E56-R165 IonicContact OE1-NH1 3.14Å; E56-R165 PolarHBondContact OE1-NH1 3.49Å; E56-R165 IonicContact OE1-NH2 3.26Å; E56-R165 IonicContact OE2-CZ 2.7Å; E56-R165 IonicContact OE2-NE 2.67Å; E56-R165 IonicContact OE2-NH1 3.56Å; E56-R165 PolarHBondContact OE2-NH1 3.33Å; L161-R165 WeakPolarHBondContact O-CB 3.41Å; L161-R165 PolarHBondContact O-N 2.91Å; I162-R165 WeakPolarHBondContact O-CB 3.48Å; I162-R165 PolarHBondContact O-N 3.22Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 3.17Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.4Å |
| 166 | F | 88.6 | Confident | 86.7 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.7 | -31.9 | -179.3 | -68.3 | -72 | 0 | 0 | 0 | 112.9 | S85 R89 E92 I162 L163 K164 V169 R170 | S85-F166 WeakPolarHBondContact O-CE2 3.39Å; S85-F166 WeakPolarHBondContact O-CZ 3.22Å; R89-F166 HydrophobicContact CB-CD1 4.13Å; R89-F166 HydrophobicContact CB-CE1 3.59Å; R89-F166 HydrophobicContact CB-CE2 4.46Å; R89-F166 HydrophobicContact CB-CZ 3.79Å; R89-F166 HydrophobicContact CG-CD1 4.42Å; R89-F166 HydrophobicContact CG-CE1 3.89Å; R89-F166 HydrophobicContact CG-CZ 4.49Å; E92-F166 HydrophobicContact CB-CB 4.01Å; E92-F166 HydrophobicContact CG-CB 3.62Å; I162-F166 HydrophobicContact CG2-CD2 3.97Å; I162-F166 HydrophobicContact CG2-CE2 3.69Å; I162-F166 WeakPolarHBondContact O-CD2 3.4Å; I162-F166 PolarHBondContact O-N 2.97Å; L163-F166 PolarHBondContact O-N 3.19Å; K164-F166 VanDerWaalsContact C-N 3.29Å; K164-F166 PolarHBondContact O-N 3.18Å; F166-V169 PolarHBondContact O-N 3.1Å; F166-R170 PolarHBondContact O-N 3.32Å |
| 167 | Y | 88.7 | Confident | 86.1 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.3 | -51.1 | 170.1 | 168.9 | -90.9 | 0 | 0 | 0 | 111.6 | L163 K164 V169 R170 V171 | L163-Y167 PolarHBondContact O-N 3.47Å; K164-Y167 WeakPolarHBondContact O-CB 3.44Å; K164-Y167 PolarHBondContact O-N 3.28Å; K164-Y167 VanDerWaalsContact O-N 3.17Å; Y167-V169 VanDerWaalsContact C-N 3.31Å; Y167-V169 PolarHBondContact O-N 3.24Å; Y167-R170 WeakPolarHBondContact O-CA 3.22Å; Y167-R170 WeakPolarHBondContact O-CB 3.32Å; Y167-R170 PolarHBondContact O-N 2.92Å; Y167-V171 HydrophobicContact CD1-CG2 4.25Å; Y167-V171 HydrophobicContact CD2-CG2 4.4Å; Y167-V171 HydrophobicContact CE1-CG2 3.76Å; Y167-V171 HydrophobicContact CE2-CG2 3.94Å; Y167-V171 WeakPolarHBondContact O-CG2 2.79Å; Y167-V171 PolarHBondContact O-N 3.47Å |
| 168 | Y | 87.5 | Confident | 85.3 | Confident | 35 Ų | 35 | 41 Ų | 41 | 14% | 0.137 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 179.3 | -69.9 | -54.2 | 0 | 0 | 0 | 112 | E48 H51 N55 K164 R170 V171 F172 | E48-Y168 VanDerWaalsContact OE2-CD1 3.28Å; E48-Y168 WeakPolarHBondContact OE2-CD1 3.36Å; H51-Y168 HydrophobicContact CB-CD1 4.07Å; H51-Y168 HydrophobicContact CB-CE1 3.57Å; H51-Y168 HydrophobicContact CB-CE2 4.31Å; N55-Y168 HydrophobicContact CB-CD2 4.21Å; N55-Y168 HydrophobicContact CB-CE2 3.96Å; K164-Y168 HydrophobicContact CB-CD2 4.44Å; K164-Y168 HydrophobicContact CB-CE2 4.11Å; K164-Y168 HydrophobicContact CD-CE2 4.47Å; K164-Y168 HydrophobicContact CG-CE2 4.49Å; K164-Y168 WeakPolarHBondContact O-CD2 3.01Å; K164-Y168 PolarHBondContact O-N 3.41Å; Y168-R170 VanDerWaalsContact C-N 3.33Å; Y168-R170 PolarHBondContact O-N 2.67Å; Y168-V171 PolarHBondContact O-N 2.9Å; Y168-F172 WeakPolarHBondContact O-CB 2.89Å; Y168-F172 PolarHBondContact O-N 2.98Å |
| 169 | V | 84.1 | Confident | 84.8 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 16% | 0.158 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 172.7 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | Y2 F52 R165 F166 Y167 N173 | Y2-V169 HydrophobicContact CE1-CG1 4.31Å; F52-V169 HydrophobicContact CD2-CG2 4.15Å; F52-V169 HydrophobicContact CE2-CG2 3.67Å; R165-V169 WeakPolarHBondContact O-CG2 3.44Å; R165-V169 PolarHBondContact O-N 3.4Å; F166-V169 PolarHBondContact O-N 3.1Å; Y167-V169 VanDerWaalsContact C-N 3.31Å; Y167-V169 PolarHBondContact O-N 3.24Å; V169-N173 WeakPolarHBondContact CG1-ND2 3.31Å; V169-N173 WeakPolarHBondContact O-CB 3.39Å; V169-N173 PolarHBondContact O-N 3.06Å; V169-N173 PolarHBondContact O-ND2 3.35Å |
| 170 | R | 86 | Confident | 84 | Confident | 39 Ų | 39 | 43 Ų | 43 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -50.7 | 176.1 | -179.8 | -176.5 | 67.7 | -158 | 9.1 | 111.2 | E92 L96 F166 Y167 Y168 N173 K174 | E92-R170 IonicContact OE1-CZ 3.46Å; E92-R170 IonicContact OE1-NH1 2.79Å; E92-R170 PolarHBondContact OE1-NH1 2.99Å; E92-R170 WeakPolarHBondContact OE2-CD 3.48Å; E92-R170 IonicContact OE2-CZ 3.17Å; E92-R170 IonicContact OE2-NE 3.65Å; E92-R170 PolarHBondContact OE2-NE 3.35Å; E92-R170 IonicContact OE2-NH1 2.92Å; E92-R170 PolarHBondContact OE2-NH1 3.05Å; L96-R170 HydrophobicContact CB-CG 4.19Å; L96-R170 HydrophobicContact CD1-CG 4.12Å; F166-R170 PolarHBondContact O-N 3.32Å; Y167-R170 WeakPolarHBondContact O-CA 3.22Å; Y167-R170 WeakPolarHBondContact O-CB 3.32Å; Y167-R170 PolarHBondContact O-N 2.92Å; Y168-R170 VanDerWaalsContact C-N 3.33Å; Y168-R170 PolarHBondContact O-N 2.67Å; R170-N173 PolarHBondContact O-N 2.91Å; R170-K174 WeakPolarHBondContact O-CB 3.45Å; R170-K174 PolarHBondContact O-N 3.16Å |
| 171 | V | 84.7 | Confident | 82.8 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 13% | 0.127 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -49 | 179.7 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | E48 Y167 Y168 N173 K174 E175 | E48-V171 HydrophobicContact CG-CG1 3.84Å; Y167-V171 HydrophobicContact CD1-CG2 4.25Å; Y167-V171 HydrophobicContact CD2-CG2 4.4Å; Y167-V171 HydrophobicContact CE1-CG2 3.76Å; Y167-V171 HydrophobicContact CE2-CG2 3.94Å; Y167-V171 WeakPolarHBondContact O-CG2 2.79Å; Y167-V171 PolarHBondContact O-N 3.47Å; Y168-V171 PolarHBondContact O-N 2.9Å; V171-N173 PolarHBondContact O-N 3.01Å; V171-K174 WeakPolarHBondContact O-CB 3.48Å; V171-K174 PolarHBondContact O-N 3.14Å; V171-K174 VanDerWaalsContact O-N 3.13Å; V171-E175 HydrophobicContact CG1-CG 4.16Å; V171-E175 WeakPolarHBondContact O-CG 2.98Å; V171-E175 PolarHBondContact O-N 2.67Å |
| 172 | F | 82.8 | Confident | 81.6 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -53.6 | -49.5 | 175.4 | 172.6 | -89.7 | 0 | 0 | 0 | 112.6 | I45 I49 Y168 K174 E175 L176 | I45-F172 HydrophobicContact CG2-CD2 3.95Å; I45-F172 HydrophobicContact CG2-CE2 3.6Å; I49-F172 HydrophobicContact CD1-CE2 4.02Å; I49-F172 HydrophobicContact CG1-CD2 4.09Å; I49-F172 HydrophobicContact CG1-CE2 3.99Å; Y168-F172 WeakPolarHBondContact O-CB 2.89Å; Y168-F172 PolarHBondContact O-N 2.98Å; F172-K174 VanDerWaalsContact C-N 3.28Å; F172-K174 PolarHBondContact O-N 3.12Å; F172-E175 PolarHBondContact O-N 3.18Å; F172-L176 HydrophobicContact CE1-CB 4.48Å; F172-L176 HydrophobicContact CE1-CD2 3.8Å; F172-L176 HydrophobicContact CZ-CD2 4.05Å; F172-L176 VanDerWaalsContact O-CB 3.23Å; F172-L176 WeakPolarHBondContact O-CB 3.49Å; F172-L176 PolarHBondContact O-N 3.38Å |
| 173 | N | 78.2 | Confident | 80.8 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | -179.4 | -80.1 | -62.3 | 0 | 0 | 0 | 112 | L96 V169 R170 V171 F177 | L96-N173 HydrophobicContact CD2-CB 4.08Å; V169-N173 WeakPolarHBondContact CG1-ND2 3.31Å; V169-N173 WeakPolarHBondContact O-CB 3.39Å; V169-N173 PolarHBondContact O-N 3.06Å; V169-N173 PolarHBondContact O-ND2 3.35Å; R170-N173 PolarHBondContact O-N 2.91Å; V171-N173 PolarHBondContact O-N 3.01Å; N173-F177 WeakPolarHBondContact O-CB 3.21Å; N173-F177 PolarHBondContact O-N 3.36Å |
| 174 | K | 79.5 | Confident | 79.7 | Confident | 59 Ų | 59 | 43.2 Ų | 43.2 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 175.5 | 166.7 | 178.4 | 164.7 | 178.8 | 0 | 111.8 | E99 R103 R170 V171 F172 L176 F177 H178 | E99-K174 WeakPolarHBondContact OE2-CD 2.85Å; R103-K174 VanDerWaalsContact NH2-CE 3.34Å; R170-K174 WeakPolarHBondContact O-CB 3.45Å; R170-K174 PolarHBondContact O-N 3.16Å; V171-K174 WeakPolarHBondContact O-CB 3.48Å; V171-K174 PolarHBondContact O-N 3.14Å; V171-K174 VanDerWaalsContact O-N 3.13Å; F172-K174 VanDerWaalsContact C-N 3.28Å; F172-K174 PolarHBondContact O-N 3.12Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 3.01Å; K174-F177 WeakPolarHBondContact O-CB 3.28Å; K174-F177 PolarHBondContact O-N 3.25Å; K174-H178 WeakPolarHBondContact CG-CE1 3.33Å; K174-H178 PolarHBondContact O-CE1 3.34Å; K174-H178 VanDerWaalsContact O-CE1 3.28Å; K174-H178 PolarHBondContact O-N 2.51Å; K174-H178 VanDerWaalsContact O-N 3.09Å; K174-H178 PolarHBondContact O-ND1 3.16Å; K174-H178 PolarHBondContact O-NE2 2.64Å |
| 175 | E | 79.1 | Confident | 78.3 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -38 | 178.7 | -62.3 | -64.5 | 124.9 | 0 | 0 | 111.3 | L41 N44 I45 V171 F172 F177 H178 H179 | L41-E175 WeakPolarHBondContact CD2-OE2 3.04Å; N44-E175 PolarHBondContact ND2-OE2 3.2Å; I45-E175 HydrophobicContact CD1-CB 4.29Å; I45-E175 HydrophobicContact CG1-CB 3.65Å; V171-E175 HydrophobicContact CG1-CG 4.16Å; V171-E175 WeakPolarHBondContact O-CG 2.98Å; V171-E175 PolarHBondContact O-N 2.67Å; F172-E175 PolarHBondContact O-N 3.18Å; E175-F177 VanDerWaalsContact C-N 3.33Å; E175-F177 PolarHBondContact O-N 2.92Å; E175-H178 PolarHBondContact O-N 2.9Å; E175-H179 WeakPolarHBondContact O-CB 3.4Å; E175-H179 PolarHBondContact O-N 3.45Å |
| 176 | L | 78.2 | Confident | 77.4 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.3 | -178.5 | 61.3 | 0 | 0 | 0 | 111.7 | L6 F172 K174 H179 Q180 | L6-L176 HydrophobicContact CD2-CD2 3.84Å; F172-L176 HydrophobicContact CE1-CB 4.48Å; F172-L176 HydrophobicContact CE1-CD2 3.8Å; F172-L176 HydrophobicContact CZ-CD2 4.05Å; F172-L176 VanDerWaalsContact O-CB 3.23Å; F172-L176 WeakPolarHBondContact O-CB 3.49Å; F172-L176 PolarHBondContact O-N 3.38Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 3.01Å; L176-H179 PolarHBondContact O-N 3.36Å; L176-Q180 HydrophobicContact CD1-CG 4.18Å; L176-Q180 WeakPolarHBondContact O-CB 3.48Å; L176-Q180 WeakPolarHBondContact O-CG 3.25Å; L176-Q180 PolarHBondContact O-N 2.94Å |
| 177 | F | 74.3 | Confident | 76.7 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 172.2 | -179.8 | -81.5 | 0 | 0 | 0 | 110.7 | V9 F12 M13 L100 N173 K174 E175 H179 F181 | V9-F177 HydrophobicContact CB-CD2 3.84Å; V9-F177 HydrophobicContact CB-CE2 4.12Å; V9-F177 HydrophobicContact CG1-CB 4.34Å; V9-F177 HydrophobicContact CG1-CD2 3.16Å; V9-F177 HydrophobicContact CG1-CE2 3.7Å; V9-F177 HydrophobicContact CG1-CG 4.11Å; V9-F177 HydrophobicContact CG2-CD2 3.52Å; V9-F177 HydrophobicContact CG2-CE2 3.85Å; F12-F177 AromaticContact CD1-CE2 3.96Å; F12-F177 HydrophobicContact CD1-CE2 3.96Å; F12-F177 AromaticContact CD1-CZ 3.52Å; F12-F177 HydrophobicContact CD1-CZ 3.52Å; F12-F177 HydrophobicContact CE1-CE1 4.39Å; F12-F177 HydrophobicContact CE1-CE2 4.45Å; F12-F177 AromaticContact CE1-CZ 3.59Å; F12-F177 HydrophobicContact CE1-CZ 3.59Å; M13-F177 VanDerWaalsContact CE-O 3.29Å; M13-F177 WeakPolarHBondContact CE-O 3.43Å; M13-F177 HydrophobicContact SD-CE2 4.37Å; M13-F177 HydrophobicContact SD-CZ 4.29Å; L100-F177 HydrophobicContact CD2-CD1 4.44Å; L100-F177 HydrophobicContact CD2-CD2 3.84Å; L100-F177 HydrophobicContact CD2-CE2 3.98Å; L100-F177 HydrophobicContact CD2-CG 4.15Å; L100-F177 HydrophobicContact CD2-CZ 4.3Å; N173-F177 WeakPolarHBondContact O-CB 3.21Å; N173-F177 PolarHBondContact O-N 3.36Å; K174-F177 WeakPolarHBondContact O-CB 3.28Å; K174-F177 PolarHBondContact O-N 3.25Å; E175-F177 VanDerWaalsContact C-N 3.33Å; E175-F177 PolarHBondContact O-N 2.92Å; F177-H179 PolarHBondContact O-N 3.44Å; F177-F181 WeakPolarHBondContact O-CB 3.46Å; F177-F181 PolarHBondContact O-N 3.47Å; F177-F181 VanDerWaalsContact O-N 3.14Å |
| 178 | H | 71.9 | Confident | 75.6 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 12% | 0.12 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.8 | -56.8 | 142.7 | 0 | 0 | 0 | 112.5 | L41 R103 K174 E175 F181 L182 | L41-H178 HydrophobicContact CD1-CB 3.62Å; L41-H178 HydrophobicContact CD2-CB 4.14Å; R103-H178 PolarHBondContact NE-NE2 3.22Å; R103-H178 PolarHBondContact NH1-CD2 3.4Å; R103-H178 PolarHBondContact NH1-CE1 2.96Å; R103-H178 PolarHBondContact NH1-NE2 3.43Å; R103-H178 PolarHBondContact NH2-CE1 3.04Å; R103-H178 PolarHBondContact NH2-NE2 3.44Å; K174-H178 WeakPolarHBondContact CG-CE1 3.33Å; K174-H178 PolarHBondContact O-CE1 3.34Å; K174-H178 VanDerWaalsContact O-CE1 3.28Å; K174-H178 PolarHBondContact O-N 2.51Å; K174-H178 VanDerWaalsContact O-N 3.09Å; K174-H178 PolarHBondContact O-ND1 3.16Å; K174-H178 PolarHBondContact O-NE2 2.64Å; E175-H178 PolarHBondContact O-N 2.9Å; H178-F181 WeakPolarHBondContact O-CB 3.35Å; H178-F181 PolarHBondContact O-N 3.41Å; H178-F181 VanDerWaalsContact O-N 3.11Å; H178-L182 WeakPolarHBondContact O-CB 3.45Å; H178-L182 PolarHBondContact O-N 2.89Å |
| 179 | H | 78.4 | Confident | 74.7 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 21% | 0.208 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -51.8 | -178.6 | 173.7 | -74.5 | 0 | 0 | 0 | 110.2 | L38 L41 I45 E175 L176 F177 F181 W183 | L38-H179 VanDerWaalsContact CD2-O 3.25Å; L38-H179 WeakPolarHBondContact CD2-O 3.42Å; L41-H179 HydrophobicContact CB-CB 4.29Å; L41-H179 HydrophobicContact CD1-CB 4.17Å; I45-H179 HydrophobicContact CD1-CB 3.86Å; E175-H179 WeakPolarHBondContact O-CB 3.4Å; E175-H179 PolarHBondContact O-N 3.45Å; L176-H179 PolarHBondContact O-N 3.36Å; F177-H179 PolarHBondContact O-N 3.44Å; H179-F181 PolarHBondContact O-N 3.29Å; H179-W183 WeakPolarHBondContact O-CB 3.3Å; H179-W183 PolarHBondContact O-N 3.47Å |
| 180 | Q | 71.9 | Confident | 74.3 | Confident | 38 Ų | 38 | 40.4 Ų | 40.4 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -28.9 | 179.2 | -72.2 | 172.2 | -14.6 | 0 | 0 | 111 | N10 M13 L176 K184 | N10-Q180 PolarHBondContact OD1-NE2 2.99Å; N10-Q180 PolarHBondContact OD1-OE1 3.48Å; M13-Q180 VanDerWaalsContact CE-CA 3.5Å; M13-Q180 HydrophobicContact CE-CB 2.96Å; M13-Q180 HydrophobicContact CE-CG 4.31Å; M13-Q180 WeakPolarHBondContact CE-O 3.44Å; L176-Q180 HydrophobicContact CD1-CG 4.18Å; L176-Q180 WeakPolarHBondContact O-CB 3.48Å; L176-Q180 WeakPolarHBondContact O-CG 3.25Å; L176-Q180 PolarHBondContact O-N 2.94Å; Q180-K184 WeakPolarHBondContact O-CB 3.37Å; Q180-K184 WeakPolarHBondContact O-CG 3.31Å; Q180-K184 PolarHBondContact O-N 3.12Å |
| 181 | F | 68.4 | Low | 73.8 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.9 | -54.7 | -173.5 | 178.1 | -110.2 | 0 | 0 | 0 | 109.2 | M13 F16 F177 H178 H179 W183 K184 M185 | M13-F181 HydrophobicContact CE-CB 3.76Å; M13-F181 WeakPolarHBondContact SD-CA 3.46Å; M13-F181 HydrophobicContact SD-CB 3.31Å; M13-F181 WeakPolarHBondContact SD-CB 3.46Å; M13-F181 HydrophobicContact SD-CD2 3.6Å; M13-F181 VanDerWaalsContact SD-CD2 3.6Å; M13-F181 HydrophobicContact SD-CG 3.92Å; F16-F181 HydrophobicContact CB-CE2 4.19Å; F16-F181 AromaticContact CD1-CE2 3.58Å; F16-F181 HydrophobicContact CD1-CE2 3.58Å; F16-F181 AromaticContact CD1-CZ 3.7Å; F16-F181 HydrophobicContact CD1-CZ 3.7Å; F16-F181 HydrophobicContact CE1-CE2 4.19Å; F16-F181 AromaticContact CE1-CZ 3.87Å; F16-F181 HydrophobicContact CE1-CZ 3.87Å; F16-F181 AromaticContact CG-CE2 3.98Å; F16-F181 HydrophobicContact CG-CE2 3.98Å; F16-F181 HydrophobicContact CG-CZ 4.48Å; F177-F181 WeakPolarHBondContact O-CB 3.46Å; F177-F181 PolarHBondContact O-N 3.47Å; F177-F181 VanDerWaalsContact O-N 3.14Å; H178-F181 WeakPolarHBondContact O-CB 3.35Å; H178-F181 PolarHBondContact O-N 3.41Å; H178-F181 VanDerWaalsContact O-N 3.11Å; H179-F181 PolarHBondContact O-N 3.29Å; F181-W183 PolarHBondContact O-N 3.34Å; F181-K184 PolarHBondContact O-N 3.17Å; F181-K184 VanDerWaalsContact O-N 3.17Å; F181-M185 HydrophobicContact CD1-CE 3.6Å; F181-M185 HydrophobicContact CD1-SD 4.19Å; F181-M185 HydrophobicContact CE1-CE 3.24Å; F181-M185 HydrophobicContact CE1-CG 4.21Å; F181-M185 HydrophobicContact CE1-SD 3.44Å; F181-M185 WeakPolarHBondContact CE1-SD 3.46Å; F181-M185 HydrophobicContact CE2-CG 4.43Å; F181-M185 HydrophobicContact CE2-SD 4.36Å; F181-M185 HydrophobicContact CZ-CE 4Å; F181-M185 HydrophobicContact CZ-CG 4.16Å; F181-M185 HydrophobicContact CZ-SD 3.54Å; F181-M185 VanDerWaalsContact CZ-SD 3.54Å; F181-M185 PolarHBondContact O-N 3.15Å |
| 182 | L | 67.4 | Low | 73.1 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -37.3 | 175.5 | -72 | 172.6 | 0 | 0 | 0 | 111.2 | E37 L38 L41 H178 M185 L186 | E37-L182 HydrophobicContact CB-CD1 3.86Å; L38-L182 HydrophobicContact CD1-CB 4.46Å; L38-L182 HydrophobicContact CD2-CB 3.81Å; L38-L182 HydrophobicContact CG-CB 3.92Å; L41-L182 HydrophobicContact CD1-CD1 3.49Å; L41-L182 VanDerWaalsContact CD1-CD1 3.49Å; H178-L182 WeakPolarHBondContact O-CB 3.45Å; H178-L182 PolarHBondContact O-N 2.89Å; L182-M185 HydrophobicContact CD2-CE 3.53Å; L182-M185 HydrophobicContact CG-CE 4.43Å; L182-M185 PolarHBondContact O-N 2.92Å; L182-L186 WeakPolarHBondContact O-CB 2.96Å; L182-L186 PolarHBondContact O-N 3.43Å |
| 183 | W | 74.3 | Confident | 72.4 | Confident | 118 Ų | 118 | 48.2 Ų | 48.2 | 45% | 0.447 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 177.1 | 179.3 | -91.7 | 0 | 0 | 0 | 111.1 | L38 H179 F181 L186 E187 | L38-W183 HydrophobicContact CD1-CE3 3.99Å; L38-W183 HydrophobicContact CD2-CB 4.03Å; H179-W183 WeakPolarHBondContact O-CB 3.3Å; H179-W183 PolarHBondContact O-N 3.47Å; F181-W183 PolarHBondContact O-N 3.34Å; W183-L186 WeakPolarHBondContact O-CB 3.28Å; W183-L186 PolarHBondContact O-N 3.33Å; W183-E187 PolarHBondContact NE1-OE1 3.34Å; W183-E187 PolarHBondContact NE1-OE2 3.11Å; W183-E187 WeakPolarHBondContact O-CG 3.29Å; W183-E187 PolarHBondContact O-N 3.18Å |
| 184 | K | 67.4 | Low | 71.9 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 13% | 0.13 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 179.8 | -87.2 | -170.2 | -164.3 | 177.7 | 0 | 112.4 | N10 M13 V14 I17 Q180 F181 L186 E187 E188 | N10-K184 PolarHBondContact O-NZ 3.5Å; M13-K184 VanDerWaalsContact C-CD 3.43Å; M13-K184 HydrophobicContact CB-CD 3.68Å; M13-K184 WeakPolarHBondContact O-CD 2.8Å; V14-K184 HydrophobicContact CG2-CD 4.44Å; I17-K184 HydrophobicContact CD1-CB 3.42Å; I17-K184 VanDerWaalsContact CD1-CB 3.42Å; I17-K184 HydrophobicContact CD1-CD 4.04Å; I17-K184 HydrophobicContact CD1-CG 3.97Å; I17-K184 HydrophobicContact CG1-CB 3.88Å; Q180-K184 WeakPolarHBondContact O-CB 3.37Å; Q180-K184 WeakPolarHBondContact O-CG 3.31Å; Q180-K184 PolarHBondContact O-N 3.12Å; F181-K184 PolarHBondContact O-N 3.17Å; F181-K184 VanDerWaalsContact O-N 3.17Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.07Å; K184-E187 PolarHBondContact O-N 3.32Å; K184-E188 PolarHBondContact O-N 3.4Å; K184-E188 VanDerWaalsContact O-N 3.11Å |
| 185 | M | 62.4 | Low | 70.9 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 170.6 | -71.9 | -159.3 | -57.6 | 0 | 0 | 112.4 | I17 F181 L182 E187 E188 M189 | I17-M185 HydrophobicContact CG2-CB 4.44Å; I17-M185 HydrophobicContact CG2-CG 4.24Å; F181-M185 HydrophobicContact CD1-CE 3.6Å; F181-M185 HydrophobicContact CD1-SD 4.19Å; F181-M185 HydrophobicContact CE1-CE 3.24Å; F181-M185 HydrophobicContact CE1-CG 4.21Å; F181-M185 HydrophobicContact CE1-SD 3.44Å; F181-M185 WeakPolarHBondContact CE1-SD 3.46Å; F181-M185 HydrophobicContact CE2-CG 4.43Å; F181-M185 HydrophobicContact CE2-SD 4.36Å; F181-M185 HydrophobicContact CZ-CE 4Å; F181-M185 HydrophobicContact CZ-CG 4.16Å; F181-M185 HydrophobicContact CZ-SD 3.54Å; F181-M185 VanDerWaalsContact CZ-SD 3.54Å; F181-M185 PolarHBondContact O-N 3.15Å; L182-M185 HydrophobicContact CD2-CE 3.53Å; L182-M185 HydrophobicContact CG-CE 4.43Å; L182-M185 PolarHBondContact O-N 2.92Å; M185-E187 VanDerWaalsContact C-N 3.34Å; M185-E187 PolarHBondContact O-N 3.26Å; M185-E188 PolarHBondContact O-N 2.74Å; M185-M189 HydrophobicContact CB-CE 4.31Å; M185-M189 WeakPolarHBondContact O-CB 3.47Å; M185-M189 VanDerWaalsContact O-CG 3.25Å; M185-M189 WeakPolarHBondContact O-CG 3.38Å; M185-M189 PolarHBondContact O-N 2.85Å |
| 186 | L | 70.9 | Confident | 70.5 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.4 | 178.8 | 67.1 | 0 | 0 | 0 | 111.8 | I31 A34 E35 L38 L182 W183 K184 M189 K190 | I31-L186 HydrophobicContact CB-CD1 4.14Å; I31-L186 HydrophobicContact CG1-CD1 4.22Å; I31-L186 HydrophobicContact CG2-CD1 3.69Å; A34-L186 HydrophobicContact CB-CB 4.47Å; A34-L186 HydrophobicContact CB-CD1 4.23Å; E35-L186 HydrophobicContact CG-CD1 3.81Å; E35-L186 HydrophobicContact CG-CD2 3.54Å; E35-L186 HydrophobicContact CG-CG 4.34Å; L38-L186 HydrophobicContact CD1-CB 4.26Å; L38-L186 HydrophobicContact CD1-CD2 3.52Å; L182-L186 WeakPolarHBondContact O-CB 2.96Å; L182-L186 PolarHBondContact O-N 3.43Å; W183-L186 WeakPolarHBondContact O-CB 3.28Å; W183-L186 PolarHBondContact O-N 3.33Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.07Å; L186-M189 PolarHBondContact O-N 3.22Å; L186-K190 HydrophobicContact CD1-CD 4.33Å; L186-K190 HydrophobicContact CD1-CG 4.38Å; L186-K190 HydrophobicContact CG-CD 4.17Å; L186-K190 WeakPolarHBondContact O-CB 3.2Å; L186-K190 VanDerWaalsContact O-CG 3.28Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 2.98Å |
| 187 | E | 74.8 | Confident | 70.1 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 40% | 0.397 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 177 | -76.2 | -179.3 | 146.6 | 0 | 0 | 112.3 | W183 K184 M185 K190 K191 | W183-E187 PolarHBondContact NE1-OE1 3.34Å; W183-E187 PolarHBondContact NE1-OE2 3.11Å; W183-E187 WeakPolarHBondContact O-CG 3.29Å; W183-E187 PolarHBondContact O-N 3.18Å; K184-E187 PolarHBondContact O-N 3.32Å; M185-E187 VanDerWaalsContact C-N 3.34Å; M185-E187 PolarHBondContact O-N 3.26Å; E187-K190 PolarHBondContact O-N 3.11Å; E187-K191 WeakPolarHBondContact O-CG 3.44Å; E187-K191 PolarHBondContact O-N 3.21Å |
| 188 | E | 66.3 | Low | 69.8 | Low | 31 Ų | 31 | 67.4 Ų | 67.4 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.3 | -40.9 | 177.2 | -66.3 | -57.8 | 140.7 | 0 | 0 | 112.7 | I17 I21 K184 M185 K190 K191 Q192 | I17-E188 HydrophobicContact CB-CB 4.33Å; I17-E188 HydrophobicContact CB-CG 3.55Å; I17-E188 HydrophobicContact CD1-CG 3.81Å; I17-E188 HydrophobicContact CG1-CG 4.31Å; I17-E188 HydrophobicContact CG2-CB 3.37Å; I17-E188 HydrophobicContact CG2-CG 3.08Å; I21-E188 HydrophobicContact CD1-CB 3.79Å; K184-E188 PolarHBondContact O-N 3.4Å; K184-E188 VanDerWaalsContact O-N 3.11Å; M185-E188 PolarHBondContact O-N 2.74Å; E188-K190 PolarHBondContact O-N 3.26Å; E188-K191 WeakPolarHBondContact O-CB 3.16Å; E188-K191 PolarHBondContact O-N 2.72Å; E188-K191 IonicContact OE1-NZ 3.13Å; E188-K191 PolarHBondContact OE1-NZ 3.39Å; E188-K191 WeakPolarHBondContact OE2-CD 3.1Å; E188-K191 IonicContact OE2-NZ 2.78Å; E188-Q192 PolarHBondContact O-N 3.41Å |
| 189 | M | 67.6 | Low | 69.7 | Low | 25 Ų | 25 | 69.9 Ų | 69.9 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.3 | -40.9 | 173.6 | -71.7 | 179.3 | -167 | 0 | 0 | 110.8 | I21 L27 K30 I31 M185 L186 K191 Q192 | I21-M189 HydrophobicContact CD1-CG 4.25Å; L27-M189 HydrophobicContact CD1-CB 3.69Å; L27-M189 HydrophobicContact CD1-CG 3.69Å; L27-M189 HydrophobicContact CD1-SD 4.33Å; K30-M189 HydrophobicContact CB-CE 4.44Å; K30-M189 HydrophobicContact CB-SD 3.97Å; I31-M189 HydrophobicContact CD1-CB 3.98Å; I31-M189 HydrophobicContact CG1-CB 3.63Å; I31-M189 HydrophobicContact CG1-SD 4.21Å; M185-M189 HydrophobicContact CB-CE 4.31Å; M185-M189 WeakPolarHBondContact O-CB 3.47Å; M185-M189 VanDerWaalsContact O-CG 3.25Å; M185-M189 WeakPolarHBondContact O-CG 3.38Å; M185-M189 PolarHBondContact O-N 2.85Å; L186-M189 PolarHBondContact O-N 3.22Å; M189-K191 VanDerWaalsContact C-N 3.33Å; M189-K191 PolarHBondContact O-N 2.73Å; M189-Q192 PolarHBondContact O-N 2.97Å |
| 190 | K | 76.9 | Confident | 69.2 | Low | 89 Ų | 89 | 71.4 Ų | 71.4 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -31.5 | 176.6 | -78.7 | 178.3 | 175.2 | 179.9 | 0 | 113.6 | I31 E35 L186 E187 E188 Q192 L193 | I31-K190 HydrophobicContact CD1-CG 4.26Å; E35-K190 WeakPolarHBondContact OE1-CE 3.37Å; E35-K190 IonicContact OE1-NZ 2.69Å; E35-K190 PolarHBondContact OE1-NZ 3.41Å; L186-K190 HydrophobicContact CD1-CD 4.33Å; L186-K190 HydrophobicContact CD1-CG 4.38Å; L186-K190 HydrophobicContact CG-CD 4.17Å; L186-K190 WeakPolarHBondContact O-CB 3.2Å; L186-K190 VanDerWaalsContact O-CG 3.28Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 2.98Å; E187-K190 PolarHBondContact O-N 3.11Å; E188-K190 PolarHBondContact O-N 3.26Å; K190-Q192 PolarHBondContact O-N 3.42Å; K190-L193 PolarHBondContact O-N 3.5Å |
| 191 | K | 74.4 | Confident | 69 | Low | 146 Ų | 146 | 73.7 Ų | 73.7 | 64% | 0.635 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.4 | -19.6 | 175.9 | -70.6 | 172.4 | -171.3 | 173.3 | 0 | 113.3 | E187 E188 M189 | E187-K191 WeakPolarHBondContact O-CG 3.44Å; E187-K191 PolarHBondContact O-N 3.21Å; E188-K191 WeakPolarHBondContact O-CB 3.16Å; E188-K191 PolarHBondContact O-N 2.72Å; E188-K191 IonicContact OE1-NZ 3.13Å; E188-K191 PolarHBondContact OE1-NZ 3.39Å; E188-K191 WeakPolarHBondContact OE2-CD 3.1Å; E188-K191 IonicContact OE2-NZ 2.78Å; M189-K191 VanDerWaalsContact C-N 3.33Å; M189-K191 PolarHBondContact O-N 2.73Å |
| 192 | Q | 69.8 | Low | 69 | Low | 75 Ų | 75 | 77.6 Ų | 77.6 | 35% | 0.35 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -94 | -13.2 | -179.4 | -62.4 | -173.4 | 11.6 | 0 | 0 | 113.6 | L27 E188 M189 K190 | L27-Q192 HydrophobicContact CD2-CB 3.88Å; E188-Q192 PolarHBondContact O-N 3.41Å; M189-Q192 PolarHBondContact O-N 2.97Å; K190-Q192 PolarHBondContact O-N 3.42Å |
| 193 | L | 69.1 | Low | 69.1 | Low | 64 Ų | 64 | 80.9 Ų | 80.9 | 34% | 0.335 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -58.7 | 127.7 | 171 | -75.2 | 171 | 0 | 0 | 0 | 108.5 | L27 I28 I31 K190 N195 | L27-L193 HydrophobicContact CD2-CD2 4.31Å; L27-L193 HydrophobicContact CD2-CG 4.49Å; I28-L193 HydrophobicContact CG1-CD2 3.86Å; I31-L193 HydrophobicContact CD1-CD1 3.59Å; I31-L193 HydrophobicContact CD1-CD2 4.14Å; I31-L193 HydrophobicContact CD1-CG 3.8Å; K190-L193 PolarHBondContact O-N 3.5Å; L193-N195 PolarHBondContact O-N 3.23Å |
| 194 | P | 66.1 | Low | 68.7 | Low | 120 Ų | 120 | 77.8 Ų | 77.8 | 78% | 0.779 | 39% | 0.392 | S | S | * | . | trans | -57.2 | 129.9 | 173 | 20.5 | -28.7 | 0 | 0 | 0 | 109 | ||||
| 195 | N | 59 | Low | 68.8 | Low | 239 Ų | 239 | 82.2 Ų | 82.2 | 100% | 1.278 | 42% | 0.416 | S | S | * | . | trans | -57.6 | 0 | 174.6 | -79.4 | -31 | 0 | 0 | 0 | 112 | L193 | L193-N195 PolarHBondContact O-N 3.23Š|
Retrieved 195 of 195 residues in 136.2 ms
(Link to these results)