| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 84.2 | Confident | 91.6 | Very high | 84 Ų | 84 | 30.1 Ų | 30.1 | 41% | 0.414 | 14% | 0.139 | S | C | . | . | 0 | -48.3 | 0 | -163.9 | 155.9 | 54.9 | 0 | 0 | 112.4 | L3 S4 L5 P35 I36 Q39 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.47Å; M1-S4 WeakPolarHBondContact O-CB 3.32Å; M1-S4 PolarHBondContact O-N 3.37Å; M1-L5 PolarHBondContact O-N 3.06Å; M1-L5 VanDerWaalsContact O-N 3.11Å; M1-P35 HydrophobicContact CE-CB 4.22Å; M1-P35 WeakPolarHBondContact CE-O 3.33Å; M1-P35 HydrophobicContact SD-CB 4.05Å; M1-I36 HydrophobicContact CB-CG1 4.18Å; M1-I36 VanDerWaalsContact CE-CA 3.41Å; M1-I36 HydrophobicContact CE-CB 4Å; M1-I36 HydrophobicContact CE-CG1 3.47Å; M1-I36 VanDerWaalsContact CE-CG1 3.47Å; M1-I36 HydrophobicContact CG-CD1 4.33Å; M1-I36 HydrophobicContact CG-CG1 3.73Å; M1-I36 HydrophobicContact SD-CG1 4.18Å; M1-Q39 HydrophobicContact CE-CB 4.48Å; M1-Q39 HydrophobicContact CE-CG 4.03Å | |||
| 2 | V | 87.9 | Confident | 91.9 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -53.6 | -43.1 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 113 | S4 L5 Q6 I36 Y132 I147 V149 F150 | V2-S4 VanDerWaalsContact C-N 3.34Å; V2-S4 PolarHBondContact O-N 2.9Å; V2-L5 WeakPolarHBondContact O-CB 3.28Å; V2-L5 PolarHBondContact O-N 2.89Å; V2-L5 VanDerWaalsContact O-N 3.14Å; V2-Q6 PolarHBondContact O-N 2.73Å; V2-I36 HydrophobicContact CG2-CD1 4.16Å; V2-I36 HydrophobicContact CG2-CG2 4.25Å; V2-Y132 HydrophobicContact CG1-CE1 4.41Å; V2-I147 HydrophobicContact CB-CG2 4.49Å; V2-I147 HydrophobicContact CG2-CG2 4.32Å; V2-V149 HydrophobicContact CB-CG2 4.5Å; V2-V149 HydrophobicContact CG1-CB 4.19Å; V2-V149 HydrophobicContact CG1-CG1 3.89Å; V2-V149 HydrophobicContact CG1-CG2 4.45Å; V2-F150 HydrophobicContact CG1-CE1 4.24Å; V2-F150 HydrophobicContact CG1-CE2 4.24Å; V2-F150 HydrophobicContact CG1-CZ 3.75Å; V2-F150 HydrophobicContact CG2-CE2 4.49Å |
| 3 | L | 90.1 | Very high | 92 | Very high | 35 Ų | 35 | 29.7 Ų | 29.7 | 18% | 0.183 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 176.6 | -176.6 | 61.6 | 0 | 0 | 0 | 112.1 | M1 L5 Q6 L7 V149 E164 K167 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.47Å; L3-L5 VanDerWaalsContact C-N 3.3Å; L3-L5 PolarHBondContact O-N 2.95Å; L3-Q6 PolarHBondContact O-N 3.01Å; L3-L7 HydrophobicContact CD1-CG 4.39Å; L3-L7 HydrophobicContact CG-CD1 4.24Å; L3-L7 HydrophobicContact CG-CG 4.49Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.42Å; L3-L7 PolarHBondContact O-N 2.9Å; L3-V149 HydrophobicContact CB-CG2 3.7Å; L3-V149 HydrophobicContact CD1-CG2 4.02Å; L3-V149 HydrophobicContact CG-CG2 4.44Å; L3-E164 HydrophobicContact CD1-CG 3.98Å; L3-K167 HydrophobicContact CD2-CB 3.93Å; L3-K167 HydrophobicContact CD2-CG 4.09Å; L3-K167 HydrophobicContact CG-CB 4.45Å; L3-K167 HydrophobicContact CG-CG 4.26Å |
| 4 | S | 92.2 | Very high | 91.8 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 175.7 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | M1 V2 L7 L8 K167 | M1-S4 WeakPolarHBondContact O-CB 3.32Å; M1-S4 PolarHBondContact O-N 3.37Å; V2-S4 VanDerWaalsContact C-N 3.34Å; V2-S4 PolarHBondContact O-N 2.9Å; S4-L7 PolarHBondContact O-N 3.03Å; S4-L8 WeakPolarHBondContact O-CB 3.39Å; S4-L8 VanDerWaalsContact O-CG 3.24Å; S4-L8 WeakPolarHBondContact O-CG 3.4Å; S4-L8 PolarHBondContact O-N 3.44Å; S4-K167 WeakPolarHBondContact OG-CE 3.39Å |
| 5 | L | 92.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 178.8 | 178.9 | 62 | 0 | 0 | 0 | 111.1 | M1 V2 L3 L7 L8 E9 L28 I36 L128 F131 Y132 | M1-L5 PolarHBondContact O-N 3.06Å; M1-L5 VanDerWaalsContact O-N 3.11Å; V2-L5 WeakPolarHBondContact O-CB 3.28Å; V2-L5 PolarHBondContact O-N 2.89Å; V2-L5 VanDerWaalsContact O-N 3.14Å; L3-L5 VanDerWaalsContact C-N 3.3Å; L3-L5 PolarHBondContact O-N 2.95Å; L5-L7 PolarHBondContact O-N 2.93Å; L5-L8 PolarHBondContact O-N 3.3Å; L5-E9 WeakPolarHBondContact O-CB 3.44Å; L5-E9 PolarHBondContact O-N 3.1Å; L5-L28 HydrophobicContact CD1-CD1 3.59Å; L5-L28 HydrophobicContact CD1-CD2 3.84Å; L5-L28 HydrophobicContact CD1-CG 3.43Å; L5-L28 VanDerWaalsContact CD1-CG 3.43Å; L5-I36 HydrophobicContact CB-CD1 4.2Å; L5-I36 HydrophobicContact CD2-CD1 3.46Å; L5-I36 VanDerWaalsContact CD2-CD1 3.46Å; L5-I36 HydrophobicContact CG-CD1 4.43Å; L5-L128 HydrophobicContact CD1-CD1 3.76Å; L5-L128 HydrophobicContact CD2-CD1 4.48Å; L5-L128 HydrophobicContact CG-CD1 4.11Å; L5-F131 HydrophobicContact CD2-CD1 4.32Å; L5-F131 HydrophobicContact CD2-CE1 3.93Å; L5-Y132 HydrophobicContact CD2-CE1 3.7Å; L5-Y132 HydrophobicContact CG-CE1 4.06Å; L5-Y132 WeakPolarHBondContact CG-OH 3.49Å |
| 6 | Q | 91.8 | Very high | 91.8 | Very high | 42 Ų | 42 | 34.4 Ų | 34.4 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.5 | -73.5 | -175 | -22 | 0 | 0 | 113.5 | V2 L3 E9 R10 Y132 V149 | V2-Q6 PolarHBondContact O-N 2.73Å; L3-Q6 PolarHBondContact O-N 3.01Å; Q6-E9 PolarHBondContact O-N 3.06Å; Q6-R10 WeakPolarHBondContact O-CB 3.44Å; Q6-R10 PolarHBondContact O-N 3.38Å; Q6-Y132 WeakPolarHBondContact CA-OH 3.46Å; Q6-Y132 HydrophobicContact CG-CE1 3.89Å; Q6-Y132 HydrophobicContact CG-CE2 4.15Å; Q6-Y132 WeakPolarHBondContact CG-OH 3.39Å; Q6-Y132 PolarHBondContact N-OH 3.3Å; Q6-V149 HydrophobicContact CG-CG1 4.44Å |
| 7 | L | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.9 | -68.2 | -179.8 | 0 | 0 | 0 | 111.8 | L3 S4 L5 R10 G11 E164 K167 A168 W214 P215 | L3-L7 HydrophobicContact CD1-CG 4.39Å; L3-L7 HydrophobicContact CG-CD1 4.24Å; L3-L7 HydrophobicContact CG-CG 4.49Å; L3-L7 VanDerWaalsContact O-CG 3.3Å; L3-L7 WeakPolarHBondContact O-CG 3.42Å; L3-L7 PolarHBondContact O-N 2.9Å; S4-L7 PolarHBondContact O-N 3.03Å; L5-L7 PolarHBondContact O-N 2.93Å; L7-R10 PolarHBondContact O-N 3.48Å; L7-G11 PolarHBondContact O-N 3.48Å; L7-E164 WeakPolarHBondContact CD1-O 3.26Å; L7-E164 HydrophobicContact CD2-CB 4.07Å; L7-E164 HydrophobicContact CD2-CG 4.03Å; L7-K167 HydrophobicContact CD1-CB 3.76Å; L7-K167 HydrophobicContact CD1-CG 3.85Å; L7-A168 HydrophobicContact CD1-CB 4.37Å; L7-W214 HydrophobicContact CD2-CE3 3.69Å; L7-W214 HydrophobicContact CD2-CH2 4.46Å; L7-W214 HydrophobicContact CD2-CZ3 3.49Å; L7-W214 VanDerWaalsContact CD2-CZ3 3.49Å; L7-P215 HydrophobicContact CB-CG 3.82Å |
| 8 | L | 95.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 175.3 | -72.3 | 167.7 | 0 | 0 | 0 | 111.8 | S4 L5 R10 G11 I12 L28 Y32 P215 T217 | S4-L8 WeakPolarHBondContact O-CB 3.39Å; S4-L8 VanDerWaalsContact O-CG 3.24Å; S4-L8 WeakPolarHBondContact O-CG 3.4Å; S4-L8 PolarHBondContact O-N 3.44Å; L5-L8 PolarHBondContact O-N 3.3Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.29Å; L8-G11 PolarHBondContact O-N 3.14Å; L8-I12 WeakPolarHBondContact O-CG1 3.15Å; L8-I12 PolarHBondContact O-N 3.14Å; L8-L28 HydrophobicContact CB-CD1 3.57Å; L8-L28 HydrophobicContact CB-CD2 4.06Å; L8-L28 HydrophobicContact CB-CG 4.49Å; L8-L28 HydrophobicContact CD1-CD1 3.68Å; L8-L28 HydrophobicContact CG-CD1 4.26Å; L8-Y32 HydrophobicContact CD1-CD1 3.72Å; L8-Y32 HydrophobicContact CD1-CD2 4.33Å; L8-Y32 HydrophobicContact CD1-CE1 3.49Å; L8-Y32 VanDerWaalsContact CD1-CE1 3.49Å; L8-Y32 HydrophobicContact CD1-CE2 4.15Å; L8-Y32 HydrophobicContact CD1-CG 4.13Å; L8-P215 WeakPolarHBondContact CA-O 3.28Å; L8-P215 HydrophobicContact CD2-CB 3.94Å; L8-P215 HydrophobicContact CD2-CG 4.31Å; L8-T217 HydrophobicContact CB-CG2 4.46Å; L8-T217 HydrophobicContact CD1-CG2 4.09Å; L8-T217 HydrophobicContact CD2-CG2 3.96Å; L8-T217 HydrophobicContact CG-CG2 4.41Å |
| 9 | E | 93.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 173.5 | 178.8 | -177.3 | -166.1 | 0 | 0 | 111.1 | L5 Q6 G11 I12 S13 L25 L28 L128 Y132 | L5-E9 WeakPolarHBondContact O-CB 3.44Å; L5-E9 PolarHBondContact O-N 3.1Å; Q6-E9 PolarHBondContact O-N 3.06Å; E9-G11 VanDerWaalsContact C-N 3.28Å; E9-G11 PolarHBondContact O-N 3.12Å; E9-I12 PolarHBondContact O-N 3.31Å; E9-I12 VanDerWaalsContact O-N 3.16Å; E9-S13 WeakPolarHBondContact O-CB 3.18Å; E9-S13 PolarHBondContact O-N 3.41Å; E9-S13 PolarHBondContact O-OG 2.91Å; E9-S13 VanDerWaalsContact O-OG 3.05Å; E9-L25 HydrophobicContact CG-CD2 4.04Å; E9-L28 HydrophobicContact CB-CD2 3.77Å; E9-L128 HydrophobicContact CB-CD1 4.26Å; E9-L128 HydrophobicContact CG-CD1 4.34Å; E9-L128 HydrophobicContact CG-CG 4.37Å; E9-L128 WeakPolarHBondContact OE1-CB 3.34Å; E9-L128 PolarHBondContact OE1-N 3.16Å; E9-Y132 WeakPolarHBondContact OE2-CE2 3.45Å; E9-Y132 VanDerWaalsContact OE2-CZ 3.24Å; E9-Y132 PolarHBondContact OE2-OH 3.36Å |
| 10 | R | 92.6 | Very high | 91.8 | Very high | 119 Ų | 119 | 41.3 Ų | 41.3 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 177.1 | -174.2 | 175.9 | -178.6 | 173 | -0.8 | 112.3 | Q6 L7 L8 S14 E164 W214 | Q6-R10 WeakPolarHBondContact O-CB 3.44Å; Q6-R10 PolarHBondContact O-N 3.38Å; L7-R10 PolarHBondContact O-N 3.48Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.29Å; R10-S14 PolarHBondContact O-N 3.37Å; R10-S14 PolarHBondContact O-OG 3.36Å; R10-E164 IonicContact NH1-OE2 2.63Å; R10-W214 HydrophobicContact CG-CD2 4.39Å; R10-W214 HydrophobicContact CG-CG 4.07Å; R10-W214 VanDerWaalsContact NE-CE2 3.32Å |
| 11 | G | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L7 L8 E9 S14 N212 | L7-G11 PolarHBondContact O-N 3.48Å; L8-G11 PolarHBondContact O-N 3.14Å; E9-G11 VanDerWaalsContact C-N 3.28Å; E9-G11 PolarHBondContact O-N 3.12Å; G11-S14 WeakPolarHBondContact O-CB 3.45Å; G11-S14 PolarHBondContact O-N 3.48Å; G11-N212 PolarHBondContact O-ND2 2.9Å |
| 12 | I | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 178.1 | -71.7 | 164.2 | 0 | 0 | 0 | 111.4 | L8 E9 S14 I15 R21 L24 L25 L28 V216 T217 | L8-I12 WeakPolarHBondContact O-CG1 3.15Å; L8-I12 PolarHBondContact O-N 3.14Å; E9-I12 PolarHBondContact O-N 3.31Å; E9-I12 VanDerWaalsContact O-N 3.16Å; I12-S14 PolarHBondContact O-N 3.22Å; I12-S14 VanDerWaalsContact O-N 3.14Å; I12-I15 VanDerWaalsContact O-CB 3.28Å; I12-I15 WeakPolarHBondContact O-CB 3.18Å; I12-I15 PolarHBondContact O-N 3.01Å; I12-R21 HydrophobicContact CG2-CG 3.91Å; I12-L24 HydrophobicContact CB-CB 4.48Å; I12-L24 HydrophobicContact CD1-CB 3.87Å; I12-L24 HydrophobicContact CG1-CB 3.96Å; I12-L24 HydrophobicContact CG1-CD1 4.41Å; I12-L24 HydrophobicContact CG2-CB 3.67Å; I12-L24 HydrophobicContact CG2-CD1 4.4Å; I12-L25 HydrophobicContact CB-CD2 4.33Å; I12-L25 HydrophobicContact CG2-CD2 3.75Å; I12-L25 HydrophobicContact CG2-CG 3.79Å; I12-L28 HydrophobicContact CD1-CB 4.05Å; I12-L28 HydrophobicContact CD1-CD2 3.94Å; I12-L28 HydrophobicContact CD1-CG 4.46Å; I12-V216 HydrophobicContact CG1-CG1 4.13Å; I12-T217 HydrophobicContact CD1-CG2 4.35Å |
| 13 | S | 92.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 42 Ų | 42 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.9 | -16.1 | 177.8 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | E9 I15 | E9-S13 WeakPolarHBondContact O-CB 3.18Å; E9-S13 PolarHBondContact O-N 3.41Å; E9-S13 PolarHBondContact O-OG 2.91Å; E9-S13 VanDerWaalsContact O-OG 3.05Å; S13-I15 VanDerWaalsContact C-N 3.29Å |
| 14 | S | 90.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.4 | 173.8 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | R10 G11 I12 | R10-S14 PolarHBondContact O-N 3.37Å; R10-S14 PolarHBondContact O-OG 3.36Å; G11-S14 WeakPolarHBondContact O-CB 3.45Å; G11-S14 PolarHBondContact O-N 3.48Å; I12-S14 PolarHBondContact O-N 3.22Å; I12-S14 VanDerWaalsContact O-N 3.14Å |
| 15 | I | 92.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | trans | -80.5 | 122.9 | 176.1 | -61.8 | 171 | 0 | 0 | 0 | 108.8 | I12 S13 H17 L20 L24 V216 L226 W229 | I12-I15 VanDerWaalsContact O-CB 3.28Å; I12-I15 WeakPolarHBondContact O-CB 3.18Å; I12-I15 PolarHBondContact O-N 3.01Å; S13-I15 VanDerWaalsContact C-N 3.29Å; I15-H17 VanDerWaalsContact C-N 3.26Å; I15-H17 HydrophobicContact CG2-CB 4.14Å; I15-H17 PolarHBondContact O-N 3.29Å; I15-L20 HydrophobicContact CG2-CD2 4.09Å; I15-L20 HydrophobicContact CG2-CG 4.42Å; I15-L24 HydrophobicContact CD1-CD1 3.4Å; I15-L24 VanDerWaalsContact CD1-CD1 3.4Å; I15-V216 HydrophobicContact CD1-CG1 4.32Å; I15-L226 HydrophobicContact CD1-CD2 3.91Å; I15-W229 HydrophobicContact CG1-CD2 4.23Å; I15-W229 HydrophobicContact CG1-CE3 4.49Å; I15-W229 HydrophobicContact CG1-CH2 4.2Å; I15-W229 HydrophobicContact CG1-CZ2 3.87Å; I15-W229 HydrophobicContact CG1-CZ3 4.46Å; I15-W229 HydrophobicContact CG2-CD2 4.2Å; I15-W229 HydrophobicContact CG2-CG 4.09Å | ||
| 16 | N | 90.9 | Very high | 92.7 | Very high | 108 Ų | 108 | 41.9 Ų | 41.9 | 58% | 0.578 | 22% | 0.217 | S | C | * | . | trans | -85.3 | 11.9 | -175.5 | 62.8 | -30 | 0 | 0 | 0 | 114.2 | W229 | N16-W229 PolarHBondContact OD1-NE1 2.98Š| ||
| 17 | H | 91.2 | Very high | 92.7 | Very high | 65 Ų | 65 | 41.3 Ų | 41.3 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | trans | -104.4 | 104.8 | 173.9 | -80 | -118.4 | 0 | 0 | 0 | 109.8 | I15 T19 L20 R21 W229 E232 | I15-H17 VanDerWaalsContact C-N 3.26Å; I15-H17 HydrophobicContact CG2-CB 4.14Å; I15-H17 PolarHBondContact O-N 3.29Å; H17-T19 PolarHBondContact O-N 3.08Å; H17-L20 HydrophobicContact CB-CB 3.82Å; H17-L20 HydrophobicContact CB-CD2 4.41Å; H17-L20 PolarHBondContact O-N 3.08Å; H17-R21 VanDerWaalsContact O-CB 3.28Å; H17-R21 WeakPolarHBondContact O-CB 3.43Å; H17-R21 PolarHBondContact O-N 2.85Å; H17-W229 AromaticContact CD2-CD1 3.61Å; H17-E232 IonicContact CD2-OE2 3.34Å; H17-E232 IonicContact CE1-OE2 3.61Å; H17-E232 IonicContact NE2-OE2 2.88Å; H17-E232 PolarHBondContact NE2-OE2 3.01Å | ||
| 18 | D | 91.1 | Very high | 92.7 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 52% | 0.524 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59 | -45.5 | -171.7 | -71.7 | -22.8 | 0 | 0 | 0 | 113.4 | R21 N22 | D18-R21 PolarHBondContact O-N 2.97Å; D18-R21 IonicContact OD1-CZ 2.68Å; D18-R21 IonicContact OD1-NH1 2.72Å; D18-R21 PolarHBondContact OD1-NH1 2.74Å; D18-R21 IonicContact OD1-NH2 3.53Å; D18-R21 PolarHBondContact OD1-NH2 2.97Å; D18-N22 WeakPolarHBondContact O-CB 3.29Å; D18-N22 PolarHBondContact O-N 3.33Å; D18-N22 PolarHBondContact O-OD1 2.87Å |
| 19 | T | 91.4 | Very high | 92.5 | Very high | 104 Ų | 104 | 41 Ų | 41 | 64% | 0.638 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63.2 | -47 | 179.3 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | H17 N22 Q23 | H17-T19 PolarHBondContact O-N 3.08Å; T19-N22 PolarHBondContact O-N 3Å; T19-Q23 WeakPolarHBondContact O-CG 3.28Å; T19-Q23 PolarHBondContact O-N 2.85Å; T19-Q23 VanDerWaalsContact O-N 3.08Å |
| 20 | L | 93.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 178.3 | 177.9 | 57.8 | 0 | 0 | 0 | 110.6 | I15 H17 N22 Q23 L24 C222 E225 L226 W229 | I15-L20 HydrophobicContact CG2-CD2 4.09Å; I15-L20 HydrophobicContact CG2-CG 4.42Å; H17-L20 HydrophobicContact CB-CB 3.82Å; H17-L20 HydrophobicContact CB-CD2 4.41Å; H17-L20 PolarHBondContact O-N 3.08Å; L20-N22 VanDerWaalsContact C-N 3.32Å; L20-N22 PolarHBondContact O-N 2.89Å; L20-Q23 PolarHBondContact O-N 3.47Å; L20-Q23 VanDerWaalsContact O-N 3.15Å; L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CD2 4.46Å; L20-L24 HydrophobicContact CD1-CG 4.07Å; L20-L24 HydrophobicContact CG-CD1 3.91Å; L20-L24 HydrophobicContact CG-CG 4.38Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.22Å; L20-C222 HydrophobicContact CD1-CB 3.89Å; L20-E225 HydrophobicContact CD1-CB 4.11Å; L20-E225 HydrophobicContact CD2-CB 4.21Å; L20-L226 HydrophobicContact CD1-CG 4.28Å; L20-L226 HydrophobicContact CD2-CD2 3.95Å; L20-L226 HydrophobicContact CD2-CG 4.1Å; L20-W229 HydrophobicContact CD2-CB 4.31Å |
| 21 | R | 93.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.8 | -48.6 | 176.3 | -175.8 | 179.9 | 66.9 | -134.6 | -3.1 | 111.2 | I12 H17 D18 Q23 L24 L25 | I12-R21 HydrophobicContact CG2-CG 3.91Å; H17-R21 VanDerWaalsContact O-CB 3.28Å; H17-R21 WeakPolarHBondContact O-CB 3.43Å; H17-R21 PolarHBondContact O-N 2.85Å; D18-R21 PolarHBondContact O-N 2.97Å; D18-R21 IonicContact OD1-CZ 2.68Å; D18-R21 IonicContact OD1-NH1 2.72Å; D18-R21 PolarHBondContact OD1-NH1 2.74Å; D18-R21 IonicContact OD1-NH2 3.53Å; D18-R21 PolarHBondContact OD1-NH2 2.97Å; R21-Q23 PolarHBondContact O-N 3.47Å; R21-L24 PolarHBondContact O-N 3.41Å; R21-L25 HydrophobicContact CG-CD1 4.22Å; R21-L25 HydrophobicContact CG-CG 4.47Å; R21-L25 WeakPolarHBondContact O-CG 3.34Å; R21-L25 PolarHBondContact O-N 3.31Å |
| 22 | N | 91.8 | Very high | 91.9 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 179.6 | -67.6 | -0.8 | 0 | 0 | 0 | 111.9 | D18 T19 L20 L24 L25 I26 L125 | D18-N22 WeakPolarHBondContact O-CB 3.29Å; D18-N22 PolarHBondContact O-N 3.33Å; D18-N22 PolarHBondContact O-OD1 2.87Å; T19-N22 PolarHBondContact O-N 3Å; L20-N22 VanDerWaalsContact C-N 3.32Å; L20-N22 PolarHBondContact O-N 2.89Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-L24 PolarHBondContact O-N 2.96Å; N22-L25 PolarHBondContact O-N 3.29Å; N22-I26 VanDerWaalsContact O-CG1 3.32Å; N22-I26 WeakPolarHBondContact O-CG1 3.43Å; N22-I26 PolarHBondContact O-N 3.33Å; N22-L125 PolarHBondContact OD1-O 3.15Å |
| 23 | Q | 92.7 | Very high | 91.7 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 176.1 | -69.4 | -178.3 | 17.7 | 0 | 0 | 112.3 | T19 L20 R21 I26 H27 C222 | T19-Q23 WeakPolarHBondContact O-CG 3.28Å; T19-Q23 PolarHBondContact O-N 2.85Å; T19-Q23 VanDerWaalsContact O-N 3.08Å; L20-Q23 PolarHBondContact O-N 3.47Å; L20-Q23 VanDerWaalsContact O-N 3.15Å; R21-Q23 PolarHBondContact O-N 3.47Å; Q23-I26 PolarHBondContact O-N 2.88Å; Q23-H27 WeakPolarHBondContact O-CB 3.47Å; Q23-H27 PolarHBondContact O-N 2.74Å; Q23-C222 PolarHBondContact OE1-SG 3.11Å |
| 24 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 177.7 | -64.4 | 173.4 | 0 | 0 | 0 | 111.8 | I12 I15 L20 R21 N22 H27 L28 A218 C222 L226 | I12-L24 HydrophobicContact CB-CB 4.48Å; I12-L24 HydrophobicContact CD1-CB 3.87Å; I12-L24 HydrophobicContact CG1-CB 3.96Å; I12-L24 HydrophobicContact CG1-CD1 4.41Å; I12-L24 HydrophobicContact CG2-CB 3.67Å; I12-L24 HydrophobicContact CG2-CD1 4.4Å; I15-L24 HydrophobicContact CD1-CD1 3.4Å; I15-L24 VanDerWaalsContact CD1-CD1 3.4Å; L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CD2 4.46Å; L20-L24 HydrophobicContact CD1-CG 4.07Å; L20-L24 HydrophobicContact CG-CD1 3.91Å; L20-L24 HydrophobicContact CG-CG 4.38Å; L20-L24 VanDerWaalsContact O-CG 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.22Å; R21-L24 PolarHBondContact O-N 3.41Å; N22-L24 VanDerWaalsContact C-N 3.34Å; N22-L24 PolarHBondContact O-N 2.96Å; L24-H27 WeakPolarHBondContact O-CB 3.29Å; L24-H27 PolarHBondContact O-N 2.88Å; L24-L28 VanDerWaalsContact O-CB 3.3Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 PolarHBondContact O-N 3.4Å; L24-A218 HydrophobicContact CD2-CB 3.52Å; L24-C222 HydrophobicContact CD2-CB 4.16Å; L24-L226 HydrophobicContact CD1-CD2 4.04Å; L24-L226 HydrophobicContact CD2-CD1 4.24Å |
| 25 | L | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.4 | -71.4 | 176 | 0 | 0 | 0 | 112 | E9 I12 R21 N22 H27 L28 L29 L125 | E9-L25 HydrophobicContact CG-CD2 4.04Å; I12-L25 HydrophobicContact CB-CD2 4.33Å; I12-L25 HydrophobicContact CG2-CD2 3.75Å; I12-L25 HydrophobicContact CG2-CG 3.79Å; R21-L25 HydrophobicContact CG-CD1 4.22Å; R21-L25 HydrophobicContact CG-CG 4.47Å; R21-L25 WeakPolarHBondContact O-CG 3.34Å; R21-L25 PolarHBondContact O-N 3.31Å; N22-L25 PolarHBondContact O-N 3.29Å; L25-H27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 3.36Å; L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 3.29Å; L25-L125 HydrophobicContact CB-CB 4.06Å; L25-L125 HydrophobicContact CD1-CB 4.28Å |
| 26 | I | 91.2 | Very high | 91.3 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -43 | 174.4 | -67.6 | 165 | 0 | 0 | 0 | 110.6 | N22 Q23 L29 K30 L125 | N22-I26 VanDerWaalsContact O-CG1 3.32Å; N22-I26 WeakPolarHBondContact O-CG1 3.43Å; N22-I26 PolarHBondContact O-N 3.33Å; Q23-I26 PolarHBondContact O-N 2.88Å; I26-L29 PolarHBondContact O-N 3.48Å; I26-K30 HydrophobicContact CG2-CD 4.18Å; I26-K30 WeakPolarHBondContact O-CG 3.2Å; I26-K30 PolarHBondContact O-N 3.01Å; I26-L125 HydrophobicContact CG1-CD1 3.98Å |
| 27 | H | 92 | Very high | 91.3 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.4 | 172.1 | 83.2 | 0 | 0 | 0 | 111.5 | Q23 L24 L25 K30 N31 P219 | Q23-H27 WeakPolarHBondContact O-CB 3.47Å; Q23-H27 PolarHBondContact O-N 2.74Å; L24-H27 WeakPolarHBondContact O-CB 3.29Å; L24-H27 PolarHBondContact O-N 2.88Å; L25-H27 VanDerWaalsContact C-N 3.34Å; H27-K30 PolarHBondContact O-N 2.81Å; H27-N31 PolarHBondContact CE1-ND2 2.98Å; H27-N31 PolarHBondContact ND1-ND2 3.46Å; H27-N31 WeakPolarHBondContact O-CB 3.42Å; H27-N31 PolarHBondContact O-N 3.49Å; H27-N31 PolarHBondContact O-ND2 2.79Å; H27-P219 HydrophobicContact CB-CG 4.16Å |
| 28 | L | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 178.5 | 178.9 | 63.9 | 0 | 0 | 0 | 111.2 | L5 L8 E9 I12 L24 L25 K30 N31 Y32 G33 L128 T217 | L5-L28 HydrophobicContact CD1-CD1 3.59Å; L5-L28 HydrophobicContact CD1-CD2 3.84Å; L5-L28 HydrophobicContact CD1-CG 3.43Å; L5-L28 VanDerWaalsContact CD1-CG 3.43Å; L8-L28 HydrophobicContact CB-CD1 3.57Å; L8-L28 HydrophobicContact CB-CD2 4.06Å; L8-L28 HydrophobicContact CB-CG 4.49Å; L8-L28 HydrophobicContact CD1-CD1 3.68Å; L8-L28 HydrophobicContact CG-CD1 4.26Å; E9-L28 HydrophobicContact CB-CD2 3.77Å; I12-L28 HydrophobicContact CD1-CB 4.05Å; I12-L28 HydrophobicContact CD1-CD2 3.94Å; I12-L28 HydrophobicContact CD1-CG 4.46Å; L24-L28 VanDerWaalsContact O-CB 3.3Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 PolarHBondContact O-N 3.4Å; L25-L28 PolarHBondContact O-N 3.36Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.38Å; L28-N31 PolarHBondContact O-N 2.89Å; L28-Y32 HydrophobicContact CD1-CD2 3.6Å; L28-Y32 HydrophobicContact CD1-CE2 4.23Å; L28-Y32 HydrophobicContact CD1-CG 3.86Å; L28-Y32 WeakPolarHBondContact O-CA 3.16Å; L28-Y32 WeakPolarHBondContact O-CB 3.34Å; L28-Y32 PolarHBondContact O-N 3.42Å; L28-G33 PolarHBondContact O-N 2.89Å; L28-L128 HydrophobicContact CD2-CD1 3.69Å; L28-L128 HydrophobicContact CG-CD1 4.14Å; L28-T217 HydrophobicContact CD1-CG2 3.81Å |
| 29 | L | 91.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -59.1 | -43.3 | 177.4 | -178.1 | 57.4 | 0 | 0 | 0 | 111.6 | L25 I26 G33 M34 F118 L125 L128 F131 | L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 3.29Å; I26-L29 PolarHBondContact O-N 3.48Å; L29-G33 CarbonylContact O-C 3.52Å; L29-G33 WeakPolarHBondContact O-CA 3.22Å; L29-G33 PolarHBondContact O-N 3.4Å; L29-M34 PolarHBondContact O-N 2.8Å; L29-F118 HydrophobicContact CD1-CD2 3.64Å; L29-F118 HydrophobicContact CD1-CE2 3.97Å; L29-F118 HydrophobicContact CD2-CD2 3.83Å; L29-F118 HydrophobicContact CD2-CE2 4.07Å; L29-F118 HydrophobicContact CG-CD2 3.54Å; L29-F118 HydrophobicContact CG-CE2 3.5Å; L29-L125 HydrophobicContact CB-CD1 4.38Å; L29-L125 HydrophobicContact CD2-CD1 3.71Å; L29-L128 HydrophobicContact CB-CD2 3.96Å; L29-L128 HydrophobicContact CD1-CD2 4.17Å; L29-L128 HydrophobicContact CD2-CD2 4.46Å; L29-L128 HydrophobicContact CG-CD2 4.39Å; L29-F131 HydrophobicContact CD1-CB 4.28Å; L29-F131 HydrophobicContact CD1-CD1 3.9Å; L29-F131 HydrophobicContact CD1-CD2 3.64Å; L29-F131 HydrophobicContact CD1-CE1 4.09Å; L29-F131 HydrophobicContact CD1-CE2 3.84Å; L29-F131 HydrophobicContact CD1-CG 3.66Å; L29-F131 HydrophobicContact CD1-CZ 4.06Å |
| 30 | K | 88.7 | Confident | 91 | Very high | 97 Ų | 97 | 32.5 Ų | 32.5 | 42% | 0.422 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -69.3 | -43.4 | 179.3 | -73 | -179.5 | 178 | -173.9 | 0 | 113.5 | I26 H27 L28 F118 | I26-K30 HydrophobicContact CG2-CD 4.18Å; I26-K30 WeakPolarHBondContact O-CG 3.2Å; I26-K30 PolarHBondContact O-N 3.01Å; H27-K30 PolarHBondContact O-N 2.81Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.38Å; K30-F118 HydrophobicContact CG-CZ 4.09Å |
| 31 | N | 89.6 | Confident | 90.9 | Very high | 87 Ų | 87 | 32.1 Ų | 32.1 | 47% | 0.465 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -94 | -17 | -170.4 | -67.7 | -84.7 | 0 | 0 | 0 | 114 | H27 L28 P35 | H27-N31 PolarHBondContact CE1-ND2 2.98Å; H27-N31 PolarHBondContact ND1-ND2 3.46Å; H27-N31 WeakPolarHBondContact O-CB 3.42Å; H27-N31 PolarHBondContact O-N 3.49Å; H27-N31 PolarHBondContact O-ND2 2.79Å; L28-N31 PolarHBondContact O-N 2.89Å; N31-P35 WeakPolarHBondContact O-CG 3.18Å |
| 32 | Y | 90.5 | Very high | 90.7 | Very high | 72 Ų | 72 | 31.4 Ų | 31.4 | 28% | 0.282 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -126.4 | -35 | -179.5 | -63.9 | -100.8 | 0 | 0 | 0 | 112.2 | L8 L28 I36 T217 | L8-Y32 HydrophobicContact CD1-CD1 3.72Å; L8-Y32 HydrophobicContact CD1-CD2 4.33Å; L8-Y32 HydrophobicContact CD1-CE1 3.49Å; L8-Y32 VanDerWaalsContact CD1-CE1 3.49Å; L8-Y32 HydrophobicContact CD1-CE2 4.15Å; L8-Y32 HydrophobicContact CD1-CG 4.13Å; L28-Y32 HydrophobicContact CD1-CD2 3.6Å; L28-Y32 HydrophobicContact CD1-CE2 4.23Å; L28-Y32 HydrophobicContact CD1-CG 3.86Å; L28-Y32 WeakPolarHBondContact O-CA 3.16Å; L28-Y32 WeakPolarHBondContact O-CB 3.34Å; L28-Y32 PolarHBondContact O-N 3.42Å; Y32-I36 WeakPolarHBondContact O-CG1 3.41Å; Y32-T217 HydrophobicContact CD2-CG2 4.3Å; Y32-T217 HydrophobicContact CE2-CG2 3.62Å; Y32-T217 PolarHBondContact OH-OG1 3.16Å |
| 33 | G | 89.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -66.7 | -53.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L28 L29 I36 V37 | L28-G33 PolarHBondContact O-N 2.89Å; L29-G33 CarbonylContact O-C 3.52Å; L29-G33 WeakPolarHBondContact O-CA 3.22Å; L29-G33 PolarHBondContact O-N 3.4Å; G33-I36 WeakPolarHBondContact O-CB 3.33Å; G33-I36 PolarHBondContact O-N 3.39Å; G33-V37 PolarHBondContact O-N 3.37Å |
| 34 | M | 88.1 | Confident | 90.4 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.2 | -39.7 | -179.9 | -73.4 | -54.8 | -64.6 | 0 | 0 | 114.3 | L29 I36 V37 R38 Y89 F118 | L29-M34 PolarHBondContact O-N 2.8Å; M34-I36 PolarHBondContact O-N 2.99Å; M34-V37 WeakPolarHBondContact O-CB 3.48Å; M34-V37 PolarHBondContact O-N 3.36Å; M34-V37 VanDerWaalsContact O-N 3.11Å; M34-V37 HydrophobicContact SD-CG2 4.31Å; M34-R38 WeakPolarHBondContact O-CB 3.22Å; M34-R38 PolarHBondContact O-N 2.72Å; M34-Y89 HydrophobicContact CE-CD2 4.45Å; M34-Y89 HydrophobicContact CE-CE1 4.46Å; M34-Y89 HydrophobicContact CE-CE2 3.7Å; M34-F118 HydrophobicContact CG-CD2 4.03Å; M34-F118 HydrophobicContact CG-CE1 4.02Å; M34-F118 HydrophobicContact CG-CE2 3.25Å; M34-F118 HydrophobicContact CG-CZ 3.26Å; M34-F118 HydrophobicContact SD-CD1 3.85Å; M34-F118 HydrophobicContact SD-CD2 3.5Å; M34-F118 WeakPolarHBondContact SD-CD2 3.12Å; M34-F118 HydrophobicContact SD-CE1 3.67Å; M34-F118 HydrophobicContact SD-CE2 3.34Å; M34-F118 WeakPolarHBondContact SD-CE2 3.38Å; M34-F118 HydrophobicContact SD-CG 3.77Å; M34-F118 HydrophobicContact SD-CZ 3.45Å; M34-F118 WeakPolarHBondContact SD-CZ 3.03Å |
| 35 | P | 89.2 | Confident | 90.2 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.4 | -31.9 | 171.5 | -31.5 | 38.8 | 0 | 0 | 0 | 114.4 | M1 N31 R38 Q39 I80 | M1-P35 HydrophobicContact CE-CB 4.22Å; M1-P35 WeakPolarHBondContact CE-O 3.33Å; M1-P35 HydrophobicContact SD-CB 4.05Å; N31-P35 WeakPolarHBondContact O-CG 3.18Å; P35-R38 PolarHBondContact O-N 2.98Å; P35-Q39 WeakPolarHBondContact O-CG 3.38Å; P35-Q39 PolarHBondContact O-N 3.46Å; P35-I80 HydrophobicContact CB-CG2 4.22Å |
| 36 | I | 90.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -48.1 | 172.6 | -61.5 | 161.5 | 0 | 0 | 0 | 110.2 | M1 V2 L5 Y32 G33 M34 R38 Q39 L40 I135 | M1-I36 HydrophobicContact CB-CG1 4.18Å; M1-I36 VanDerWaalsContact CE-CA 3.41Å; M1-I36 HydrophobicContact CE-CB 4Å; M1-I36 HydrophobicContact CE-CG1 3.47Å; M1-I36 VanDerWaalsContact CE-CG1 3.47Å; M1-I36 HydrophobicContact CG-CD1 4.33Å; M1-I36 HydrophobicContact CG-CG1 3.73Å; M1-I36 HydrophobicContact SD-CG1 4.18Å; V2-I36 HydrophobicContact CG2-CD1 4.16Å; V2-I36 HydrophobicContact CG2-CG2 4.25Å; L5-I36 HydrophobicContact CB-CD1 4.2Å; L5-I36 HydrophobicContact CD2-CD1 3.46Å; L5-I36 VanDerWaalsContact CD2-CD1 3.46Å; L5-I36 HydrophobicContact CG-CD1 4.43Å; Y32-I36 WeakPolarHBondContact O-CG1 3.41Å; G33-I36 WeakPolarHBondContact O-CB 3.33Å; G33-I36 PolarHBondContact O-N 3.39Å; M34-I36 PolarHBondContact O-N 2.99Å; I36-R38 VanDerWaalsContact C-N 3.26Å; I36-R38 PolarHBondContact O-N 3.03Å; I36-Q39 PolarHBondContact O-N 2.83Å; I36-L40 HydrophobicContact CG2-CD1 4.23Å; I36-L40 WeakPolarHBondContact O-CG 3.33Å; I36-L40 PolarHBondContact O-N 3.3Å; I36-I135 HydrophobicContact CG2-CD1 4.44Å; I36-I135 HydrophobicContact CG2-CG2 4.31Å |
| 37 | V | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 176.7 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | G33 M34 L40 C41 Y89 V114 L115 F131 I135 | G33-V37 PolarHBondContact O-N 3.37Å; M34-V37 WeakPolarHBondContact O-CB 3.48Å; M34-V37 PolarHBondContact O-N 3.36Å; M34-V37 VanDerWaalsContact O-N 3.11Å; M34-V37 HydrophobicContact SD-CG2 4.31Å; V37-L40 PolarHBondContact O-N 2.86Å; V37-C41 WeakPolarHBondContact O-CB 3.47Å; V37-C41 PolarHBondContact O-N 3.2Å; V37-C41 PolarHBondContact O-SG 3.02Å; V37-Y89 HydrophobicContact CG1-CD1 4.29Å; V37-Y89 HydrophobicContact CG1-CE1 3.89Å; V37-V114 HydrophobicContact CB-CG1 4.39Å; V37-V114 HydrophobicContact CG1-CG1 3.94Å; V37-V114 HydrophobicContact CG2-CG1 3.55Å; V37-L115 HydrophobicContact CG1-CD2 4.49Å; V37-F131 HydrophobicContact CG2-CE2 4.05Å; V37-F131 HydrophobicContact CG2-CZ 3.94Å; V37-I135 HydrophobicContact CG2-CD1 3.98Å |
| 38 | R | 88.7 | Confident | 89.5 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -51.6 | 177.7 | 174.2 | 55.8 | -169.3 | -159.1 | 10.4 | 111.8 | M34 P35 I36 L40 C41 D42 W52 | M34-R38 WeakPolarHBondContact O-CB 3.22Å; M34-R38 PolarHBondContact O-N 2.72Å; P35-R38 PolarHBondContact O-N 2.98Å; I36-R38 VanDerWaalsContact C-N 3.26Å; I36-R38 PolarHBondContact O-N 3.03Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 3.47Å; R38-C41 PolarHBondContact O-N 3.31Å; R38-C41 VanDerWaalsContact O-N 3.16Å; R38-D42 IonicContact CZ-OD1 3.26Å; R38-D42 IonicContact CZ-OD2 3.13Å; R38-D42 IonicContact NE-OD1 2.77Å; R38-D42 PolarHBondContact NE-OD1 2.97Å; R38-D42 IonicContact NE-OD2 2.94Å; R38-D42 PolarHBondContact NE-OD2 3.15Å; R38-D42 IonicContact NH2-OD1 3.4Å; R38-D42 PolarHBondContact NH2-OD1 3.14Å; R38-D42 IonicContact NH2-OD2 2.67Å; R38-D42 PolarHBondContact O-N 2.81Å; R38-W52 VanDerWaalsContact CZ-CE2 3.49Å |
| 39 | Q | 88.6 | Confident | 89.1 | Confident | 83 Ų | 83 | 46.7 Ų | 46.7 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.9 | -40.1 | -179.3 | -75.7 | -177.2 | 0.4 | 0 | 0 | 112.5 | M1 P35 I36 C41 D42 H43 | M1-Q39 HydrophobicContact CE-CB 4.48Å; M1-Q39 HydrophobicContact CE-CG 4.03Å; P35-Q39 WeakPolarHBondContact O-CG 3.38Å; P35-Q39 PolarHBondContact O-N 3.46Å; I36-Q39 PolarHBondContact O-N 2.83Å; Q39-C41 VanDerWaalsContact C-N 3.34Å; Q39-D42 PolarHBondContact O-N 3.4Å; Q39-H43 PolarHBondContact O-N 3.27Å |
| 40 | L | 90.5 | Very high | 88.9 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 174.5 | -70.1 | 172.6 | 0 | 0 | 0 | 110.9 | I36 V37 R38 H43 I44 I135 L138 L143 L145 | I36-L40 HydrophobicContact CG2-CD1 4.23Å; I36-L40 WeakPolarHBondContact O-CG 3.33Å; I36-L40 PolarHBondContact O-N 3.3Å; V37-L40 PolarHBondContact O-N 2.86Å; R38-L40 VanDerWaalsContact C-N 3.32Å; R38-L40 PolarHBondContact O-N 3.47Å; L40-H43 WeakPolarHBondContact O-CB 3.46Å; L40-H43 PolarHBondContact O-N 2.88Å; L40-I44 WeakPolarHBondContact O-CD1 3.28Å; L40-I44 VanDerWaalsContact O-CG1 3.24Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 2.87Å; L40-I135 HydrophobicContact CD1-CD1 4.21Å; L40-I135 HydrophobicContact CD1-CG2 4.4Å; L40-L138 HydrophobicContact CB-CD2 4.47Å; L40-L138 HydrophobicContact CD1-CD2 4.15Å; L40-L143 HydrophobicContact CD2-CD1 4.31Å; L40-L145 HydrophobicContact CD2-CD1 3.68Å |
| 41 | C | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 178.7 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | V37 R38 Q39 H43 I44 S45 W52 Y89 L92 | V37-C41 WeakPolarHBondContact O-CB 3.47Å; V37-C41 PolarHBondContact O-N 3.2Å; V37-C41 PolarHBondContact O-SG 3.02Å; R38-C41 PolarHBondContact O-N 3.31Å; R38-C41 VanDerWaalsContact O-N 3.16Å; Q39-C41 VanDerWaalsContact C-N 3.34Å; C41-H43 VanDerWaalsContact C-N 3.3Å; C41-H43 PolarHBondContact O-N 2.94Å; C41-I44 PolarHBondContact O-N 3.22Å; C41-S45 VanDerWaalsContact O-CB 3.31Å; C41-S45 WeakPolarHBondContact O-CB 3.31Å; C41-S45 PolarHBondContact O-N 3.27Å; C41-W52 VanDerWaalsContact C-CZ3 3.5Å; C41-W52 HydrophobicContact CB-CH2 3.35Å; C41-W52 HydrophobicContact CB-CZ3 3.45Å; C41-W52 VanDerWaalsContact CB-CZ3 3.45Å; C41-W52 WeakPolarHBondContact O-CZ3 3.43Å; C41-Y89 HydrophobicContact CB-CE1 4.4Å; C41-L92 HydrophobicContact CB-CD2 3.69Å |
| 42 | D | 89.1 | Confident | 87.9 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.6 | -82.2 | -28.4 | 0 | 0 | 0 | 110.9 | R38 Q39 S45 Y46 | R38-D42 IonicContact CZ-OD1 3.26Å; R38-D42 IonicContact CZ-OD2 3.13Å; R38-D42 IonicContact NE-OD1 2.77Å; R38-D42 PolarHBondContact NE-OD1 2.97Å; R38-D42 IonicContact NE-OD2 2.94Å; R38-D42 PolarHBondContact NE-OD2 3.15Å; R38-D42 IonicContact NH2-OD1 3.4Å; R38-D42 PolarHBondContact NH2-OD1 3.14Å; R38-D42 IonicContact NH2-OD2 2.67Å; R38-D42 PolarHBondContact O-N 2.81Å; Q39-D42 PolarHBondContact O-N 3.4Å; D42-S45 PolarHBondContact O-N 3.49Å; D42-Y46 WeakPolarHBondContact O-CB 3.23Å; D42-Y46 PolarHBondContact O-N 2.88Å |
| 43 | H | 88.5 | Confident | 86.8 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.1 | 180 | 54.5 | 0 | 0 | 0 | 111.4 | Q39 L40 C41 S45 Y46 E47 | Q39-H43 PolarHBondContact O-N 3.27Å; L40-H43 WeakPolarHBondContact O-CB 3.46Å; L40-H43 PolarHBondContact O-N 2.88Å; C41-H43 VanDerWaalsContact C-N 3.3Å; C41-H43 PolarHBondContact O-N 2.94Å; H43-S45 PolarHBondContact O-N 3.27Å; H43-Y46 WeakPolarHBondContact O-CB 3.24Å; H43-Y46 PolarHBondContact O-N 3.44Å; H43-E47 IonicContact CE1-OE1 3.8Å; H43-E47 PolarHBondContact CE1-OE1 2.79Å; H43-E47 IonicContact ND1-OE1 2.81Å; H43-E47 WeakPolarHBondContact O-CG 3.42Å; H43-E47 PolarHBondContact O-N 3.45Å |
| 44 | I | 90.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.4 | -66.5 | 160.2 | 0 | 0 | 0 | 111.2 | L40 C41 Y46 E47 F48 L96 I107 I111 L138 L143 | L40-I44 WeakPolarHBondContact O-CD1 3.28Å; L40-I44 VanDerWaalsContact O-CG1 3.24Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 2.87Å; C41-I44 PolarHBondContact O-N 3.22Å; I44-Y46 VanDerWaalsContact C-N 3.26Å; I44-Y46 PolarHBondContact O-N 3.2Å; I44-E47 PolarHBondContact O-N 3.33Å; I44-F48 HydrophobicContact CG2-CD2 3.93Å; I44-F48 HydrophobicContact CG2-CE2 4.29Å; I44-F48 WeakPolarHBondContact O-CD2 3.28Å; I44-F48 PolarHBondContact O-N 2.99Å; I44-L96 HydrophobicContact CG2-CD1 3.9Å; I44-L96 HydrophobicContact CG2-CD2 3.9Å; I44-L96 HydrophobicContact CG2-CG 4.5Å; I44-I107 HydrophobicContact CD1-CG2 3.68Å; I44-I107 HydrophobicContact CG1-CG2 4.11Å; I44-I107 HydrophobicContact CG2-CG2 3.78Å; I44-I111 HydrophobicContact CD1-CD1 3.9Å; I44-I111 HydrophobicContact CD1-CG1 4.13Å; I44-L138 HydrophobicContact CD1-CD1 4.15Å; I44-L143 HydrophobicContact CD1-CD1 4.07Å; I44-L143 HydrophobicContact CG1-CD1 3.97Å; I44-L143 HydrophobicContact CG1-CD2 3.92Å |
| 45 | S | 89.2 | Confident | 83.6 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 179.1 | -158 | 0 | 0 | 0 | 0 | 111.1 | C41 D42 H43 G49 I50 | C41-S45 VanDerWaalsContact O-CB 3.31Å; C41-S45 WeakPolarHBondContact O-CB 3.31Å; C41-S45 PolarHBondContact O-N 3.27Å; D42-S45 PolarHBondContact O-N 3.49Å; H43-S45 PolarHBondContact O-N 3.27Å; S45-G49 PolarHBondContact O-N 3.26Å; S45-G49 VanDerWaalsContact O-N 3.16Å; S45-I50 PolarHBondContact O-N 2.98Å; S45-I50 PolarHBondContact OG-O 2.93Å |
| 46 | Y | 88.5 | Confident | 80.8 | Confident | 184 Ų | 184 | 52 Ų | 52 | 72% | 0.722 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.7 | -49.9 | 176.4 | 179.3 | -95.4 | 0 | 0 | 0 | 112.2 | D42 H43 I44 F48 G49 | D42-Y46 WeakPolarHBondContact O-CB 3.23Å; D42-Y46 PolarHBondContact O-N 2.88Å; H43-Y46 WeakPolarHBondContact O-CB 3.24Å; H43-Y46 PolarHBondContact O-N 3.44Å; I44-Y46 VanDerWaalsContact C-N 3.26Å; I44-Y46 PolarHBondContact O-N 3.2Å; Y46-F48 VanDerWaalsContact C-N 3.33Å; Y46-F48 PolarHBondContact O-N 3.11Å; Y46-G49 PolarHBondContact O-N 2.89Å; Y46-G49 VanDerWaalsContact O-N 3.15Å |
| 47 | E | 87.5 | Confident | 78.1 | Confident | 117 Ų | 117 | 57.7 Ų | 57.7 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -38.4 | -178.8 | -69.5 | -58.7 | 137.8 | 0 | 0 | 112.7 | H43 I44 | H43-E47 IonicContact CE1-OE1 3.8Å; H43-E47 PolarHBondContact CE1-OE1 2.79Å; H43-E47 IonicContact ND1-OE1 2.81Å; H43-E47 WeakPolarHBondContact O-CG 3.42Å; H43-E47 PolarHBondContact O-N 3.45Å; I44-E47 PolarHBondContact O-N 3.33Å |
| 48 | F | 86.8 | Confident | 75 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.6 | 178.9 | -74 | -90.5 | 0 | 0 | 0 | 113.9 | I44 Y46 I50 L96 L101 D103 A104 I107 | I44-F48 HydrophobicContact CG2-CD2 3.93Å; I44-F48 HydrophobicContact CG2-CE2 4.29Å; I44-F48 WeakPolarHBondContact O-CD2 3.28Å; I44-F48 PolarHBondContact O-N 2.99Å; Y46-F48 VanDerWaalsContact C-N 3.33Å; Y46-F48 PolarHBondContact O-N 3.11Å; F48-I50 HydrophobicContact CB-CD1 3.79Å; F48-I50 HydrophobicContact CB-CG1 3.86Å; F48-I50 PolarHBondContact O-N 3.28Å; F48-L96 HydrophobicContact CB-CD2 4.26Å; F48-L96 HydrophobicContact CD1-CD2 4.29Å; F48-L96 HydrophobicContact CD2-CD2 3.99Å; F48-L96 HydrophobicContact CE2-CD2 4.48Å; F48-L96 HydrophobicContact CG-CD2 3.9Å; F48-L101 HydrophobicContact CD1-CD1 4.21Å; F48-L101 HydrophobicContact CE1-CD1 4.07Å; F48-D103 HydrophobicContact CZ-CB 4.44Å; F48-A104 HydrophobicContact CD1-CB 4.16Å; F48-A104 HydrophobicContact CE1-CB 3.7Å; F48-A104 HydrophobicContact CZ-CB 4.26Å; F48-I107 HydrophobicContact CE2-CD1 3.36Å; F48-I107 HydrophobicContact CZ-CD1 3.48Å; F48-I107 VanDerWaalsContact CZ-CD1 3.48Å |
| 49 | G | 85 | Confident | 72.3 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 24.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S45 Y46 | S45-G49 PolarHBondContact O-N 3.26Å; S45-G49 VanDerWaalsContact O-N 3.16Å; Y46-G49 PolarHBondContact O-N 2.89Å; Y46-G49 VanDerWaalsContact O-N 3.15Å |
| 50 | I | 85.4 | Confident | 69.6 | Low | 18 Ų | 18 | 74.8 Ų | 74.8 | 9% | 0.092 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 129.6 | -179.2 | -63.4 | 174.3 | 0 | 0 | 0 | 108.1 | S45 F48 W52 L92 L95 L96 T99 | S45-I50 PolarHBondContact O-N 2.98Å; S45-I50 PolarHBondContact OG-O 2.93Å; F48-I50 HydrophobicContact CB-CD1 3.79Å; F48-I50 HydrophobicContact CB-CG1 3.86Å; F48-I50 PolarHBondContact O-N 3.28Å; I50-W52 PolarHBondContact O-N 3.44Å; I50-L92 HydrophobicContact CG2-CD1 4.02Å; I50-L95 HydrophobicContact CD1-CB 4.35Å; I50-L95 HydrophobicContact CG2-CB 3.72Å; I50-L95 HydrophobicContact CG2-CD1 3.6Å; I50-L95 HydrophobicContact CG2-CG 4.23Å; I50-L96 HydrophobicContact CD1-CB 4.49Å; I50-L96 HydrophobicContact CD1-CD2 3.48Å; I50-L96 VanDerWaalsContact CD1-CD2 3.48Å; I50-L96 HydrophobicContact CD1-CG 3.8Å; I50-T99 HydrophobicContact CD1-CG2 3.98Å |
| 51 | P | 81.4 | Confident | 66.6 | Low | 99 Ų | 99 | 77.2 Ų | 77.2 | 64% | 0.643 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 135.4 | 175.7 | 27.4 | -33.3 | 0 | 0 | 0 | 110.3 | P53 | P51-P53 WeakPolarHBondContact O-CD 3.47Š|
| 52 | W | 76.1 | Confident | 63.8 | Low | 24 Ų | 24 | 83.4 Ų | 83.4 | 9% | 0.091 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 129 | 179.9 | -170.8 | -87.1 | 0 | 0 | 0 | 111.3 | R38 C41 I50 G54 S55 L84 Y89 L92 | R38-W52 VanDerWaalsContact CZ-CE2 3.49Å; C41-W52 VanDerWaalsContact C-CZ3 3.5Å; C41-W52 HydrophobicContact CB-CH2 3.35Å; C41-W52 HydrophobicContact CB-CZ3 3.45Å; C41-W52 VanDerWaalsContact CB-CZ3 3.45Å; C41-W52 WeakPolarHBondContact O-CZ3 3.43Å; I50-W52 PolarHBondContact O-N 3.44Å; W52-G54 PolarHBondContact O-N 3.28Å; W52-G54 VanDerWaalsContact O-N 3.11Å; W52-S55 PolarHBondContact O-N 2.94Å; W52-S55 VanDerWaalsContact O-N 3.15Å; W52-S55 PolarHBondContact O-OG 3.42Å; W52-L84 HydrophobicContact CZ2-CD2 4.24Å; W52-Y89 HydrophobicContact CH2-CD1 4.41Å; W52-Y89 HydrophobicContact CH2-CE1 4.37Å; W52-L92 HydrophobicContact CH2-CD2 3.78Å; W52-L92 HydrophobicContact CZ3-CD2 3.58Å |
| 53 | P | 67 | Low | 61.2 | Low | 7 Ų | 7 | 89.2 Ų | 89.2 | 5% | 0.045 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 114.6 | 177.5 | -26.3 | 37.2 | 0 | 0 | 0 | 112 | P51 S88 R91 L92 L95 | P51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-S88 WeakPolarHBondContact CG-O 3.47Å; P53-S88 PolarHBondContact O-OG 3.38Å; P53-R91 HydrophobicContact CB-CB 3.84Å; P53-R91 HydrophobicContact CB-CG 3.84Å; P53-R91 HydrophobicContact CG-CB 3.81Å; P53-R91 HydrophobicContact CG-CG 3.78Å; P53-L92 HydrophobicContact CG-CB 4.28Å; P53-L95 HydrophobicContact CG-CD1 4.24Å |
| 54 | G | 60.8 | Low | 58.7 | Low | 62 Ų | 62 | 94.4 Ų | 94.4 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.5 | -7.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | W52 T56 | W52-G54 PolarHBondContact O-N 3.28Å; W52-G54 VanDerWaalsContact O-N 3.11Å; G54-T56 PolarHBondContact O-N 3.29Å |
| 55 | S | 50.2 | Low | 55.9 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | trans | -80.1 | 55.2 | 171.2 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | W52 T57 | W52-S55 PolarHBondContact O-N 2.94Å; W52-S55 VanDerWaalsContact O-N 3.15Å; W52-S55 PolarHBondContact O-OG 3.42Å; S55-T57 PolarHBondContact O-N 2.81Å | ||
| 56 | T | 31.9 | Very low | 53.3 | Low | 135 Ų | 135 | 106.9 Ų | 106.9 | 83% | 0.828 | 62% | 0.62 | S | S | * | * | trans | -77.4 | 79.8 | 162.5 | 43.5 | 0 | 0 | 0 | 0 | 108.3 | G54 S58 | G54-T56 PolarHBondContact O-N 3.29Å; T56-S58 VanDerWaalsContact C-N 3.35Å; T56-S58 PolarHBondContact O-N 3.09Å; T56-S58 VanDerWaalsContact O-N 3.12Å | ||
| 57 | T | 32.5 | Very low | 50.8 | Low | 127 Ų | 127 | 103.1 Ų | 103.1 | 78% | 0.779 | 62% | 0.62 | S | S | * | * | trans | -67.9 | 102.5 | 152.9 | 35.3 | 0 | 0 | 0 | 0 | 106.8 | S55 K59 | S55-T57 PolarHBondContact O-N 2.81Å; T57-K59 PolarHBondContact O-N 2.89Å | ||
| 58 | S | 25.7 | Very low | 48.2 | Very low | 110 Ų | 110 | 102.3 Ų | 102.3 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | trans | -59.8 | 100.2 | 165.5 | 67 | 0 | 0 | 0 | 0 | 108.5 | T56 | T56-S58 VanDerWaalsContact C-N 3.35Å; T56-S58 PolarHBondContact O-N 3.09Å; T56-S58 VanDerWaalsContact O-N 3.12Å | ||
| 59 | K | 32.4 | Very low | 45.6 | Very low | 197 Ų | 197 | 107 Ų | 107 | 86% | 0.857 | 66% | 0.656 | S | S | * | * | trans | -135 | 101.5 | 154.9 | -77.8 | -165.8 | 178.2 | 178.8 | 0 | 109.2 | T57 | T57-K59 PolarHBondContact O-N 2.89Š| ||
| 60 | N | 31.5 | Very low | 43 | Very low | 166 Ų | 166 | 109 Ų | 109 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | trans | -41.5 | 144.4 | 160.3 | -61.3 | -35.4 | 0 | 0 | 0 | 112.3 | ||||
| 61 | G | 28 | Very low | 40.4 | Very low | 65 Ų | 65 | 114.2 Ų | 114.2 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | trans | 121.4 | 109.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 62 | P | 30.5 | Very low | 38.1 | Very low | 131 Ų | 131 | 117.1 Ų | 117.1 | 85% | 0.851 | 70% | 0.696 | S | S | * | * | trans | -86.5 | 109.6 | 172.4 | 32.6 | -25.8 | 0 | 0 | 0 | 109.5 | ||||
| 63 | L | 36.1 | Very low | 35.8 | Very low | 154 Ų | 154 | 124 Ų | 124 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -146.4 | 102.6 | 170.4 | -91.3 | 162.1 | 0 | 0 | 0 | 111.8 | ||||
| 64 | K | 36.4 | Very low | 34.1 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 47.4 | 111.1 | 131.4 | -69.8 | -178.9 | 176.6 | 179.4 | 0 | 119.9 | ||||
| 65 | T | 31.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 27.8 | 111.9 | 124.8 | 54.2 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 66 | N | 34.8 | Very low | 31.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | 171.5 | 139.2 | 108 | -86.3 | -17.6 | 0 | 0 | 0 | 112.3 | |||||
| 67 | S | 35.6 | Very low | 31.4 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 63.5 | 107.3 | 147.1 | -139 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 68 | S | 33.2 | Very low | 31.5 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 26.5 | 107.4 | 131.7 | 62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 69 | D | 31.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | -155.6 | 129.1 | 124.3 | -124.2 | -19.5 | 0 | 0 | 0 | 111.3 | T71 | D69-T71 PolarHBondContact O-N 3.35Š| |||
| 70 | S | 30 | Very low | 32.3 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -83.3 | 97.9 | -176.5 | 50.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 71 | T | 31.1 | Very low | 32.8 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -174.9 | 103.5 | 157.2 | 9.7 | 0 | 0 | 0 | 0 | 109.6 | D69 | D69-T71 PolarHBondContact O-N 3.35Š| ||
| 72 | Q | 32.3 | Very low | 33.6 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 179.2 | 100 | 139.5 | -101.9 | 174.8 | 11.3 | 0 | 0 | 109.4 | N74 | Q72-N74 PolarHBondContact O-N 3.12Å; Q72-N74 PolarHBondContact OE1-ND2 3.4Å | ||
| 73 | N | 28.3 | Very low | 34.8 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | trans | -62.5 | 84.8 | 155.4 | -93.4 | -17.5 | 0 | 0 | 0 | 108 | N75 | N73-N75 PolarHBondContact O-N 3.28Š| ||
| 74 | N | 31.3 | Very low | 36 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | trans | -84.4 | 98.6 | 168.9 | -79.3 | -25.9 | 0 | 0 | 0 | 108.5 | Q72 V76 | Q72-N74 PolarHBondContact O-N 3.12Å; Q72-N74 PolarHBondContact OE1-ND2 3.4Å; N74-V76 PolarHBondContact O-N 3.49Å | ||
| 75 | N | 26.9 | Very low | 37.7 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | trans | -43.9 | 96.7 | 157.3 | -84.5 | -36 | 0 | 0 | 0 | 110.2 | N73 K77 | N73-N75 PolarHBondContact O-N 3.28Å; N75-K77 PolarHBondContact O-N 3.43Å | ||
| 76 | V | 29.9 | Very low | 40 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | trans | -76.9 | 80.2 | 157.2 | -176.4 | 0 | 0 | 0 | 0 | 106 | N74 S78 | N74-V76 PolarHBondContact O-N 3.49Å; V76-S78 VanDerWaalsContact C-N 3.26Å; V76-S78 PolarHBondContact O-N 3.03Å | ||
| 77 | K | 28.9 | Very low | 42.2 | Very low | 179 Ų | 179 | 118.4 Ų | 118.4 | 78% | 0.778 | 67% | 0.665 | S | S | * | * | trans | -60.4 | 97.8 | 157 | -90.4 | 179.4 | 172.7 | 178.3 | 0 | 105.6 | N75 N79 | N75-K77 PolarHBondContact O-N 3.43Å; K77-N79 PolarHBondContact O-N 3.31Å; K77-N79 VanDerWaalsContact O-N 3.17Å | ||
| 78 | S | 35.3 | Very low | 44.6 | Very low | 52 Ų | 52 | 114.3 Ų | 114.3 | 36% | 0.364 | 64% | 0.637 | S | S | . | * | trans | -59.8 | 119.7 | 163.3 | 60.7 | 0 | 0 | 0 | 0 | 106.2 | V76 I80 | V76-S78 VanDerWaalsContact C-N 3.26Å; V76-S78 PolarHBondContact O-N 3.03Å; S78-I80 VanDerWaalsContact C-N 3.28Å; S78-I80 PolarHBondContact O-N 3.46Å | ||
| 79 | N | 30.5 | Very low | 47.2 | Very low | 132 Ų | 132 | 109.9 Ų | 109.9 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | -65.7 | 96.7 | 169.2 | -86.2 | -18.2 | 0 | 0 | 0 | 106.4 | K77 T81 | K77-N79 PolarHBondContact O-N 3.31Å; K77-N79 VanDerWaalsContact O-N 3.17Å; N79-T81 PolarHBondContact O-N 2.97Å | ||
| 80 | I | 44.6 | Very low | 50 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 43% | 0.431 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | 5.3 | -179.9 | -67.8 | 156.1 | 0 | 0 | 0 | 112.4 | P35 S78 | P35-I80 HydrophobicContact CB-CG2 4.22Å; S78-I80 VanDerWaalsContact C-N 3.28Å; S78-I80 PolarHBondContact O-N 3.46Å |
| 81 | T | 40.8 | Very low | 52.8 | Low | 126 Ų | 126 | 108.5 Ų | 108.5 | 77% | 0.773 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -13 | -175.8 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | N79 S83 | N79-T81 PolarHBondContact O-N 2.97Å; T81-S83 PolarHBondContact O-N 3.46Å |
| 82 | E | 45.5 | Very low | 55.6 | Low | 155 Ų | 155 | 102.4 Ų | 102.4 | 72% | 0.724 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -83 | 117.9 | 175.3 | -78.3 | 179.4 | -176.4 | 0 | 0 | 110.7 | L84 | E82-L84 PolarHBondContact O-N 3.3Š|
| 83 | S | 55.8 | Low | 58.3 | Low | 122 Ų | 122 | 94.9 Ų | 94.9 | 85% | 0.853 | 50% | 0.502 | S | S | * | . | trans | -68.1 | 96.1 | 171.8 | 57.4 | 0 | 0 | 0 | 0 | 109.1 | T81 | T81-S83 PolarHBondContact O-N 3.46Š| ||
| 84 | L | 60.9 | Low | 61.3 | Low | 51 Ų | 51 | 91 Ų | 91 | 27% | 0.267 | 48% | 0.479 | S | S | . | . | trans | -66.5 | 140.2 | 172.8 | -77.8 | 104.8 | 0 | 0 | 0 | 111.2 | W52 E82 Y89 | W52-L84 HydrophobicContact CZ2-CD2 4.24Å; E82-L84 PolarHBondContact O-N 3.3Å; L84-Y89 HydrophobicContact CB-CE2 4.28Å | ||
| 85 | S | 72.6 | Confident | 64 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | trans | -68.7 | 152.3 | 176.1 | 87.3 | 0 | 0 | 0 | 0 | 110.7 | E87 S88 | S85-E87 WeakPolarHBondContact CB-OE2 3.48Å; S85-E87 PolarHBondContact O-N 3.24Å; S85-E87 PolarHBondContact OG-OE2 2.85Å; S85-S88 WeakPolarHBondContact O-CB 3.48Å; S85-S88 PolarHBondContact O-N 2.63Å | ||
| 86 | I | 78.8 | Confident | 67 | Low | 79 Ų | 79 | 81.5 Ų | 81.5 | 41% | 0.405 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.7 | -30.1 | -179.7 | -68.6 | 172.2 | 0 | 0 | 0 | 110.4 | S88 Y89 H90 | I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 2.96Å; I86-Y89 WeakPolarHBondContact O-CB 3.39Å; I86-Y89 PolarHBondContact O-N 2.94Å; I86-Y89 VanDerWaalsContact O-N 3.1Å; I86-H90 VanDerWaalsContact CG2-CE1 3.44Å; I86-H90 WeakPolarHBondContact CG2-CE1 3.31Å; I86-H90 PolarHBondContact O-N 2.73Å |
| 87 | E | 82.8 | Confident | 69.8 | Low | 125 Ų | 125 | 79.1 Ų | 79.1 | 58% | 0.584 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.1 | -33.7 | 176.9 | -60.1 | 72.6 | -156.5 | 0 | 0 | 112.8 | S85 Y89 H90 R91 | S85-E87 WeakPolarHBondContact CB-OE2 3.48Å; S85-E87 PolarHBondContact O-N 3.24Å; S85-E87 PolarHBondContact OG-OE2 2.85Å; E87-Y89 VanDerWaalsContact C-N 3.3Å; E87-Y89 PolarHBondContact O-N 3.09Å; E87-H90 PolarHBondContact O-N 3.27Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 2.92Å |
| 88 | S | 85.4 | Confident | 72.6 | Confident | 19 Ų | 19 | 77.1 Ų | 77.1 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 175.8 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | P53 S85 I86 R91 L92 | P53-S88 WeakPolarHBondContact CG-O 3.47Å; P53-S88 PolarHBondContact O-OG 3.38Å; S85-S88 WeakPolarHBondContact O-CB 3.48Å; S85-S88 PolarHBondContact O-N 2.63Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 2.96Å; S88-R91 PolarHBondContact O-N 3.14Å; S88-L92 PolarHBondContact O-N 3.28Å; S88-L92 VanDerWaalsContact O-N 3.12Å |
| 89 | Y | 88.5 | Confident | 74.9 | Confident | 7 Ų | 7 | 77 Ų | 77 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71 | -43.5 | 176.2 | -64.2 | -89.4 | 0 | 0 | 0 | 111.5 | M34 V37 C41 W52 L84 I86 E87 R91 L92 I93 L115 | M34-Y89 HydrophobicContact CE-CD2 4.45Å; M34-Y89 HydrophobicContact CE-CE1 4.46Å; M34-Y89 HydrophobicContact CE-CE2 3.7Å; V37-Y89 HydrophobicContact CG1-CD1 4.29Å; V37-Y89 HydrophobicContact CG1-CE1 3.89Å; C41-Y89 HydrophobicContact CB-CE1 4.4Å; W52-Y89 HydrophobicContact CH2-CD1 4.41Å; W52-Y89 HydrophobicContact CH2-CE1 4.37Å; L84-Y89 HydrophobicContact CB-CE2 4.28Å; I86-Y89 WeakPolarHBondContact O-CB 3.39Å; I86-Y89 PolarHBondContact O-N 2.94Å; I86-Y89 VanDerWaalsContact O-N 3.1Å; E87-Y89 VanDerWaalsContact C-N 3.3Å; E87-Y89 PolarHBondContact O-N 3.09Å; Y89-R91 VanDerWaalsContact C-N 3.25Å; Y89-R91 PolarHBondContact O-N 3.03Å; Y89-L92 WeakPolarHBondContact O-CB 3.34Å; Y89-L92 PolarHBondContact O-N 3.42Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; Y89-I93 WeakPolarHBondContact O-CG1 3.43Å; Y89-I93 PolarHBondContact O-N 3.05Å; Y89-L115 HydrophobicContact CD1-CD2 4.42Å; Y89-L115 HydrophobicContact CG-CD2 4.17Å |
| 90 | H | 89.7 | Confident | 77.1 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 36% | 0.356 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 174.2 | -66.7 | 138.1 | 0 | 0 | 0 | 111.9 | I86 E87 L92 I93 E94 | I86-H90 VanDerWaalsContact CG2-CE1 3.44Å; I86-H90 WeakPolarHBondContact CG2-CE1 3.31Å; I86-H90 PolarHBondContact O-N 2.73Å; E87-H90 PolarHBondContact O-N 3.27Å; H90-L92 PolarHBondContact O-N 2.97Å; H90-I93 WeakPolarHBondContact O-CB 3.43Å; H90-I93 PolarHBondContact O-N 3.28Å; H90-E94 WeakPolarHBondContact O-CG 3.22Å; H90-E94 PolarHBondContact O-N 3.45Å |
| 91 | R | 88.3 | Confident | 79.1 | Confident | 158 Ų | 158 | 77.8 Ų | 77.8 | 60% | 0.596 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.1 | -36.9 | 175.7 | -174.2 | 160.7 | 171.2 | -166.8 | 5.7 | 112.7 | P53 E87 S88 Y89 E94 L95 | P53-R91 HydrophobicContact CB-CB 3.84Å; P53-R91 HydrophobicContact CB-CG 3.84Å; P53-R91 HydrophobicContact CG-CB 3.81Å; P53-R91 HydrophobicContact CG-CG 3.78Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 2.92Å; S88-R91 PolarHBondContact O-N 3.14Å; Y89-R91 VanDerWaalsContact C-N 3.25Å; Y89-R91 PolarHBondContact O-N 3.03Å; R91-E94 PolarHBondContact O-N 3.25Å; R91-L95 HydrophobicContact CG-CD1 4.35Å; R91-L95 VanDerWaalsContact O-CG 3.28Å; R91-L95 WeakPolarHBondContact O-CG 3.43Å; R91-L95 PolarHBondContact O-N 2.95Å |
| 92 | L | 89.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 172.6 | 177.8 | 68.6 | 0 | 0 | 0 | 111.3 | C41 I50 W52 P53 S88 Y89 H90 E94 L95 L96 I111 | C41-L92 HydrophobicContact CB-CD2 3.69Å; I50-L92 HydrophobicContact CG2-CD1 4.02Å; W52-L92 HydrophobicContact CH2-CD2 3.78Å; W52-L92 HydrophobicContact CZ3-CD2 3.58Å; P53-L92 HydrophobicContact CG-CB 4.28Å; S88-L92 PolarHBondContact O-N 3.28Å; S88-L92 VanDerWaalsContact O-N 3.12Å; Y89-L92 WeakPolarHBondContact O-CB 3.34Å; Y89-L92 PolarHBondContact O-N 3.42Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; H90-L92 PolarHBondContact O-N 2.97Å; L92-E94 VanDerWaalsContact C-N 3.28Å; L92-E94 PolarHBondContact O-N 3.2Å; L92-L95 PolarHBondContact O-N 3.17Å; L92-L96 HydrophobicContact CD1-CD1 4.39Å; L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 HydrophobicContact CG-CG 4.48Å; L92-L96 WeakPolarHBondContact O-CG 3.43Å; L92-L96 PolarHBondContact O-N 3.1Å; L92-I111 HydrophobicContact CD2-CD1 4.26Å |
| 93 | I | 90.6 | Very high | 83.3 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.7 | -46.3 | 176.5 | -70.6 | 170.3 | 0 | 0 | 0 | 110.2 | Y89 H90 L96 K97 I111 Q112 L115 | Y89-I93 WeakPolarHBondContact O-CG1 3.43Å; Y89-I93 PolarHBondContact O-N 3.05Å; H90-I93 WeakPolarHBondContact O-CB 3.43Å; H90-I93 PolarHBondContact O-N 3.28Å; I93-L96 PolarHBondContact O-N 3.47Å; I93-K97 HydrophobicContact CG2-CD 4.46Å; I93-K97 WeakPolarHBondContact O-CG 3.47Å; I93-K97 PolarHBondContact O-N 3.39Å; I93-K97 VanDerWaalsContact O-N 3.1Å; I93-I111 HydrophobicContact CD1-CB 4.26Å; I93-I111 HydrophobicContact CD1-CG2 3.86Å; I93-I111 HydrophobicContact CG1-CB 4.09Å; I93-I111 HydrophobicContact CG1-CG2 3.87Å; I93-Q112 HydrophobicContact CD1-CB 4.2Å; I93-L115 HydrophobicContact CD1-CD1 3.78Å |
| 94 | E | 89.8 | Confident | 84.9 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.1 | -70.9 | -55.4 | 123.3 | 0 | 0 | 111.8 | H90 R91 L92 L96 K97 H98 | H90-E94 WeakPolarHBondContact O-CG 3.22Å; H90-E94 PolarHBondContact O-N 3.45Å; R91-E94 PolarHBondContact O-N 3.25Å; L92-E94 VanDerWaalsContact C-N 3.28Å; L92-E94 PolarHBondContact O-N 3.2Å; E94-L96 VanDerWaalsContact C-N 3.31Å; E94-L96 PolarHBondContact O-N 2.91Å; E94-K97 PolarHBondContact O-N 3.12Å; E94-K97 IonicContact OE1-NZ 2.99Å; E94-K97 PolarHBondContact OE1-NZ 2.88Å; E94-H98 PolarHBondContact O-N 3.31Å; E94-H98 VanDerWaalsContact O-N 3.15Å; E94-H98 PolarHBondContact O-ND1 2.92Å; E94-H98 IonicContact OE2-CE1 2.86Å |
| 95 | L | 89 | Confident | 86.2 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 177 | -71.5 | 169.2 | 0 | 0 | 0 | 112.3 | I50 P53 R91 L92 H98 T99 | I50-L95 HydrophobicContact CD1-CB 4.35Å; I50-L95 HydrophobicContact CG2-CB 3.72Å; I50-L95 HydrophobicContact CG2-CD1 3.6Å; I50-L95 HydrophobicContact CG2-CG 4.23Å; P53-L95 HydrophobicContact CG-CD1 4.24Å; R91-L95 HydrophobicContact CG-CD1 4.35Å; R91-L95 VanDerWaalsContact O-CG 3.28Å; R91-L95 WeakPolarHBondContact O-CG 3.43Å; R91-L95 PolarHBondContact O-N 2.95Å; L92-L95 PolarHBondContact O-N 3.17Å; L95-H98 PolarHBondContact O-N 3.47Å; L95-T99 PolarHBondContact O-N 3.24Å |
| 96 | L | 89.4 | Confident | 87 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.1 | -76.3 | 164.6 | 0 | 0 | 0 | 111.8 | I44 F48 I50 L92 I93 E94 H98 T99 A104 I107 I111 | I44-L96 HydrophobicContact CG2-CD1 3.9Å; I44-L96 HydrophobicContact CG2-CD2 3.9Å; I44-L96 HydrophobicContact CG2-CG 4.5Å; F48-L96 HydrophobicContact CB-CD2 4.26Å; F48-L96 HydrophobicContact CD1-CD2 4.29Å; F48-L96 HydrophobicContact CD2-CD2 3.99Å; F48-L96 HydrophobicContact CE2-CD2 4.48Å; F48-L96 HydrophobicContact CG-CD2 3.9Å; I50-L96 HydrophobicContact CD1-CB 4.49Å; I50-L96 HydrophobicContact CD1-CD2 3.48Å; I50-L96 VanDerWaalsContact CD1-CD2 3.48Å; I50-L96 HydrophobicContact CD1-CG 3.8Å; L92-L96 HydrophobicContact CD1-CD1 4.39Å; L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 HydrophobicContact CG-CG 4.48Å; L92-L96 WeakPolarHBondContact O-CG 3.43Å; L92-L96 PolarHBondContact O-N 3.1Å; I93-L96 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact C-N 3.31Å; E94-L96 PolarHBondContact O-N 2.91Å; L96-H98 PolarHBondContact O-N 2.83Å; L96-T99 WeakPolarHBondContact O-CB 3.43Å; L96-T99 PolarHBondContact O-N 3.38Å; L96-T99 VanDerWaalsContact O-N 3.16Å; L96-T99 PolarHBondContact O-OG1 3.47Å; L96-A104 HydrophobicContact CB-CB 4.39Å; L96-A104 HydrophobicContact CD2-CB 4.17Å; L96-A104 WeakPolarHBondContact O-CB 3.17Å; L96-I107 HydrophobicContact CD1-CG2 4.11Å; L96-I111 HydrophobicContact CD1-CD1 3.64Å |
| 97 | K | 89.2 | Confident | 87.7 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 176.7 | -70.1 | 172.7 | -172.7 | 167.3 | 0 | 112.5 | I93 E94 T99 | I93-K97 HydrophobicContact CG2-CD 4.46Å; I93-K97 WeakPolarHBondContact O-CG 3.47Å; I93-K97 PolarHBondContact O-N 3.39Å; I93-K97 VanDerWaalsContact O-N 3.1Å; E94-K97 PolarHBondContact O-N 3.12Å; E94-K97 IonicContact OE1-NZ 2.99Å; E94-K97 PolarHBondContact OE1-NZ 2.88Å; K97-T99 VanDerWaalsContact C-N 3.28Å; K97-T99 PolarHBondContact O-N 3.33Å |
| 98 | H | 86.9 | Confident | 88.1 | Confident | 138 Ų | 138 | 60.7 Ų | 60.7 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8 | -178.8 | -71.6 | 68.4 | 0 | 0 | 0 | 114 | E94 L95 L96 N100 | E94-H98 PolarHBondContact O-N 3.31Å; E94-H98 VanDerWaalsContact O-N 3.15Å; E94-H98 PolarHBondContact O-ND1 2.92Å; E94-H98 IonicContact OE2-CE1 2.86Å; L95-H98 PolarHBondContact O-N 3.47Å; L96-H98 PolarHBondContact O-N 2.83Å; H98-N100 PolarHBondContact O-N 3.18Å |
| 99 | T | 84.9 | Confident | 88.5 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16 | 175.3 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | I50 L95 L96 K97 L101 A104 | I50-T99 HydrophobicContact CD1-CG2 3.98Å; L95-T99 PolarHBondContact O-N 3.24Å; L96-T99 WeakPolarHBondContact O-CB 3.43Å; L96-T99 PolarHBondContact O-N 3.38Å; L96-T99 VanDerWaalsContact O-N 3.16Å; L96-T99 PolarHBondContact O-OG1 3.47Å; K97-T99 VanDerWaalsContact C-N 3.28Å; K97-T99 PolarHBondContact O-N 3.33Å; T99-L101 PolarHBondContact O-N 2.99Å; T99-L101 VanDerWaalsContact O-N 3.16Å; T99-L101 PolarHBondContact OG1-N 3.08Å; T99-A104 WeakPolarHBondContact OG1-CB 3.29Å |
| 100 | N | 76.7 | Confident | 88.7 | Confident | 142 Ų | 142 | 62.5 Ų | 62.5 | 76% | 0.759 | 33% | 0.327 | S | S | * | . | trans | 57.7 | 16.5 | -174.3 | -60.8 | -41.3 | 0 | 0 | 0 | 115.1 | H98 | H98-N100 PolarHBondContact O-N 3.18Š| ||
| 101 | L | 86.6 | Confident | 88.9 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | trans | -87.9 | 131.5 | 173.5 | -64.9 | 173.4 | 0 | 0 | 0 | 110.4 | F48 T99 D103 A104 V105 | F48-L101 HydrophobicContact CD1-CD1 4.21Å; F48-L101 HydrophobicContact CE1-CD1 4.07Å; T99-L101 PolarHBondContact O-N 2.99Å; T99-L101 VanDerWaalsContact O-N 3.16Å; T99-L101 PolarHBondContact OG1-N 3.08Å; L101-D103 PolarHBondContact O-N 3.37Å; L101-A104 HydrophobicContact CB-CB 4.02Å; L101-A104 WeakPolarHBondContact O-CB 3.31Å; L101-A104 PolarHBondContact O-N 3.36Å; L101-A104 VanDerWaalsContact O-N 3.09Å; L101-V105 PolarHBondContact O-N 3.44Å | ||
| 102 | P | 85.6 | Confident | 89.1 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -54.9 | -38.4 | 178.6 | -27 | 34.6 | 0 | 0 | 0 | 113.7 | V105 S106 | P102-V105 PolarHBondContact O-N 2.87Å; P102-S106 PolarHBondContact O-N 3.24Å; P102-S106 VanDerWaalsContact O-N 3.14Å; P102-S106 PolarHBondContact O-OG 2.91Å; P102-S106 VanDerWaalsContact O-OG 3.04Å |
| 103 | D | 88.2 | Confident | 89.3 | Confident | 112 Ų | 112 | 57.9 Ų | 57.9 | 60% | 0.599 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 179 | -59.7 | -21 | 0 | 0 | 0 | 111.2 | F48 L101 V105 S106 I107 | F48-D103 HydrophobicContact CZ-CB 4.44Å; L101-D103 PolarHBondContact O-N 3.37Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.3Å; D103-S106 PolarHBondContact O-N 3.06Å; D103-I107 WeakPolarHBondContact O-CB 3.49Å; D103-I107 WeakPolarHBondContact O-CD1 3.39Å; D103-I107 VanDerWaalsContact O-CG1 3.23Å; D103-I107 WeakPolarHBondContact O-CG1 3.13Å; D103-I107 PolarHBondContact O-N 3.3Å |
| 104 | A | 88.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F48 L96 T99 L101 S108 | F48-A104 HydrophobicContact CD1-CB 4.16Å; F48-A104 HydrophobicContact CE1-CB 3.7Å; F48-A104 HydrophobicContact CZ-CB 4.26Å; L96-A104 HydrophobicContact CB-CB 4.39Å; L96-A104 HydrophobicContact CD2-CB 4.17Å; L96-A104 WeakPolarHBondContact O-CB 3.17Å; T99-A104 WeakPolarHBondContact OG1-CB 3.29Å; L101-A104 HydrophobicContact CB-CB 4.02Å; L101-A104 WeakPolarHBondContact O-CB 3.31Å; L101-A104 PolarHBondContact O-N 3.36Å; L101-A104 VanDerWaalsContact O-N 3.09Å; A104-S108 VanDerWaalsContact O-CB 3.3Å; A104-S108 WeakPolarHBondContact O-CB 3.27Å; A104-S108 PolarHBondContact O-N 2.85Å |
| 105 | V | 88 | Confident | 89.4 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L101 P102 D103 I107 S108 S109 | L101-V105 PolarHBondContact O-N 3.44Å; P102-V105 PolarHBondContact O-N 2.87Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.3Å; V105-I107 PolarHBondContact O-N 3.44Å; V105-S108 PolarHBondContact O-N 2.88Å; V105-S108 PolarHBondContact O-OG 3.5Å; V105-S109 PolarHBondContact O-N 3.43Å; V105-S109 VanDerWaalsContact O-N 3.1Å |
| 106 | S | 90.7 | Very high | 89.5 | Confident | 64 Ų | 64 | 55 Ų | 55 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | P102 D103 S109 A110 | P102-S106 PolarHBondContact O-N 3.24Å; P102-S106 VanDerWaalsContact O-N 3.14Å; P102-S106 PolarHBondContact O-OG 2.91Å; P102-S106 VanDerWaalsContact O-OG 3.04Å; D103-S106 PolarHBondContact O-N 3.06Å; S106-S109 PolarHBondContact O-N 3.14Å; S106-A110 PolarHBondContact O-N 3.4Å; S106-A110 VanDerWaalsContact O-N 3.09Å |
| 107 | I | 92.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.1 | -70 | 165.6 | 0 | 0 | 0 | 111 | I44 F48 L96 D103 V105 S109 A110 I111 L138 I142 L143 | I44-I107 HydrophobicContact CD1-CG2 3.68Å; I44-I107 HydrophobicContact CG1-CG2 4.11Å; I44-I107 HydrophobicContact CG2-CG2 3.78Å; F48-I107 HydrophobicContact CE2-CD1 3.36Å; F48-I107 HydrophobicContact CZ-CD1 3.48Å; F48-I107 VanDerWaalsContact CZ-CD1 3.48Å; L96-I107 HydrophobicContact CD1-CG2 4.11Å; D103-I107 WeakPolarHBondContact O-CB 3.49Å; D103-I107 WeakPolarHBondContact O-CD1 3.39Å; D103-I107 VanDerWaalsContact O-CG1 3.23Å; D103-I107 WeakPolarHBondContact O-CG1 3.13Å; D103-I107 PolarHBondContact O-N 3.3Å; V105-I107 PolarHBondContact O-N 3.44Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 3.14Å; I107-A110 PolarHBondContact O-N 3.44Å; I107-A110 VanDerWaalsContact O-N 3.14Å; I107-I111 HydrophobicContact CG2-CD1 3.88Å; I107-I111 HydrophobicContact CG2-CG1 4.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.46Å; I107-I111 PolarHBondContact O-N 3.31Å; I107-L138 HydrophobicContact CG2-CD1 4.37Å; I107-I142 HydrophobicContact CD1-CG2 4.42Å; I107-I142 HydrophobicContact CG1-CG2 3.44Å; I107-I142 VanDerWaalsContact CG1-CG2 3.44Å; I107-L143 HydrophobicContact CD1-CD2 4.02Å; I107-L143 HydrophobicContact CG1-CD2 4.36Å |
| 108 | S | 91.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 179.6 | 79.8 | 0 | 0 | 0 | 0 | 112.2 | A104 V105 Q112 | A104-S108 VanDerWaalsContact O-CB 3.3Å; A104-S108 WeakPolarHBondContact O-CB 3.27Å; A104-S108 PolarHBondContact O-N 2.85Å; V105-S108 PolarHBondContact O-N 2.88Å; V105-S108 PolarHBondContact O-OG 3.5Å; S108-Q112 PolarHBondContact O-N 2.93Å; S108-Q112 VanDerWaalsContact O-N 3.09Å |
| 109 | S | 93 | Very high | 89.2 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 175.9 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | V105 S106 I107 Q112 Q113 | V105-S109 PolarHBondContact O-N 3.43Å; V105-S109 VanDerWaalsContact O-N 3.1Å; S106-S109 PolarHBondContact O-N 3.14Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 3.14Å; S109-Q112 WeakPolarHBondContact O-CB 3.31Å; S109-Q112 PolarHBondContact O-N 3.34Å; S109-Q113 WeakPolarHBondContact O-CG 3.28Å; S109-Q113 PolarHBondContact O-N 3.35Å |
| 110 | A | 93.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S106 I107 Q112 Q113 V114 L138 I142 | S106-A110 PolarHBondContact O-N 3.4Å; S106-A110 VanDerWaalsContact O-N 3.09Å; I107-A110 PolarHBondContact O-N 3.44Å; I107-A110 VanDerWaalsContact O-N 3.14Å; A110-Q112 VanDerWaalsContact C-N 3.31Å; A110-Q112 PolarHBondContact O-N 3.09Å; A110-Q113 PolarHBondContact O-N 2.97Å; A110-V114 WeakPolarHBondContact O-CG2 3.43Å; A110-V114 PolarHBondContact O-N 3.16Å; A110-V114 VanDerWaalsContact O-N 3.13Å; A110-L138 HydrophobicContact CB-CB 4.22Å; A110-L138 HydrophobicContact CB-CD1 3.79Å; A110-I142 HydrophobicContact CB-CD1 3.24Å |
| 111 | I | 93 | Very high | 89 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 170.5 | -61.6 | 166.1 | 0 | 0 | 0 | 109.6 | I44 L92 I93 L96 I107 Q113 V114 L115 L138 | I44-I111 HydrophobicContact CD1-CD1 3.9Å; I44-I111 HydrophobicContact CD1-CG1 4.13Å; L92-I111 HydrophobicContact CD2-CD1 4.26Å; I93-I111 HydrophobicContact CD1-CB 4.26Å; I93-I111 HydrophobicContact CD1-CG2 3.86Å; I93-I111 HydrophobicContact CG1-CB 4.09Å; I93-I111 HydrophobicContact CG1-CG2 3.87Å; L96-I111 HydrophobicContact CD1-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CD1 3.88Å; I107-I111 HydrophobicContact CG2-CG1 4.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.46Å; I107-I111 PolarHBondContact O-N 3.31Å; I111-Q113 VanDerWaalsContact C-N 3.33Å; I111-Q113 PolarHBondContact O-N 3.41Å; I111-V114 WeakPolarHBondContact O-CB 3.43Å; I111-V114 PolarHBondContact O-N 3.11Å; I111-V114 VanDerWaalsContact O-N 3.14Å; I111-L115 HydrophobicContact CG2-CD1 4.37Å; I111-L115 HydrophobicContact CG2-CG 4.48Å; I111-L115 WeakPolarHBondContact O-CG 3.29Å; I111-L115 PolarHBondContact O-N 2.92Å; I111-L138 HydrophobicContact CG1-CD1 4.27Å; I111-L138 HydrophobicContact CG1-CD2 4.08Å |
| 112 | Q | 93.2 | Very high | 88.6 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 177.5 | -172.4 | 62.9 | 56.4 | 0 | 0 | 111.8 | I93 S108 S109 A110 V114 L115 D116 | I93-Q112 HydrophobicContact CD1-CB 4.2Å; S108-Q112 PolarHBondContact O-N 2.93Å; S108-Q112 VanDerWaalsContact O-N 3.09Å; S109-Q112 WeakPolarHBondContact O-CB 3.31Å; S109-Q112 PolarHBondContact O-N 3.34Å; A110-Q112 VanDerWaalsContact C-N 3.31Å; A110-Q112 PolarHBondContact O-N 3.09Å; Q112-V114 VanDerWaalsContact C-N 3.28Å; Q112-V114 PolarHBondContact O-N 3.42Å; Q112-L115 PolarHBondContact O-N 2.98Å; Q112-L115 VanDerWaalsContact O-N 3.1Å; Q112-D116 PolarHBondContact NE2-OD1 3.06Å; Q112-D116 VanDerWaalsContact O-CG 3.25Å; Q112-D116 PolarHBondContact O-N 3.29Å |
| 113 | Q | 93.3 | Very high | 88.1 | Confident | 87 Ų | 87 | 48.3 Ų | 48.3 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | 176.5 | -70.3 | 175.8 | 7.3 | 0 | 0 | 112.9 | S109 A110 I111 S117 P134 | S109-Q113 WeakPolarHBondContact O-CG 3.28Å; S109-Q113 PolarHBondContact O-N 3.35Å; A110-Q113 PolarHBondContact O-N 2.97Å; I111-Q113 VanDerWaalsContact C-N 3.33Å; I111-Q113 PolarHBondContact O-N 3.41Å; Q113-S117 WeakPolarHBondContact O-CB 3.32Å; Q113-S117 PolarHBondContact O-N 3.06Å; Q113-S117 PolarHBondContact O-OG 3.34Å; Q113-P134 HydrophobicContact CB-CB 4.34Å |
| 114 | V | 92.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V37 A110 I111 Q112 S117 F118 F131 P134 I135 L138 | V37-V114 HydrophobicContact CB-CG1 4.39Å; V37-V114 HydrophobicContact CG1-CG1 3.94Å; V37-V114 HydrophobicContact CG2-CG1 3.55Å; A110-V114 WeakPolarHBondContact O-CG2 3.43Å; A110-V114 PolarHBondContact O-N 3.16Å; A110-V114 VanDerWaalsContact O-N 3.13Å; I111-V114 WeakPolarHBondContact O-CB 3.43Å; I111-V114 PolarHBondContact O-N 3.11Å; I111-V114 VanDerWaalsContact O-N 3.14Å; Q112-V114 VanDerWaalsContact C-N 3.28Å; Q112-V114 PolarHBondContact O-N 3.42Å; V114-S117 PolarHBondContact O-OG 3.2Å; V114-F118 WeakPolarHBondContact O-CB 3.36Å; V114-F118 PolarHBondContact O-N 3.01Å; V114-F131 HydrophobicContact CG1-CE2 4.28Å; V114-P134 HydrophobicContact CB-CB 4.39Å; V114-P134 HydrophobicContact CG2-CB 3.65Å; V114-I135 HydrophobicContact CB-CD1 4.47Å; V114-I135 HydrophobicContact CG1-CD1 3.52Å; V114-I135 HydrophobicContact CG1-CG1 4.33Å; V114-I135 HydrophobicContact CG2-CD1 4.02Å; V114-I135 HydrophobicContact CG2-CG1 4.46Å; V114-L138 HydrophobicContact CG2-CB 4.32Å; V114-L138 HydrophobicContact CG2-CD2 4.08Å |
| 115 | L | 91.4 | Very high | 86.5 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 177.1 | -63.7 | 177 | 0 | 0 | 0 | 111.9 | V37 Y89 I93 I111 Q112 F118 K119 | V37-L115 HydrophobicContact CG1-CD2 4.49Å; Y89-L115 HydrophobicContact CD1-CD2 4.42Å; Y89-L115 HydrophobicContact CG-CD2 4.17Å; I93-L115 HydrophobicContact CD1-CD1 3.78Å; I111-L115 HydrophobicContact CG2-CD1 4.37Å; I111-L115 HydrophobicContact CG2-CG 4.48Å; I111-L115 WeakPolarHBondContact O-CG 3.29Å; I111-L115 PolarHBondContact O-N 2.92Å; Q112-L115 PolarHBondContact O-N 2.98Å; Q112-L115 VanDerWaalsContact O-N 3.1Å; L115-F118 WeakPolarHBondContact O-CB 3.49Å; L115-F118 PolarHBondContact O-N 2.97Å; L115-K119 PolarHBondContact O-N 3.4Å |
| 116 | D | 90 | Very high | 85.8 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 177.6 | -67.8 | -17.5 | 0 | 0 | 0 | 110.8 | Q112 F118 K119 V120 | Q112-D116 PolarHBondContact NE2-OD1 3.06Å; Q112-D116 VanDerWaalsContact O-CG 3.25Å; Q112-D116 PolarHBondContact O-N 3.29Å; D116-F118 VanDerWaalsContact C-N 3.31Å; D116-F118 PolarHBondContact O-N 3.46Å; D116-K119 WeakPolarHBondContact O-CB 3.39Å; D116-K119 PolarHBondContact O-N 3.15Å; D116-V120 WeakPolarHBondContact O-CG2 3.27Å; D116-V120 PolarHBondContact O-N 2.96Å |
| 117 | S | 88.5 | Confident | 85.4 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 175.3 | 72.7 | 0 | 0 | 0 | 0 | 112.2 | Q113 V114 K119 V120 G121 T130 | Q113-S117 WeakPolarHBondContact O-CB 3.32Å; Q113-S117 PolarHBondContact O-N 3.06Å; Q113-S117 PolarHBondContact O-OG 3.34Å; V114-S117 PolarHBondContact O-OG 3.2Å; S117-K119 PolarHBondContact O-N 3.48Å; S117-V120 PolarHBondContact O-N 3.15Å; S117-G121 PolarHBondContact O-N 3.04Å; S117-T130 WeakPolarHBondContact CB-O 3.38Å |
| 118 | F | 86.7 | Confident | 85.1 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 172.5 | -178.5 | -99.5 | 0 | 0 | 0 | 112.1 | L29 K30 M34 V114 L115 D116 G121 Q122 F131 | L29-F118 HydrophobicContact CD1-CD2 3.64Å; L29-F118 HydrophobicContact CD1-CE2 3.97Å; L29-F118 HydrophobicContact CD2-CD2 3.83Å; L29-F118 HydrophobicContact CD2-CE2 4.07Å; L29-F118 HydrophobicContact CG-CD2 3.54Å; L29-F118 HydrophobicContact CG-CE2 3.5Å; K30-F118 HydrophobicContact CG-CZ 4.09Å; M34-F118 HydrophobicContact CG-CD2 4.03Å; M34-F118 HydrophobicContact CG-CE1 4.02Å; M34-F118 HydrophobicContact CG-CE2 3.25Å; M34-F118 HydrophobicContact CG-CZ 3.26Å; M34-F118 HydrophobicContact SD-CD1 3.85Å; M34-F118 HydrophobicContact SD-CD2 3.5Å; M34-F118 WeakPolarHBondContact SD-CD2 3.12Å; M34-F118 HydrophobicContact SD-CE1 3.67Å; M34-F118 HydrophobicContact SD-CE2 3.34Å; M34-F118 WeakPolarHBondContact SD-CE2 3.38Å; M34-F118 HydrophobicContact SD-CG 3.77Å; M34-F118 HydrophobicContact SD-CZ 3.45Å; M34-F118 WeakPolarHBondContact SD-CZ 3.03Å; V114-F118 WeakPolarHBondContact O-CB 3.36Å; V114-F118 PolarHBondContact O-N 3.01Å; L115-F118 WeakPolarHBondContact O-CB 3.49Å; L115-F118 PolarHBondContact O-N 2.97Å; D116-F118 VanDerWaalsContact C-N 3.31Å; D116-F118 PolarHBondContact O-N 3.46Å; F118-G121 PolarHBondContact O-N 2.97Å; F118-Q122 VanDerWaalsContact CD1-NE2 3.31Å; F118-Q122 HydrophobicContact CE1-CG 4.5Å; F118-Q122 PolarHBondContact O-N 3.12Å; F118-F131 HydrophobicContact CD2-CE2 4.38Å |
| 119 | K | 85.3 | Confident | 84.7 | Confident | 145 Ų | 145 | 53.1 Ų | 53.1 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.7 | -42 | 176.4 | -174 | 179 | 179.7 | -178.7 | 0 | 112 | L115 D116 S117 Q122 | L115-K119 PolarHBondContact O-N 3.4Å; D116-K119 WeakPolarHBondContact O-CB 3.39Å; D116-K119 PolarHBondContact O-N 3.15Å; S117-K119 PolarHBondContact O-N 3.48Å; K119-Q122 PolarHBondContact O-N 2.83Å |
| 120 | V | 82.2 | Confident | 84.3 | Confident | 97 Ų | 97 | 54 Ų | 54 | 59% | 0.588 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | D116 S117 Q122 N123 | D116-V120 WeakPolarHBondContact O-CG2 3.27Å; D116-V120 PolarHBondContact O-N 2.96Å; S117-V120 PolarHBondContact O-N 3.15Å; V120-Q122 VanDerWaalsContact C-N 3.3Å; V120-Q122 PolarHBondContact O-N 3.41Å; V120-N123 PolarHBondContact O-N 3.42Å |
| 121 | G | 74.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S117 F118 N123 N124 L125 | S117-G121 PolarHBondContact O-N 3.04Å; F118-G121 PolarHBondContact O-N 2.97Å; G121-N123 PolarHBondContact O-N 3.36Å; G121-N124 PolarHBondContact O-N 2.99Å; G121-L125 VanDerWaalsContact C-CD1 3.45Å; G121-L125 WeakPolarHBondContact O-CD1 3.44Å; G121-L125 WeakPolarHBondContact O-CG 3.43Å |
| 122 | Q | 78.1 | Confident | 83.9 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -20.8 | -179.1 | -74.9 | -174.3 | 69.6 | 0 | 0 | 115.2 | F118 K119 V120 | F118-Q122 VanDerWaalsContact CD1-NE2 3.31Å; F118-Q122 HydrophobicContact CE1-CG 4.5Å; F118-Q122 PolarHBondContact O-N 3.12Å; K119-Q122 PolarHBondContact O-N 2.83Å; V120-Q122 VanDerWaalsContact C-N 3.3Å; V120-Q122 PolarHBondContact O-N 3.41Å |
| 123 | N | 74.2 | Confident | 83.7 | Confident | 133 Ų | 133 | 57 Ų | 57 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -92.3 | -28.9 | -174.2 | -66.2 | -24.7 | 0 | 0 | 0 | 113.9 | V120 G121 | V120-N123 PolarHBondContact O-N 3.42Å; G121-N123 PolarHBondContact O-N 3.36Å |
| 124 | N | 68.3 | Low | 83.7 | Confident | 126 Ų | 126 | 53.7 Ų | 53.7 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | trans | -167.1 | 89 | 177.4 | -160.1 | 9.1 | 0 | 0 | 0 | 111.7 | G121 | G121-N124 PolarHBondContact O-N 2.99Š| ||
| 125 | L | 74.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | trans | -97.7 | 117.7 | 179.3 | -85.9 | 154.7 | 0 | 0 | 0 | 111.8 | N22 L25 I26 L29 G121 S127 L128 | N22-L125 PolarHBondContact OD1-O 3.15Å; L25-L125 HydrophobicContact CB-CB 4.06Å; L25-L125 HydrophobicContact CD1-CB 4.28Å; I26-L125 HydrophobicContact CG1-CD1 3.98Å; L29-L125 HydrophobicContact CB-CD1 4.38Å; L29-L125 HydrophobicContact CD2-CD1 3.71Å; G121-L125 VanDerWaalsContact C-CD1 3.45Å; G121-L125 WeakPolarHBondContact O-CD1 3.44Å; G121-L125 WeakPolarHBondContact O-CG 3.43Å; L125-S127 WeakPolarHBondContact CD2-O 3.42Å; L125-L128 HydrophobicContact CD1-CD2 4.23Å; L125-L128 HydrophobicContact CD2-CD2 3.74Å | ||
| 126 | T | 73.5 | Confident | 83.7 | Confident | 99 Ų | 99 | 57.3 Ų | 57.3 | 61% | 0.607 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -98.8 | -23.4 | 159.4 | 51.2 | 0 | 0 | 0 | 0 | 112 | ||
| 127 | S | 82.1 | Confident | 83.8 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -159.7 | 153.2 | -176.7 | 159.3 | 0 | 0 | 0 | 0 | 110.2 | L125 D129 | L125-S127 WeakPolarHBondContact CD2-O 3.42Å; S127-D129 VanDerWaalsContact C-N 3.32Å; S127-D129 WeakPolarHBondContact OG-CB 3.42Å; S127-D129 PolarHBondContact OG-N 2.85Å; S127-D129 PolarHBondContact OG-OD2 2.91Å | ||
| 128 | L | 86.4 | Confident | 84 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -86.8 | 8 | 173.2 | -58.1 | 179.2 | 0 | 0 | 0 | 113.5 | L5 E9 L28 L29 L125 T130 F131 Y132 | L5-L128 HydrophobicContact CD1-CD1 3.76Å; L5-L128 HydrophobicContact CD2-CD1 4.48Å; L5-L128 HydrophobicContact CG-CD1 4.11Å; E9-L128 HydrophobicContact CB-CD1 4.26Å; E9-L128 HydrophobicContact CG-CD1 4.34Å; E9-L128 HydrophobicContact CG-CG 4.37Å; E9-L128 WeakPolarHBondContact OE1-CB 3.34Å; E9-L128 PolarHBondContact OE1-N 3.16Å; L28-L128 HydrophobicContact CD2-CD1 3.69Å; L28-L128 HydrophobicContact CG-CD1 4.14Å; L29-L128 HydrophobicContact CB-CD2 3.96Å; L29-L128 HydrophobicContact CD1-CD2 4.17Å; L29-L128 HydrophobicContact CD2-CD2 4.46Å; L29-L128 HydrophobicContact CG-CD2 4.39Å; L125-L128 HydrophobicContact CD1-CD2 4.23Å; L125-L128 HydrophobicContact CD2-CD2 3.74Å; L128-T130 PolarHBondContact O-N 3.26Å; L128-F131 WeakPolarHBondContact O-CA 3.4Å; L128-F131 VanDerWaalsContact O-CB 3.31Å; L128-F131 WeakPolarHBondContact O-CB 3.49Å; L128-F131 PolarHBondContact O-N 3.23Å; L128-Y132 HydrophobicContact CB-CD2 4.3Å; L128-Y132 HydrophobicContact CB-CE2 3.7Å; L128-Y132 VanDerWaalsContact O-CD2 3.26Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 3.41Å |
| 129 | D | 84.8 | Confident | 84.2 | Confident | 106 Ų | 106 | 54.7 Ų | 54.7 | 57% | 0.567 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -54.7 | -39.3 | 179.8 | -70.8 | -38.3 | 0 | 0 | 0 | 113.4 | S127 F131 Y132 T133 | S127-D129 VanDerWaalsContact C-N 3.32Å; S127-D129 WeakPolarHBondContact OG-CB 3.42Å; S127-D129 PolarHBondContact OG-N 2.85Å; S127-D129 PolarHBondContact OG-OD2 2.91Å; D129-F131 PolarHBondContact O-N 2.95Å; D129-Y132 PolarHBondContact O-N 2.81Å; D129-T133 PolarHBondContact O-N 2.89Å; D129-T133 PolarHBondContact O-OG1 3.15Å |
| 130 | T | 84.2 | Confident | 84.4 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67 | -24.2 | 176.7 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | S117 L128 P134 | S117-T130 WeakPolarHBondContact CB-O 3.38Å; L128-T130 PolarHBondContact O-N 3.26Å; T130-P134 WeakPolarHBondContact O-CD 3.37Å |
| 131 | F | 87.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -84.2 | -39.7 | 174.8 | 176 | -103.6 | 0 | 0 | 0 | 111.9 | L5 L29 V37 V114 F118 L128 D129 T133 P134 I135 | L5-F131 HydrophobicContact CD2-CD1 4.32Å; L5-F131 HydrophobicContact CD2-CE1 3.93Å; L29-F131 HydrophobicContact CD1-CB 4.28Å; L29-F131 HydrophobicContact CD1-CD1 3.9Å; L29-F131 HydrophobicContact CD1-CD2 3.64Å; L29-F131 HydrophobicContact CD1-CE1 4.09Å; L29-F131 HydrophobicContact CD1-CE2 3.84Å; L29-F131 HydrophobicContact CD1-CG 3.66Å; L29-F131 HydrophobicContact CD1-CZ 4.06Å; V37-F131 HydrophobicContact CG2-CE2 4.05Å; V37-F131 HydrophobicContact CG2-CZ 3.94Å; V114-F131 HydrophobicContact CG1-CE2 4.28Å; F118-F131 HydrophobicContact CD2-CE2 4.38Å; L128-F131 WeakPolarHBondContact O-CA 3.4Å; L128-F131 VanDerWaalsContact O-CB 3.31Å; L128-F131 WeakPolarHBondContact O-CB 3.49Å; L128-F131 PolarHBondContact O-N 3.23Å; D129-F131 PolarHBondContact O-N 2.95Å; F131-T133 VanDerWaalsContact C-N 3.31Å; F131-T133 PolarHBondContact O-N 3.48Å; F131-P134 WeakPolarHBondContact O-CD 3.35Å; F131-I135 HydrophobicContact CD1-CG1 4.24Å; F131-I135 HydrophobicContact CD2-CG1 4.45Å; F131-I135 HydrophobicContact CE1-CD1 4.3Å; F131-I135 HydrophobicContact CE1-CG1 3.84Å; F131-I135 HydrophobicContact CE2-CD1 4.14Å; F131-I135 HydrophobicContact CE2-CG1 4.08Å; F131-I135 HydrophobicContact CZ-CD1 3.77Å; F131-I135 HydrophobicContact CZ-CG1 3.75Å; F131-I135 VanDerWaalsContact O-CG1 3.26Å; F131-I135 WeakPolarHBondContact O-CG1 3.25Å; F131-I135 PolarHBondContact O-N 3.12Å |
| 132 | Y | 89.9 | Confident | 85.5 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -32.7 | -179.6 | -66.6 | -54.6 | 0 | 0 | 0 | 113.7 | V2 L5 Q6 E9 L128 D129 I135 K136 F150 | V2-Y132 HydrophobicContact CG1-CE1 4.41Å; L5-Y132 HydrophobicContact CD2-CE1 3.7Å; L5-Y132 HydrophobicContact CG-CE1 4.06Å; L5-Y132 WeakPolarHBondContact CG-OH 3.49Å; Q6-Y132 WeakPolarHBondContact CA-OH 3.46Å; Q6-Y132 HydrophobicContact CG-CE1 3.89Å; Q6-Y132 HydrophobicContact CG-CE2 4.15Å; Q6-Y132 WeakPolarHBondContact CG-OH 3.39Å; Q6-Y132 PolarHBondContact N-OH 3.3Å; E9-Y132 WeakPolarHBondContact OE2-CE2 3.45Å; E9-Y132 VanDerWaalsContact OE2-CZ 3.24Å; E9-Y132 PolarHBondContact OE2-OH 3.36Å; L128-Y132 HydrophobicContact CB-CD2 4.3Å; L128-Y132 HydrophobicContact CB-CE2 3.7Å; L128-Y132 VanDerWaalsContact O-CD2 3.26Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 3.41Å; D129-Y132 PolarHBondContact O-N 2.81Å; Y132-I135 PolarHBondContact O-N 2.95Å; Y132-K136 WeakPolarHBondContact O-CB 3.42Å; Y132-K136 PolarHBondContact O-N 3.38Å; Y132-F150 HydrophobicContact CD1-CE1 4.39Å; Y132-F150 HydrophobicContact CD1-CZ 4.44Å |
| 133 | T | 89.6 | Confident | 86 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 61% | 0.613 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.7 | -52.4 | -175.5 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | D129 F131 I135 K136 N137 | D129-T133 PolarHBondContact O-N 2.89Å; D129-T133 PolarHBondContact O-OG1 3.15Å; F131-T133 VanDerWaalsContact C-N 3.31Å; F131-T133 PolarHBondContact O-N 3.48Å; T133-I135 VanDerWaalsContact C-N 3.32Å; T133-I135 PolarHBondContact O-N 2.91Å; T133-K136 PolarHBondContact O-N 2.86Å; T133-N137 PolarHBondContact O-N 3.41Å |
| 134 | P | 91.8 | Very high | 86.6 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 173.1 | -26.7 | 37.5 | 0 | 0 | 0 | 113.7 | Q113 V114 T130 F131 N137 L138 | Q113-P134 HydrophobicContact CB-CB 4.34Å; V114-P134 HydrophobicContact CB-CB 4.39Å; V114-P134 HydrophobicContact CG2-CB 3.65Å; T130-P134 WeakPolarHBondContact O-CD 3.37Å; F131-P134 WeakPolarHBondContact O-CD 3.35Å; P134-N137 PolarHBondContact O-N 3.44Å; P134-L138 WeakPolarHBondContact O-CB 3.26Å; P134-L138 PolarHBondContact O-N 3Å |
| 135 | I | 92.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.2 | -67.8 | -71.5 | 0 | 0 | 0 | 110.6 | I36 V37 L40 V114 F131 Y132 T133 L138 S139 F150 | I36-I135 HydrophobicContact CG2-CD1 4.44Å; I36-I135 HydrophobicContact CG2-CG2 4.31Å; V37-I135 HydrophobicContact CG2-CD1 3.98Å; L40-I135 HydrophobicContact CD1-CD1 4.21Å; L40-I135 HydrophobicContact CD1-CG2 4.4Å; V114-I135 HydrophobicContact CB-CD1 4.47Å; V114-I135 HydrophobicContact CG1-CD1 3.52Å; V114-I135 HydrophobicContact CG1-CG1 4.33Å; V114-I135 HydrophobicContact CG2-CD1 4.02Å; V114-I135 HydrophobicContact CG2-CG1 4.46Å; F131-I135 HydrophobicContact CD1-CG1 4.24Å; F131-I135 HydrophobicContact CD2-CG1 4.45Å; F131-I135 HydrophobicContact CE1-CD1 4.3Å; F131-I135 HydrophobicContact CE1-CG1 3.84Å; F131-I135 HydrophobicContact CE2-CD1 4.14Å; F131-I135 HydrophobicContact CE2-CG1 4.08Å; F131-I135 HydrophobicContact CZ-CD1 3.77Å; F131-I135 HydrophobicContact CZ-CG1 3.75Å; F131-I135 VanDerWaalsContact O-CG1 3.26Å; F131-I135 WeakPolarHBondContact O-CG1 3.25Å; F131-I135 PolarHBondContact O-N 3.12Å; Y132-I135 PolarHBondContact O-N 2.95Å; T133-I135 VanDerWaalsContact C-N 3.32Å; T133-I135 PolarHBondContact O-N 2.91Å; I135-L138 PolarHBondContact O-N 3.17Å; I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.4Å; I135-S139 PolarHBondContact O-N 3.19Å; I135-S139 PolarHBondContact O-OG 3Å; I135-F150 HydrophobicContact CB-CZ 4.46Å; I135-F150 HydrophobicContact CG2-CE2 3.88Å; I135-F150 HydrophobicContact CG2-CZ 3.86Å |
| 136 | K | 92.4 | Very high | 87.8 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 175.4 | 179.2 | -179.2 | 174.6 | -173.3 | 0 | 110.5 | Y132 T133 L138 S139 V140 F150 | Y132-K136 WeakPolarHBondContact O-CB 3.42Å; Y132-K136 PolarHBondContact O-N 3.38Å; T133-K136 PolarHBondContact O-N 2.86Å; K136-L138 PolarHBondContact O-N 2.81Å; K136-S139 PolarHBondContact O-N 3.43Å; K136-S139 PolarHBondContact O-OG 2.76Å; K136-V140 HydrophobicContact CG-CB 4.36Å; K136-V140 HydrophobicContact CG-CG2 4.2Å; K136-V140 WeakPolarHBondContact O-CA 3.19Å; K136-V140 VanDerWaalsContact O-CB 3.27Å; K136-V140 WeakPolarHBondContact O-CB 3.4Å; K136-V140 PolarHBondContact O-N 2.68Å; K136-F150 HydrophobicContact CB-CD1 4.01Å; K136-F150 HydrophobicContact CB-CD2 4.05Å; K136-F150 HydrophobicContact CB-CE1 4.13Å; K136-F150 HydrophobicContact CB-CE2 4.18Å; K136-F150 HydrophobicContact CB-CG 3.98Å; K136-F150 HydrophobicContact CB-CZ 4.22Å; K136-F150 HydrophobicContact CD-CB 4.07Å; K136-F150 HydrophobicContact CD-CD1 4.24Å; K136-F150 HydrophobicContact CD-CG 4.22Å; K136-F150 HydrophobicContact CG-CB 3.95Å; K136-F150 HydrophobicContact CG-CD1 4.18Å; K136-F150 HydrophobicContact CG-CD2 4.17Å; K136-F150 HydrophobicContact CG-CG 3.86Å |
| 137 | N | 91.9 | Very high | 88 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -57.2 | -50.4 | 178.5 | -177.2 | 49.1 | 0 | 0 | 0 | 112 | T133 P134 D141 I142 | T133-N137 PolarHBondContact O-N 3.41Å; P134-N137 PolarHBondContact O-N 3.44Å; N137-D141 WeakPolarHBondContact CA-OD2 3.48Å; N137-D141 WeakPolarHBondContact O-CB 3.23Å; N137-D141 PolarHBondContact O-N 2.85Å; N137-D141 VanDerWaalsContact O-N 3.15Å; N137-I142 PolarHBondContact O-N 3.45Å |
| 138 | L | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -61.5 | -49.9 | 178.4 | 176.4 | 59.9 | 0 | 0 | 0 | 111.9 | L40 I44 I107 A110 I111 V114 P134 I135 K136 L143 | L40-L138 HydrophobicContact CB-CD2 4.47Å; L40-L138 HydrophobicContact CD1-CD2 4.15Å; I44-L138 HydrophobicContact CD1-CD1 4.15Å; I107-L138 HydrophobicContact CG2-CD1 4.37Å; A110-L138 HydrophobicContact CB-CB 4.22Å; A110-L138 HydrophobicContact CB-CD1 3.79Å; I111-L138 HydrophobicContact CG1-CD1 4.27Å; I111-L138 HydrophobicContact CG1-CD2 4.08Å; V114-L138 HydrophobicContact CG2-CB 4.32Å; V114-L138 HydrophobicContact CG2-CD2 4.08Å; P134-L138 WeakPolarHBondContact O-CB 3.26Å; P134-L138 PolarHBondContact O-N 3Å; I135-L138 PolarHBondContact O-N 3.17Å; K136-L138 PolarHBondContact O-N 2.81Å; L138-L143 HydrophobicContact CD1-CD1 4.37Å; L138-L143 HydrophobicContact CG-CD1 4.41Å; L138-L143 WeakPolarHBondContact O-CB 3.28Å; L138-L143 VanDerWaalsContact O-CG 3.24Å; L138-L143 WeakPolarHBondContact O-CG 3.34Å; L138-L143 PolarHBondContact O-N 3.21Å; L138-L143 VanDerWaalsContact O-N 3.1Å |
| 139 | S | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -78.2 | -45.1 | -171.3 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | I135 K136 L143 G144 L145 I147 | I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.4Å; I135-S139 PolarHBondContact O-N 3.19Å; I135-S139 PolarHBondContact O-OG 3Å; K136-S139 PolarHBondContact O-N 3.43Å; K136-S139 PolarHBondContact O-OG 2.76Å; S139-L143 WeakPolarHBondContact O-CB 3.39Å; S139-G144 PolarHBondContact O-N 2.9Å; S139-L145 WeakPolarHBondContact O-CB 3.39Å; S139-L145 WeakPolarHBondContact O-CG 3.49Å; S139-L145 PolarHBondContact O-N 3.12Å; S139-I147 VanDerWaalsContact OG-CD1 3.31Å; S139-I147 WeakPolarHBondContact OG-CD1 3.45Å |
| 140 | V | 90 | Very high | 86.5 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -89.6 | -57.6 | -174.8 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | K136 G144 F150 H151 | K136-V140 HydrophobicContact CG-CB 4.36Å; K136-V140 HydrophobicContact CG-CG2 4.2Å; K136-V140 WeakPolarHBondContact O-CA 3.19Å; K136-V140 VanDerWaalsContact O-CB 3.27Å; K136-V140 WeakPolarHBondContact O-CB 3.4Å; K136-V140 PolarHBondContact O-N 2.68Å; V140-G144 WeakPolarHBondContact O-CA 3.34Å; V140-G144 PolarHBondContact O-N 3.45Å; V140-F150 HydrophobicContact CG2-CB 3.98Å; V140-F150 HydrophobicContact CG2-CD2 3.93Å; V140-F150 HydrophobicContact CG2-CG 4.39Å; V140-H151 WeakPolarHBondContact CG1-CE1 3.42Å; V140-H151 WeakPolarHBondContact CG1-NE2 3.41Å; V140-H151 VanDerWaalsContact CG2-CE1 3.49Å; V140-H151 WeakPolarHBondContact CG2-CE1 3.34Å |
| 141 | D | 89.3 | Confident | 85.5 | Confident | 105 Ų | 105 | 46.7 Ų | 46.7 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | I | π-helix | trans | -76.6 | -32.5 | -166.4 | -56.2 | -36.2 | 0 | 0 | 0 | 111.6 | N137 | N137-D141 WeakPolarHBondContact CA-OD2 3.48Å; N137-D141 WeakPolarHBondContact O-CB 3.23Å; N137-D141 PolarHBondContact O-N 2.85Å; N137-D141 VanDerWaalsContact O-N 3.15Å |
| 142 | I | 89.1 | Confident | 84.1 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -98.3 | -48.4 | -178.6 | -64.6 | 170.9 | 0 | 0 | 0 | 112.3 | I107 A110 N137 | I107-I142 HydrophobicContact CD1-CG2 4.42Å; I107-I142 HydrophobicContact CG1-CG2 3.44Å; I107-I142 VanDerWaalsContact CG1-CG2 3.44Å; A110-I142 HydrophobicContact CB-CD1 3.24Å; N137-I142 PolarHBondContact O-N 3.45Å |
| 143 | L | 89.2 | Confident | 82.2 | Confident | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -9.6 | -178.2 | -63.5 | 173.3 | 0 | 0 | 0 | 114 | L40 I44 I107 L138 S139 L145 | L40-L143 HydrophobicContact CD2-CD1 4.31Å; I44-L143 HydrophobicContact CD1-CD1 4.07Å; I44-L143 HydrophobicContact CG1-CD1 3.97Å; I44-L143 HydrophobicContact CG1-CD2 3.92Å; I107-L143 HydrophobicContact CD1-CD2 4.02Å; I107-L143 HydrophobicContact CG1-CD2 4.36Å; L138-L143 HydrophobicContact CD1-CD1 4.37Å; L138-L143 HydrophobicContact CG-CD1 4.41Å; L138-L143 WeakPolarHBondContact O-CB 3.28Å; L138-L143 VanDerWaalsContact O-CG 3.24Å; L138-L143 WeakPolarHBondContact O-CG 3.34Å; L138-L143 PolarHBondContact O-N 3.21Å; L138-L143 VanDerWaalsContact O-N 3.1Å; S139-L143 WeakPolarHBondContact O-CB 3.39Å; L143-L145 HydrophobicContact CB-CD1 4.15Å; L143-L145 HydrophobicContact CB-CG 3.88Å; L143-L145 HydrophobicContact CD1-CD1 4.06Å; L143-L145 PolarHBondContact O-N 3.01Å |
| 144 | G | 86.8 | Confident | 80.4 | Confident | 58 Ų | 58 | 57 Ų | 57 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | trans | 68.5 | 17.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S139 V140 | S139-G144 PolarHBondContact O-N 2.9Å; V140-G144 WeakPolarHBondContact O-CA 3.34Å; V140-G144 PolarHBondContact O-N 3.45Å | ||
| 145 | L | 86.5 | Confident | 78.1 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | trans | -72.9 | 132.1 | -177.7 | -58 | 173.2 | 0 | 0 | 0 | 110.8 | L40 S139 L143 I147 | L40-L145 HydrophobicContact CD2-CD1 3.68Å; S139-L145 WeakPolarHBondContact O-CB 3.39Å; S139-L145 WeakPolarHBondContact O-CG 3.49Å; S139-L145 PolarHBondContact O-N 3.12Å; L143-L145 HydrophobicContact CB-CD1 4.15Å; L143-L145 HydrophobicContact CB-CG 3.88Å; L143-L145 HydrophobicContact CD1-CD1 4.06Å; L143-L145 PolarHBondContact O-N 3.01Å; L145-I147 HydrophobicContact CB-CG1 4.33Å; L145-I147 PolarHBondContact O-N 3.46Å; L145-I147 VanDerWaalsContact O-N 3.08Å | ||
| 146 | T | 81.7 | Confident | 76.3 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 81% | 0.81 | 38% | 0.38 | S | S | * | . | trans | -81.3 | 92.7 | 173.5 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 147 | I | 78 | Confident | 75 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | trans | -98.8 | 110.6 | 172 | -56.3 | -173 | 0 | 0 | 0 | 108.8 | V2 S139 L145 V149 F150 H151 | V2-I147 HydrophobicContact CB-CG2 4.49Å; V2-I147 HydrophobicContact CG2-CG2 4.32Å; S139-I147 VanDerWaalsContact OG-CD1 3.31Å; S139-I147 WeakPolarHBondContact OG-CD1 3.45Å; L145-I147 HydrophobicContact CB-CG1 4.33Å; L145-I147 PolarHBondContact O-N 3.46Å; L145-I147 VanDerWaalsContact O-N 3.08Å; I147-V149 HydrophobicContact CG2-CB 4.16Å; I147-V149 PolarHBondContact O-N 3.32Å; I147-V149 VanDerWaalsContact O-N 3.11Å; I147-F150 HydrophobicContact CB-CD2 3.78Å; I147-F150 HydrophobicContact CB-CE2 4.43Å; I147-F150 HydrophobicContact CD1-CD2 4.04Å; I147-F150 HydrophobicContact CD1-CE2 4Å; I147-F150 HydrophobicContact CG1-CD2 4.45Å; I147-F150 HydrophobicContact CG2-CD2 3.67Å; I147-F150 HydrophobicContact CG2-CE2 4.03Å; I147-F150 HydrophobicContact CG2-CG 4.37Å; I147-F150 PolarHBondContact O-N 3.2Å; I147-H151 PolarHBondContact O-N 2.95Å; I147-H151 PolarHBondContact O-ND1 2.96Å | ||
| 148 | S | 71.7 | Confident | 74.3 | Confident | 90 Ų | 90 | 72 Ų | 72 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.2 | -176 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | H151 | S148-H151 CarbonylContact O-C 3.36Å; S148-H151 PolarHBondContact O-N 3.01Å; S148-H151 VanDerWaalsContact O-O 3.08Å |
| 149 | V | 74.8 | Confident | 73.9 | Confident | 19 Ų | 19 | 78.5 Ų | 78.5 | 12% | 0.115 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -36.1 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 112.8 | V2 L3 Q6 I147 | V2-V149 HydrophobicContact CB-CG2 4.5Å; V2-V149 HydrophobicContact CG1-CB 4.19Å; V2-V149 HydrophobicContact CG1-CG1 3.89Å; V2-V149 HydrophobicContact CG1-CG2 4.45Å; L3-V149 HydrophobicContact CB-CG2 3.7Å; L3-V149 HydrophobicContact CD1-CG2 4.02Å; L3-V149 HydrophobicContact CG-CG2 4.44Å; Q6-V149 HydrophobicContact CG-CG1 4.44Å; I147-V149 HydrophobicContact CG2-CB 4.16Å; I147-V149 PolarHBondContact O-N 3.32Å; I147-V149 VanDerWaalsContact O-N 3.11Å |
| 150 | F | 76.2 | Confident | 73.3 | Confident | 20 Ų | 20 | 83.3 Ų | 83.3 | 9% | 0.088 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11.8 | -179.1 | -62 | -44.4 | 0 | 0 | 0 | 113.3 | V2 Y132 I135 K136 V140 I147 P152 | V2-F150 HydrophobicContact CG1-CE1 4.24Å; V2-F150 HydrophobicContact CG1-CE2 4.24Å; V2-F150 HydrophobicContact CG1-CZ 3.75Å; V2-F150 HydrophobicContact CG2-CE2 4.49Å; Y132-F150 HydrophobicContact CD1-CE1 4.39Å; Y132-F150 HydrophobicContact CD1-CZ 4.44Å; I135-F150 HydrophobicContact CB-CZ 4.46Å; I135-F150 HydrophobicContact CG2-CE2 3.88Å; I135-F150 HydrophobicContact CG2-CZ 3.86Å; K136-F150 HydrophobicContact CB-CD1 4.01Å; K136-F150 HydrophobicContact CB-CD2 4.05Å; K136-F150 HydrophobicContact CB-CE1 4.13Å; K136-F150 HydrophobicContact CB-CE2 4.18Å; K136-F150 HydrophobicContact CB-CG 3.98Å; K136-F150 HydrophobicContact CB-CZ 4.22Å; K136-F150 HydrophobicContact CD-CB 4.07Å; K136-F150 HydrophobicContact CD-CD1 4.24Å; K136-F150 HydrophobicContact CD-CG 4.22Å; K136-F150 HydrophobicContact CG-CB 3.95Å; K136-F150 HydrophobicContact CG-CD1 4.18Å; K136-F150 HydrophobicContact CG-CD2 4.17Å; K136-F150 HydrophobicContact CG-CG 3.86Å; V140-F150 HydrophobicContact CG2-CB 3.98Å; V140-F150 HydrophobicContact CG2-CD2 3.93Å; V140-F150 HydrophobicContact CG2-CG 4.39Å; I147-F150 HydrophobicContact CB-CD2 3.78Å; I147-F150 HydrophobicContact CB-CE2 4.43Å; I147-F150 HydrophobicContact CD1-CD2 4.04Å; I147-F150 HydrophobicContact CD1-CE2 4Å; I147-F150 HydrophobicContact CG1-CD2 4.45Å; I147-F150 HydrophobicContact CG2-CD2 3.67Å; I147-F150 HydrophobicContact CG2-CE2 4.03Å; I147-F150 HydrophobicContact CG2-CG 4.37Å; I147-F150 PolarHBondContact O-N 3.2Å; F150-P152 VanDerWaalsContact C-CD 3.43Å; F150-P152 WeakPolarHBondContact O-CD 3.26Å |
| 151 | H | 63.1 | Low | 73.1 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 39% | 0.389 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -117.1 | 74.8 | 174.5 | -57.7 | 89.3 | 0 | 0 | 0 | 109 | V140 I147 S148 P153 | V140-H151 WeakPolarHBondContact CG1-CE1 3.42Å; V140-H151 WeakPolarHBondContact CG1-NE2 3.41Å; V140-H151 VanDerWaalsContact CG2-CE1 3.49Å; V140-H151 WeakPolarHBondContact CG2-CE1 3.34Å; I147-H151 PolarHBondContact O-N 2.95Å; I147-H151 PolarHBondContact O-ND1 2.96Å; S148-H151 CarbonylContact O-C 3.36Å; S148-H151 PolarHBondContact O-N 3.01Å; S148-H151 VanDerWaalsContact O-O 3.08Å; H151-P153 WeakPolarHBondContact O-CD 3.32Å |
| 152 | P | 57.2 | Low | 73 | Confident | 76 Ų | 76 | 90 Ų | 90 | 49% | 0.494 | 48% | 0.481 | S | S | . | . | trans | -57.7 | 118.8 | 168.1 | 24.3 | -30.3 | 0 | 0 | 0 | 107.1 | F150 N154 | F150-P152 VanDerWaalsContact C-CD 3.43Å; F150-P152 WeakPolarHBondContact O-CD 3.26Å; P152-N154 PolarHBondContact O-N 3.33Å | ||
| 153 | P | 50.4 | Low | 72.9 | Confident | 73 Ų | 73 | 90.6 Ų | 90.6 | 47% | 0.474 | 49% | 0.485 | S | S | . | . | trans | -60.2 | 136.2 | 175.9 | 22.8 | -29.9 | 0 | 0 | 0 | 108 | H151 S155 | H151-P153 WeakPolarHBondContact O-CD 3.32Å; P153-S155 PolarHBondContact O-N 2.78Å | ||
| 154 | N | 51.3 | Low | 73 | Confident | 184 Ų | 184 | 89.5 Ų | 89.5 | 98% | 0.984 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -58.9 | 4.1 | 169.6 | -78.4 | -18.5 | 0 | 0 | 0 | 113.1 | P152 | P152-N154 PolarHBondContact O-N 3.33Š|
| 155 | S | 43.5 | Very low | 73.2 | Confident | 70 Ų | 70 | 92.1 Ų | 92.1 | 49% | 0.49 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -129.2 | 121.2 | 177 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | P153 | P153-S155 PolarHBondContact O-N 2.78Š|
| 156 | H | 55.8 | Low | 73.4 | Confident | 143 Ų | 143 | 94.3 Ų | 94.3 | 66% | 0.662 | 48% | 0.482 | S | S | * | . | trans | 70.1 | 91.3 | 165.3 | -54.1 | -67.6 | 0 | 0 | 0 | 118.7 | N158 K159 | H156-N158 PolarHBondContact O-N 3.08Å; H156-K159 PolarHBondContact O-N 3.38Å | ||
| 157 | N | 65.3 | Low | 74 | Confident | 138 Ų | 138 | 90.1 Ų | 90.1 | 74% | 0.738 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -43.7 | -34.3 | 162.4 | -114.1 | -0.9 | 0 | 0 | 0 | 113.4 | K159 R160 E161 | N157-K159 VanDerWaalsContact C-N 3.33Å; N157-K159 PolarHBondContact O-N 2.96Å; N157-R160 PolarHBondContact O-N 3.39Å; N157-E161 PolarHBondContact O-N 3.39Å |
| 158 | N | 77.4 | Confident | 74.8 | Confident | 120 Ų | 120 | 88.6 Ų | 88.6 | 64% | 0.642 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.1 | -34.1 | -178.3 | -62.3 | -0.7 | 0 | 0 | 0 | 113.5 | H156 R162 | H156-N158 PolarHBondContact O-N 3.08Å; N158-R162 WeakPolarHBondContact O-CB 3.41Å; N158-R162 PolarHBondContact O-N 2.95Å; N158-R162 VanDerWaalsContact O-N 3.07Å |
| 159 | K | 82.4 | Confident | 75.9 | Confident | 135 Ų | 135 | 86.1 Ų | 86.1 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.9 | -46.8 | 179.2 | -174.3 | 179.7 | 177.3 | -177.1 | 0 | 110.2 | H156 N157 R162 D163 | H156-K159 PolarHBondContact O-N 3.38Å; N157-K159 VanDerWaalsContact C-N 3.33Å; N157-K159 PolarHBondContact O-N 2.96Å; K159-R162 WeakPolarHBondContact O-CB 3.5Å; K159-R162 PolarHBondContact O-N 3.32Å; K159-D163 PolarHBondContact O-N 3.14Å |
| 160 | R | 80.6 | Confident | 76.9 | Confident | 102 Ų | 102 | 89.1 Ų | 89.1 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.9 | -179.8 | 179.1 | 171.7 | -177.5 | 3.1 | 111.5 | N157 R162 D163 E164 | N157-R160 PolarHBondContact O-N 3.39Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 PolarHBondContact O-N 2.98Å; R160-D163 PolarHBondContact O-N 3.36Å; R160-E164 HydrophobicContact CG-CG 4.37Å; R160-E164 IonicContact CZ-OE1 3.64Å; R160-E164 IonicContact NE-OE1 3.69Å; R160-E164 PolarHBondContact NE-OE1 3.48Å; R160-E164 IonicContact NH2-OE1 3.81Å; R160-E164 PolarHBondContact NH2-OE1 2.94Å; R160-E164 WeakPolarHBondContact O-CB 3.19Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 2.99Å |
| 161 | E | 84.2 | Confident | 77.9 | Confident | 81 Ų | 81 | 88.9 Ų | 88.9 | 38% | 0.379 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 178 | -172.7 | -178.1 | 178.1 | 0 | 0 | 111.7 | N157 E164 R165 | N157-E161 PolarHBondContact O-N 3.39Å; E161-E164 PolarHBondContact O-N 3.19Å; E161-R165 WeakPolarHBondContact O-CG 3.46Å; E161-R165 PolarHBondContact O-N 3.47Å; E161-R165 IonicContact OE1-CZ 3.65Å; E161-R165 IonicContact OE1-NE 3.81Å; E161-R165 PolarHBondContact OE1-NE 3.45Å; E161-R165 IonicContact OE1-NH2 2.76Å; E161-R165 PolarHBondContact OE1-NH2 3.03Å |
| 162 | R | 86.9 | Confident | 79.4 | Confident | 179 Ų | 179 | 84.9 Ų | 84.9 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 175 | -175.2 | 178.9 | -179.6 | 170.4 | 0.6 | 111.7 | N158 K159 R160 R165 L166 | N158-R162 WeakPolarHBondContact O-CB 3.41Å; N158-R162 PolarHBondContact O-N 2.95Å; N158-R162 VanDerWaalsContact O-N 3.07Å; K159-R162 WeakPolarHBondContact O-CB 3.5Å; K159-R162 PolarHBondContact O-N 3.32Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 PolarHBondContact O-N 2.98Å; R162-R165 PolarHBondContact O-N 3.31Å; R162-L166 HydrophobicContact CG-CD1 4.17Å; R162-L166 HydrophobicContact CG-CG 4.49Å; R162-L166 WeakPolarHBondContact O-CB 3.14Å; R162-L166 VanDerWaalsContact O-CG 3.3Å; R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 3.3Å |
| 163 | D | 88.2 | Confident | 81.3 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 179 | -67.2 | -18.8 | 0 | 0 | 0 | 111.5 | K159 R160 L166 K167 | K159-D163 PolarHBondContact O-N 3.14Å; R160-D163 PolarHBondContact O-N 3.36Å; D163-L166 PolarHBondContact O-N 3.05Å; D163-K167 WeakPolarHBondContact O-CB 3.35Å; D163-K167 PolarHBondContact O-N 3.49Å |
| 164 | E | 90.4 | Very high | 83.5 | Confident | 17 Ų | 17 | 85.5 Ų | 85.5 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 173.9 | -77.5 | 179.5 | -172.9 | 0 | 0 | 111.7 | L3 L7 R10 R160 E161 K167 A168 W214 | L3-E164 HydrophobicContact CD1-CG 3.98Å; L7-E164 WeakPolarHBondContact CD1-O 3.26Å; L7-E164 HydrophobicContact CD2-CB 4.07Å; L7-E164 HydrophobicContact CD2-CG 4.03Å; R10-E164 IonicContact NH1-OE2 2.63Å; R160-E164 HydrophobicContact CG-CG 4.37Å; R160-E164 IonicContact CZ-OE1 3.64Å; R160-E164 IonicContact NE-OE1 3.69Å; R160-E164 PolarHBondContact NE-OE1 3.48Å; R160-E164 IonicContact NH2-OE1 3.81Å; R160-E164 PolarHBondContact NH2-OE1 2.94Å; R160-E164 WeakPolarHBondContact O-CB 3.19Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 2.99Å; E161-E164 PolarHBondContact O-N 3.19Å; E164-K167 PolarHBondContact O-N 3.11Å; E164-A168 WeakPolarHBondContact O-CB 3.37Å; E164-A168 PolarHBondContact O-N 3.05Å; E164-W214 HydrophobicContact CB-CH2 4.35Å; E164-W214 HydrophobicContact CB-CZ3 4.25Å |
| 165 | R | 90.9 | Very high | 85.6 | Confident | 114 Ų | 114 | 78 Ų | 78 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.6 | -72.6 | -172.5 | -172.5 | -169.6 | 4.8 | 112.6 | E161 R162 K167 A168 N169 | E161-R165 WeakPolarHBondContact O-CG 3.46Å; E161-R165 PolarHBondContact O-N 3.47Å; E161-R165 IonicContact OE1-CZ 3.65Å; E161-R165 IonicContact OE1-NE 3.81Å; E161-R165 PolarHBondContact OE1-NE 3.45Å; E161-R165 IonicContact OE1-NH2 2.76Å; E161-R165 PolarHBondContact OE1-NH2 3.03Å; R162-R165 PolarHBondContact O-N 3.31Å; R165-K167 VanDerWaalsContact C-N 3.3Å; R165-K167 PolarHBondContact O-N 2.86Å; R165-A168 PolarHBondContact O-N 3.29Å; R165-N169 WeakPolarHBondContact O-CB 3.44Å; R165-N169 PolarHBondContact O-N 2.81Å |
| 166 | L | 92.6 | Very high | 88.2 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.1 | -75.3 | 173.6 | 0 | 0 | 0 | 110.7 | R162 D163 N169 E170 | R162-L166 HydrophobicContact CG-CD1 4.17Å; R162-L166 HydrophobicContact CG-CG 4.49Å; R162-L166 WeakPolarHBondContact O-CB 3.14Å; R162-L166 VanDerWaalsContact O-CG 3.3Å; R162-L166 WeakPolarHBondContact O-CG 3.44Å; R162-L166 PolarHBondContact O-N 3.3Å; D163-L166 PolarHBondContact O-N 3.05Å; L166-N169 PolarHBondContact O-N 2.7Å; L166-E170 PolarHBondContact O-N 3.31Å |
| 167 | K | 93.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 73.7 Ų | 73.7 | 19% | 0.191 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 179 | -171.1 | 55.4 | 172.7 | 180 | 0 | 112.8 | L3 S4 L7 D163 E164 R165 N169 E170 L171 | L3-K167 HydrophobicContact CD2-CB 3.93Å; L3-K167 HydrophobicContact CD2-CG 4.09Å; L3-K167 HydrophobicContact CG-CB 4.45Å; L3-K167 HydrophobicContact CG-CG 4.26Å; S4-K167 WeakPolarHBondContact OG-CE 3.39Å; L7-K167 HydrophobicContact CD1-CB 3.76Å; L7-K167 HydrophobicContact CD1-CG 3.85Å; D163-K167 WeakPolarHBondContact O-CB 3.35Å; D163-K167 PolarHBondContact O-N 3.49Å; E164-K167 PolarHBondContact O-N 3.11Å; R165-K167 VanDerWaalsContact C-N 3.3Å; R165-K167 PolarHBondContact O-N 2.86Å; K167-N169 VanDerWaalsContact C-N 3.33Å; K167-E170 HydrophobicContact CD-CB 4.42Å; K167-E170 WeakPolarHBondContact CD-OE2 3.49Å; K167-E170 IonicContact NZ-OE1 2.72Å; K167-E170 PolarHBondContact NZ-OE1 2.91Å; K167-E170 IonicContact NZ-OE2 3.69Å; K167-E170 PolarHBondContact NZ-OE2 3.39Å; K167-E170 WeakPolarHBondContact O-CB 3.28Å; K167-E170 PolarHBondContact O-N 3.42Å; K167-L171 WeakPolarHBondContact O-CG 3.3Å; K167-L171 PolarHBondContact O-N 2.99Å |
| 168 | A | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L7 E164 R165 L171 A172 Q209 W214 P215 Y309 | L7-A168 HydrophobicContact CD1-CB 4.37Å; E164-A168 WeakPolarHBondContact O-CB 3.37Å; E164-A168 PolarHBondContact O-N 3.05Å; R165-A168 PolarHBondContact O-N 3.29Å; A168-L171 PolarHBondContact O-N 3.23Å; A168-A172 PolarHBondContact O-N 3.34Å; A168-Q209 PolarHBondContact O-NE2 3.36Å; A168-W214 HydrophobicContact CB-CE3 4.38Å; A168-W214 HydrophobicContact CB-CZ3 4.44Å; A168-P215 HydrophobicContact CB-CG 4.49Å; A168-Y309 HydrophobicContact CB-CE1 4.42Å; A168-Y309 WeakPolarHBondContact CB-OH 3.33Å |
| 169 | N | 95 | Very high | 92.5 | Very high | 37 Ų | 37 | 65.2 Ų | 65.2 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 174.1 | -175.4 | 41.7 | 0 | 0 | 0 | 112.3 | R165 L166 K167 L171 A172 I173 R305 Y309 | R165-N169 WeakPolarHBondContact O-CB 3.44Å; R165-N169 PolarHBondContact O-N 2.81Å; L166-N169 PolarHBondContact O-N 2.7Å; K167-N169 VanDerWaalsContact C-N 3.33Å; N169-L171 VanDerWaalsContact C-N 3.33Å; N169-L171 PolarHBondContact O-N 2.94Å; N169-A172 WeakPolarHBondContact O-CB 3.25Å; N169-A172 PolarHBondContact O-N 2.72Å; N169-I173 WeakPolarHBondContact O-CG1 3.49Å; N169-I173 PolarHBondContact O-N 3.5Å; N169-R305 PolarHBondContact OD1-NH1 3.33Å; N169-R305 VanDerWaalsContact OD1-NH1 3.09Å; N169-Y309 HydrophobicContact CB-CD2 3.48Å; N169-Y309 VanDerWaalsContact CB-CD2 3.48Å; N169-Y309 HydrophobicContact CB-CE2 3.81Å; N169-Y309 HydrophobicContact CB-CG 3.88Å; N169-Y309 VanDerWaalsContact OD1-CD2 3.3Å; N169-Y309 WeakPolarHBondContact OD1-CD2 3.46Å |
| 170 | E | 95.7 | Very high | 93.1 | Very high | 82 Ų | 82 | 63.9 Ų | 63.9 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 174.3 | -170.3 | -158.3 | 133 | 0 | 0 | 111.4 | L166 K167 I173 Q174 | L166-E170 PolarHBondContact O-N 3.31Å; K167-E170 HydrophobicContact CD-CB 4.42Å; K167-E170 WeakPolarHBondContact CD-OE2 3.49Å; K167-E170 IonicContact NZ-OE1 2.72Å; K167-E170 PolarHBondContact NZ-OE1 2.91Å; K167-E170 IonicContact NZ-OE2 3.69Å; K167-E170 PolarHBondContact NZ-OE2 3.39Å; K167-E170 WeakPolarHBondContact O-CB 3.28Å; K167-E170 PolarHBondContact O-N 3.42Å; E170-I173 PolarHBondContact O-N 3.26Å; E170-Q174 WeakPolarHBondContact O-CG 3.35Å; E170-Q174 PolarHBondContact O-N 2.65Å; E170-Q174 PolarHBondContact OE1-NE2 2.99Å; E170-Q174 VanDerWaalsContact OE1-NE2 3.12Å |
| 171 | L | 96 | Very high | 93.7 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 175.7 | -69.8 | 169.9 | 0 | 0 | 0 | 111.6 | K167 A168 N169 I173 Q174 V175 P215 | K167-L171 WeakPolarHBondContact O-CG 3.3Å; K167-L171 PolarHBondContact O-N 2.99Å; A168-L171 PolarHBondContact O-N 3.23Å; N169-L171 VanDerWaalsContact C-N 3.33Å; N169-L171 PolarHBondContact O-N 2.94Å; L171-I173 VanDerWaalsContact C-N 3.33Å; L171-I173 PolarHBondContact O-N 3.47Å; L171-Q174 PolarHBondContact O-N 2.96Å; L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 2.88Å; L171-V175 VanDerWaalsContact O-N 3.08Å; L171-P215 HydrophobicContact CB-CB 4.18Å; L171-P215 HydrophobicContact CD1-CB 4.06Å; L171-P215 HydrophobicContact CD1-CG 3.74Å |
| 172 | A | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A168 N169 V175 E176 L206 R305 Y309 | A168-A172 PolarHBondContact O-N 3.34Å; N169-A172 WeakPolarHBondContact O-CB 3.25Å; N169-A172 PolarHBondContact O-N 2.72Å; A172-V175 PolarHBondContact O-N 3.26Å; A172-E176 PolarHBondContact O-N 2.99Å; A172-L206 HydrophobicContact CB-CD1 4.39Å; A172-R305 HydrophobicContact CB-CG 3.79Å; A172-Y309 HydrophobicContact CB-CE2 4.46Å |
| 173 | I | 96.8 | Very high | 94.3 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 33% | 0.328 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.3 | -69.3 | 166.3 | 0 | 0 | 0 | 110.7 | N169 E170 L171 V175 E176 M177 | N169-I173 WeakPolarHBondContact O-CG1 3.49Å; N169-I173 PolarHBondContact O-N 3.5Å; E170-I173 PolarHBondContact O-N 3.26Å; L171-I173 VanDerWaalsContact C-N 3.33Å; L171-I173 PolarHBondContact O-N 3.47Å; I173-V175 VanDerWaalsContact C-N 3.33Å; I173-V175 PolarHBondContact O-N 3.24Å; I173-E176 PolarHBondContact O-N 2.86Å; I173-M177 HydrophobicContact CG2-CG 4.37Å; I173-M177 HydrophobicContact CG2-SD 4.18Å; I173-M177 WeakPolarHBondContact O-CB 3.4Å; I173-M177 VanDerWaalsContact O-CG 3.29Å; I173-M177 WeakPolarHBondContact O-CG 3.37Å; I173-M177 PolarHBondContact O-N 3.22Å |
| 174 | Q | 96.1 | Very high | 94.3 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.2 | -70.9 | 171.9 | 12.5 | 0 | 0 | 111.7 | E170 L171 M177 Q178 | E170-Q174 WeakPolarHBondContact O-CG 3.35Å; E170-Q174 PolarHBondContact O-N 2.65Å; E170-Q174 PolarHBondContact OE1-NE2 2.99Å; E170-Q174 VanDerWaalsContact OE1-NE2 3.12Å; L171-Q174 PolarHBondContact O-N 2.96Å; Q174-M177 PolarHBondContact O-N 3.46Å; Q174-Q178 PolarHBondContact O-N 3.47Å |
| 175 | V | 96.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | L171 A172 I173 M177 Q178 L179 A202 C205 L206 | L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 2.88Å; L171-V175 VanDerWaalsContact O-N 3.08Å; A172-V175 PolarHBondContact O-N 3.26Å; I173-V175 VanDerWaalsContact C-N 3.33Å; I173-V175 PolarHBondContact O-N 3.24Å; V175-M177 VanDerWaalsContact C-N 3.33Å; V175-M177 PolarHBondContact O-N 3.3Å; V175-Q178 PolarHBondContact O-N 3.14Å; V175-L179 PolarHBondContact O-N 3.29Å; V175-A202 HydrophobicContact CG1-CB 4.02Å; V175-A202 WeakPolarHBondContact CG1-O 3.46Å; V175-C205 HydrophobicContact CG1-CB 4.32Å; V175-L206 HydrophobicContact CG1-CB 3.91Å |
| 176 | E | 96.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 50.8 Ų | 50.8 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 172.9 | -178.6 | -171.3 | 135.5 | 0 | 0 | 111.1 | A172 I173 L179 K180 I302 R305 | A172-E176 PolarHBondContact O-N 2.99Å; I173-E176 PolarHBondContact O-N 2.86Å; E176-L179 PolarHBondContact O-N 3.28Å; E176-K180 VanDerWaalsContact O-CB 3.28Å; E176-K180 WeakPolarHBondContact O-CB 3.49Å; E176-K180 PolarHBondContact O-N 3.29Å; E176-I302 HydrophobicContact CG-CG1 3.98Å; E176-R305 WeakPolarHBondContact OE2-CD 3.4Å; E176-R305 IonicContact OE2-CZ 3.84Å; E176-R305 IonicContact OE2-NE 2.69Å; E176-R305 PolarHBondContact OE2-NE 3.15Å; E176-R305 IonicContact OE2-NH2 3.63Å |
| 177 | M | 96.3 | Very high | 91.9 | Very high | 98 Ų | 98 | 54.9 Ų | 54.9 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.1 | -73.6 | -178.9 | 73.2 | 0 | 0 | 111.3 | I173 Q174 V175 L179 K180 E181 | I173-M177 HydrophobicContact CG2-CG 4.37Å; I173-M177 HydrophobicContact CG2-SD 4.18Å; I173-M177 WeakPolarHBondContact O-CB 3.4Å; I173-M177 VanDerWaalsContact O-CG 3.29Å; I173-M177 WeakPolarHBondContact O-CG 3.37Å; I173-M177 PolarHBondContact O-N 3.22Å; Q174-M177 PolarHBondContact O-N 3.46Å; V175-M177 VanDerWaalsContact C-N 3.33Å; V175-M177 PolarHBondContact O-N 3.3Å; M177-L179 PolarHBondContact O-N 3Å; M177-K180 PolarHBondContact O-N 3.11Å; M177-E181 WeakPolarHBondContact O-CB 3.37Å; M177-E181 VanDerWaalsContact O-CG 3.28Å; M177-E181 WeakPolarHBondContact O-CG 3.28Å; M177-E181 PolarHBondContact O-N 3.05Å |
| 178 | Q | 95.3 | Very high | 90.7 | Very high | 80 Ų | 80 | 59 Ų | 59 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.4 | -177 | -179.7 | -5.8 | 0 | 0 | 112.1 | Q174 V175 S182 T198 A202 | Q174-Q178 PolarHBondContact O-N 3.47Å; V175-Q178 PolarHBondContact O-N 3.14Å; Q178-S182 WeakPolarHBondContact O-CB 3.38Å; Q178-S182 PolarHBondContact O-N 3.34Å; Q178-T198 HydrophobicContact CG-CG2 3.97Å; Q178-A202 HydrophobicContact CB-CB 4.37Å; Q178-A202 HydrophobicContact CG-CB 4.21Å |
| 179 | L | 96.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 175.4 | 177.6 | 58 | 0 | 0 | 0 | 110.8 | V175 E176 M177 S182 V183 A199 A202 A203 L206 I297 L298 | V175-L179 PolarHBondContact O-N 3.29Å; E176-L179 PolarHBondContact O-N 3.28Å; M177-L179 PolarHBondContact O-N 3Å; L179-S182 PolarHBondContact O-N 2.97Å; L179-V183 HydrophobicContact CD1-CG2 4.06Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.37Å; L179-A199 HydrophobicContact CD1-CB 3.74Å; L179-A199 WeakPolarHBondContact CD1-O 3.39Å; L179-A202 HydrophobicContact CB-CB 3.94Å; L179-A203 HydrophobicContact CD1-CB 4.23Å; L179-A203 HydrophobicContact CD2-CB 4.32Å; L179-L206 HydrophobicContact CD2-CD2 4.41Å; L179-I297 HydrophobicContact CD1-CG2 4.33Å; L179-I297 HydrophobicContact CD2-CG2 4.35Å; L179-L298 HydrophobicContact CD2-CD1 4.18Å; L179-L298 HydrophobicContact CG-CD1 3.92Å |
| 180 | K | 95.5 | Very high | 88.2 | Confident | 107 Ų | 107 | 69.4 Ų | 69.4 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | -179.7 | -175.7 | 178.9 | 178.4 | -178.5 | 0 | 112.2 | E176 M177 S182 V183 C184 L298 | E176-K180 VanDerWaalsContact O-CB 3.28Å; E176-K180 WeakPolarHBondContact O-CB 3.49Å; E176-K180 PolarHBondContact O-N 3.29Å; M177-K180 PolarHBondContact O-N 3.11Å; K180-S182 VanDerWaalsContact C-N 3.32Å; K180-S182 PolarHBondContact O-N 3.26Å; K180-V183 PolarHBondContact O-N 2.58Å; K180-C184 VanDerWaalsContact O-CB 3.29Å; K180-C184 WeakPolarHBondContact O-CB 3.39Å; K180-C184 PolarHBondContact O-N 3.47Å; K180-C184 PolarHBondContact O-SG 3.29Å; K180-C184 VanDerWaalsContact O-SG 3.33Å; K180-L298 HydrophobicContact CB-CD1 3.88Å; K180-L298 HydrophobicContact CG-CD1 4.4Å; K180-L298 HydrophobicContact CG-CD2 4.47Å |
| 181 | E | 93.3 | Very high | 87.7 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 177.6 | -75.2 | 174.7 | -170.8 | 0 | 0 | 111 | M177 N185 | M177-E181 WeakPolarHBondContact O-CB 3.37Å; M177-E181 VanDerWaalsContact O-CG 3.28Å; M177-E181 WeakPolarHBondContact O-CG 3.28Å; M177-E181 PolarHBondContact O-N 3.05Å; E181-N185 WeakPolarHBondContact O-CB 3.14Å; E181-N185 PolarHBondContact O-N 3.22Å; E181-N185 PolarHBondContact O-ND2 3.33Å |
| 182 | S | 92.4 | Very high | 87.4 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 8% | 0.077 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -51.5 | 177.2 | -164.5 | 0 | 0 | 0 | 0 | 111.8 | Q178 L179 K180 N185 A186 V195 | Q178-S182 WeakPolarHBondContact O-CB 3.38Å; Q178-S182 PolarHBondContact O-N 3.34Å; L179-S182 PolarHBondContact O-N 2.97Å; K180-S182 VanDerWaalsContact C-N 3.32Å; K180-S182 PolarHBondContact O-N 3.26Å; S182-N185 PolarHBondContact O-N 3.49Å; S182-A186 PolarHBondContact O-N 3.35Å; S182-V195 WeakPolarHBondContact O-CG1 3.48Å; S182-V195 WeakPolarHBondContact OG-CA 3.43Å; S182-V195 PolarHBondContact OG-O 2.99Å |
| 183 | V | 92.1 | Very high | 87.1 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.2 | -39.4 | -176.8 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | L179 K180 A186 A199 L294 L298 | L179-V183 HydrophobicContact CD1-CG2 4.06Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.37Å; K180-V183 PolarHBondContact O-N 2.58Å; V183-A186 WeakPolarHBondContact O-CB 3.5Å; V183-A186 PolarHBondContact O-N 3.34Å; V183-A199 HydrophobicContact CG2-CB 4.11Å; V183-L294 HydrophobicContact CG1-CB 4.43Å; V183-L294 HydrophobicContact CG2-CB 4.1Å; V183-L298 HydrophobicContact CB-CD2 4.11Å; V183-L298 HydrophobicContact CG1-CD2 4Å; V183-L298 HydrophobicContact CG2-CB 4.4Å |
| 184 | C | 88.2 | Confident | 86.8 | Confident | 70 Ų | 70 | 75 Ų | 75 | 47% | 0.473 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 176.7 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | K180 A186 | K180-C184 VanDerWaalsContact O-CB 3.29Å; K180-C184 WeakPolarHBondContact O-CB 3.39Å; K180-C184 PolarHBondContact O-N 3.47Å; K180-C184 PolarHBondContact O-SG 3.29Å; K180-C184 VanDerWaalsContact O-SG 3.33Å; C184-A186 PolarHBondContact O-N 3.11Å |
| 185 | N | 80.4 | Confident | 86.6 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -74.7 | -10.7 | 178.1 | -69.6 | -24.5 | 0 | 0 | 0 | 113.2 | E181 S182 K187 I188 N189 | E181-N185 WeakPolarHBondContact O-CB 3.14Å; E181-N185 PolarHBondContact O-N 3.22Å; E181-N185 PolarHBondContact O-ND2 3.33Å; S182-N185 PolarHBondContact O-N 3.49Å; N185-K187 PolarHBondContact O-N 2.76Å; N185-K187 VanDerWaalsContact O-N 3.1Å; N185-I188 PolarHBondContact O-N 3.4Å; N185-N189 PolarHBondContact O-N 3.38Å |
| 186 | A | 74.9 | Confident | 86.5 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S182 V183 C184 V195 | S182-A186 PolarHBondContact O-N 3.35Å; V183-A186 WeakPolarHBondContact O-CB 3.5Å; V183-A186 PolarHBondContact O-N 3.34Å; C184-A186 PolarHBondContact O-N 3.11Å; A186-V195 HydrophobicContact CB-CG1 3.78Å; A186-V195 HydrophobicContact CB-CG2 4.48Å |
| 187 | K | 68.1 | Low | 86.3 | Confident | 185 Ų | 185 | 70.9 Ų | 70.9 | 80% | 0.804 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -18.6 | 178.7 | -65.7 | -171 | 177.2 | -172.5 | 0 | 114 | N185 | N185-K187 PolarHBondContact O-N 2.76Å; N185-K187 VanDerWaalsContact O-N 3.1Å |
| 188 | I | 69 | Low | 86.3 | Confident | 131 Ų | 131 | 68.3 Ų | 68.3 | 67% | 0.672 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -34 | -174.3 | -55.2 | 174.3 | 0 | 0 | 0 | 110 | N185 | N185-I188 PolarHBondContact O-N 3.4Š|
| 189 | N | 66.6 | Low | 86.3 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | trans | -96.3 | 124.3 | -178.1 | -68.5 | -23.9 | 0 | 0 | 0 | 110.8 | N185 D191 | N185-N189 PolarHBondContact O-N 3.38Å; N189-D191 PolarHBondContact O-N 3.2Å | ||
| 190 | N | 69.6 | Low | 86.3 | Confident | 178 Ų | 178 | 64.5 Ų | 64.5 | 95% | 0.952 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -70.7 | 5.7 | 173.5 | -72.6 | -4.4 | 0 | 0 | 0 | 114 | ||
| 191 | D | 85 | Confident | 86.4 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 42% | 0.422 | 32% | 0.319 | S | S | . | . | trans | -108.6 | 76.6 | -177.9 | -170.2 | -9.1 | 0 | 0 | 0 | 110.5 | N189 L193 K194 V195 | N189-D191 PolarHBondContact O-N 3.2Å; D191-L193 PolarHBondContact O-N 3.35Å; D191-L193 WeakPolarHBondContact OD1-CB 3.32Å; D191-L193 PolarHBondContact OD1-N 2.93Å; D191-K194 HydrophobicContact CB-CB 4.14Å; D191-K194 PolarHBondContact O-N 2.9Å; D191-K194 PolarHBondContact OD1-N 3.46Å; D191-K194 VanDerWaalsContact OD2-CB 3.27Å; D191-K194 WeakPolarHBondContact OD2-CB 3.33Å; D191-V195 WeakPolarHBondContact O-CG2 2.97Å; D191-V195 PolarHBondContact O-N 3.3Å; D191-V195 VanDerWaalsContact O-N 3.14Å | ||
| 192 | L | 88.4 | Confident | 86.6 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -30.8 | 176.6 | -176.4 | 59.3 | 0 | 0 | 0 | 111.7 | V195 A196 Y273 E287 I290 Q291 L294 | L192-V195 PolarHBondContact O-N 3.01Å; L192-A196 VanDerWaalsContact O-CB 3.22Å; L192-A196 WeakPolarHBondContact O-CB 3.45Å; L192-A196 PolarHBondContact O-N 3.34Å; L192-Y273 WeakPolarHBondContact CD2-OH 3.24Å; L192-Y273 HydrophobicContact CG-CE1 4.4Å; L192-E287 HydrophobicContact CD2-CB 3.79Å; L192-E287 HydrophobicContact CD2-CG 3.78Å; L192-I290 HydrophobicContact CD1-CG2 4.29Å; L192-I290 HydrophobicContact CD2-CB 4.39Å; L192-I290 HydrophobicContact CD2-CG2 4.36Å; L192-I290 HydrophobicContact CG-CG2 4.46Å; L192-Q291 HydrophobicContact CD1-CG 4.36Å; L192-L294 HydrophobicContact CD1-CD1 4.44Å |
| 193 | L | 90.1 | Very high | 86.9 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 178.6 | 178.7 | 59.7 | 0 | 0 | 0 | 111.5 | D191 V195 A196 T197 I274 K277 V278 | D191-L193 PolarHBondContact O-N 3.35Å; D191-L193 WeakPolarHBondContact OD1-CB 3.32Å; D191-L193 PolarHBondContact OD1-N 2.93Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-A196 PolarHBondContact O-N 3.48Å; L193-T197 WeakPolarHBondContact O-CB 3.35Å; L193-T197 PolarHBondContact O-N 3.37Å; L193-T197 PolarHBondContact O-OG1 2.86Å; L193-I274 HydrophobicContact CD1-CB 4.37Å; L193-I274 HydrophobicContact CD1-CG1 4.34Å; L193-I274 HydrophobicContact CD1-CG2 4.05Å; L193-K277 HydrophobicContact CD1-CB 4.03Å; L193-K277 HydrophobicContact CD1-CG 4.15Å; L193-K277 HydrophobicContact CD2-CG 4.19Å; L193-V278 HydrophobicContact CD1-CG2 4.23Å; L193-V278 HydrophobicContact CD2-CG2 4.24Å |
| 194 | K | 91.1 | Very high | 87.1 | Confident | 133 Ų | 133 | 54.5 Ų | 54.5 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 175.4 | -179.6 | 178.6 | 179.9 | -178.9 | 0 | 112 | D191 T198 | D191-K194 HydrophobicContact CB-CB 4.14Å; D191-K194 PolarHBondContact O-N 2.9Å; D191-K194 PolarHBondContact OD1-N 3.46Å; D191-K194 VanDerWaalsContact OD2-CB 3.27Å; D191-K194 WeakPolarHBondContact OD2-CB 3.33Å; K194-T198 WeakPolarHBondContact O-CB 3.24Å; K194-T198 PolarHBondContact O-N 2.94Å; K194-T198 PolarHBondContact O-OG1 3.35Å |
| 195 | V | 92.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -52 | 176.3 | 165.7 | 0 | 0 | 0 | 0 | 110.6 | S182 A186 D191 L192 L193 T197 T198 A199 L294 | S182-V195 WeakPolarHBondContact O-CG1 3.48Å; S182-V195 WeakPolarHBondContact OG-CA 3.43Å; S182-V195 PolarHBondContact OG-O 2.99Å; A186-V195 HydrophobicContact CB-CG1 3.78Å; A186-V195 HydrophobicContact CB-CG2 4.48Å; D191-V195 WeakPolarHBondContact O-CG2 2.97Å; D191-V195 PolarHBondContact O-N 3.3Å; D191-V195 VanDerWaalsContact O-N 3.14Å; L192-V195 PolarHBondContact O-N 3.01Å; L193-V195 VanDerWaalsContact C-N 3.34Å; V195-T197 PolarHBondContact O-N 3.41Å; V195-T198 PolarHBondContact O-N 3.38Å; V195-A199 WeakPolarHBondContact O-CB 3.44Å; V195-A199 PolarHBondContact O-N 2.62Å; V195-L294 HydrophobicContact CG1-CD1 4.02Å |
| 196 | A | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L192 L193 T198 A199 T200 V270 Y273 I274 | L192-A196 VanDerWaalsContact O-CB 3.22Å; L192-A196 WeakPolarHBondContact O-CB 3.45Å; L192-A196 PolarHBondContact O-N 3.34Å; L193-A196 PolarHBondContact O-N 3.48Å; A196-T198 VanDerWaalsContact C-N 3.34Å; A196-T198 PolarHBondContact O-N 3.05Å; A196-A199 PolarHBondContact O-N 3.47Å; A196-T200 VanDerWaalsContact O-CB 3.31Å; A196-T200 WeakPolarHBondContact O-CB 3.34Å; A196-T200 PolarHBondContact O-N 2.92Å; A196-T200 PolarHBondContact O-OG1 3.32Å; A196-V270 HydrophobicContact CB-CG1 3.9Å; A196-Y273 HydrophobicContact CB-CD1 4.3Å; A196-Y273 HydrophobicContact CB-CE1 4.27Å; A196-I274 HydrophobicContact CB-CD1 3.99Å; A196-I274 HydrophobicContact CB-CG1 3.8Å |
| 197 | T | 94.5 | Very high | 89.5 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 36% | 0.356 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.7 | -45.7 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | L193 V195 L201 | L193-T197 WeakPolarHBondContact O-CB 3.35Å; L193-T197 PolarHBondContact O-N 3.37Å; L193-T197 PolarHBondContact O-OG1 2.86Å; V195-T197 PolarHBondContact O-N 3.41Å; T197-L201 WeakPolarHBondContact O-CB 3.36Å; T197-L201 PolarHBondContact O-N 3.19Å; T197-L201 VanDerWaalsContact O-N 3.11Å |
| 198 | T | 94.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 39 Ų | 39 | 27% | 0.27 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.3 | -42.5 | -179.2 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | Q178 K194 V195 A196 A202 | Q178-T198 HydrophobicContact CG-CG2 3.97Å; K194-T198 WeakPolarHBondContact O-CB 3.24Å; K194-T198 PolarHBondContact O-N 2.94Å; K194-T198 PolarHBondContact O-OG1 3.35Å; V195-T198 PolarHBondContact O-N 3.38Å; A196-T198 VanDerWaalsContact C-N 3.34Å; A196-T198 PolarHBondContact O-N 3.05Å; T198-A202 WeakPolarHBondContact O-CB 2.93Å; T198-A202 PolarHBondContact O-N 3.37Å; T198-A202 VanDerWaalsContact O-N 3.09Å |
| 199 | A | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68 | -46.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L179 V183 V195 A196 L201 A202 A203 L294 | L179-A199 HydrophobicContact CD1-CB 3.74Å; L179-A199 WeakPolarHBondContact CD1-O 3.39Å; V183-A199 HydrophobicContact CG2-CB 4.11Å; V195-A199 WeakPolarHBondContact O-CB 3.44Å; V195-A199 PolarHBondContact O-N 2.62Å; A196-A199 PolarHBondContact O-N 3.47Å; A199-L201 PolarHBondContact O-N 3.1Å; A199-A202 PolarHBondContact O-N 3.44Å; A199-A203 VanDerWaalsContact O-CB 3.22Å; A199-A203 WeakPolarHBondContact O-CB 3.3Å; A199-A203 PolarHBondContact O-N 3.17Å; A199-L294 HydrophobicContact CB-CD2 3.55Å |
| 200 | T | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 177.3 | -57 | 0 | 0 | 0 | 0 | 110.6 | A196 A202 A203 T204 V223 I227 L267 V270 A271 I274 | A196-T200 VanDerWaalsContact O-CB 3.31Å; A196-T200 WeakPolarHBondContact O-CB 3.34Å; A196-T200 PolarHBondContact O-N 2.92Å; A196-T200 PolarHBondContact O-OG1 3.32Å; T200-A202 PolarHBondContact O-N 3.38Å; T200-A203 PolarHBondContact O-N 3.03Å; T200-T204 WeakPolarHBondContact O-CB 3.47Å; T200-T204 PolarHBondContact O-N 3.38Å; T200-T204 PolarHBondContact O-OG1 3.22Å; T200-V223 HydrophobicContact CG2-CG1 3.56Å; T200-I227 HydrophobicContact CG2-CD1 4.19Å; T200-L267 HydrophobicContact CG2-CD1 3.73Å; T200-L267 HydrophobicContact CG2-CG 4.48Å; T200-V270 WeakPolarHBondContact OG1-CG1 3.31Å; T200-A271 HydrophobicContact CG2-CB 4.32Å; T200-I274 HydrophobicContact CG2-CD1 4.38Å; T200-I274 WeakPolarHBondContact OG1-CD1 3.28Å |
| 201 | L | 97.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 20.7 Ų | 20.7 | 19% | 0.194 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 176.7 | 176 | 60.5 | 0 | 0 | 0 | 112.2 | T197 A199 T204 C205 A218 V223 | T197-L201 WeakPolarHBondContact O-CB 3.36Å; T197-L201 PolarHBondContact O-N 3.19Å; T197-L201 VanDerWaalsContact O-N 3.11Å; A199-L201 PolarHBondContact O-N 3.1Å; L201-T204 PolarHBondContact O-N 3.44Å; L201-C205 PolarHBondContact O-N 3.15Å; L201-C205 VanDerWaalsContact O-N 3.1Å; L201-C205 PolarHBondContact O-SG 3.08Å; L201-A218 HydrophobicContact CD1-CB 4.23Å; L201-A218 WeakPolarHBondContact CD1-O 3.44Å; L201-V223 HydrophobicContact CB-CG2 4.2Å; L201-V223 HydrophobicContact CD1-CG2 3.59Å |
| 202 | A | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V175 Q178 L179 T198 A199 T200 C205 L206 | V175-A202 HydrophobicContact CG1-CB 4.02Å; V175-A202 WeakPolarHBondContact CG1-O 3.46Å; Q178-A202 HydrophobicContact CB-CB 4.37Å; Q178-A202 HydrophobicContact CG-CB 4.21Å; L179-A202 HydrophobicContact CB-CB 3.94Å; T198-A202 WeakPolarHBondContact O-CB 2.93Å; T198-A202 PolarHBondContact O-N 3.37Å; T198-A202 VanDerWaalsContact O-N 3.09Å; A199-A202 PolarHBondContact O-N 3.44Å; T200-A202 PolarHBondContact O-N 3.38Å; A202-C205 PolarHBondContact O-N 2.97Å; A202-L206 WeakPolarHBondContact O-CB 3.5Å; A202-L206 PolarHBondContact O-N 3.47Å |
| 203 | A | 98 | Very high | 95 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L179 A199 T200 C205 L206 F207 L267 I297 | L179-A203 HydrophobicContact CD1-CB 4.23Å; L179-A203 HydrophobicContact CD2-CB 4.32Å; A199-A203 VanDerWaalsContact O-CB 3.22Å; A199-A203 WeakPolarHBondContact O-CB 3.3Å; A199-A203 PolarHBondContact O-N 3.17Å; T200-A203 PolarHBondContact O-N 3.03Å; A203-C205 VanDerWaalsContact C-N 3.32Å; A203-C205 PolarHBondContact O-N 3.14Å; A203-L206 PolarHBondContact O-N 3.29Å; A203-F207 HydrophobicContact CB-CD2 4.3Å; A203-F207 HydrophobicContact CB-CE2 3.96Å; A203-F207 WeakPolarHBondContact O-CB 3.44Å; A203-F207 WeakPolarHBondContact O-CD2 3.32Å; A203-F207 WeakPolarHBondContact O-CG 3.41Å; A203-F207 PolarHBondContact O-N 3.39Å; A203-L267 HydrophobicContact CB-CD1 3.81Å; A203-I297 HydrophobicContact CB-CG2 3.38Å |
| 204 | T | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.3 | -44.2 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | T200 L201 A208 L226 I227 L230 | T200-T204 WeakPolarHBondContact O-CB 3.47Å; T200-T204 PolarHBondContact O-N 3.38Å; T200-T204 PolarHBondContact O-OG1 3.22Å; L201-T204 PolarHBondContact O-N 3.44Å; T204-A208 VanDerWaalsContact O-CB 3.23Å; T204-A208 WeakPolarHBondContact O-CB 3.4Å; T204-A208 PolarHBondContact O-N 3.45Å; T204-L226 HydrophobicContact CG2-CB 3.4Å; T204-L226 VanDerWaalsContact CG2-CB 3.4Å; T204-L226 HydrophobicContact CG2-CD1 4Å; T204-L226 HydrophobicContact CG2-CG 4.27Å; T204-I227 HydrophobicContact CG2-CG1 4.5Å; T204-L230 HydrophobicContact CG2-CD1 4.07Å |
| 205 | C | 97.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 11.2 Ų | 11.2 | 6% | 0.061 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | 176.9 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | V175 L201 A202 A203 A208 Q209 V216 | V175-C205 HydrophobicContact CG1-CB 4.32Å; L201-C205 PolarHBondContact O-N 3.15Å; L201-C205 VanDerWaalsContact O-N 3.1Å; L201-C205 PolarHBondContact O-SG 3.08Å; A202-C205 PolarHBondContact O-N 2.97Å; A203-C205 VanDerWaalsContact C-N 3.32Å; A203-C205 PolarHBondContact O-N 3.14Å; C205-A208 PolarHBondContact O-N 3.12Å; C205-Q209 PolarHBondContact O-N 3.47Å; C205-V216 WeakPolarHBondContact CB-O 3.28Å |
| 206 | L | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65.2 | -46.6 | 178.4 | -175.5 | 61.7 | 0 | 0 | 0 | 111.7 | A172 V175 L179 A202 A203 A208 Q209 I210 R305 | A172-L206 HydrophobicContact CB-CD1 4.39Å; V175-L206 HydrophobicContact CG1-CB 3.91Å; L179-L206 HydrophobicContact CD2-CD2 4.41Å; A202-L206 WeakPolarHBondContact O-CB 3.5Å; A202-L206 PolarHBondContact O-N 3.47Å; A203-L206 PolarHBondContact O-N 3.29Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-Q209 WeakPolarHBondContact O-CB 3.34Å; L206-Q209 PolarHBondContact O-N 2.9Å; L206-I210 HydrophobicContact CG-CD1 4.05Å; L206-I210 WeakPolarHBondContact O-CD1 3.47Å; L206-I210 WeakPolarHBondContact O-CG1 3.48Å; L206-I210 PolarHBondContact O-N 2.63Å; L206-R305 HydrophobicContact CD1-CB 4.26Å; L206-R305 HydrophobicContact CD1-CG 4.19Å |
| 207 | F | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.9 | -36.3 | 176.8 | -63.2 | -44.4 | 0 | 0 | 0 | 111.9 | A203 Q209 I210 I211 L230 L258 V263 L264 L267 I297 V300 | A203-F207 HydrophobicContact CB-CD2 4.3Å; A203-F207 HydrophobicContact CB-CE2 3.96Å; A203-F207 WeakPolarHBondContact O-CB 3.44Å; A203-F207 WeakPolarHBondContact O-CD2 3.32Å; A203-F207 WeakPolarHBondContact O-CG 3.41Å; A203-F207 PolarHBondContact O-N 3.39Å; F207-Q209 VanDerWaalsContact C-N 3.26Å; F207-Q209 PolarHBondContact O-N 2.88Å; F207-I210 HydrophobicContact CD1-CD1 3.69Å; F207-I210 HydrophobicContact CE1-CD1 4.28Å; F207-I210 PolarHBondContact O-N 3.24Å; F207-I211 WeakPolarHBondContact O-CG1 3.35Å; F207-I211 PolarHBondContact O-N 3.27Å; F207-L230 HydrophobicContact CB-CD1 4.05Å; F207-L230 HydrophobicContact CB-CD2 4.08Å; F207-L258 HydrophobicContact CD1-CD1 3.67Å; F207-L258 HydrophobicContact CE1-CD1 3.97Å; F207-L258 HydrophobicContact CG-CD1 4.24Å; F207-V263 HydrophobicContact CE1-CG1 4.16Å; F207-V263 HydrophobicContact CE2-CG1 4.16Å; F207-V263 HydrophobicContact CE2-CG2 4.05Å; F207-V263 HydrophobicContact CZ-CB 4.43Å; F207-V263 HydrophobicContact CZ-CG1 3.84Å; F207-V263 HydrophobicContact CZ-CG2 3.66Å; F207-L264 HydrophobicContact CD2-CD2 4.24Å; F207-L267 HydrophobicContact CD2-CD2 3.98Å; F207-L267 HydrophobicContact CE2-CD2 4.37Å; F207-I297 HydrophobicContact CE2-CG2 4.06Å; F207-I297 HydrophobicContact CZ-CG2 4.22Å; F207-V300 HydrophobicContact CE1-CG1 4.33Å |
| 208 | A | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T204 C205 L206 I211 N212 V216 W229 L230 | T204-A208 VanDerWaalsContact O-CB 3.23Å; T204-A208 WeakPolarHBondContact O-CB 3.4Å; T204-A208 PolarHBondContact O-N 3.45Å; C205-A208 PolarHBondContact O-N 3.12Å; L206-A208 VanDerWaalsContact C-N 3.34Å; A208-I211 PolarHBondContact O-N 3.02Å; A208-N212 WeakPolarHBondContact O-CB 3.45Å; A208-N212 PolarHBondContact O-N 3.06Å; A208-V216 HydrophobicContact CB-CB 3.94Å; A208-V216 HydrophobicContact CB-CG1 4.29Å; A208-V216 HydrophobicContact CB-CG2 3.95Å; A208-W229 HydrophobicContact CB-CH2 4.46Å; A208-W229 HydrophobicContact CB-CZ3 3.75Å; A208-L230 HydrophobicContact CB-CD2 4.09Å |
| 209 | Q | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.2 | 178 | 168.8 | 2.5 | 0 | 0 | 112.8 | A168 C205 L206 F207 I211 N212 G213 W214 L308 Y309 | A168-Q209 PolarHBondContact O-NE2 3.36Å; C205-Q209 PolarHBondContact O-N 3.47Å; L206-Q209 WeakPolarHBondContact O-CB 3.34Å; L206-Q209 PolarHBondContact O-N 2.9Å; F207-Q209 VanDerWaalsContact C-N 3.26Å; F207-Q209 PolarHBondContact O-N 2.88Å; Q209-I211 VanDerWaalsContact C-N 3.27Å; Q209-I211 PolarHBondContact O-N 3.47Å; Q209-N212 PolarHBondContact O-N 3.42Å; Q209-G213 VanDerWaalsContact O-CA 3.26Å; Q209-G213 WeakPolarHBondContact O-CA 3.11Å; Q209-G213 PolarHBondContact O-N 2.83Å; Q209-W214 WeakPolarHBondContact CA-O 3.5Å; Q209-L308 HydrophobicContact CG-CD2 3.94Å; Q209-Y309 PolarHBondContact NE2-OH 2.88Å |
| 210 | I | 94.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 176 | -68.5 | 153.1 | 0 | 0 | 0 | 110.5 | L206 F207 H251 A254 L255 L258 C304 L308 | L206-I210 HydrophobicContact CG-CD1 4.05Å; L206-I210 WeakPolarHBondContact O-CD1 3.47Å; L206-I210 WeakPolarHBondContact O-CG1 3.48Å; L206-I210 PolarHBondContact O-N 2.63Å; F207-I210 HydrophobicContact CD1-CD1 3.69Å; F207-I210 HydrophobicContact CE1-CD1 4.28Å; F207-I210 PolarHBondContact O-N 3.24Å; I210-H251 PolarHBondContact O-CD2 2.93Å; I210-H251 PolarHBondContact O-NE2 3.13Å; I210-H251 VanDerWaalsContact O-NE2 3.08Å; I210-A254 HydrophobicContact CG2-CB 4.16Å; I210-L255 WeakPolarHBondContact O-CD2 3.41Å; I210-L258 HydrophobicContact CB-CD2 4.5Å; I210-L258 HydrophobicContact CG2-CB 4.39Å; I210-L258 HydrophobicContact CG2-CD2 3.98Å; I210-C304 HydrophobicContact CD1-CB 3.23Å; I210-C304 HydrophobicContact CG1-CB 3.84Å; I210-C304 HydrophobicContact CG2-CB 4.16Å; I210-L308 HydrophobicContact CG1-CD2 4.47Å |
| 211 | I | 94.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67 | -57 | 175.9 | -69.4 | -172.6 | 0 | 0 | 0 | 109.8 | F207 A208 Q209 W229 L230 A233 L234 K237 H251 L255 L258 | F207-I211 WeakPolarHBondContact O-CG1 3.35Å; F207-I211 PolarHBondContact O-N 3.27Å; A208-I211 PolarHBondContact O-N 3.02Å; Q209-I211 VanDerWaalsContact C-N 3.27Å; Q209-I211 PolarHBondContact O-N 3.47Å; I211-W229 HydrophobicContact CB-CH2 4.44Å; I211-W229 HydrophobicContact CG2-CH2 4.01Å; I211-W229 HydrophobicContact CG2-CZ2 4.49Å; I211-L230 HydrophobicContact CD1-CB 4.38Å; I211-L230 HydrophobicContact CD1-CD2 3.6Å; I211-L230 HydrophobicContact CG1-CD2 4.37Å; I211-A233 HydrophobicContact CD1-CB 4.25Å; I211-A233 HydrophobicContact CG2-CB 3.78Å; I211-L234 HydrophobicContact CD1-CB 4.19Å; I211-L234 HydrophobicContact CD1-CD1 4.27Å; I211-L234 HydrophobicContact CG1-CD1 4.47Å; I211-K237 HydrophobicContact CG2-CD 3.97Å; I211-K237 VanDerWaalsContact CG2-CE 3.43Å; I211-K237 PolarHBondContact O-NZ 3.41Å; I211-H251 PolarHBondContact O-NE2 2.79Å; I211-L255 HydrophobicContact CG1-CD2 4.39Å; I211-L258 HydrophobicContact CD1-CD2 4.14Å; I211-L258 HydrophobicContact CG1-CD2 3.72Å |
| 212 | N | 90.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 16.1 Ų | 16.1 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -82.3 | -16.6 | -169.8 | -69.8 | -19 | 0 | 0 | 0 | 115 | G11 A208 Q209 W214 W229 | G11-N212 PolarHBondContact O-ND2 2.9Å; A208-N212 WeakPolarHBondContact O-CB 3.45Å; A208-N212 PolarHBondContact O-N 3.06Å; Q209-N212 PolarHBondContact O-N 3.42Å; N212-W214 PolarHBondContact O-N 2.8Å; N212-W229 WeakPolarHBondContact ND2-CH2 3.41Å; N212-W229 WeakPolarHBondContact OD1-CH2 3.24Å; N212-W229 WeakPolarHBondContact OD1-CZ2 3.43Å |
| 213 | G | 90.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 16.6 Ų | 16.6 | 17% | 0.165 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 78.2 | -6.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q209 Y309 | Q209-G213 VanDerWaalsContact O-CA 3.26Å; Q209-G213 WeakPolarHBondContact O-CA 3.11Å; Q209-G213 PolarHBondContact O-N 2.83Å; G213-Y309 PolarHBondContact O-OH 3.04Å |
| 214 | W | 93.4 | Very high | 95 | Very high | 41 Ų | 41 | 19.6 Ų | 19.6 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -127.5 | 143.5 | -178 | -63.9 | 106.1 | 0 | 0 | 0 | 110.6 | L7 R10 E164 A168 Q209 N212 | L7-W214 HydrophobicContact CD2-CE3 3.69Å; L7-W214 HydrophobicContact CD2-CH2 4.46Å; L7-W214 HydrophobicContact CD2-CZ3 3.49Å; L7-W214 VanDerWaalsContact CD2-CZ3 3.49Å; R10-W214 HydrophobicContact CG-CD2 4.39Å; R10-W214 HydrophobicContact CG-CG 4.07Å; R10-W214 VanDerWaalsContact NE-CE2 3.32Å; E164-W214 HydrophobicContact CB-CH2 4.35Å; E164-W214 HydrophobicContact CB-CZ3 4.25Å; A168-W214 HydrophobicContact CB-CE3 4.38Å; A168-W214 HydrophobicContact CB-CZ3 4.44Å; Q209-W214 WeakPolarHBondContact CA-O 3.5Å; N212-W214 PolarHBondContact O-N 2.8Å |
| 215 | P | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.013 | 13% | 0.133 | C | C | . | . | trans | -62 | 146.4 | -175.6 | 28.6 | -35.8 | 0 | 0 | 0 | 111.2 | L7 L8 A168 L171 | L7-P215 HydrophobicContact CB-CG 3.82Å; L8-P215 WeakPolarHBondContact CA-O 3.28Å; L8-P215 HydrophobicContact CD2-CB 3.94Å; L8-P215 HydrophobicContact CD2-CG 4.31Å; A168-P215 HydrophobicContact CB-CG 4.49Å; L171-P215 HydrophobicContact CB-CB 4.18Å; L171-P215 HydrophobicContact CD1-CB 4.06Å; L171-P215 HydrophobicContact CD1-CG 3.74Å | ||
| 216 | V | 95.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | trans | -126.8 | 147.9 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | I12 I15 C205 A208 | I12-V216 HydrophobicContact CG1-CG1 4.13Å; I15-V216 HydrophobicContact CD1-CG1 4.32Å; C205-V216 WeakPolarHBondContact CB-O 3.28Å; A208-V216 HydrophobicContact CB-CB 3.94Å; A208-V216 HydrophobicContact CB-CG1 4.29Å; A208-V216 HydrophobicContact CB-CG2 3.95Å | ||
| 217 | T | 95.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 9% | 0.092 | 13% | 0.131 | C | C | . | . | trans | -131.2 | 150.4 | 172.2 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | L8 I12 L28 Y32 | L8-T217 HydrophobicContact CB-CG2 4.46Å; L8-T217 HydrophobicContact CD1-CG2 4.09Å; L8-T217 HydrophobicContact CD2-CG2 3.96Å; L8-T217 HydrophobicContact CG-CG2 4.41Å; I12-T217 HydrophobicContact CD1-CG2 4.35Å; L28-T217 HydrophobicContact CD1-CG2 3.81Å; Y32-T217 HydrophobicContact CD2-CG2 4.3Å; Y32-T217 HydrophobicContact CE2-CG2 3.62Å; Y32-T217 PolarHBondContact OH-OG1 3.16Å | ||
| 218 | A | 95.5 | Very high | 94.7 | Very high | 6 Ų | 6 | 28 Ų | 28 | 5% | 0.05 | 16% | 0.156 | C | C | . | . | trans | -150.8 | 151.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 L201 L226 | L24-A218 HydrophobicContact CD2-CB 3.52Å; L201-A218 HydrophobicContact CD1-CB 4.23Å; L201-A218 WeakPolarHBondContact CD1-O 3.44Å; A218-L226 HydrophobicContact CB-CD1 3.32Å | ||
| 219 | P | 94.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 15% | 0.149 | 16% | 0.157 | C | C | . | . | trans | -75.9 | 151.3 | 162.4 | 32.8 | -29.7 | 0 | 0 | 0 | 110 | H27 K221 C222 | H27-P219 HydrophobicContact CB-CG 4.16Å; P219-K221 HydrophobicContact CB-CG 4.1Å; P219-K221 HydrophobicContact CG-CG 3.93Å; P219-K221 PolarHBondContact O-N 3.35Å; P219-C222 HydrophobicContact CG-CB 4.2Å; P219-C222 PolarHBondContact O-N 2.93Å | ||
| 220 | G | 92.9 | Very high | 94.8 | Very high | 40 Ų | 40 | 28 Ų | 28 | 41% | 0.412 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -53.5 | -31.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C222 V223 | G220-C222 PolarHBondContact O-N 3.38Å; G220-V223 WeakPolarHBondContact O-CB 3.31Å; G220-V223 VanDerWaalsContact O-CG2 3.31Å; G220-V223 WeakPolarHBondContact O-CG2 3.48Å; G220-V223 PolarHBondContact O-N 2.82Å |
| 221 | K | 93.6 | Very high | 94.8 | Very high | 158 Ų | 158 | 30.4 Ų | 30.4 | 69% | 0.687 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -63.3 | -24.1 | 177.9 | 67.8 | 176.2 | -174.7 | 169.3 | 0 | 114.6 | P219 | P219-K221 HydrophobicContact CB-CG 4.1Å; P219-K221 HydrophobicContact CG-CG 3.93Å; P219-K221 PolarHBondContact O-N 3.35Å |
| 222 | C | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -92.6 | -0.6 | -179.1 | -64 | 0 | 0 | 0 | 0 | 112.8 | L20 Q23 L24 P219 G220 E225 L226 | L20-C222 HydrophobicContact CD1-CB 3.89Å; Q23-C222 PolarHBondContact OE1-SG 3.11Å; L24-C222 HydrophobicContact CD2-CB 4.16Å; P219-C222 HydrophobicContact CG-CB 4.2Å; P219-C222 PolarHBondContact O-N 2.93Å; G220-C222 PolarHBondContact O-N 3.38Å; C222-E225 WeakPolarHBondContact CA-OE2 3.47Å; C222-E225 PolarHBondContact O-N 3.05Å; C222-L226 HydrophobicContact CB-CD1 4.41Å; C222-L226 WeakPolarHBondContact O-CB 3.47Å; C222-L226 WeakPolarHBondContact O-CG 3.33Å; C222-L226 PolarHBondContact O-N 3.34Å |
| 223 | V | 95.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | -177.4 | 168.8 | 0 | 0 | 0 | 0 | 112.4 | T200 L201 G220 L226 I227 | T200-V223 HydrophobicContact CG2-CG1 3.56Å; L201-V223 HydrophobicContact CB-CG2 4.2Å; L201-V223 HydrophobicContact CD1-CG2 3.59Å; G220-V223 WeakPolarHBondContact O-CB 3.31Å; G220-V223 VanDerWaalsContact O-CG2 3.31Å; G220-V223 WeakPolarHBondContact O-CG2 3.48Å; G220-V223 PolarHBondContact O-N 2.82Å; V223-L226 PolarHBondContact O-N 3.24Å; V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.36Å; V223-I227 VanDerWaalsContact O-CG1 3.29Å; V223-I227 WeakPolarHBondContact O-CG1 3.45Å; V223-I227 PolarHBondContact O-N 3.27Å |
| 224 | P | 94.7 | Very high | 95 | Very high | 62 Ų | 62 | 34.4 Ų | 34.4 | 40% | 0.403 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59 | -49.8 | 178 | -25.1 | 35.8 | 0 | 0 | 0 | 112.6 | L226 I227 D228 | P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3Å; P224-I227 WeakPolarHBondContact O-CB 3.33Å; P224-I227 PolarHBondContact O-N 3.16Å; P224-D228 PolarHBondContact O-N 2.92Å |
| 225 | E | 95.5 | Very high | 94.8 | Very high | 84 Ų | 84 | 39 Ų | 39 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -33.5 | -179.6 | -61.9 | 134.2 | 167.9 | 0 | 0 | 111.7 | L20 C222 W229 | L20-E225 HydrophobicContact CD1-CB 4.11Å; L20-E225 HydrophobicContact CD2-CB 4.21Å; C222-E225 WeakPolarHBondContact CA-OE2 3.47Å; C222-E225 PolarHBondContact O-N 3.05Å; E225-W229 WeakPolarHBondContact O-CB 3.36Å; E225-W229 PolarHBondContact O-N 3.14Å |
| 226 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68 | -37 | 172.5 | -82.3 | 167 | 0 | 0 | 0 | 112.5 | I15 L20 L24 T204 A218 C222 V223 P224 W229 L230 | I15-L226 HydrophobicContact CD1-CD2 3.91Å; L20-L226 HydrophobicContact CD1-CG 4.28Å; L20-L226 HydrophobicContact CD2-CD2 3.95Å; L20-L226 HydrophobicContact CD2-CG 4.1Å; L24-L226 HydrophobicContact CD1-CD2 4.04Å; L24-L226 HydrophobicContact CD2-CD1 4.24Å; T204-L226 HydrophobicContact CG2-CB 3.4Å; T204-L226 VanDerWaalsContact CG2-CB 3.4Å; T204-L226 HydrophobicContact CG2-CD1 4Å; T204-L226 HydrophobicContact CG2-CG 4.27Å; A218-L226 HydrophobicContact CB-CD1 3.32Å; C222-L226 HydrophobicContact CB-CD1 4.41Å; C222-L226 WeakPolarHBondContact O-CB 3.47Å; C222-L226 WeakPolarHBondContact O-CG 3.33Å; C222-L226 PolarHBondContact O-N 3.34Å; V223-L226 PolarHBondContact O-N 3.24Å; P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 PolarHBondContact O-N 3Å; L226-W229 HydrophobicContact CD2-CE3 4.23Å; L226-W229 PolarHBondContact O-N 3.4Å; L226-L230 VanDerWaalsContact O-CG 3.25Å; L226-L230 WeakPolarHBondContact O-CG 3.45Å; L226-L230 PolarHBondContact O-N 3.37Å |
| 227 | I | 97 | Very high | 93.7 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 175.8 | -70.6 | 166.7 | 0 | 0 | 0 | 109.8 | T200 T204 V223 P224 W229 L230 F231 L267 A271 | T200-I227 HydrophobicContact CG2-CD1 4.19Å; T204-I227 HydrophobicContact CG2-CG1 4.5Å; V223-I227 HydrophobicContact CG1-CD1 3.78Å; V223-I227 HydrophobicContact CG1-CG1 4.36Å; V223-I227 VanDerWaalsContact O-CG1 3.29Å; V223-I227 WeakPolarHBondContact O-CG1 3.45Å; V223-I227 PolarHBondContact O-N 3.27Å; P224-I227 WeakPolarHBondContact O-CB 3.33Å; P224-I227 PolarHBondContact O-N 3.16Å; I227-W229 VanDerWaalsContact C-N 3.31Å; I227-W229 PolarHBondContact O-N 3.15Å; I227-L230 WeakPolarHBondContact O-CB 3.37Å; I227-L230 PolarHBondContact O-N 3.3Å; I227-L230 VanDerWaalsContact O-N 3.12Å; I227-F231 HydrophobicContact CG2-CD2 4.08Å; I227-F231 HydrophobicContact CG2-CE2 3.8Å; I227-F231 VanDerWaalsContact O-CD2 3.27Å; I227-F231 WeakPolarHBondContact O-CD2 3.38Å; I227-F231 PolarHBondContact O-N 2.78Å; I227-F231 VanDerWaalsContact O-N 3.15Å; I227-L267 HydrophobicContact CD1-CD2 4.33Å; I227-L267 HydrophobicContact CD1-CG 3.95Å; I227-L267 HydrophobicContact CG1-CD2 3.87Å; I227-L267 HydrophobicContact CG1-CG 4.04Å; I227-A271 HydrophobicContact CD1-CB 3.47Å; I227-A271 VanDerWaalsContact CD1-CB 3.47Å |
| 228 | D | 95.9 | Very high | 92.5 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.2 | -46 | 175 | -67.2 | -25.4 | 0 | 0 | 0 | 111 | P224 L230 F231 E232 | P224-D228 PolarHBondContact O-N 2.92Å; D228-L230 VanDerWaalsContact C-N 3.35Å; D228-L230 PolarHBondContact O-N 2.93Å; D228-F231 PolarHBondContact O-N 2.99Å; D228-E232 PolarHBondContact O-N 3Å; D228-E232 VanDerWaalsContact O-N 3.16Å |
| 229 | W | 96.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.011 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 174.6 | 173.6 | 74.6 | 0 | 0 | 0 | 112.9 | I15 N16 H17 L20 A208 I211 N212 E225 L226 I227 F231 E232 A233 | I15-W229 HydrophobicContact CG1-CD2 4.23Å; I15-W229 HydrophobicContact CG1-CE3 4.49Å; I15-W229 HydrophobicContact CG1-CH2 4.2Å; I15-W229 HydrophobicContact CG1-CZ2 3.87Å; I15-W229 HydrophobicContact CG1-CZ3 4.46Å; I15-W229 HydrophobicContact CG2-CD2 4.2Å; I15-W229 HydrophobicContact CG2-CG 4.09Å; N16-W229 PolarHBondContact OD1-NE1 2.98Å; H17-W229 AromaticContact CD2-CD1 3.61Å; L20-W229 HydrophobicContact CD2-CB 4.31Å; A208-W229 HydrophobicContact CB-CH2 4.46Å; A208-W229 HydrophobicContact CB-CZ3 3.75Å; I211-W229 HydrophobicContact CB-CH2 4.44Å; I211-W229 HydrophobicContact CG2-CH2 4.01Å; I211-W229 HydrophobicContact CG2-CZ2 4.49Å; N212-W229 WeakPolarHBondContact ND2-CH2 3.41Å; N212-W229 WeakPolarHBondContact OD1-CH2 3.24Å; N212-W229 WeakPolarHBondContact OD1-CZ2 3.43Å; E225-W229 WeakPolarHBondContact O-CB 3.36Å; E225-W229 PolarHBondContact O-N 3.14Å; L226-W229 HydrophobicContact CD2-CE3 4.23Å; L226-W229 PolarHBondContact O-N 3.4Å; I227-W229 VanDerWaalsContact C-N 3.31Å; I227-W229 PolarHBondContact O-N 3.15Å; W229-F231 VanDerWaalsContact C-N 3.31Å; W229-F231 PolarHBondContact O-N 3.34Å; W229-E232 PolarHBondContact O-N 3.43Å; W229-A233 HydrophobicContact CD2-CB 4.3Å; W229-A233 HydrophobicContact CH2-CB 4.2Å; W229-A233 HydrophobicContact CZ2-CB 3.75Å; W229-A233 WeakPolarHBondContact O-CB 3.49Å; W229-A233 PolarHBondContact O-N 3.16Å |
| 230 | L | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 176.7 | -73.6 | 172.5 | 0 | 0 | 0 | 111 | T204 F207 A208 I211 L226 I227 D228 L234 L264 L267 | T204-L230 HydrophobicContact CG2-CD1 4.07Å; F207-L230 HydrophobicContact CB-CD1 4.05Å; F207-L230 HydrophobicContact CB-CD2 4.08Å; A208-L230 HydrophobicContact CB-CD2 4.09Å; I211-L230 HydrophobicContact CD1-CB 4.38Å; I211-L230 HydrophobicContact CD1-CD2 3.6Å; I211-L230 HydrophobicContact CG1-CD2 4.37Å; L226-L230 VanDerWaalsContact O-CG 3.25Å; L226-L230 WeakPolarHBondContact O-CG 3.45Å; L226-L230 PolarHBondContact O-N 3.37Å; I227-L230 WeakPolarHBondContact O-CB 3.37Å; I227-L230 PolarHBondContact O-N 3.3Å; I227-L230 VanDerWaalsContact O-N 3.12Å; D228-L230 VanDerWaalsContact C-N 3.35Å; D228-L230 PolarHBondContact O-N 2.93Å; L230-L234 VanDerWaalsContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CB 3.42Å; L230-L234 PolarHBondContact O-N 2.97Å; L230-L264 HydrophobicContact CB-CD1 4.19Å; L230-L264 HydrophobicContact CB-CD2 4.23Å; L230-L264 HydrophobicContact CD1-CD2 4.1Å; L230-L267 HydrophobicContact CD1-CD2 3.97Å |
| 231 | F | 95.5 | Very high | 87.6 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 176.2 | -80.6 | -74.5 | 0 | 0 | 0 | 112.1 | I227 D228 W229 K235 L264 | I227-F231 HydrophobicContact CG2-CD2 4.08Å; I227-F231 HydrophobicContact CG2-CE2 3.8Å; I227-F231 VanDerWaalsContact O-CD2 3.27Å; I227-F231 WeakPolarHBondContact O-CD2 3.38Å; I227-F231 PolarHBondContact O-N 2.78Å; I227-F231 VanDerWaalsContact O-N 3.15Å; D228-F231 PolarHBondContact O-N 2.99Å; W229-F231 VanDerWaalsContact C-N 3.31Å; W229-F231 PolarHBondContact O-N 3.34Å; F231-K235 VanDerWaalsContact O-CG 3.28Å; F231-K235 WeakPolarHBondContact O-CG 3.5Å; F231-K235 PolarHBondContact O-N 3.22Å; F231-K235 VanDerWaalsContact O-N 3.12Å; F231-L264 HydrophobicContact CD1-CB 4.2Å; F231-L264 HydrophobicContact CD1-CD1 4.18Å; F231-L264 HydrophobicContact CE1-CB 3.61Å; F231-L264 HydrophobicContact CE1-CD1 4.42Å; F231-L264 HydrophobicContact CE2-CB 4.14Å; F231-L264 HydrophobicContact CG-CD1 4.45Å; F231-L264 VanDerWaalsContact CZ-C 3.48Å; F231-L264 HydrophobicContact CZ-CB 3.58Å; F231-L264 WeakPolarHBondContact CZ-O 3.44Å |
| 232 | E | 94.2 | Very high | 85.6 | Confident | 92 Ų | 92 | 53 Ų | 53 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 178.3 | -67.3 | -180 | 176.4 | 0 | 0 | 112.4 | H17 D228 W229 L234 K235 S236 | H17-E232 IonicContact CD2-OE2 3.34Å; H17-E232 IonicContact CE1-OE2 3.61Å; H17-E232 IonicContact NE2-OE2 2.88Å; H17-E232 PolarHBondContact NE2-OE2 3.01Å; D228-E232 PolarHBondContact O-N 3Å; D228-E232 VanDerWaalsContact O-N 3.16Å; W229-E232 PolarHBondContact O-N 3.43Å; E232-L234 VanDerWaalsContact C-N 3.34Å; E232-L234 PolarHBondContact O-N 3.32Å; E232-K235 PolarHBondContact O-N 3.05Å; E232-S236 PolarHBondContact O-N 3.38Å; E232-S236 PolarHBondContact O-OG 3.34Å |
| 233 | A | 93.2 | Very high | 83.4 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -35.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I211 W229 S236 K237 | I211-A233 HydrophobicContact CD1-CB 4.25Å; I211-A233 HydrophobicContact CG2-CB 3.78Å; W229-A233 HydrophobicContact CD2-CB 4.3Å; W229-A233 HydrophobicContact CH2-CB 4.2Å; W229-A233 HydrophobicContact CZ2-CB 3.75Å; W229-A233 WeakPolarHBondContact O-CB 3.49Å; W229-A233 PolarHBondContact O-N 3.16Å; A233-S236 WeakPolarHBondContact CA-OG 3.3Å; A233-S236 PolarHBondContact O-OG 3.06Å; A233-K237 WeakPolarHBondContact O-CG 3.41Å; A233-K237 PolarHBondContact O-N 3.01Å |
| 234 | L | 92.1 | Very high | 81.2 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.3 | -41.1 | 175.8 | -164 | 66.5 | 0 | 0 | 0 | 111.6 | I211 L230 E232 K237 T238 L258 Q259 L264 | I211-L234 HydrophobicContact CD1-CB 4.19Å; I211-L234 HydrophobicContact CD1-CD1 4.27Å; I211-L234 HydrophobicContact CG1-CD1 4.47Å; L230-L234 VanDerWaalsContact O-CB 3.26Å; L230-L234 WeakPolarHBondContact O-CB 3.42Å; L230-L234 PolarHBondContact O-N 2.97Å; E232-L234 VanDerWaalsContact C-N 3.34Å; E232-L234 PolarHBondContact O-N 3.32Å; L234-K237 PolarHBondContact O-N 3.04Å; L234-T238 PolarHBondContact O-N 3.42Å; L234-T238 PolarHBondContact O-OG1 3.14Å; L234-L258 HydrophobicContact CD1-CD2 4.02Å; L234-L258 HydrophobicContact CD1-CG 4.15Å; L234-L258 HydrophobicContact CD2-CG 4.39Å; L234-Q259 HydrophobicContact CD1-CG 3.56Å; L234-Q259 HydrophobicContact CD2-CG 4.43Å; L234-Q259 HydrophobicContact CG-CG 3.95Å; L234-L264 HydrophobicContact CB-CD1 4.42Å; L234-L264 HydrophobicContact CD2-CD1 3.65Å |
| 235 | K | 89.4 | Confident | 79.1 | Confident | 139 Ų | 139 | 67.8 Ų | 67.8 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60 | -51.9 | 175.6 | -74.7 | 172.4 | -176.3 | 176.4 | 0 | 111.5 | F231 E232 K237 T238 E239 | F231-K235 VanDerWaalsContact O-CG 3.28Å; F231-K235 WeakPolarHBondContact O-CG 3.5Å; F231-K235 PolarHBondContact O-N 3.22Å; F231-K235 VanDerWaalsContact O-N 3.12Å; E232-K235 PolarHBondContact O-N 3.05Å; K235-K237 VanDerWaalsContact C-N 3.31Å; K235-K237 PolarHBondContact O-N 3.49Å; K235-T238 WeakPolarHBondContact O-CB 3.39Å; K235-T238 PolarHBondContact O-N 3.02Å; K235-T238 VanDerWaalsContact O-N 3.14Å; K235-E239 PolarHBondContact O-N 3.45Å |
| 236 | S | 86.1 | Confident | 77 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 179.6 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | E232 A233 E239 L240 | E232-S236 PolarHBondContact O-N 3.38Å; E232-S236 PolarHBondContact O-OG 3.34Å; A233-S236 WeakPolarHBondContact CA-OG 3.3Å; A233-S236 PolarHBondContact O-OG 3.06Å; S236-E239 PolarHBondContact O-N 3.07Å; S236-L240 PolarHBondContact O-N 3.49Å |
| 237 | K | 82.5 | Confident | 75.1 | Confident | 30 Ų | 30 | 71.5 Ų | 71.5 | 13% | 0.13 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.5 | -31.8 | 176.9 | -74.2 | -177 | -167.2 | -136.7 | 0 | 113.6 | I211 A233 L234 K235 E239 L240 E241 L255 | I211-K237 HydrophobicContact CG2-CD 3.97Å; I211-K237 VanDerWaalsContact CG2-CE 3.43Å; I211-K237 PolarHBondContact O-NZ 3.41Å; A233-K237 WeakPolarHBondContact O-CG 3.41Å; A233-K237 PolarHBondContact O-N 3.01Å; L234-K237 PolarHBondContact O-N 3.04Å; K235-K237 VanDerWaalsContact C-N 3.31Å; K235-K237 PolarHBondContact O-N 3.49Å; K237-E239 PolarHBondContact O-N 3.4Å; K237-L240 PolarHBondContact O-N 2.93Å; K237-E241 WeakPolarHBondContact O-CG 3.38Å; K237-E241 PolarHBondContact O-N 2.92Å; K237-E241 VanDerWaalsContact O-N 3.11Å; K237-L255 HydrophobicContact CD-CD1 4.38Å; K237-L255 HydrophobicContact CD-CD2 4.15Å |
| 238 | T | 70.5 | Confident | 73.5 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -34.5 | 175.2 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | L234 K235 Q259 | L234-T238 PolarHBondContact O-N 3.42Å; L234-T238 PolarHBondContact O-OG1 3.14Å; K235-T238 WeakPolarHBondContact O-CB 3.39Å; K235-T238 PolarHBondContact O-N 3.02Å; K235-T238 VanDerWaalsContact O-N 3.14Å; T238-Q259 PolarHBondContact OG1-NE2 3.47Å |
| 239 | E | 62.4 | Low | 72.6 | Confident | 144 Ų | 144 | 75.7 Ų | 75.7 | 67% | 0.673 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -73.2 | -37.6 | 177.3 | -61.5 | 171.4 | 179.8 | 0 | 0 | 112.1 | K235 S236 K237 S242 | K235-E239 PolarHBondContact O-N 3.45Å; S236-E239 PolarHBondContact O-N 3.07Å; K237-E239 PolarHBondContact O-N 3.4Å; E239-S242 PolarHBondContact O-OG 2.94Å |
| 240 | L | 59.5 | Low | 72.1 | Confident | 103 Ų | 103 | 76.4 Ų | 76.4 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -78 | -27.4 | -176 | -87.8 | 149.7 | 0 | 0 | 0 | 115.1 | S236 K237 S242 N243 S244 | S236-L240 PolarHBondContact O-N 3.49Å; K237-L240 PolarHBondContact O-N 2.93Å; L240-S242 PolarHBondContact O-N 3.09Å; L240-N243 PolarHBondContact O-N 3.33Å; L240-N243 VanDerWaalsContact O-N 3.09Å; L240-S244 PolarHBondContact O-OG 2.86Å |
| 241 | E | 56.8 | Low | 71.7 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 23% | 0.229 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.5 | -178.9 | -76.7 | -172.9 | -177.4 | 0 | 0 | 113.8 | K237 N243 | K237-E241 WeakPolarHBondContact O-CG 3.38Å; K237-E241 PolarHBondContact O-N 2.92Å; K237-E241 VanDerWaalsContact O-N 3.11Å; E241-N243 PolarHBondContact O-N 3.48Å |
| 242 | S | 51.9 | Low | 71.3 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19 | 168.6 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | E239 L240 | E239-S242 PolarHBondContact O-OG 2.94Å; L240-S242 PolarHBondContact O-N 3.09Å |
| 243 | N | 49.1 | Very low | 71.1 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 78% | 0.775 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -129.6 | 2.5 | -164.4 | -74.8 | -29.9 | 0 | 0 | 0 | 116.6 | L240 E241 | L240-N243 PolarHBondContact O-N 3.33Å; L240-N243 VanDerWaalsContact O-N 3.09Å; E241-N243 PolarHBondContact O-N 3.48Å |
| 244 | S | 50.2 | Low | 71.1 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | trans | -136.7 | 109.5 | -171.2 | 59.5 | 0 | 0 | 0 | 0 | 116.1 | L240 A246 | L240-S244 PolarHBondContact O-OG 2.86Å; S244-A246 VanDerWaalsContact C-N 3.26Å; S244-A246 PolarHBondContact O-N 3.42Å | ||
| 245 | N | 49.9 | Very low | 71.1 | Confident | 183 Ų | 183 | 73.6 Ų | 73.6 | 98% | 0.979 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 14 | 174.4 | -83.3 | -15.1 | 0 | 0 | 0 | 114.7 | ||
| 246 | A | 50.5 | Low | 71.3 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 79% | 0.793 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -6.2 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S244 | S244-A246 VanDerWaalsContact C-N 3.26Å; S244-A246 PolarHBondContact O-N 3.42Å |
| 247 | K | 58.1 | Low | 71.6 | Confident | 67 Ų | 67 | 72.5 Ų | 72.5 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -88.5 | 144.2 | 176.6 | -74.4 | 173.8 | -177.7 | 167.3 | 0 | 110.2 | N249 V252 | K247-N249 PolarHBondContact O-N 2.98Å; K247-V252 HydrophobicContact CB-CG2 3.58Å; K247-V252 HydrophobicContact CD-CG2 4.4Å |
| 248 | S | 63.4 | Low | 72.2 | Confident | 50 Ų | 50 | 71 Ų | 71 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | trans | -55 | 136.1 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 110 | S250 H251 V252 | S248-S250 PolarHBondContact O-N 3.3Å; S248-S250 PolarHBondContact OG-OG 3.19Å; S248-H251 PolarHBondContact O-N 2.98Å; S248-V252 PolarHBondContact O-N 2.69Å | ||
| 249 | N | 76.1 | Confident | 73.3 | Confident | 139 Ų | 139 | 69.8 Ų | 69.8 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -51.5 | -31.1 | -178.1 | -74 | -8.7 | 0 | 0 | 0 | 112.6 | K247 T253 | K247-N249 PolarHBondContact O-N 2.98Å; N249-T253 WeakPolarHBondContact O-CB 3.49Å; N249-T253 PolarHBondContact O-N 2.97Å; N249-T253 PolarHBondContact O-OG1 3.5Å |
| 250 | S | 86.1 | Confident | 74.7 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 12% | 0.119 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.4 | -51.6 | 175.9 | 46.4 | 0 | 0 | 0 | 0 | 114 | S248 V252 T253 A254 Q307 A310 | S248-S250 PolarHBondContact O-N 3.3Å; S248-S250 PolarHBondContact OG-OG 3.19Å; S250-V252 PolarHBondContact O-N 3.38Å; S250-T253 WeakPolarHBondContact O-CB 3.41Å; S250-T253 PolarHBondContact O-N 3.26Å; S250-A254 PolarHBondContact O-N 3.07Å; S250-Q307 CarbonylContact C-O 3.42Å; S250-Q307 WeakPolarHBondContact CA-O 3.21Å; S250-Q307 WeakPolarHBondContact CB-O 3.27Å; S250-A310 VanDerWaalsContact CB-OXT 3.28Å; S250-A310 WeakPolarHBondContact CB-OXT 3.22Å |
| 251 | H | 88 | Confident | 76.3 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 10% | 0.102 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 180 | 176.2 | -134.8 | 0 | 0 | 0 | 111.8 | I210 I211 S248 T253 A254 L255 L308 | I210-H251 PolarHBondContact O-CD2 2.93Å; I210-H251 PolarHBondContact O-NE2 3.13Å; I210-H251 VanDerWaalsContact O-NE2 3.08Å; I211-H251 PolarHBondContact O-NE2 2.79Å; S248-H251 PolarHBondContact O-N 2.98Å; H251-T253 VanDerWaalsContact C-N 3.3Å; H251-T253 PolarHBondContact O-N 3.3Å; H251-A254 PolarHBondContact O-N 3.18Å; H251-L255 WeakPolarHBondContact O-CG 3.45Å; H251-L255 PolarHBondContact O-N 2.97Å; H251-L308 HydrophobicContact CB-CD1 4.32Å |
| 252 | V | 87 | Confident | 78.1 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 19% | 0.188 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | K247 S248 S250 L255 K256 | K247-V252 HydrophobicContact CB-CG2 3.58Å; K247-V252 HydrophobicContact CD-CG2 4.4Å; S248-V252 PolarHBondContact O-N 2.69Å; S250-V252 PolarHBondContact O-N 3.38Å; V252-L255 PolarHBondContact O-N 3.5Å; V252-K256 HydrophobicContact CG1-CD 4.22Å; V252-K256 WeakPolarHBondContact O-CG 3.44Å; V252-K256 PolarHBondContact O-N 3.18Å |
| 253 | T | 90.5 | Very high | 80.2 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 36% | 0.362 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | N249 S250 H251 L255 K256 I257 Q307 | N249-T253 WeakPolarHBondContact O-CB 3.49Å; N249-T253 PolarHBondContact O-N 2.97Å; N249-T253 PolarHBondContact O-OG1 3.5Å; S250-T253 WeakPolarHBondContact O-CB 3.41Å; S250-T253 PolarHBondContact O-N 3.26Å; H251-T253 VanDerWaalsContact C-N 3.3Å; H251-T253 PolarHBondContact O-N 3.3Å; T253-L255 PolarHBondContact O-N 3.39Å; T253-K256 PolarHBondContact O-N 3.33Å; T253-I257 HydrophobicContact CG2-CD1 4.48Å; T253-I257 WeakPolarHBondContact O-CG1 3.47Å; T253-I257 PolarHBondContact O-N 3.45Å; T253-I257 VanDerWaalsContact O-N 3.11Å; T253-Q307 HydrophobicContact CG2-CB 4.24Å; T253-Q307 HydrophobicContact CG2-CG 4.07Å |
| 254 | A | 93.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I210 S250 H251 I257 L258 C304 Q307 L308 | I210-A254 HydrophobicContact CG2-CB 4.16Å; S250-A254 PolarHBondContact O-N 3.07Å; H251-A254 PolarHBondContact O-N 3.18Å; A254-I257 PolarHBondContact O-N 2.91Å; A254-L258 PolarHBondContact O-N 3.42Å; A254-L258 VanDerWaalsContact O-N 3.14Å; A254-C304 WeakPolarHBondContact CB-O 3.48Å; A254-C304 PolarHBondContact O-SG 3.41Å; A254-Q307 HydrophobicContact CB-CB 4.03Å; A254-L308 HydrophobicContact CB-CB 4.26Å; A254-L308 HydrophobicContact CB-CD1 4.41Å |
| 255 | L | 92.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 174.9 | -78.8 | 171.7 | 0 | 0 | 0 | 112 | I210 I211 K237 H251 V252 T253 I257 L258 Q259 | I210-L255 WeakPolarHBondContact O-CD2 3.41Å; I211-L255 HydrophobicContact CG1-CD2 4.39Å; K237-L255 HydrophobicContact CD-CD1 4.38Å; K237-L255 HydrophobicContact CD-CD2 4.15Å; H251-L255 WeakPolarHBondContact O-CG 3.45Å; H251-L255 PolarHBondContact O-N 2.97Å; V252-L255 PolarHBondContact O-N 3.5Å; T253-L255 PolarHBondContact O-N 3.39Å; L255-I257 VanDerWaalsContact C-N 3.34Å; L255-I257 PolarHBondContact O-N 3.37Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 2.98Å; L255-L258 VanDerWaalsContact O-N 3.14Å; L255-Q259 WeakPolarHBondContact O-CG 3.02Å; L255-Q259 PolarHBondContact O-N 3.18Å |
| 256 | K | 92 | Very high | 86.9 | Confident | 117 Ų | 117 | 47.6 Ų | 47.6 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 178 | -75.8 | 177.8 | 178.5 | -179.1 | 0 | 113.1 | V252 T253 L258 Q259 A260 | V252-K256 HydrophobicContact CG1-CD 4.22Å; V252-K256 WeakPolarHBondContact O-CG 3.44Å; V252-K256 PolarHBondContact O-N 3.18Å; T253-K256 PolarHBondContact O-N 3.33Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-Q259 PolarHBondContact O-N 3.23Å; K256-A260 VanDerWaalsContact O-CB 3.27Å; K256-A260 WeakPolarHBondContact O-CB 2.98Å; K256-A260 PolarHBondContact O-N 2.71Å |
| 257 | I | 93.8 | Very high | 89.1 | Confident | 44 Ų | 44 | 43 Ų | 43 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 173.5 | -66.5 | 168.6 | 0 | 0 | 0 | 110 | T253 A254 L255 A260 S261 Q303 C304 Q307 | T253-I257 HydrophobicContact CG2-CD1 4.48Å; T253-I257 WeakPolarHBondContact O-CG1 3.47Å; T253-I257 PolarHBondContact O-N 3.45Å; T253-I257 VanDerWaalsContact O-N 3.11Å; A254-I257 PolarHBondContact O-N 2.91Å; L255-I257 VanDerWaalsContact C-N 3.34Å; L255-I257 PolarHBondContact O-N 3.37Å; I257-A260 PolarHBondContact O-N 2.94Å; I257-S261 WeakPolarHBondContact O-CB 3.42Å; I257-S261 PolarHBondContact O-N 3.15Å; I257-S261 VanDerWaalsContact O-N 3.09Å; I257-Q303 HydrophobicContact CG2-CB 4.28Å; I257-C304 VanDerWaalsContact CG2-SG 3.52Å; I257-Q307 HydrophobicContact CD1-CB 4.38Å; I257-Q307 HydrophobicContact CD1-CG 3.61Å |
| 258 | L | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 178.5 | -175.5 | 61.6 | 0 | 0 | 0 | 111.6 | F207 I210 I211 L234 A254 L255 K256 S261 V263 L264 | F207-L258 HydrophobicContact CD1-CD1 3.67Å; F207-L258 HydrophobicContact CE1-CD1 3.97Å; F207-L258 HydrophobicContact CG-CD1 4.24Å; I210-L258 HydrophobicContact CB-CD2 4.5Å; I210-L258 HydrophobicContact CG2-CB 4.39Å; I210-L258 HydrophobicContact CG2-CD2 3.98Å; I211-L258 HydrophobicContact CD1-CD2 4.14Å; I211-L258 HydrophobicContact CG1-CD2 3.72Å; L234-L258 HydrophobicContact CD1-CD2 4.02Å; L234-L258 HydrophobicContact CD1-CG 4.15Å; L234-L258 HydrophobicContact CD2-CG 4.39Å; A254-L258 PolarHBondContact O-N 3.42Å; A254-L258 VanDerWaalsContact O-N 3.14Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 2.98Å; L255-L258 VanDerWaalsContact O-N 3.14Å; K256-L258 VanDerWaalsContact C-N 3.33Å; L258-S261 PolarHBondContact O-N 3.19Å; L258-S261 PolarHBondContact O-OG 3.35Å; L258-V263 HydrophobicContact CD1-CG1 3.44Å; L258-V263 VanDerWaalsContact CD1-CG1 3.44Å; L258-L264 HydrophobicContact CD1-CD2 4.5Å |
| 259 | Q | 92.9 | Very high | 92.4 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 177.3 | -73.2 | 169.6 | -32.6 | 0 | 0 | 113.4 | L234 T238 L255 K256 S261 | L234-Q259 HydrophobicContact CD1-CG 3.56Å; L234-Q259 HydrophobicContact CD2-CG 4.43Å; L234-Q259 HydrophobicContact CG-CG 3.95Å; T238-Q259 PolarHBondContact OG1-NE2 3.47Å; L255-Q259 WeakPolarHBondContact O-CG 3.02Å; L255-Q259 PolarHBondContact O-N 3.18Å; K256-Q259 PolarHBondContact O-N 3.23Å; Q259-S261 VanDerWaalsContact C-N 3.25Å |
| 260 | A | 92.3 | Very high | 93.3 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 76% | 0.76 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -75.2 | -18.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K256 I257 | K256-A260 VanDerWaalsContact O-CB 3.27Å; K256-A260 WeakPolarHBondContact O-CB 2.98Å; K256-A260 PolarHBondContact O-N 2.71Å; I257-A260 PolarHBondContact O-N 2.94Å |
| 261 | S | 93.1 | Very high | 93.7 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -86.6 | 147.8 | 177.1 | 78.2 | 0 | 0 | 0 | 0 | 111.7 | I257 L258 Q259 V263 | I257-S261 WeakPolarHBondContact O-CB 3.42Å; I257-S261 PolarHBondContact O-N 3.15Å; I257-S261 VanDerWaalsContact O-N 3.09Å; L258-S261 PolarHBondContact O-N 3.19Å; L258-S261 PolarHBondContact O-OG 3.35Å; Q259-S261 VanDerWaalsContact C-N 3.25Å; S261-V263 PolarHBondContact O-N 2.9Å; S261-V263 WeakPolarHBondContact OG-CB 3.39Å; S261-V263 WeakPolarHBondContact OG-CG1 3.45Å; S261-V263 PolarHBondContact OG-N 3.42Å |
| 262 | N | 94.2 | Very high | 94 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | trans | -88.3 | 23.5 | 166.1 | 62.9 | -23.5 | 0 | 0 | 0 | 112 | L264 D265 D266 H296 | N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 2.98Å; N262-D265 WeakPolarHBondContact O-CB 3.44Å; N262-D265 PolarHBondContact O-N 3.46Å; N262-D265 VanDerWaalsContact O-N 3.12Å; N262-D266 PolarHBondContact O-N 2.97Å; N262-H296 PolarHBondContact OD1-CE1 3.25Å | ||
| 263 | V | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -28.3 | -171.2 | 78.1 | 0 | 0 | 0 | 0 | 113.4 | F207 L258 S261 D265 D266 L267 I297 V300 | F207-V263 HydrophobicContact CE1-CG1 4.16Å; F207-V263 HydrophobicContact CE2-CG1 4.16Å; F207-V263 HydrophobicContact CE2-CG2 4.05Å; F207-V263 HydrophobicContact CZ-CB 4.43Å; F207-V263 HydrophobicContact CZ-CG1 3.84Å; F207-V263 HydrophobicContact CZ-CG2 3.66Å; L258-V263 HydrophobicContact CD1-CG1 3.44Å; L258-V263 VanDerWaalsContact CD1-CG1 3.44Å; S261-V263 PolarHBondContact O-N 2.9Å; S261-V263 WeakPolarHBondContact OG-CB 3.39Å; S261-V263 WeakPolarHBondContact OG-CG1 3.45Å; S261-V263 PolarHBondContact OG-N 3.42Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D266 PolarHBondContact O-N 3.19Å; V263-L267 WeakPolarHBondContact O-CB 3.41Å; V263-L267 PolarHBondContact O-N 3.14Å; V263-I297 HydrophobicContact CG2-CB 4.19Å; V263-I297 HydrophobicContact CG2-CG1 3.78Å; V263-V300 HydrophobicContact CB-CB 4.21Å; V263-V300 HydrophobicContact CB-CG1 4.06Å; V263-V300 HydrophobicContact CB-CG2 4.25Å; V263-V300 HydrophobicContact CG1-CG1 3.95Å; V263-V300 HydrophobicContact CG2-CB 3.96Å; V263-V300 HydrophobicContact CG2-CG1 4.23Å; V263-V300 HydrophobicContact CG2-CG2 4.23Å |
| 264 | L | 96.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.8 | -30.3 | 177.1 | -63.7 | -171.8 | 0 | 0 | 0 | 111.7 | F207 L230 F231 L234 L258 N262 L267 S268 | F207-L264 HydrophobicContact CD2-CD2 4.24Å; L230-L264 HydrophobicContact CB-CD1 4.19Å; L230-L264 HydrophobicContact CB-CD2 4.23Å; L230-L264 HydrophobicContact CD1-CD2 4.1Å; F231-L264 HydrophobicContact CD1-CB 4.2Å; F231-L264 HydrophobicContact CD1-CD1 4.18Å; F231-L264 HydrophobicContact CE1-CB 3.61Å; F231-L264 HydrophobicContact CE1-CD1 4.42Å; F231-L264 HydrophobicContact CE2-CB 4.14Å; F231-L264 HydrophobicContact CG-CD1 4.45Å; F231-L264 VanDerWaalsContact CZ-C 3.48Å; F231-L264 HydrophobicContact CZ-CB 3.58Å; F231-L264 WeakPolarHBondContact CZ-O 3.44Å; L234-L264 HydrophobicContact CB-CD1 4.42Å; L234-L264 HydrophobicContact CD2-CD1 3.65Å; L258-L264 HydrophobicContact CD1-CD2 4.5Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 2.98Å; L264-L267 HydrophobicContact CD2-CD2 4.26Å; L264-L267 PolarHBondContact O-N 3.38Å; L264-S268 WeakPolarHBondContact O-CB 3.01Å; L264-S268 PolarHBondContact O-N 3.02Å |
| 265 | D | 96.2 | Very high | 94.3 | Very high | 80 Ų | 80 | 39.2 Ų | 39.2 | 43% | 0.428 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67 | -43.4 | 173.5 | -60.5 | -38.6 | 0 | 0 | 0 | 110.3 | N262 V263 L267 S268 K269 | N262-D265 WeakPolarHBondContact O-CB 3.44Å; N262-D265 PolarHBondContact O-N 3.46Å; N262-D265 VanDerWaalsContact O-N 3.12Å; V263-D265 VanDerWaalsContact C-N 3.3Å; D265-L267 VanDerWaalsContact C-N 3.35Å; D265-S268 WeakPolarHBondContact O-CB 3.34Å; D265-S268 PolarHBondContact O-N 3.36Å; D265-K269 WeakPolarHBondContact O-CG 3.26Å; D265-K269 PolarHBondContact O-N 2.95Å |
| 266 | D | 96.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 175.2 | -69.3 | -13.4 | 0 | 0 | 0 | 111.5 | N262 V263 S268 K269 V270 Y293 H296 I297 | N262-D266 PolarHBondContact O-N 2.97Å; V263-D266 PolarHBondContact O-N 3.19Å; D266-S268 VanDerWaalsContact C-N 3.32Å; D266-S268 PolarHBondContact O-N 3.05Å; D266-K269 PolarHBondContact O-N 2.67Å; D266-K269 IonicContact OD1-NZ 3.66Å; D266-K269 PolarHBondContact OD1-NZ 2.99Å; D266-V270 WeakPolarHBondContact O-CG2 3.39Å; D266-V270 PolarHBondContact O-N 3.36Å; D266-Y293 HydrophobicContact CB-CD1 3.99Å; D266-Y293 HydrophobicContact CB-CG 4.17Å; D266-Y293 VanDerWaalsContact CG-CD1 3.42Å; D266-Y293 WeakPolarHBondContact OD1-CD1 3.5Å; D266-Y293 WeakPolarHBondContact OD1-CE1 3.23Å; D266-H296 IonicContact OD2-CE1 3.35Å; D266-H296 IonicContact OD2-CG 3.33Å; D266-H296 IonicContact OD2-ND1 3.41Å; D266-H296 PolarHBondContact OD2-ND1 3.4Å; D266-I297 HydrophobicContact CB-CD1 4.34Å; D266-I297 HydrophobicContact CB-CG1 4.23Å |
| 267 | L | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 174.8 | -173.1 | 66.8 | 0 | 0 | 0 | 111.8 | T200 A203 F207 I227 L230 V263 L264 D265 V270 A271 I297 | T200-L267 HydrophobicContact CG2-CD1 3.73Å; T200-L267 HydrophobicContact CG2-CG 4.48Å; A203-L267 HydrophobicContact CB-CD1 3.81Å; F207-L267 HydrophobicContact CD2-CD2 3.98Å; F207-L267 HydrophobicContact CE2-CD2 4.37Å; I227-L267 HydrophobicContact CD1-CD2 4.33Å; I227-L267 HydrophobicContact CD1-CG 3.95Å; I227-L267 HydrophobicContact CG1-CD2 3.87Å; I227-L267 HydrophobicContact CG1-CG 4.04Å; L230-L267 HydrophobicContact CD1-CD2 3.97Å; V263-L267 WeakPolarHBondContact O-CB 3.41Å; V263-L267 PolarHBondContact O-N 3.14Å; L264-L267 HydrophobicContact CD2-CD2 4.26Å; L264-L267 PolarHBondContact O-N 3.38Å; D265-L267 VanDerWaalsContact C-N 3.35Å; L267-V270 PolarHBondContact O-N 3.42Å; L267-A271 WeakPolarHBondContact O-CB 3.26Å; L267-A271 PolarHBondContact O-N 2.88Å; L267-I297 HydrophobicContact CB-CD1 4.3Å; L267-I297 HydrophobicContact CD1-CD1 4.17Å |
| 268 | S | 96.2 | Very high | 93.9 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | L264 D265 D266 V270 A271 N272 | L264-S268 WeakPolarHBondContact O-CB 3.01Å; L264-S268 PolarHBondContact O-N 3.02Å; D265-S268 WeakPolarHBondContact O-CB 3.34Å; D265-S268 PolarHBondContact O-N 3.36Å; D266-S268 VanDerWaalsContact C-N 3.32Å; D266-S268 PolarHBondContact O-N 3.05Å; S268-V270 PolarHBondContact O-N 3.1Å; S268-A271 PolarHBondContact O-N 2.96Å; S268-N272 VanDerWaalsContact O-CG 3.25Å; S268-N272 PolarHBondContact O-N 2.77Å; S268-N272 PolarHBondContact O-ND2 3.5Å |
| 269 | K | 94.9 | Very high | 93.6 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.1 | -69.1 | 173.2 | -165.8 | 165.2 | 0 | 112.2 | D265 D266 A271 N272 Y273 Y293 | D265-K269 WeakPolarHBondContact O-CG 3.26Å; D265-K269 PolarHBondContact O-N 2.95Å; D266-K269 PolarHBondContact O-N 2.67Å; D266-K269 IonicContact OD1-NZ 3.66Å; D266-K269 PolarHBondContact OD1-NZ 2.99Å; K269-A271 VanDerWaalsContact C-N 3.34Å; K269-A271 PolarHBondContact O-N 2.94Å; K269-N272 PolarHBondContact O-N 3.35Å; K269-Y273 PolarHBondContact O-N 2.59Å; K269-Y293 HydrophobicContact CB-CD2 4.09Å; K269-Y293 HydrophobicContact CB-CE2 4.06Å; K269-Y293 HydrophobicContact CD-CD2 4.15Å; K269-Y293 HydrophobicContact CD-CE1 3.97Å; K269-Y293 HydrophobicContact CD-CE2 3.55Å; K269-Y293 VanDerWaalsContact CD-CZ 3.44Å; K269-Y293 HydrophobicContact CG-CE2 4.45Å; K269-Y293 PolarHBondContact NZ-OH 3.33Å |
| 270 | V | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | A196 T200 D266 L267 S268 Y273 I274 Y293 L294 I297 | A196-V270 HydrophobicContact CB-CG1 3.9Å; T200-V270 WeakPolarHBondContact OG1-CG1 3.31Å; D266-V270 WeakPolarHBondContact O-CG2 3.39Å; D266-V270 PolarHBondContact O-N 3.36Å; L267-V270 PolarHBondContact O-N 3.42Å; S268-V270 PolarHBondContact O-N 3.1Å; V270-Y273 WeakPolarHBondContact O-CB 3.4Å; V270-Y273 PolarHBondContact O-N 3.22Å; V270-I274 HydrophobicContact CG1-CD1 4.18Å; V270-I274 WeakPolarHBondContact O-CD1 3.43Å; V270-I274 VanDerWaalsContact O-CG1 3.29Å; V270-I274 WeakPolarHBondContact O-CG1 3.41Å; V270-I274 PolarHBondContact O-N 3.28Å; V270-Y293 HydrophobicContact CG2-CD2 4.47Å; V270-L294 HydrophobicContact CG1-CD2 4.03Å; V270-L294 HydrophobicContact CG2-CD2 4.3Å; V270-L294 HydrophobicContact CG2-CG 4.38Å; V270-I297 HydrophobicContact CG2-CD1 4.07Å |
| 271 | A | 94.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T200 I227 L267 S268 K269 I274 S275 | T200-A271 HydrophobicContact CG2-CB 4.32Å; I227-A271 HydrophobicContact CD1-CB 3.47Å; I227-A271 VanDerWaalsContact CD1-CB 3.47Å; L267-A271 WeakPolarHBondContact O-CB 3.26Å; L267-A271 PolarHBondContact O-N 2.88Å; S268-A271 PolarHBondContact O-N 2.96Å; K269-A271 VanDerWaalsContact C-N 3.34Å; K269-A271 PolarHBondContact O-N 2.94Å; A271-I274 PolarHBondContact O-N 3.41Å; A271-S275 WeakPolarHBondContact O-CB 3.38Å; A271-S275 PolarHBondContact O-N 2.87Å; A271-S275 PolarHBondContact O-OG 3.01Å |
| 272 | N | 93.1 | Very high | 91.4 | Very high | 93 Ų | 93 | 53 Ų | 53 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 173.9 | -69.3 | -26.5 | 0 | 0 | 0 | 111.3 | S268 K269 I274 S275 E276 | S268-N272 VanDerWaalsContact O-CG 3.25Å; S268-N272 PolarHBondContact O-N 2.77Å; S268-N272 PolarHBondContact O-ND2 3.5Å; K269-N272 PolarHBondContact O-N 3.35Å; N272-I274 VanDerWaalsContact C-N 3.34Å; N272-I274 PolarHBondContact O-N 2.62Å; N272-S275 PolarHBondContact O-N 2.89Å; N272-E276 WeakPolarHBondContact O-CB 3.04Å; N272-E276 PolarHBondContact O-N 3.26Å |
| 273 | Y | 93 | Very high | 90.2 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.2 | -48.4 | 172.1 | 166.9 | -88.9 | 0 | 0 | 0 | 111.7 | L192 A196 K269 V270 S275 E276 K277 V283 D285 I290 | L192-Y273 WeakPolarHBondContact CD2-OH 3.24Å; L192-Y273 HydrophobicContact CG-CE1 4.4Å; A196-Y273 HydrophobicContact CB-CD1 4.3Å; A196-Y273 HydrophobicContact CB-CE1 4.27Å; K269-Y273 PolarHBondContact O-N 2.59Å; V270-Y273 WeakPolarHBondContact O-CB 3.4Å; V270-Y273 PolarHBondContact O-N 3.22Å; Y273-S275 PolarHBondContact O-N 3.48Å; Y273-E276 PolarHBondContact O-N 3.08Å; Y273-K277 VanDerWaalsContact O-CB 3.28Å; Y273-K277 WeakPolarHBondContact O-CB 3.43Å; Y273-K277 PolarHBondContact O-N 3.26Å; Y273-V283 HydrophobicContact CD2-CB 3.99Å; Y273-V283 HydrophobicContact CD2-CG1 3.41Å; Y273-V283 VanDerWaalsContact CD2-CG1 3.41Å; Y273-V283 HydrophobicContact CD2-CG2 4.09Å; Y273-V283 HydrophobicContact CE2-CB 3.92Å; Y273-V283 HydrophobicContact CE2-CG1 3.85Å; Y273-V283 HydrophobicContact CE2-CG2 4.04Å; Y273-V283 HydrophobicContact CG-CG1 4.37Å; Y273-D285 HydrophobicContact CD2-CB 4.49Å; Y273-I290 HydrophobicContact CD1-CD1 4.41Å; Y273-I290 HydrophobicContact CD1-CG1 4.39Å; Y273-I290 HydrophobicContact CD1-CG2 4.28Å; Y273-I290 HydrophobicContact CD2-CD1 3.65Å; Y273-I290 HydrophobicContact CD2-CG1 3.53Å; Y273-I290 HydrophobicContact CE1-CG2 4.46Å; Y273-I290 HydrophobicContact CE2-CG1 3.91Å; Y273-I290 HydrophobicContact CG-CD1 3.62Å; Y273-I290 HydrophobicContact CG-CG1 3.83Å |
| 274 | I | 93.3 | Very high | 88.5 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 178.2 | -67.4 | 158.9 | 0 | 0 | 0 | 110.3 | L193 A196 T200 V270 A271 N272 E276 K277 V278 | L193-I274 HydrophobicContact CD1-CB 4.37Å; L193-I274 HydrophobicContact CD1-CG1 4.34Å; L193-I274 HydrophobicContact CD1-CG2 4.05Å; A196-I274 HydrophobicContact CB-CD1 3.99Å; A196-I274 HydrophobicContact CB-CG1 3.8Å; T200-I274 HydrophobicContact CG2-CD1 4.38Å; T200-I274 WeakPolarHBondContact OG1-CD1 3.28Å; V270-I274 HydrophobicContact CG1-CD1 4.18Å; V270-I274 WeakPolarHBondContact O-CD1 3.43Å; V270-I274 VanDerWaalsContact O-CG1 3.29Å; V270-I274 WeakPolarHBondContact O-CG1 3.41Å; V270-I274 PolarHBondContact O-N 3.28Å; A271-I274 PolarHBondContact O-N 3.41Å; N272-I274 VanDerWaalsContact C-N 3.34Å; N272-I274 PolarHBondContact O-N 2.62Å; I274-E276 PolarHBondContact O-N 2.97Å; I274-K277 PolarHBondContact O-N 3.11Å; I274-V278 HydrophobicContact CG2-CG2 4.39Å; I274-V278 WeakPolarHBondContact O-CB 3.42Å; I274-V278 VanDerWaalsContact O-CG2 3.24Å; I274-V278 WeakPolarHBondContact O-CG2 3.19Å; I274-V278 PolarHBondContact O-N 3.46Å |
| 275 | S | 91.9 | Very high | 87 | Confident | 59 Ų | 59 | 63 Ų | 63 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | -177.5 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | A271 N272 Y273 R279 | A271-S275 WeakPolarHBondContact O-CB 3.38Å; A271-S275 PolarHBondContact O-N 2.87Å; A271-S275 PolarHBondContact O-OG 3.01Å; N272-S275 PolarHBondContact O-N 2.89Å; Y273-S275 PolarHBondContact O-N 3.48Å; S275-R279 VanDerWaalsContact O-CB 3.23Å; S275-R279 WeakPolarHBondContact O-CB 3.31Å; S275-R279 PolarHBondContact O-N 3.34Å |
| 276 | E | 89.7 | Confident | 85.8 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 176.5 | -74.9 | -61.9 | 110.9 | 0 | 0 | 111.6 | N272 Y273 I274 V278 R279 S280 V283 | N272-E276 WeakPolarHBondContact O-CB 3.04Å; N272-E276 PolarHBondContact O-N 3.26Å; Y273-E276 PolarHBondContact O-N 3.08Å; I274-E276 PolarHBondContact O-N 2.97Å; E276-V278 VanDerWaalsContact C-N 3.27Å; E276-V278 PolarHBondContact O-N 2.77Å; E276-R279 VanDerWaalsContact CD-NH2 3.28Å; E276-R279 PolarHBondContact O-N 3.05Å; E276-R279 VanDerWaalsContact O-N 3.08Å; E276-R279 IonicContact OE1-CZ 3.46Å; E276-R279 IonicContact OE1-NE 3.79Å; E276-R279 PolarHBondContact OE1-NE 3.02Å; E276-R279 IonicContact OE1-NH2 2.97Å; E276-R279 PolarHBondContact OE1-NH2 3.35Å; E276-R279 IonicContact OE2-CZ 2.65Å; E276-R279 IonicContact OE2-NE 2.96Å; E276-R279 IonicContact OE2-NH2 2.74Å; E276-R279 PolarHBondContact OE2-NH2 2.81Å; E276-S280 PolarHBondContact O-N 2.93Å; E276-S280 PolarHBondContact O-OG 3.44Å; E276-V283 HydrophobicContact CB-CG2 4.16Å |
| 277 | K | 90.3 | Very high | 85 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 27% | 0.274 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 178.7 | -163.9 | 66.3 | 176.6 | 171.9 | 0 | 111.9 | L193 Y273 I274 G281 V283 | L193-K277 HydrophobicContact CD1-CB 4.03Å; L193-K277 HydrophobicContact CD1-CG 4.15Å; L193-K277 HydrophobicContact CD2-CG 4.19Å; Y273-K277 VanDerWaalsContact O-CB 3.28Å; Y273-K277 WeakPolarHBondContact O-CB 3.43Å; Y273-K277 PolarHBondContact O-N 3.26Å; I274-K277 PolarHBondContact O-N 3.11Å; K277-G281 WeakPolarHBondContact CE-O 3.3Å; K277-G281 PolarHBondContact NZ-O 3.28Å; K277-G281 VanDerWaalsContact O-CA 3.28Å; K277-G281 WeakPolarHBondContact O-CA 3.37Å; K277-G281 PolarHBondContact O-N 3.4Å; K277-G281 VanDerWaalsContact O-N 3.08Å; K277-V283 VanDerWaalsContact CA-CG2 3.42Å; K277-V283 HydrophobicContact CB-CG2 3.51Å; K277-V283 HydrophobicContact CD-CB 4.36Å; K277-V283 HydrophobicContact CD-CG2 3.47Å; K277-V283 VanDerWaalsContact CD-CG2 3.47Å; K277-V283 HydrophobicContact CG-CG2 4.08Å; K277-V283 VanDerWaalsContact N-CG2 3.35Å |
| 278 | V | 89.3 | Confident | 84.2 | Confident | 105 Ų | 105 | 73.8 Ų | 73.8 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.1 | -38.3 | 177 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L193 I274 E276 | L193-V278 HydrophobicContact CD1-CG2 4.23Å; L193-V278 HydrophobicContact CD2-CG2 4.24Å; I274-V278 HydrophobicContact CG2-CG2 4.39Å; I274-V278 WeakPolarHBondContact O-CB 3.42Å; I274-V278 VanDerWaalsContact O-CG2 3.24Å; I274-V278 WeakPolarHBondContact O-CG2 3.19Å; I274-V278 PolarHBondContact O-N 3.46Å; E276-V278 VanDerWaalsContact C-N 3.27Å; E276-V278 PolarHBondContact O-N 2.77Å |
| 279 | R | 88.1 | Confident | 83.9 | Confident | 179 Ų | 179 | 75.3 Ų | 75.3 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -77.7 | -44.1 | -175.6 | -173.1 | 179.6 | 71.9 | 85.5 | 1.4 | 113.6 | S275 E276 | S275-R279 VanDerWaalsContact O-CB 3.23Å; S275-R279 WeakPolarHBondContact O-CB 3.31Å; S275-R279 PolarHBondContact O-N 3.34Å; E276-R279 VanDerWaalsContact CD-NH2 3.28Å; E276-R279 PolarHBondContact O-N 3.05Å; E276-R279 VanDerWaalsContact O-N 3.08Å; E276-R279 IonicContact OE1-CZ 3.46Å; E276-R279 IonicContact OE1-NE 3.79Å; E276-R279 PolarHBondContact OE1-NE 3.02Å; E276-R279 IonicContact OE1-NH2 2.97Å; E276-R279 PolarHBondContact OE1-NH2 3.35Å; E276-R279 IonicContact OE2-CZ 2.65Å; E276-R279 IonicContact OE2-NE 2.96Å; E276-R279 IonicContact OE2-NH2 2.74Å; E276-R279 PolarHBondContact OE2-NH2 2.81Å |
| 280 | S | 83.5 | Confident | 83.7 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -115.2 | -13.2 | -168.9 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | E276 N282 | E276-S280 PolarHBondContact O-N 2.93Å; E276-S280 PolarHBondContact O-OG 3.44Å; S280-N282 PolarHBondContact O-N 3.4Å; S280-N282 PolarHBondContact OG-N 2.7Å; S280-N282 PolarHBondContact OG-O 3.1Å |
| 281 | G | 79.4 | Confident | 83.5 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 71.4 | -18.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K277 | K277-G281 WeakPolarHBondContact CE-O 3.3Å; K277-G281 PolarHBondContact NZ-O 3.28Å; K277-G281 VanDerWaalsContact O-CA 3.28Å; K277-G281 WeakPolarHBondContact O-CA 3.37Å; K277-G281 PolarHBondContact O-N 3.4Å; K277-G281 VanDerWaalsContact O-N 3.08Å |
| 282 | N | 70.4 | Confident | 83.4 | Confident | 123 Ų | 123 | 77.5 Ų | 77.5 | 66% | 0.658 | 41% | 0.411 | S | S | * | . | trans | -119.3 | 122.1 | -175.8 | -68.4 | -21.5 | 0 | 0 | 0 | 109.6 | S280 | S280-N282 PolarHBondContact O-N 3.4Å; S280-N282 PolarHBondContact OG-N 2.7Å; S280-N282 PolarHBondContact OG-O 3.1Å | ||
| 283 | V | 68.2 | Low | 83.5 | Confident | 33 Ų | 33 | 75.5 Ų | 75.5 | 20% | 0.2 | 40% | 0.397 | C | S | . | . | trans | -114.1 | 139 | 175.2 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | Y273 E276 K277 D285 | Y273-V283 HydrophobicContact CD2-CB 3.99Å; Y273-V283 HydrophobicContact CD2-CG1 3.41Å; Y273-V283 VanDerWaalsContact CD2-CG1 3.41Å; Y273-V283 HydrophobicContact CD2-CG2 4.09Å; Y273-V283 HydrophobicContact CE2-CB 3.92Å; Y273-V283 HydrophobicContact CE2-CG1 3.85Å; Y273-V283 HydrophobicContact CE2-CG2 4.04Å; Y273-V283 HydrophobicContact CG-CG1 4.37Å; E276-V283 HydrophobicContact CB-CG2 4.16Å; K277-V283 VanDerWaalsContact CA-CG2 3.42Å; K277-V283 HydrophobicContact CB-CG2 3.51Å; K277-V283 HydrophobicContact CD-CB 4.36Å; K277-V283 HydrophobicContact CD-CG2 3.47Å; K277-V283 VanDerWaalsContact CD-CG2 3.47Å; K277-V283 HydrophobicContact CG-CG2 4.08Å; K277-V283 VanDerWaalsContact N-CG2 3.35Å; V283-D285 HydrophobicContact CG1-CB 4Å | ||
| 284 | F | 61 | Low | 83.6 | Confident | 199 Ų | 199 | 75.3 Ų | 75.3 | 87% | 0.873 | 40% | 0.397 | S | S | * | . | trans | -80.5 | -22.5 | 180 | -67.4 | -80.8 | 0 | 0 | 0 | 112.8 | ||||
| 285 | D | 65 | Low | 83.7 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -69.3 | 135 | 179.1 | -60.1 | -27.7 | 0 | 0 | 0 | 110.9 | Y273 V283 E287 I290 | Y273-D285 HydrophobicContact CD2-CB 4.49Å; V283-D285 HydrophobicContact CG1-CB 4Å; D285-E287 PolarHBondContact O-N 2.99Å; D285-I290 HydrophobicContact CB-CD1 4.26Å |
| 286 | E | 72 | Confident | 83.9 | Confident | 130 Ų | 130 | 80 Ų | 80 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | trans | -64.6 | 133.6 | 174.3 | -62.1 | -171.9 | 171.9 | 0 | 0 | 109.5 | S288 D289 I290 | E286-S288 WeakPolarHBondContact CB-OG 3.38Å; E286-S288 PolarHBondContact O-N 2.86Å; E286-S288 PolarHBondContact OE2-OG 3.09Å; E286-D289 WeakPolarHBondContact O-CB 3.43Å; E286-D289 PolarHBondContact O-N 3.5Å; E286-I290 PolarHBondContact O-N 3.13Å | ||
| 287 | E | 79.4 | Confident | 84.3 | Confident | 117 Ų | 117 | 77 Ų | 77 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.9 | -27.3 | 179.4 | -64.9 | -172.7 | 161.6 | 0 | 0 | 112.5 | L192 D285 I290 Q291 | L192-E287 HydrophobicContact CD2-CB 3.79Å; L192-E287 HydrophobicContact CD2-CG 3.78Å; D285-E287 PolarHBondContact O-N 2.99Å; E287-I290 PolarHBondContact O-N 3.34Å; E287-Q291 WeakPolarHBondContact O-CG 3.41Å; E287-Q291 PolarHBondContact O-N 3.16Å; E287-Q291 VanDerWaalsContact O-N 3.12Å |
| 288 | S | 79.4 | Confident | 84.6 | Confident | 66 Ų | 66 | 74.6 Ų | 74.6 | 46% | 0.462 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 172 | 34.7 | 0 | 0 | 0 | 0 | 113 | E286 Q291 A292 | E286-S288 WeakPolarHBondContact CB-OG 3.38Å; E286-S288 PolarHBondContact O-N 2.86Å; E286-S288 PolarHBondContact OE2-OG 3.09Å; S288-Q291 PolarHBondContact O-N 3.33Å; S288-A292 PolarHBondContact O-N 3.22Å |
| 289 | D | 89.7 | Confident | 85 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | -178.9 | -70 | -19 | 0 | 0 | 0 | 110.6 | E286 Q291 A292 Y293 | E286-D289 WeakPolarHBondContact O-CB 3.43Å; E286-D289 PolarHBondContact O-N 3.5Å; D289-Q291 VanDerWaalsContact C-N 3.33Å; D289-Q291 PolarHBondContact O-N 3.4Å; D289-A292 WeakPolarHBondContact O-CB 3.5Å; D289-A292 PolarHBondContact O-N 3.44Å; D289-A292 VanDerWaalsContact O-N 3.14Å; D289-Y293 HydrophobicContact CB-CE2 4.01Å; D289-Y293 WeakPolarHBondContact O-CD2 3.4Å; D289-Y293 VanDerWaalsContact O-CG 3.25Å; D289-Y293 PolarHBondContact O-N 2.99Å |
| 290 | I | 91.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.7 | -57.1 | -56.1 | 0 | 0 | 0 | 111.1 | L192 Y273 D285 E286 E287 A292 Y293 L294 | L192-I290 HydrophobicContact CD1-CG2 4.29Å; L192-I290 HydrophobicContact CD2-CB 4.39Å; L192-I290 HydrophobicContact CD2-CG2 4.36Å; L192-I290 HydrophobicContact CG-CG2 4.46Å; Y273-I290 HydrophobicContact CD1-CD1 4.41Å; Y273-I290 HydrophobicContact CD1-CG1 4.39Å; Y273-I290 HydrophobicContact CD1-CG2 4.28Å; Y273-I290 HydrophobicContact CD2-CD1 3.65Å; Y273-I290 HydrophobicContact CD2-CG1 3.53Å; Y273-I290 HydrophobicContact CE1-CG2 4.46Å; Y273-I290 HydrophobicContact CE2-CG1 3.91Å; Y273-I290 HydrophobicContact CG-CD1 3.62Å; Y273-I290 HydrophobicContact CG-CG1 3.83Å; D285-I290 HydrophobicContact CB-CD1 4.26Å; E286-I290 PolarHBondContact O-N 3.13Å; E287-I290 PolarHBondContact O-N 3.34Å; I290-A292 VanDerWaalsContact C-N 3.33Å; I290-A292 PolarHBondContact O-N 3.16Å; I290-Y293 HydrophobicContact CD1-CD2 4.26Å; I290-Y293 PolarHBondContact O-N 3.48Å; I290-L294 HydrophobicContact CG2-CD1 4.13Å; I290-L294 HydrophobicContact CG2-CG 4.41Å; I290-L294 WeakPolarHBondContact O-CB 3.06Å; I290-L294 VanDerWaalsContact O-CG 3.26Å; I290-L294 WeakPolarHBondContact O-CG 3.5Å; I290-L294 PolarHBondContact O-N 2.69Å |
| 291 | Q | 90.8 | Very high | 86.1 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 175.5 | -71.9 | -177.6 | 12.5 | 0 | 0 | 112.4 | L192 E287 S288 D289 K295 | L192-Q291 HydrophobicContact CD1-CG 4.36Å; E287-Q291 WeakPolarHBondContact O-CG 3.41Å; E287-Q291 PolarHBondContact O-N 3.16Å; E287-Q291 VanDerWaalsContact O-N 3.12Å; S288-Q291 PolarHBondContact O-N 3.33Å; D289-Q291 VanDerWaalsContact C-N 3.33Å; D289-Q291 PolarHBondContact O-N 3.4Å; Q291-K295 WeakPolarHBondContact O-CB 3.37Å; Q291-K295 PolarHBondContact O-N 3.43Å |
| 292 | A | 92.9 | Very high | 86.9 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S288 D289 I290 K295 H296 | S288-A292 PolarHBondContact O-N 3.22Å; D289-A292 WeakPolarHBondContact O-CB 3.5Å; D289-A292 PolarHBondContact O-N 3.44Å; D289-A292 VanDerWaalsContact O-N 3.14Å; I290-A292 VanDerWaalsContact C-N 3.33Å; I290-A292 PolarHBondContact O-N 3.16Å; A292-K295 PolarHBondContact O-N 3.18Å; A292-H296 PolarHBondContact O-N 2.87Å |
| 293 | Y | 95.2 | Very high | 88.1 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 175.2 | -62.7 | -33.4 | 0 | 0 | 0 | 111.8 | D266 K269 V270 D289 I290 K295 H296 I297 | D266-Y293 HydrophobicContact CB-CD1 3.99Å; D266-Y293 HydrophobicContact CB-CG 4.17Å; D266-Y293 VanDerWaalsContact CG-CD1 3.42Å; D266-Y293 WeakPolarHBondContact OD1-CD1 3.5Å; D266-Y293 WeakPolarHBondContact OD1-CE1 3.23Å; K269-Y293 HydrophobicContact CB-CD2 4.09Å; K269-Y293 HydrophobicContact CB-CE2 4.06Å; K269-Y293 HydrophobicContact CD-CD2 4.15Å; K269-Y293 HydrophobicContact CD-CE1 3.97Å; K269-Y293 HydrophobicContact CD-CE2 3.55Å; K269-Y293 VanDerWaalsContact CD-CZ 3.44Å; K269-Y293 HydrophobicContact CG-CE2 4.45Å; K269-Y293 PolarHBondContact NZ-OH 3.33Å; V270-Y293 HydrophobicContact CG2-CD2 4.47Å; D289-Y293 HydrophobicContact CB-CE2 4.01Å; D289-Y293 WeakPolarHBondContact O-CD2 3.4Å; D289-Y293 VanDerWaalsContact O-CG 3.25Å; D289-Y293 PolarHBondContact O-N 2.99Å; I290-Y293 HydrophobicContact CD1-CD2 4.26Å; I290-Y293 PolarHBondContact O-N 3.48Å; Y293-K295 VanDerWaalsContact C-N 3.31Å; Y293-K295 PolarHBondContact O-N 3.38Å; Y293-H296 PolarHBondContact O-N 3.14Å; Y293-I297 WeakPolarHBondContact O-CB 3.47Å; Y293-I297 WeakPolarHBondContact O-CD1 3.39Å; Y293-I297 VanDerWaalsContact O-CG1 3.22Å; Y293-I297 WeakPolarHBondContact O-CG1 3.09Å; Y293-I297 PolarHBondContact O-N 3.09Å |
| 294 | L | 95.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 177.2 | -75.9 | 177.2 | 0 | 0 | 0 | 112.9 | V183 L192 V195 A199 V270 I290 L298 | V183-L294 HydrophobicContact CG1-CB 4.43Å; V183-L294 HydrophobicContact CG2-CB 4.1Å; L192-L294 HydrophobicContact CD1-CD1 4.44Å; V195-L294 HydrophobicContact CG1-CD1 4.02Å; A199-L294 HydrophobicContact CB-CD2 3.55Å; V270-L294 HydrophobicContact CG1-CD2 4.03Å; V270-L294 HydrophobicContact CG2-CD2 4.3Å; V270-L294 HydrophobicContact CG2-CG 4.38Å; I290-L294 HydrophobicContact CG2-CD1 4.13Å; I290-L294 HydrophobicContact CG2-CG 4.41Å; I290-L294 WeakPolarHBondContact O-CB 3.06Å; I290-L294 VanDerWaalsContact O-CG 3.26Å; I290-L294 WeakPolarHBondContact O-CG 3.5Å; I290-L294 PolarHBondContact O-N 2.69Å; L294-L298 PolarHBondContact O-N 3.48Å |
| 295 | K | 94.9 | Very high | 91 | Very high | 127 Ų | 127 | 51.1 Ų | 51.1 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.9 | -44.2 | 176.2 | -173 | -177.8 | 176.1 | -169.7 | 0 | 111.5 | Q291 A292 Y293 L298 D299 | Q291-K295 WeakPolarHBondContact O-CB 3.37Å; Q291-K295 PolarHBondContact O-N 3.43Å; A292-K295 PolarHBondContact O-N 3.18Å; Y293-K295 VanDerWaalsContact C-N 3.31Å; Y293-K295 PolarHBondContact O-N 3.38Å; K295-L298 WeakPolarHBondContact O-CB 3.44Å; K295-L298 PolarHBondContact O-N 2.87Å; K295-D299 PolarHBondContact O-N 2.98Å |
| 296 | H | 96.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 177 | -177.6 | -127.2 | 0 | 0 | 0 | 111.9 | N262 D266 A292 Y293 L298 D299 V300 | N262-H296 PolarHBondContact OD1-CE1 3.25Å; D266-H296 IonicContact OD2-CE1 3.35Å; D266-H296 IonicContact OD2-CG 3.33Å; D266-H296 IonicContact OD2-ND1 3.41Å; D266-H296 PolarHBondContact OD2-ND1 3.4Å; A292-H296 PolarHBondContact O-N 2.87Å; Y293-H296 PolarHBondContact O-N 3.14Å; H296-L298 VanDerWaalsContact C-N 3.33Å; H296-L298 PolarHBondContact O-N 3.34Å; H296-D299 PolarHBondContact O-N 2.68Å; H296-V300 WeakPolarHBondContact NE2-CG2 3.5Å; H296-V300 WeakPolarHBondContact O-CG2 3.44Å; H296-V300 PolarHBondContact O-N 3.1Å |
| 297 | I | 97.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 172.9 | -70.7 | 163.3 | 0 | 0 | 0 | 111.5 | L179 A203 F207 V263 D266 L267 V270 Y293 G301 | L179-I297 HydrophobicContact CD1-CG2 4.33Å; L179-I297 HydrophobicContact CD2-CG2 4.35Å; A203-I297 HydrophobicContact CB-CG2 3.38Å; F207-I297 HydrophobicContact CE2-CG2 4.06Å; F207-I297 HydrophobicContact CZ-CG2 4.22Å; V263-I297 HydrophobicContact CG2-CB 4.19Å; V263-I297 HydrophobicContact CG2-CG1 3.78Å; D266-I297 HydrophobicContact CB-CD1 4.34Å; D266-I297 HydrophobicContact CB-CG1 4.23Å; L267-I297 HydrophobicContact CB-CD1 4.3Å; L267-I297 HydrophobicContact CD1-CD1 4.17Å; V270-I297 HydrophobicContact CG2-CD1 4.07Å; Y293-I297 WeakPolarHBondContact O-CB 3.47Å; Y293-I297 WeakPolarHBondContact O-CD1 3.39Å; Y293-I297 VanDerWaalsContact O-CG1 3.22Å; Y293-I297 WeakPolarHBondContact O-CG1 3.09Å; Y293-I297 PolarHBondContact O-N 3.09Å; I297-G301 PolarHBondContact O-N 2.89Å |
| 298 | L | 97.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 175.9 | 174.6 | 64.6 | 0 | 0 | 0 | 111.7 | L179 K180 V183 L294 K295 H296 V300 G301 I302 | L179-L298 HydrophobicContact CD2-CD1 4.18Å; L179-L298 HydrophobicContact CG-CD1 3.92Å; K180-L298 HydrophobicContact CB-CD1 3.88Å; K180-L298 HydrophobicContact CG-CD1 4.4Å; K180-L298 HydrophobicContact CG-CD2 4.47Å; V183-L298 HydrophobicContact CB-CD2 4.11Å; V183-L298 HydrophobicContact CG1-CD2 4Å; V183-L298 HydrophobicContact CG2-CB 4.4Å; L294-L298 PolarHBondContact O-N 3.48Å; K295-L298 WeakPolarHBondContact O-CB 3.44Å; K295-L298 PolarHBondContact O-N 2.87Å; H296-L298 VanDerWaalsContact C-N 3.33Å; H296-L298 PolarHBondContact O-N 3.34Å; L298-V300 PolarHBondContact O-N 3.22Å; L298-G301 PolarHBondContact O-N 3.31Å; L298-I302 HydrophobicContact CD1-CD1 3.73Å; L298-I302 HydrophobicContact CD1-CG1 4.06Å; L298-I302 HydrophobicContact CG-CD1 3.9Å; L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.46Å |
| 299 | D | 97.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -41.8 | -175.3 | -72.8 | -23.2 | 0 | 0 | 0 | 111.9 | K295 H296 Q303 | K295-D299 PolarHBondContact O-N 2.98Å; H296-D299 PolarHBondContact O-N 2.68Å; D299-Q303 VanDerWaalsContact O-CG 3.31Å; D299-Q303 WeakPolarHBondContact O-CG 3.41Å; D299-Q303 PolarHBondContact O-N 3.37Å; D299-Q303 PolarHBondContact O-NE2 3.29Å; D299-Q303 VanDerWaalsContact O-NE2 3.15Å |
| 300 | V | 97.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -42.4 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | F207 V263 H296 L298 I302 Q303 C304 | F207-V300 HydrophobicContact CE1-CG1 4.33Å; V263-V300 HydrophobicContact CB-CB 4.21Å; V263-V300 HydrophobicContact CB-CG1 4.06Å; V263-V300 HydrophobicContact CB-CG2 4.25Å; V263-V300 HydrophobicContact CG1-CG1 3.95Å; V263-V300 HydrophobicContact CG2-CB 3.96Å; V263-V300 HydrophobicContact CG2-CG1 4.23Å; V263-V300 HydrophobicContact CG2-CG2 4.23Å; H296-V300 WeakPolarHBondContact NE2-CG2 3.5Å; H296-V300 WeakPolarHBondContact O-CG2 3.44Å; H296-V300 PolarHBondContact O-N 3.1Å; L298-V300 PolarHBondContact O-N 3.22Å; V300-I302 VanDerWaalsContact C-N 3.34Å; V300-I302 PolarHBondContact O-N 2.91Å; V300-Q303 PolarHBondContact O-N 3.15Å; V300-Q303 VanDerWaalsContact O-N 3.14Å; V300-C304 PolarHBondContact O-N 2.82Å |
| 301 | G | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I297 L298 R305 | I297-G301 PolarHBondContact O-N 2.89Å; L298-G301 PolarHBondContact O-N 3.31Å; G301-R305 WeakPolarHBondContact O-CB 3.43Å; G301-R305 PolarHBondContact O-N 3.1Å |
| 302 | I | 96.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 14% | 0.138 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 176 | -67.9 | 169.7 | 0 | 0 | 0 | 111 | E176 L298 V300 R306 | E176-I302 HydrophobicContact CG-CG1 3.98Å; L298-I302 HydrophobicContact CD1-CD1 3.73Å; L298-I302 HydrophobicContact CD1-CG1 4.06Å; L298-I302 HydrophobicContact CG-CD1 3.9Å; L298-I302 VanDerWaalsContact O-CG1 3.31Å; L298-I302 WeakPolarHBondContact O-CG1 3.39Å; L298-I302 PolarHBondContact O-N 3.46Å; V300-I302 VanDerWaalsContact C-N 3.34Å; V300-I302 PolarHBondContact O-N 2.91Å; I302-R306 HydrophobicContact CG2-CG 4.46Å; I302-R306 WeakPolarHBondContact O-CB 3.49Å; I302-R306 VanDerWaalsContact O-CG 3.28Å; I302-R306 WeakPolarHBondContact O-CG 3.25Å; I302-R306 PolarHBondContact O-N 3Å |
| 303 | Q | 95.7 | Very high | 93.7 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -50.3 | -179.6 | -74.9 | 175.8 | 68.2 | 0 | 0 | 111.5 | I257 D299 V300 R305 R306 Q307 | I257-Q303 HydrophobicContact CG2-CB 4.28Å; D299-Q303 VanDerWaalsContact O-CG 3.31Å; D299-Q303 WeakPolarHBondContact O-CG 3.41Å; D299-Q303 PolarHBondContact O-N 3.37Å; D299-Q303 PolarHBondContact O-NE2 3.29Å; D299-Q303 VanDerWaalsContact O-NE2 3.15Å; V300-Q303 PolarHBondContact O-N 3.15Å; V300-Q303 VanDerWaalsContact O-N 3.14Å; Q303-R305 PolarHBondContact O-N 3.33Å; Q303-R306 PolarHBondContact O-N 3.36Å; Q303-Q307 WeakPolarHBondContact O-CG 3.19Å; Q303-Q307 PolarHBondContact O-N 3.03Å |
| 304 | C | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 177.9 | -70 | 0 | 0 | 0 | 0 | 111.8 | I210 A254 I257 V300 R306 Q307 L308 | I210-C304 HydrophobicContact CD1-CB 3.23Å; I210-C304 HydrophobicContact CG1-CB 3.84Å; I210-C304 HydrophobicContact CG2-CB 4.16Å; A254-C304 WeakPolarHBondContact CB-O 3.48Å; A254-C304 PolarHBondContact O-SG 3.41Å; I257-C304 VanDerWaalsContact CG2-SG 3.52Å; V300-C304 PolarHBondContact O-N 2.82Å; C304-R306 PolarHBondContact O-N 2.82Å; C304-Q307 PolarHBondContact O-N 3.23Å; C304-Q307 VanDerWaalsContact O-N 3.16Å; C304-L308 PolarHBondContact O-N 3.14Å |
| 305 | R | 94.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 13% | 0.125 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | -179.4 | -167.2 | -136.8 | 50.9 | 83.1 | -1.1 | 112.4 | N169 A172 E176 L206 G301 Q303 Q307 L308 | N169-R305 PolarHBondContact OD1-NH1 3.33Å; N169-R305 VanDerWaalsContact OD1-NH1 3.09Å; A172-R305 HydrophobicContact CB-CG 3.79Å; E176-R305 WeakPolarHBondContact OE2-CD 3.4Å; E176-R305 IonicContact OE2-CZ 3.84Å; E176-R305 IonicContact OE2-NE 2.69Å; E176-R305 PolarHBondContact OE2-NE 3.15Å; E176-R305 IonicContact OE2-NH2 3.63Å; L206-R305 HydrophobicContact CD1-CB 4.26Å; L206-R305 HydrophobicContact CD1-CG 4.19Å; G301-R305 WeakPolarHBondContact O-CB 3.43Å; G301-R305 PolarHBondContact O-N 3.1Å; Q303-R305 PolarHBondContact O-N 3.33Å; R305-Q307 PolarHBondContact O-N 3.04Å; R305-L308 PolarHBondContact O-N 2.8Å |
| 306 | R | 93.8 | Very high | 93.4 | Very high | 155 Ų | 155 | 47.3 Ų | 47.3 | 59% | 0.585 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.7 | -36.5 | 176.1 | -78 | 175.9 | -179.3 | -174.4 | 1.3 | 112.2 | I302 Q303 C304 | I302-R306 HydrophobicContact CG2-CG 4.46Å; I302-R306 WeakPolarHBondContact O-CB 3.49Å; I302-R306 VanDerWaalsContact O-CG 3.28Å; I302-R306 WeakPolarHBondContact O-CG 3.25Å; I302-R306 PolarHBondContact O-N 3Å; Q303-R306 PolarHBondContact O-N 3.36Å; C304-R306 PolarHBondContact O-N 2.82Å |
| 307 | Q | 92.6 | Very high | 93.2 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -80.9 | -28.3 | 179 | -63.7 | -58.8 | -26.7 | 0 | 0 | 113.3 | S250 T253 A254 I257 Q303 C304 R305 Y309 A310 | S250-Q307 CarbonylContact C-O 3.42Å; S250-Q307 WeakPolarHBondContact CA-O 3.21Å; S250-Q307 WeakPolarHBondContact CB-O 3.27Å; T253-Q307 HydrophobicContact CG2-CB 4.24Å; T253-Q307 HydrophobicContact CG2-CG 4.07Å; A254-Q307 HydrophobicContact CB-CB 4.03Å; I257-Q307 HydrophobicContact CD1-CB 4.38Å; I257-Q307 HydrophobicContact CD1-CG 3.61Å; Q303-Q307 WeakPolarHBondContact O-CG 3.19Å; Q303-Q307 PolarHBondContact O-N 3.03Å; C304-Q307 PolarHBondContact O-N 3.23Å; C304-Q307 VanDerWaalsContact O-N 3.16Å; R305-Q307 PolarHBondContact O-N 3.04Å; Q307-Y309 PolarHBondContact O-N 3.23Å; Q307-Y309 VanDerWaalsContact O-N 3.14Å; Q307-A310 PolarHBondContact O-N 3.09Å |
| 308 | L | 87.5 | Confident | 92.8 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -33.4 | -174 | -175.1 | 60.6 | 0 | 0 | 0 | 113.7 | Q209 I210 H251 A254 C304 R305 | Q209-L308 HydrophobicContact CG-CD2 3.94Å; I210-L308 HydrophobicContact CG1-CD2 4.47Å; H251-L308 HydrophobicContact CB-CD1 4.32Å; A254-L308 HydrophobicContact CB-CB 4.26Å; A254-L308 HydrophobicContact CB-CD1 4.41Å; C304-L308 PolarHBondContact O-N 3.14Å; R305-L308 PolarHBondContact O-N 2.8Å |
| 309 | Y | 81.8 | Confident | 92.5 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 22.5 | -178.2 | -56.9 | -71.1 | 0 | 0 | 0 | 113.5 | A168 N169 A172 Q209 G213 Q307 | A168-Y309 HydrophobicContact CB-CE1 4.42Å; A168-Y309 WeakPolarHBondContact CB-OH 3.33Å; N169-Y309 HydrophobicContact CB-CD2 3.48Å; N169-Y309 VanDerWaalsContact CB-CD2 3.48Å; N169-Y309 HydrophobicContact CB-CE2 3.81Å; N169-Y309 HydrophobicContact CB-CG 3.88Å; N169-Y309 VanDerWaalsContact OD1-CD2 3.3Å; N169-Y309 WeakPolarHBondContact OD1-CD2 3.46Å; A172-Y309 HydrophobicContact CB-CE2 4.46Å; Q209-Y309 PolarHBondContact NE2-OH 2.88Å; G213-Y309 PolarHBondContact O-OH 3.04Å; Q307-Y309 PolarHBondContact O-N 3.23Å; Q307-Y309 VanDerWaalsContact O-N 3.14Å |
| 310 | A | 80.2 | Confident | 92 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 89% | 0.893 | 26% | 0.26 | S | S | * | . | trans | -66.6 | 0 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | S250 Q307 | S250-A310 VanDerWaalsContact CB-OXT 3.28Å; S250-A310 WeakPolarHBondContact CB-OXT 3.22Å; Q307-A310 PolarHBondContact O-N 3.09Å |
Retrieved 310 of 310 residues in 532.6 ms
(Link to these results)