| 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 | 53.3 | Low | 60.5 | Low | 100 Ų | 100 | 100.3 Ų | 100.3 | 49% | 0.493 | 47% | 0.472 | S | S | . | . | 0 | -43 | 0 | -93.6 | -166 | -107.9 | 0 | 0 | 112.9 | W3 I4 L5 L49 C52 | M1-W3 VanDerWaalsContact C-N 3.28Å; M1-W3 PolarHBondContact O-N 3.25Å; M1-I4 PolarHBondContact O-N 3.47Å; M1-I4 VanDerWaalsContact O-N 3.16Å; M1-L5 HydrophobicContact CB-CD1 4.38Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.17Å; M1-L49 HydrophobicContact CE-CB 3.9Å; M1-L49 HydrophobicContact CE-CD1 3.44Å; M1-L49 VanDerWaalsContact CE-CD1 3.44Å; M1-L49 HydrophobicContact CE-CG 4.26Å; M1-L49 HydrophobicContact CG-CD1 3.33Å; M1-L49 HydrophobicContact SD-CD1 3.27Å; M1-L49 WeakPolarHBondContact SD-CD1 3.46Å; M1-L49 HydrophobicContact SD-CG 4.5Å; M1-C52 HydrophobicContact CE-CB 3.99Å; M1-C52 HydrophobicContact SD-CB 3.69Å | |||
| 2 | E | 48 | Very low | 62.8 | Low | 157 Ų | 157 | 92.6 Ų | 92.6 | 73% | 0.734 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -52.6 | -40.6 | -179.2 | -73.9 | -168.3 | 130.4 | 0 | 0 | 114.1 | I4 L5 T6 | E2-I4 PolarHBondContact O-N 3.45Å; E2-L5 PolarHBondContact O-N 3.18Å; E2-T6 WeakPolarHBondContact O-CB 3.36Å; E2-T6 VanDerWaalsContact O-CG2 3.27Å; E2-T6 WeakPolarHBondContact O-CG2 3.5Å; E2-T6 PolarHBondContact O-N 3.23Å; E2-T6 PolarHBondContact O-OG1 2.91Å |
| 3 | W | 52 | Low | 64.7 | Low | 201 Ų | 201 | 91.1 Ų | 91.1 | 76% | 0.761 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 178.9 | -66.1 | 92 | 0 | 0 | 0 | 114.2 | M1 T6 H7 | M1-W3 VanDerWaalsContact C-N 3.28Å; M1-W3 PolarHBondContact O-N 3.25Å; W3-T6 WeakPolarHBondContact CA-OG1 3.5Å; W3-T6 PolarHBondContact O-OG1 3.44Å; W3-T6 VanDerWaalsContact O-OG1 3.12Å; W3-H7 PolarHBondContact O-N 2.71Å |
| 4 | I | 56.3 | Low | 66.5 | Low | 51 Ų | 51 | 91.6 Ų | 91.6 | 26% | 0.262 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.6 | -40.2 | 180 | -65.6 | 171.6 | 0 | 0 | 0 | 110.2 | M1 E2 V8 L24 Y38 | M1-I4 PolarHBondContact O-N 3.47Å; M1-I4 VanDerWaalsContact O-N 3.16Å; E2-I4 PolarHBondContact O-N 3.45Å; I4-V8 WeakPolarHBondContact O-CB 3.35Å; I4-V8 PolarHBondContact O-N 3.23Å; I4-L24 HydrophobicContact CG2-CD2 3.42Å; I4-L24 VanDerWaalsContact CG2-CD2 3.42Å; I4-Y38 HydrophobicContact CD1-CE1 3.95Å; I4-Y38 HydrophobicContact CD1-CE2 4.18Å |
| 5 | L | 56.3 | Low | 68.1 | Low | 31 Ų | 31 | 86.1 Ų | 86.1 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -80.5 | -17.9 | -178.1 | -71.4 | 160.3 | 0 | 0 | 0 | 113.3 | M1 E2 R9 N56 | M1-L5 HydrophobicContact CB-CD1 4.38Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-L5 VanDerWaalsContact O-N 3.17Å; E2-L5 PolarHBondContact O-N 3.18Å; L5-R9 WeakPolarHBondContact O-CB 3.39Å; L5-R9 VanDerWaalsContact O-CG 3.27Å; L5-R9 WeakPolarHBondContact O-CG 3.25Å; L5-R9 PolarHBondContact O-NE 3.09Å; L5-N56 HydrophobicContact CD1-CB 4.12Å; L5-N56 WeakPolarHBondContact CD1-ND2 3.12Å; L5-N56 HydrophobicContact CD2-CB 4.17Å |
| 6 | T | 58.9 | Low | 69.5 | Low | 72 Ų | 72 | 83.4 Ų | 83.4 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -83.6 | -44.8 | 176.4 | 42.8 | 0 | 0 | 0 | 0 | 112.4 | E2 W3 | E2-T6 WeakPolarHBondContact O-CB 3.36Å; E2-T6 VanDerWaalsContact O-CG2 3.27Å; E2-T6 WeakPolarHBondContact O-CG2 3.5Å; E2-T6 PolarHBondContact O-N 3.23Å; E2-T6 PolarHBondContact O-OG1 2.91Å; W3-T6 WeakPolarHBondContact CA-OG1 3.5Å; W3-T6 PolarHBondContact O-OG1 3.44Å; W3-T6 VanDerWaalsContact O-OG1 3.12Å |
| 7 | H | 58.4 | Low | 70.7 | Confident | 148 Ų | 148 | 79.8 Ų | 79.8 | 69% | 0.685 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -87.2 | -33.2 | -174.9 | -79.6 | 71.7 | 0 | 0 | 0 | 114.2 | W3 | W3-H7 PolarHBondContact O-N 2.71Å |
| 8 | V | 62.2 | Low | 71.8 | Confident | 31 Ų | 31 | 81.3 Ų | 81.3 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -107.9 | 7.3 | -171.8 | -162.9 | 0 | 0 | 0 | 0 | 111.6 | I4 N10 E11 V12 V26 | I4-V8 WeakPolarHBondContact O-CB 3.35Å; I4-V8 PolarHBondContact O-N 3.23Å; V8-N10 VanDerWaalsContact C-N 3.3Å; V8-N10 PolarHBondContact O-N 3.48Å; V8-N10 VanDerWaalsContact O-N 3.07Å; V8-E11 HydrophobicContact CG1-CB 3.82Å; V8-E11 WeakPolarHBondContact O-CA 3.45Å; V8-E11 PolarHBondContact O-N 3.29Å; V8-V12 HydrophobicContact CB-CG2 4.49Å; V8-V12 HydrophobicContact CG1-CG2 4.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.46Å; V8-V12 PolarHBondContact O-N 3.01Å; V8-V12 VanDerWaalsContact O-N 3.14Å; V8-V26 HydrophobicContact CG1-CB 4.24Å; V8-V26 HydrophobicContact CG1-CG1 3.37Å; V8-V26 HydrophobicContact CG1-CG2 3.76Å |
| 9 | R | 67.1 | Low | 72.7 | Confident | 104 Ų | 104 | 79.4 Ų | 79.4 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -46.5 | -167.8 | -154.8 | -179.1 | -48.2 | 163 | 17.4 | 114.7 | L5 | L5-R9 WeakPolarHBondContact O-CB 3.39Å; L5-R9 VanDerWaalsContact O-CG 3.27Å; L5-R9 WeakPolarHBondContact O-CG 3.25Å; L5-R9 PolarHBondContact O-NE 3.09Å |
| 10 | N | 70.4 | Confident | 73.7 | Confident | 143 Ų | 143 | 81 Ų | 81 | 77% | 0.765 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.6 | -175.8 | -71.1 | -14.3 | 0 | 0 | 0 | 112.8 | V8 | V8-N10 VanDerWaalsContact C-N 3.3Å; V8-N10 PolarHBondContact O-N 3.48Å; V8-N10 VanDerWaalsContact O-N 3.07Å |
| 11 | E | 83.3 | Confident | 74.6 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -14.7 | -176.5 | -57.9 | -177.3 | 175.9 | 0 | 0 | 111.6 | V8 T13 V26 S27 | V8-E11 HydrophobicContact CG1-CB 3.82Å; V8-E11 WeakPolarHBondContact O-CA 3.45Å; V8-E11 PolarHBondContact O-N 3.29Å; E11-T13 PolarHBondContact O-N 3.18Å; E11-V26 HydrophobicContact CB-CG1 3.55Å; E11-V26 CarbonylContact O-C 3.54Å; E11-V26 WeakPolarHBondContact O-CA 3.4Å; E11-S27 WeakPolarHBondContact CB-O 3.43Å; E11-S27 PolarHBondContact O-N 3.37Å |
| 12 | V | 87.2 | Confident | 76.5 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 119.7 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | V8 L15 L24 Q57 K61 | V8-V12 HydrophobicContact CB-CG2 4.49Å; V8-V12 HydrophobicContact CG1-CG2 4.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.46Å; V8-V12 PolarHBondContact O-N 3.01Å; V8-V12 VanDerWaalsContact O-N 3.14Å; V12-L15 HydrophobicContact CG1-CD2 3.77Å; V12-L15 HydrophobicContact CG1-CG 4.27Å; V12-L24 HydrophobicContact CB-CD1 4.26Å; V12-L24 HydrophobicContact CG1-CD1 3.52Å; V12-L24 HydrophobicContact CG2-CD1 3.74Å; V12-Q57 PolarHBondContact O-NE2 2.92Å; V12-K61 PolarHBondContact O-NZ 3.06Å |
| 13 | T | 87.8 | Confident | 78.6 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -44.2 | 180 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | E11 Y25 | E11-T13 PolarHBondContact O-N 3.18Å; T13-Y25 PolarHBondContact N-O 2.79Å; T13-Y25 WeakPolarHBondContact OG1-CB 3.46Å; T13-Y25 PolarHBondContact OG1-O 2.79Å |
| 14 | K | 89.4 | Confident | 80.5 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 43% | 0.426 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 147.4 | -176.1 | -174.3 | 175.4 | -178.3 | 176.9 | 0 | 111.3 | Y25 | K14-Y25 HydrophobicContact CB-CD2 3.83Å; K14-Y25 HydrophobicContact CB-CG 4.05Å; K14-Y25 HydrophobicContact CD-CD2 4.43Å; K14-Y25 HydrophobicContact CD-CE2 4.49Å; K14-Y25 HydrophobicContact CG-CD2 4.1Å; K14-Y25 HydrophobicContact CG-CE2 4.48Å; K14-Y25 PolarHBondContact N-O 2.86Å; K14-Y25 WeakPolarHBondContact O-CB 3.23Å; K14-Y25 WeakPolarHBondContact O-CD2 3.44Å; K14-Y25 PolarHBondContact O-N 2.86Å |
| 15 | L | 90.5 | Very high | 82.1 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.9 | 173.8 | -57.8 | -179.6 | 0 | 0 | 0 | 109.2 | V12 F22 L24 W50 I54 | V12-L15 HydrophobicContact CG1-CD2 3.77Å; V12-L15 HydrophobicContact CG1-CG 4.27Å; L15-F22 HydrophobicContact CB-CE2 4.34Å; L15-F22 HydrophobicContact CD2-CE2 4.36Å; L15-F22 HydrophobicContact CD2-CZ 3.75Å; L15-L24 HydrophobicContact CD2-CD1 3.22Å; L15-L24 HydrophobicContact CD2-CG 4.47Å; L15-W50 PolarHBondContact O-NE1 2.93Å; L15-I54 HydrophobicContact CB-CD1 4.04Å; L15-I54 HydrophobicContact CD1-CD1 3.95Å; L15-I54 HydrophobicContact CD1-CG1 4.33Å; L15-I54 HydrophobicContact CG-CD1 4.38Å |
| 16 | K | 90.8 | Very high | 83.7 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 19% | 0.191 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 151 | 174.6 | -163.8 | -160.4 | 178.6 | -155.1 | 0 | 108.7 | E18 F22 Y23 Y25 S73 | K16-E18 IonicContact NZ-OE2 2.72Å; K16-E18 PolarHBondContact NZ-OE2 3.31Å; K16-F22 WeakPolarHBondContact O-CD2 3.43Å; K16-Y23 HydrophobicContact CB-CD2 4.4Å; K16-Y23 HydrophobicContact CD-CD2 4.4Å; K16-Y23 PolarHBondContact N-O 2.82Å; K16-Y23 PolarHBondContact O-N 2.78Å; K16-Y25 HydrophobicContact CB-CE2 4.14Å; K16-S73 VanDerWaalsContact CG-O 3.22Å; K16-S73 WeakPolarHBondContact CG-O 3.42Å |
| 17 | F | 90.5 | Very high | 85.1 | Confident | 21 Ų | 21 | 58 Ų | 58 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.8 | 166.7 | 86.5 | -87.9 | 0 | 0 | 0 | 110.2 | T21 F22 K47 W50 S73 | F17-T21 CarbonylContact C-O 3.52Å; F17-T21 VanDerWaalsContact CA-O 3.28Å; F17-T21 WeakPolarHBondContact CA-O 3.44Å; F17-F22 HydrophobicContact CB-CD2 4.31Å; F17-K47 HydrophobicContact CE1-CB 4.34Å; F17-K47 HydrophobicContact CE1-CG 4.16Å; F17-K47 HydrophobicContact CE2-CB 3.95Å; F17-K47 HydrophobicContact CE2-CG 4.43Å; F17-K47 HydrophobicContact CZ-CB 3.82Å; F17-K47 HydrophobicContact CZ-CD 4.29Å; F17-K47 HydrophobicContact CZ-CG 3.8Å; F17-W50 HydrophobicContact CB-CB 4.1Å; F17-W50 HydrophobicContact CB-CG 4.38Å; F17-W50 HydrophobicContact CD1-CB 3.67Å; F17-W50 AromaticContact CD1-CD2 3.56Å; F17-W50 HydrophobicContact CD1-CD2 3.56Å; F17-W50 AromaticContact CD1-CE3 3.83Å; F17-W50 HydrophobicContact CD1-CE3 3.83Å; F17-W50 AromaticContact CD1-CG 3.49Å; F17-W50 HydrophobicContact CD1-CG 3.49Å; F17-W50 VanDerWaalsContact CD1-CG 3.49Å; F17-W50 HydrophobicContact CE1-CB 4.45Å; F17-W50 AromaticContact CE1-CD2 3.83Å; F17-W50 HydrophobicContact CE1-CD2 3.83Å; F17-W50 AromaticContact CE1-CE3 3.6Å; F17-W50 HydrophobicContact CE1-CE3 3.6Å; F17-W50 HydrophobicContact CE1-CG 4.22Å; F17-W50 HydrophobicContact CE1-CZ3 4.09Å; F17-W50 HydrophobicContact CG-CB 4.15Å; F17-W50 HydrophobicContact CG-CG 4.33Å; F17-S73 VanDerWaalsContact CD1-CB 3.46Å |
| 18 | E | 90.2 | Very high | 86.3 | Confident | 107 Ų | 107 | 54.9 Ų | 54.9 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 110.7 | -179.7 | -165.7 | 166.2 | 157.5 | 0 | 0 | 108.9 | K16 K20 T21 Y23 | K16-E18 IonicContact NZ-OE2 2.72Å; K16-E18 PolarHBondContact NZ-OE2 3.31Å; E18-K20 PolarHBondContact O-N 3.13Å; E18-K20 VanDerWaalsContact O-N 3.13Å; E18-T21 PolarHBondContact N-O 2.82Å; E18-T21 WeakPolarHBondContact O-CB 3.28Å; E18-T21 PolarHBondContact O-N 3.42Å; E18-Y23 HydrophobicContact CB-CE2 4.03Å |
| 19 | G | 89.3 | Confident | 87 | Confident | 45 Ų | 45 | 63 Ų | 63 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -118.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T21 P43 C46 | G19-T21 VanDerWaalsContact C-N 3.35Å; G19-P43 WeakPolarHBondContact O-CA 3.43Å; G19-C46 WeakPolarHBondContact O-CB 3.39Å |
| 20 | K | 93 | Very high | 87.5 | Confident | 111 Ų | 111 | 64.2 Ų | 64.2 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.3 | 178.5 | -64.6 | -171.5 | -177.2 | -163.7 | 0 | 113.8 | E18 F39 A40 P41 P43 | E18-K20 PolarHBondContact O-N 3.13Å; E18-K20 VanDerWaalsContact O-N 3.13Å; K20-F39 WeakPolarHBondContact O-CA 3.3Å; K20-A40 WeakPolarHBondContact CB-O 3.45Å; K20-A40 PolarHBondContact O-N 3.46Å; K20-P41 WeakPolarHBondContact CE-O 3.18Å; K20-P41 PolarHBondContact NZ-O 3.32Å; K20-P43 HydrophobicContact CG-CB 4.44Å |
| 21 | T | 92.6 | Very high | 87.5 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 14% | 0.135 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.7 | -172.1 | -48.4 | 0 | 0 | 0 | 0 | 110.8 | F17 E18 G19 Y23 T37 Y38 F39 C46 | F17-T21 CarbonylContact C-O 3.52Å; F17-T21 VanDerWaalsContact CA-O 3.28Å; F17-T21 WeakPolarHBondContact CA-O 3.44Å; E18-T21 PolarHBondContact N-O 2.82Å; E18-T21 WeakPolarHBondContact O-CB 3.28Å; E18-T21 PolarHBondContact O-N 3.42Å; G19-T21 VanDerWaalsContact C-N 3.35Å; T21-Y23 HydrophobicContact CG2-CD2 4.47Å; T21-Y23 HydrophobicContact CG2-CE1 4.03Å; T21-Y23 HydrophobicContact CG2-CE2 3.83Å; T21-T37 HydrophobicContact CG2-CG2 3.43Å; T21-T37 VanDerWaalsContact CG2-CG2 3.43Å; T21-Y38 CarbonylContact C-O 3.57Å; T21-Y38 WeakPolarHBondContact CA-O 3.25Å; T21-F39 HydrophobicContact CG2-CD1 4.13Å; T21-F39 HydrophobicContact CG2-CE1 3.77Å; T21-F39 HydrophobicContact CG2-CZ 4.28Å; T21-F39 WeakPolarHBondContact OG1-CE1 3.24Å; T21-C46 PolarHBondContact O-SG 3.13Å; T21-C46 VanDerWaalsContact O-SG 3.42Å |
| 22 | F | 92.3 | Very high | 87.4 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.8 | 176.3 | 176.8 | -109.6 | 0 | 0 | 0 | 109.8 | L15 K16 F17 L24 T37 Y38 L49 W50 | L15-F22 HydrophobicContact CB-CE2 4.34Å; L15-F22 HydrophobicContact CD2-CE2 4.36Å; L15-F22 HydrophobicContact CD2-CZ 3.75Å; K16-F22 WeakPolarHBondContact O-CD2 3.43Å; F17-F22 HydrophobicContact CB-CD2 4.31Å; F22-L24 HydrophobicContact CE1-CB 4.08Å; F22-T37 WeakPolarHBondContact O-CA 3.5Å; F22-Y38 AromaticContact CD1-CD2 3.83Å; F22-Y38 HydrophobicContact CD1-CD2 3.83Å; F22-Y38 HydrophobicContact CD1-CG 4.47Å; F22-Y38 HydrophobicContact CE1-CD2 4.4Å; F22-Y38 PolarHBondContact N-O 2.84Å; F22-Y38 PolarHBondContact O-N 3.2Å; F22-L49 HydrophobicContact CB-CD2 3.93Å; F22-L49 HydrophobicContact CD1-CD2 3.79Å; F22-L49 HydrophobicContact CD1-CG 4.11Å; F22-L49 HydrophobicContact CD2-CD2 4.38Å; F22-L49 HydrophobicContact CD2-CG 4.18Å; F22-L49 HydrophobicContact CE1-CD1 4.32Å; F22-L49 HydrophobicContact CE1-CD2 4.35Å; F22-L49 HydrophobicContact CE1-CG 4.24Å; F22-L49 HydrophobicContact CE2-CG 4.32Å; F22-L49 HydrophobicContact CG-CD2 3.79Å; F22-L49 HydrophobicContact CG-CG 4.06Å; F22-L49 HydrophobicContact CZ-CD1 4.48Å; F22-L49 HydrophobicContact CZ-CG 4.32Å; F22-W50 HydrophobicContact CD2-CB 4.17Å; F22-W50 HydrophobicContact CE2-CB 4.02Å |
| 23 | Y | 91.9 | Very high | 87.4 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.5 | 179.3 | -57.1 | -87.6 | 0 | 0 | 0 | 110.1 | K16 E18 T21 I35 T37 | K16-Y23 HydrophobicContact CB-CD2 4.4Å; K16-Y23 HydrophobicContact CD-CD2 4.4Å; K16-Y23 PolarHBondContact N-O 2.82Å; K16-Y23 PolarHBondContact O-N 2.78Å; E18-Y23 HydrophobicContact CB-CE2 4.03Å; T21-Y23 HydrophobicContact CG2-CD2 4.47Å; T21-Y23 HydrophobicContact CG2-CE1 4.03Å; T21-Y23 HydrophobicContact CG2-CE2 3.83Å; Y23-I35 HydrophobicContact CD1-CG2 4.19Å; Y23-T37 HydrophobicContact CD1-CG2 4.29Å; Y23-T37 HydrophobicContact CE1-CG2 4.04Å |
| 24 | L | 91.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 112.4 | 177.9 | 172.5 | 66.4 | 0 | 0 | 0 | 108.7 | I4 V12 L15 F22 V26 L36 Y38 | I4-L24 HydrophobicContact CG2-CD2 3.42Å; I4-L24 VanDerWaalsContact CG2-CD2 3.42Å; V12-L24 HydrophobicContact CB-CD1 4.26Å; V12-L24 HydrophobicContact CG1-CD1 3.52Å; V12-L24 HydrophobicContact CG2-CD1 3.74Å; L15-L24 HydrophobicContact CD2-CD1 3.22Å; L15-L24 HydrophobicContact CD2-CG 4.47Å; F22-L24 HydrophobicContact CE1-CB 4.08Å; L24-V26 HydrophobicContact CD2-CG2 4.25Å; L24-V26 HydrophobicContact CG-CG2 3.88Å; L24-L36 HydrophobicContact CB-CB 4.13Å; L24-L36 HydrophobicContact CD2-CB 4.36Å; L24-L36 HydrophobicContact CD2-CD1 3.91Å; L24-L36 HydrophobicContact CG-CB 4.48Å; L24-L36 PolarHBondContact N-O 2.9Å; L24-L36 PolarHBondContact O-N 3.45Å; L24-Y38 HydrophobicContact CB-CE2 4.2Å; L24-Y38 HydrophobicContact CD2-CE2 4.05Å |
| 25 | Y | 91 | Very high | 87.6 | Confident | 67 Ų | 67 | 76 Ų | 76 | 26% | 0.263 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.8 | 178.4 | -62.9 | -99.9 | 0 | 0 | 0 | 109.2 | T13 K14 K16 I35 | T13-Y25 PolarHBondContact N-O 2.79Å; T13-Y25 WeakPolarHBondContact OG1-CB 3.46Å; T13-Y25 PolarHBondContact OG1-O 2.79Å; K14-Y25 HydrophobicContact CB-CD2 3.83Å; K14-Y25 HydrophobicContact CB-CG 4.05Å; K14-Y25 HydrophobicContact CD-CD2 4.43Å; K14-Y25 HydrophobicContact CD-CE2 4.49Å; K14-Y25 HydrophobicContact CG-CD2 4.1Å; K14-Y25 HydrophobicContact CG-CE2 4.48Å; K14-Y25 PolarHBondContact N-O 2.86Å; K14-Y25 WeakPolarHBondContact O-CB 3.23Å; K14-Y25 WeakPolarHBondContact O-CD2 3.44Å; K14-Y25 PolarHBondContact O-N 2.86Å; K16-Y25 HydrophobicContact CB-CE2 4.14Å; Y25-I35 HydrophobicContact CD1-CD1 4.05Å; Y25-I35 HydrophobicContact CD1-CG1 3.77Å; Y25-I35 HydrophobicContact CE1-CD1 3.62Å; Y25-I35 HydrophobicContact CE1-CG1 3.84Å; Y25-I35 HydrophobicContact CE1-CG2 4.41Å |
| 26 | V | 89.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 78.3 Ų | 78.3 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.6 | -177.7 | -175.4 | 0 | 0 | 0 | 0 | 109 | V8 E11 L24 K33 I34 L36 | V8-V26 HydrophobicContact CG1-CB 4.24Å; V8-V26 HydrophobicContact CG1-CG1 3.37Å; V8-V26 HydrophobicContact CG1-CG2 3.76Å; E11-V26 HydrophobicContact CB-CG1 3.55Å; E11-V26 CarbonylContact O-C 3.54Å; E11-V26 WeakPolarHBondContact O-CA 3.4Å; L24-V26 HydrophobicContact CD2-CG2 4.25Å; L24-V26 HydrophobicContact CG-CG2 3.88Å; V26-K33 WeakPolarHBondContact O-CA 3.47Å; V26-I34 PolarHBondContact N-O 3.06Å; V26-I34 PolarHBondContact O-N 2.86Å; V26-L36 HydrophobicContact CG2-CD1 4Å |
| 27 | S | 87.7 | Confident | 87.7 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.4 | 171.4 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | E11 | E11-S27 WeakPolarHBondContact CB-O 3.43Å; E11-S27 PolarHBondContact O-N 3.37Å |
| 28 | Q | 83.4 | Confident | 87.8 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | trans | -84.6 | 164.2 | 173.8 | -155.5 | 179.4 | 47 | 0 | 0 | 110.4 | E30 E31 K32 | Q28-E30 PolarHBondContact O-N 2.85Å; Q28-E30 VanDerWaalsContact O-N 3.1Å; Q28-E31 PolarHBondContact O-N 2.84Å; Q28-E31 VanDerWaalsContact O-N 3.17Å; Q28-K32 PolarHBondContact N-O 2.99Å | ||
| 29 | K | 76.1 | Confident | 88 | Confident | 202 Ų | 202 | 84.6 Ų | 84.6 | 88% | 0.878 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.2 | -178.2 | -69.1 | -177.9 | 179 | 178.6 | 0 | 115.1 | E31 | K29-E31 VanDerWaalsContact C-N 3.31Å; K29-E31 PolarHBondContact O-N 2.96Å |
| 30 | E | 78.9 | Confident | 88.2 | Confident | 129 Ų | 129 | 83.2 Ų | 83.2 | 60% | 0.603 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 25.2 | 177.7 | -62.1 | -179.6 | 175.2 | 0 | 0 | 113.2 | Q28 K32 | Q28-E30 PolarHBondContact O-N 2.85Å; Q28-E30 VanDerWaalsContact O-N 3.1Å; E30-K32 HydrophobicContact CB-CD 4.36Å; E30-K32 HydrophobicContact CB-CG 4.42Å; E30-K32 PolarHBondContact O-N 3.43Å; E30-K32 WeakPolarHBondContact OE2-CE 3.49Å; E30-K32 IonicContact OE2-NZ 2.71Å; E30-K32 PolarHBondContact OE2-NZ 3.23Å |
| 31 | E | 69.4 | Low | 88.2 | Confident | 173 Ų | 173 | 82.9 Ų | 82.9 | 81% | 0.808 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 56.7 | 2.6 | -172.9 | -63.1 | -167.1 | 160.2 | 0 | 0 | 116.1 | Q28 K29 K33 | Q28-E31 PolarHBondContact O-N 2.84Å; Q28-E31 VanDerWaalsContact O-N 3.17Å; K29-E31 VanDerWaalsContact C-N 3.31Å; K29-E31 PolarHBondContact O-N 2.96Å; E31-K33 PolarHBondContact O-N 3.06Å |
| 32 | K | 81.4 | Confident | 88.3 | Confident | 121 Ų | 121 | 84.6 Ų | 84.6 | 53% | 0.526 | 41% | 0.408 | S | S | . | . | trans | -66.5 | 119.4 | 174.2 | -69.8 | 172.5 | -176.8 | 160 | 0 | 109.5 | Q28 E30 | Q28-K32 PolarHBondContact N-O 2.99Å; E30-K32 HydrophobicContact CB-CD 4.36Å; E30-K32 HydrophobicContact CB-CG 4.42Å; E30-K32 PolarHBondContact O-N 3.43Å; E30-K32 WeakPolarHBondContact OE2-CE 3.49Å; E30-K32 IonicContact OE2-NZ 2.71Å; E30-K32 PolarHBondContact OE2-NZ 3.23Å | ||
| 33 | K | 87.8 | Confident | 88.3 | Confident | 177 Ų | 177 | 86.5 Ų | 86.5 | 77% | 0.77 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114.8 | 173.6 | -66.6 | 175.7 | -175.6 | 168.7 | 0 | 108.8 | V26 E31 | V26-K33 WeakPolarHBondContact O-CA 3.47Å; E31-K33 PolarHBondContact O-N 3.06Å |
| 34 | I | 90.1 | Very high | 88.3 | Confident | 72 Ų | 72 | 89.8 Ų | 89.8 | 37% | 0.369 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.8 | 176.4 | -57.7 | 173.2 | 0 | 0 | 0 | 108 | V26 L36 | V26-I34 PolarHBondContact N-O 3.06Å; V26-I34 PolarHBondContact O-N 2.86Å; I34-L36 HydrophobicContact CG2-CD2 3.96Å; I34-L36 HydrophobicContact CG2-CG 4.21Å |
| 35 | I | 91.3 | Very high | 88.4 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.2 | 173.3 | -54.5 | 176.6 | 0 | 0 | 0 | 107.3 | Y23 Y25 | Y23-I35 HydrophobicContact CD1-CG2 4.19Å; Y25-I35 HydrophobicContact CD1-CD1 4.05Å; Y25-I35 HydrophobicContact CD1-CG1 3.77Å; Y25-I35 HydrophobicContact CE1-CD1 3.62Å; Y25-I35 HydrophobicContact CE1-CG1 3.84Å; Y25-I35 HydrophobicContact CE1-CG2 4.41Å |
| 36 | L | 90.6 | Very high | 88.5 | Confident | 57 Ų | 57 | 88.2 Ų | 88.2 | 30% | 0.298 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.3 | 173.6 | -59.9 | 172.7 | 0 | 0 | 0 | 108.4 | L24 V26 I34 Y38 | L24-L36 HydrophobicContact CB-CB 4.13Å; L24-L36 HydrophobicContact CD2-CB 4.36Å; L24-L36 HydrophobicContact CD2-CD1 3.91Å; L24-L36 HydrophobicContact CG-CB 4.48Å; L24-L36 PolarHBondContact N-O 2.9Å; L24-L36 PolarHBondContact O-N 3.45Å; V26-L36 HydrophobicContact CG2-CD1 4Å; I34-L36 HydrophobicContact CG2-CD2 3.96Å; I34-L36 HydrophobicContact CG2-CG 4.21Å; L36-Y38 HydrophobicContact CB-CD2 4.47Å; L36-Y38 HydrophobicContact CB-CE2 3.59Å |
| 37 | T | 93.6 | Very high | 88.6 | Confident | 65 Ų | 65 | 91.8 Ų | 91.8 | 40% | 0.399 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.1 | -179.2 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | T21 F22 Y23 F39 | T21-T37 HydrophobicContact CG2-CG2 3.43Å; T21-T37 VanDerWaalsContact CG2-CG2 3.43Å; F22-T37 WeakPolarHBondContact O-CA 3.5Å; Y23-T37 HydrophobicContact CD1-CG2 4.29Å; Y23-T37 HydrophobicContact CE1-CG2 4.04Å; T37-F39 HydrophobicContact CG2-CE2 4.1Å; T37-F39 HydrophobicContact CG2-CZ 4.01Å |
| 38 | Y | 92.3 | Very high | 88.8 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.1 | 178.8 | -59.4 | -85.5 | 0 | 0 | 0 | 109.9 | I4 T21 F22 L24 L36 | I4-Y38 HydrophobicContact CD1-CE1 3.95Å; I4-Y38 HydrophobicContact CD1-CE2 4.18Å; T21-Y38 CarbonylContact C-O 3.57Å; T21-Y38 WeakPolarHBondContact CA-O 3.25Å; F22-Y38 AromaticContact CD1-CD2 3.83Å; F22-Y38 HydrophobicContact CD1-CD2 3.83Å; F22-Y38 HydrophobicContact CD1-CG 4.47Å; F22-Y38 HydrophobicContact CE1-CD2 4.4Å; F22-Y38 PolarHBondContact N-O 2.84Å; F22-Y38 PolarHBondContact O-N 3.2Å; L24-Y38 HydrophobicContact CB-CE2 4.2Å; L24-Y38 HydrophobicContact CD2-CE2 4.05Å; L36-Y38 HydrophobicContact CB-CD2 4.47Å; L36-Y38 HydrophobicContact CB-CE2 3.59Å |
| 39 | F | 94.4 | Very high | 89.3 | Confident | 157 Ų | 157 | 93 Ų | 93 | 69% | 0.689 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.3 | 176.8 | -62.9 | -83.3 | 0 | 0 | 0 | 109.6 | K20 T21 T37 | K20-F39 WeakPolarHBondContact O-CA 3.3Å; T21-F39 HydrophobicContact CG2-CD1 4.13Å; T21-F39 HydrophobicContact CG2-CE1 3.77Å; T21-F39 HydrophobicContact CG2-CZ 4.28Å; T21-F39 WeakPolarHBondContact OG1-CE1 3.24Å; T37-F39 HydrophobicContact CG2-CE2 4.1Å; T37-F39 HydrophobicContact CG2-CZ 4.01Å |
| 40 | A | 93.8 | Very high | 90.1 | Very high | 15 Ų | 15 | 83.4 Ų | 83.4 | 12% | 0.124 | 42% | 0.416 | C | S | . | . | trans | -100 | 153.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K20 T42 A45 C46 | K20-A40 WeakPolarHBondContact CB-O 3.45Å; K20-A40 PolarHBondContact O-N 3.46Å; A40-T42 VanDerWaalsContact C-N 3.29Å; A40-T42 PolarHBondContact O-N 3.47Å; A40-A45 HydrophobicContact CB-CB 4.36Å; A40-C46 HydrophobicContact CB-CB 3.73Å | ||
| 41 | P | 93.1 | Very high | 90.7 | Very high | 104 Ų | 104 | 80.6 Ų | 80.6 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -64 | -35.1 | 179.7 | 24.1 | -33.2 | 0 | 0 | 0 | 112.6 | K20 | K20-P41 WeakPolarHBondContact CE-O 3.18Å; K20-P41 PolarHBondContact NZ-O 3.32Å |
| 42 | T | 94 | Very high | 91.7 | Very high | 59 Ų | 59 | 73.8 Ų | 73.8 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -131.5 | 151.7 | -179.5 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | A40 E44 A45 C46 | A40-T42 VanDerWaalsContact C-N 3.29Å; A40-T42 PolarHBondContact O-N 3.47Å; T42-E44 WeakPolarHBondContact CB-OE2 3.47Å; T42-E44 PolarHBondContact O-N 3.05Å; T42-A45 PolarHBondContact O-N 3.09Å; T42-A45 VanDerWaalsContact OG1-CB 3.25Å; T42-A45 WeakPolarHBondContact OG1-CB 3.33Å; T42-A45 PolarHBondContact OG1-N 3.45Å; T42-C46 PolarHBondContact O-N 2.99Å |
| 43 | P | 91.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 31% | 0.312 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.3 | -28.1 | 176.9 | 26.6 | -32.6 | 0 | 0 | 0 | 112.3 | G19 K20 C46 K47 | G19-P43 WeakPolarHBondContact O-CA 3.43Å; K20-P43 HydrophobicContact CG-CB 4.44Å; P43-C46 WeakPolarHBondContact O-CB 3.27Å; P43-C46 PolarHBondContact O-N 3.14Å; P43-K47 WeakPolarHBondContact O-CB 3.46Å; P43-K47 PolarHBondContact O-N 3.25Å |
| 44 | E | 92.3 | Very high | 92.3 | Very high | 130 Ų | 130 | 60 Ų | 60 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 174 | -62 | 70 | -148.3 | 0 | 0 | 110.9 | T42 C46 K47 H48 | T42-E44 WeakPolarHBondContact CB-OE2 3.47Å; T42-E44 PolarHBondContact O-N 3.05Å; E44-C46 VanDerWaalsContact C-N 3.32Å; E44-C46 PolarHBondContact O-N 2.77Å; E44-K47 PolarHBondContact O-N 3.14Å; E44-H48 WeakPolarHBondContact O-CB 3.49Å; E44-H48 PolarHBondContact O-N 3.42Å |
| 45 | A | 94.4 | Very high | 92.4 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A40 T42 H48 L49 | A40-A45 HydrophobicContact CB-CB 4.36Å; T42-A45 PolarHBondContact O-N 3.09Å; T42-A45 VanDerWaalsContact OG1-CB 3.25Å; T42-A45 WeakPolarHBondContact OG1-CB 3.33Å; T42-A45 PolarHBondContact OG1-N 3.45Å; A45-H48 PolarHBondContact O-N 3.33Å; A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 PolarHBondContact O-N 3.31Å |
| 46 | C | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 174.6 | -163 | 0 | 0 | 0 | 0 | 111.9 | G19 T21 A40 T42 P43 E44 H48 L49 W50 | G19-C46 WeakPolarHBondContact O-CB 3.39Å; T21-C46 PolarHBondContact O-SG 3.13Å; T21-C46 VanDerWaalsContact O-SG 3.42Å; A40-C46 HydrophobicContact CB-CB 3.73Å; T42-C46 PolarHBondContact O-N 2.99Å; P43-C46 WeakPolarHBondContact O-CB 3.27Å; P43-C46 PolarHBondContact O-N 3.14Å; E44-C46 VanDerWaalsContact C-N 3.32Å; E44-C46 PolarHBondContact O-N 2.77Å; C46-H48 VanDerWaalsContact C-N 3.34Å; C46-H48 PolarHBondContact O-N 2.89Å; C46-L49 WeakPolarHBondContact O-CB 3.34Å; C46-L49 PolarHBondContact O-N 2.88Å; C46-W50 PolarHBondContact O-N 3.36Å |
| 47 | K | 92.3 | Very high | 92.2 | Very high | 82 Ų | 82 | 57.7 Ų | 57.7 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.6 | -179.9 | 179.1 | 178.5 | 179.1 | 0 | 111.5 | F17 P43 E44 W50 K51 S81 | F17-K47 HydrophobicContact CE1-CB 4.34Å; F17-K47 HydrophobicContact CE1-CG 4.16Å; F17-K47 HydrophobicContact CE2-CB 3.95Å; F17-K47 HydrophobicContact CE2-CG 4.43Å; F17-K47 HydrophobicContact CZ-CB 3.82Å; F17-K47 HydrophobicContact CZ-CD 4.29Å; F17-K47 HydrophobicContact CZ-CG 3.8Å; P43-K47 WeakPolarHBondContact O-CB 3.46Å; P43-K47 PolarHBondContact O-N 3.25Å; E44-K47 PolarHBondContact O-N 3.14Å; K47-W50 PolarHBondContact O-N 3.36Å; K47-K51 WeakPolarHBondContact O-CG 3.37Å; K47-K51 PolarHBondContact O-N 3.34Å; K47-S81 VanDerWaalsContact CE-OG 3.3Å; K47-S81 WeakPolarHBondContact CE-OG 3.4Å |
| 48 | H | 92.4 | Very high | 92 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 54% | 0.537 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.8 | -175.8 | -98.1 | 0 | 0 | 0 | 111.4 | E44 A45 C46 W50 K51 C52 | E44-H48 WeakPolarHBondContact O-CB 3.49Å; E44-H48 PolarHBondContact O-N 3.42Å; A45-H48 PolarHBondContact O-N 3.33Å; C46-H48 VanDerWaalsContact C-N 3.34Å; C46-H48 PolarHBondContact O-N 2.89Å; H48-W50 VanDerWaalsContact C-N 3.28Å; H48-W50 PolarHBondContact O-N 3.33Å; H48-K51 WeakPolarHBondContact O-CB 3.27Å; H48-K51 PolarHBondContact O-N 2.89Å; H48-K51 VanDerWaalsContact O-N 3.09Å; H48-C52 PolarHBondContact CE1-SG 3.16Å; H48-C52 PolarHBondContact O-N 3.47Å; H48-C52 PolarHBondContact O-SG 3.17Å; H48-C52 VanDerWaalsContact O-SG 3.34Å |
| 49 | L | 92.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 18% | 0.183 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.6 | -45.3 | 173.4 | 165.3 | 61.3 | 0 | 0 | 0 | 112.1 | M1 F22 A45 C46 G53 | M1-L49 HydrophobicContact CE-CB 3.9Å; M1-L49 HydrophobicContact CE-CD1 3.44Å; M1-L49 VanDerWaalsContact CE-CD1 3.44Å; M1-L49 HydrophobicContact CE-CG 4.26Å; M1-L49 HydrophobicContact CG-CD1 3.33Å; M1-L49 HydrophobicContact SD-CD1 3.27Å; M1-L49 WeakPolarHBondContact SD-CD1 3.46Å; M1-L49 HydrophobicContact SD-CG 4.5Å; F22-L49 HydrophobicContact CB-CD2 3.93Å; F22-L49 HydrophobicContact CD1-CD2 3.79Å; F22-L49 HydrophobicContact CD1-CG 4.11Å; F22-L49 HydrophobicContact CD2-CD2 4.38Å; F22-L49 HydrophobicContact CD2-CG 4.18Å; F22-L49 HydrophobicContact CE1-CD1 4.32Å; F22-L49 HydrophobicContact CE1-CD2 4.35Å; F22-L49 HydrophobicContact CE1-CG 4.24Å; F22-L49 HydrophobicContact CE2-CG 4.32Å; F22-L49 HydrophobicContact CG-CD2 3.79Å; F22-L49 HydrophobicContact CG-CG 4.06Å; F22-L49 HydrophobicContact CZ-CD1 4.48Å; F22-L49 HydrophobicContact CZ-CG 4.32Å; A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 PolarHBondContact O-N 3.31Å; C46-L49 WeakPolarHBondContact O-CB 3.34Å; C46-L49 PolarHBondContact O-N 2.88Å; L49-G53 PolarHBondContact O-N 3.49Å |
| 50 | W | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.2 | 173.5 | 78.7 | 0 | 0 | 0 | 112.6 | L15 F17 F22 C46 K47 H48 G53 I54 V71 S81 F83 | L15-W50 PolarHBondContact O-NE1 2.93Å; F17-W50 HydrophobicContact CB-CB 4.1Å; F17-W50 HydrophobicContact CB-CG 4.38Å; F17-W50 HydrophobicContact CD1-CB 3.67Å; F17-W50 AromaticContact CD1-CD2 3.56Å; F17-W50 HydrophobicContact CD1-CD2 3.56Å; F17-W50 AromaticContact CD1-CE3 3.83Å; F17-W50 HydrophobicContact CD1-CE3 3.83Å; F17-W50 AromaticContact CD1-CG 3.49Å; F17-W50 HydrophobicContact CD1-CG 3.49Å; F17-W50 VanDerWaalsContact CD1-CG 3.49Å; F17-W50 HydrophobicContact CE1-CB 4.45Å; F17-W50 AromaticContact CE1-CD2 3.83Å; F17-W50 HydrophobicContact CE1-CD2 3.83Å; F17-W50 AromaticContact CE1-CE3 3.6Å; F17-W50 HydrophobicContact CE1-CE3 3.6Å; F17-W50 HydrophobicContact CE1-CG 4.22Å; F17-W50 HydrophobicContact CE1-CZ3 4.09Å; F17-W50 HydrophobicContact CG-CB 4.15Å; F17-W50 HydrophobicContact CG-CG 4.33Å; F22-W50 HydrophobicContact CD2-CB 4.17Å; F22-W50 HydrophobicContact CE2-CB 4.02Å; C46-W50 PolarHBondContact O-N 3.36Å; K47-W50 PolarHBondContact O-N 3.36Å; H48-W50 VanDerWaalsContact C-N 3.28Å; H48-W50 PolarHBondContact O-N 3.33Å; W50-G53 PolarHBondContact O-N 2.85Å; W50-I54 HydrophobicContact CD2-CG1 4.34Å; W50-I54 HydrophobicContact CZ2-CG1 4.28Å; W50-I54 WeakPolarHBondContact O-CG1 3.37Å; W50-I54 PolarHBondContact O-N 2.99Å; W50-V71 WeakPolarHBondContact CH2-O 3.46Å; W50-V71 HydrophobicContact CZ2-CB 4.23Å; W50-V71 HydrophobicContact CZ2-CG1 4.03Å; W50-S81 WeakPolarHBondContact CH2-O 3.49Å; W50-S81 WeakPolarHBondContact CZ3-OG 3.3Å; W50-F83 HydrophobicContact CE3-CB 4.48Å; W50-F83 HydrophobicContact CH2-CB 3.55Å; W50-F83 HydrophobicContact CZ3-CB 3.48Å; W50-F83 VanDerWaalsContact CZ3-CB 3.48Å; W50-F83 HydrophobicContact CZ3-CG 4.49Å |
| 51 | K | 92.4 | Very high | 91.2 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 30% | 0.3 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.2 | -51.5 | 176.4 | -72.9 | -179.7 | 178.8 | -174.9 | 0 | 111.7 | K47 H48 G53 I54 E55 F83 | K47-K51 WeakPolarHBondContact O-CG 3.37Å; K47-K51 PolarHBondContact O-N 3.34Å; H48-K51 WeakPolarHBondContact O-CB 3.27Å; H48-K51 PolarHBondContact O-N 2.89Å; H48-K51 VanDerWaalsContact O-N 3.09Å; K51-G53 PolarHBondContact O-N 2.98Å; K51-I54 PolarHBondContact O-N 3.23Å; K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 2.67Å; K51-F83 HydrophobicContact CB-CD2 4.47Å; K51-F83 HydrophobicContact CB-CE2 4.49Å; K51-F83 HydrophobicContact CD-CD2 4.02Å; K51-F83 HydrophobicContact CD-CE2 4.26Å; K51-F83 HydrophobicContact CG-CB 4.42Å; K51-F83 HydrophobicContact CG-CD2 3.85Å; K51-F83 HydrophobicContact CG-CE2 4.27Å; K51-F83 HydrophobicContact CG-CG 4.01Å |
| 52 | C | 91.5 | Very high | 90.8 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 177.4 | -65 | 0 | 0 | 0 | 0 | 111.6 | M1 H48 I54 E55 N56 | M1-C52 HydrophobicContact CE-CB 3.99Å; M1-C52 HydrophobicContact SD-CB 3.69Å; H48-C52 PolarHBondContact CE1-SG 3.16Å; H48-C52 PolarHBondContact O-N 3.47Å; H48-C52 PolarHBondContact O-SG 3.17Å; H48-C52 VanDerWaalsContact O-SG 3.34Å; C52-I54 PolarHBondContact O-N 2.95Å; C52-E55 PolarHBondContact O-N 3.45Å; C52-N56 WeakPolarHBondContact O-CB 3.39Å; C52-N56 PolarHBondContact O-N 3.49Å |
| 53 | G | 90.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L49 W50 K51 Q57 | L49-G53 PolarHBondContact O-N 3.49Å; W50-G53 PolarHBondContact O-N 2.85Å; K51-G53 PolarHBondContact O-N 2.98Å; G53-Q57 WeakPolarHBondContact O-CB 3.34Å; G53-Q57 PolarHBondContact O-N 3.38Å |
| 54 | I | 91.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 176.9 | -63.4 | -65 | 0 | 0 | 0 | 111.5 | L15 W50 K51 C52 N56 Q57 A58 V71 F83 | L15-I54 HydrophobicContact CB-CD1 4.04Å; L15-I54 HydrophobicContact CD1-CD1 3.95Å; L15-I54 HydrophobicContact CD1-CG1 4.33Å; L15-I54 HydrophobicContact CG-CD1 4.38Å; W50-I54 HydrophobicContact CD2-CG1 4.34Å; W50-I54 HydrophobicContact CZ2-CG1 4.28Å; W50-I54 WeakPolarHBondContact O-CG1 3.37Å; W50-I54 PolarHBondContact O-N 2.99Å; K51-I54 PolarHBondContact O-N 3.23Å; C52-I54 PolarHBondContact O-N 2.95Å; I54-N56 VanDerWaalsContact C-N 3.34Å; I54-N56 PolarHBondContact O-N 3.24Å; I54-Q57 PolarHBondContact O-N 2.97Å; I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 2.91Å; I54-V71 HydrophobicContact CD1-CB 3.96Å; I54-V71 HydrophobicContact CD1-CG1 3.72Å; I54-V71 HydrophobicContact CD1-CG2 3.99Å; I54-V71 HydrophobicContact CG1-CB 4.45Å; I54-V71 HydrophobicContact CG2-CB 4.38Å; I54-V71 HydrophobicContact CG2-CG2 4Å; I54-F83 HydrophobicContact CB-CD1 3.93Å; I54-F83 HydrophobicContact CB-CE1 4.26Å; I54-F83 HydrophobicContact CG2-CD1 3.65Å; I54-F83 HydrophobicContact CG2-CE1 4.01Å |
| 55 | E | 91.3 | Very high | 89.8 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 176 | -67.7 | 175.4 | 168.4 | 0 | 0 | 111 | K51 C52 Q57 A58 F59 F83 Y85 | K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 2.67Å; C52-E55 PolarHBondContact O-N 3.45Å; E55-Q57 VanDerWaalsContact C-N 3.32Å; E55-Q57 PolarHBondContact O-N 2.83Å; E55-A58 PolarHBondContact O-N 3.48Å; E55-F59 WeakPolarHBondContact O-CB 3.49Å; E55-F59 PolarHBondContact O-N 3.12Å; E55-F83 HydrophobicContact CG-CE1 3.5Å; E55-F83 VanDerWaalsContact CG-CE1 3.5Å; E55-F83 HydrophobicContact CG-CZ 3.47Å; E55-F83 VanDerWaalsContact CG-CZ 3.47Å; E55-F83 WeakPolarHBondContact OE1-CZ 3.46Å; E55-Y85 HydrophobicContact CB-CD2 4.07Å; E55-Y85 HydrophobicContact CB-CE2 4.46Å; E55-Y85 HydrophobicContact CG-CD2 4.06Å |
| 56 | N | 89.6 | Confident | 89.2 | Confident | 46 Ų | 46 | 57 Ų | 57 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -37.4 | -179.6 | -138.2 | 42.5 | 0 | 0 | 0 | 111.8 | L5 C52 I54 Y60 | L5-N56 HydrophobicContact CD1-CB 4.12Å; L5-N56 WeakPolarHBondContact CD1-ND2 3.12Å; L5-N56 HydrophobicContact CD2-CB 4.17Å; C52-N56 WeakPolarHBondContact O-CB 3.39Å; C52-N56 PolarHBondContact O-N 3.49Å; I54-N56 VanDerWaalsContact C-N 3.34Å; I54-N56 PolarHBondContact O-N 3.24Å; N56-Y60 WeakPolarHBondContact O-CD2 3.47Å; N56-Y60 PolarHBondContact O-N 3.49Å; N56-Y60 VanDerWaalsContact O-N 3.11Å; N56-Y60 WeakPolarHBondContact OD1-CE2 3.44Å |
| 57 | Q | 87.9 | Confident | 88.7 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 174 | -169.2 | 177.1 | 43.3 | 0 | 0 | 111.1 | V12 G53 I54 E55 K61 | V12-Q57 PolarHBondContact O-NE2 2.92Å; G53-Q57 WeakPolarHBondContact O-CB 3.34Å; G53-Q57 PolarHBondContact O-N 3.38Å; I54-Q57 PolarHBondContact O-N 2.97Å; E55-Q57 VanDerWaalsContact C-N 3.32Å; E55-Q57 PolarHBondContact O-N 2.83Å; Q57-K61 HydrophobicContact CG-CB 4.23Å; Q57-K61 HydrophobicContact CG-CD 3.99Å; Q57-K61 WeakPolarHBondContact O-CA 3.06Å; Q57-K61 WeakPolarHBondContact O-CB 3.39Å; Q57-K61 PolarHBondContact O-N 3.3Å |
| 58 | A | 89.9 | Confident | 88.3 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | I54 E55 L62 V68 Y85 V89 | I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 2.91Å; E55-A58 PolarHBondContact O-N 3.48Å; A58-L62 HydrophobicContact CB-CD1 4.23Å; A58-L62 WeakPolarHBondContact O-CB 3.38Å; A58-V68 HydrophobicContact CB-CG1 4.4Å; A58-V68 HydrophobicContact CB-CG2 4.31Å; A58-Y85 HydrophobicContact CB-CD1 3.66Å; A58-Y85 HydrophobicContact CB-CD2 4.09Å; A58-Y85 HydrophobicContact CB-CE1 4.31Å; A58-Y85 HydrophobicContact CB-CG 3.52Å; A58-V89 WeakPolarHBondContact O-CG1 3.49Å |
| 59 | F | 89.9 | Confident | 87.9 | Confident | 56 Ų | 56 | 63 Ų | 63 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | -177.3 | -178 | -106.4 | 0 | 0 | 0 | 112.9 | E55 R88 A90 V93 | E55-F59 WeakPolarHBondContact O-CB 3.49Å; E55-F59 PolarHBondContact O-N 3.12Å; F59-R88 WeakPolarHBondContact CD2-O 3.21Å; F59-A90 HydrophobicContact CD1-CB 3.98Å; F59-A90 HydrophobicContact CD2-CB 4.44Å; F59-A90 HydrophobicContact CE1-CB 3.67Å; F59-A90 HydrophobicContact CE2-CB 4.14Å; F59-A90 HydrophobicContact CG-CB 4.37Å; F59-A90 HydrophobicContact CZ-CB 3.75Å; F59-A90 WeakPolarHBondContact O-CB 3.43Å; F59-A90 PolarHBondContact O-N 3.03Å; F59-V93 HydrophobicContact CE2-CG2 4.49Å |
| 60 | Y | 87.6 | Confident | 87.6 | Confident | 112 Ų | 112 | 62.9 Ų | 62.9 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -96.4 | -28.5 | -173.4 | -69.3 | -65.4 | 0 | 0 | 0 | 114.9 | N56 A90 | N56-Y60 WeakPolarHBondContact O-CD2 3.47Å; N56-Y60 PolarHBondContact O-N 3.49Å; N56-Y60 VanDerWaalsContact O-N 3.11Å; N56-Y60 WeakPolarHBondContact OD1-CE2 3.44Å; Y60-A90 HydrophobicContact CD1-CB 4.04Å; Y60-A90 HydrophobicContact CE1-CB 4.39Å |
| 61 | K | 85.6 | Confident | 87.3 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -91.7 | -30.2 | -172.5 | -160.6 | 174.1 | -177.2 | 176.6 | 0 | 113 | V12 Q57 | V12-K61 PolarHBondContact O-NZ 3.06Å; Q57-K61 HydrophobicContact CG-CB 4.23Å; Q57-K61 HydrophobicContact CG-CD 3.99Å; Q57-K61 WeakPolarHBondContact O-CA 3.06Å; Q57-K61 WeakPolarHBondContact O-CB 3.39Å; Q57-K61 PolarHBondContact O-N 3.3Å |
| 62 | L | 85.6 | Confident | 86.9 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | trans | -90.1 | 149.9 | -176.2 | -60 | 175.8 | 0 | 0 | 0 | 111.6 | A58 V68 V89 | A58-L62 HydrophobicContact CB-CD1 4.23Å; A58-L62 WeakPolarHBondContact O-CB 3.38Å; L62-V68 HydrophobicContact CD1-CB 4.08Å; L62-V68 HydrophobicContact CD1-CG2 3.44Å; L62-V68 VanDerWaalsContact CD1-CG2 3.44Å; L62-V89 HydrophobicContact CB-CG1 4.4Å | ||
| 63 | E | 85.1 | Confident | 86.1 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -86.5 | -33.2 | 180 | -53.8 | -159.7 | 133.7 | 0 | 0 | 112.8 | V89 K91 | E63-V89 WeakPolarHBondContact O-CG2 3.22Å; E63-K91 HydrophobicContact CB-CD 4.17Å; E63-K91 HydrophobicContact CG-CD 4.11Å; E63-K91 IonicContact OE1-NZ 3.89Å; E63-K91 PolarHBondContact OE1-NZ 3.35Å |
| 64 | K | 84.9 | Confident | 85.1 | Confident | 116 Ų | 116 | 64.1 Ų | 64.1 | 50% | 0.504 | 32% | 0.318 | S | S | . | . | trans | -133.5 | 143.1 | -179.6 | -62 | -177.3 | -178.6 | -179.9 | 0 | 110.4 | S66 Q67 E92 | K64-S66 PolarHBondContact O-N 3.26Å; K64-Q67 HydrophobicContact CB-CG 4.3Å; K64-Q67 PolarHBondContact O-N 3.32Å; K64-Q67 VanDerWaalsContact O-N 3.14Å; K64-E92 WeakPolarHBondContact CA-OE1 3.27Å | ||
| 65 | S | 85.4 | Confident | 83.6 | Confident | 47 Ų | 47 | 70 Ų | 70 | 33% | 0.329 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -59.9 | -28 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | Q67 V68 G87 E92 | S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.49Å; S65-V68 VanDerWaalsContact O-CB 3.28Å; S65-V68 WeakPolarHBondContact O-CB 3.35Å; S65-V68 WeakPolarHBondContact O-CG2 3.29Å; S65-V68 PolarHBondContact O-N 3.29Å; S65-G87 VanDerWaalsContact CB-O 3.24Å; S65-G87 WeakPolarHBondContact CB-O 3.39Å; S65-E92 WeakPolarHBondContact CB-OE1 3.14Å; S65-E92 WeakPolarHBondContact CB-OE2 3.26Å; S65-E92 PolarHBondContact N-OE1 3.32Å; S65-E92 PolarHBondContact OG-OE1 2.94Å; S65-E92 PolarHBondContact OG-OE2 3.37Å |
| 66 | S | 82 | Confident | 81.7 | Confident | 98 Ų | 98 | 72.8 Ų | 72.8 | 69% | 0.685 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -68.6 | -23.5 | 176.5 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | K64 V68 | K64-S66 PolarHBondContact O-N 3.26Å; S66-V68 PolarHBondContact O-N 2.81Å |
| 67 | Q | 82.3 | Confident | 79.9 | Confident | 102 Ų | 102 | 79.1 Ų | 79.1 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -81.2 | -6.8 | 178.6 | -65.6 | 172.6 | -9 | 0 | 0 | 112.6 | K64 S65 R69 | K64-Q67 HydrophobicContact CB-CG 4.3Å; K64-Q67 PolarHBondContact O-N 3.32Å; K64-Q67 VanDerWaalsContact O-N 3.14Å; S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.49Å; Q67-R69 PolarHBondContact O-N 3.14Å |
| 68 | V | 84.3 | Confident | 78.2 | Confident | 12 Ų | 12 | 87 Ų | 87 | 7% | 0.073 | 43% | 0.426 | C | S | . | . | trans | -69 | 103.9 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | A58 L62 S65 S66 Y85 | A58-V68 HydrophobicContact CB-CG1 4.4Å; A58-V68 HydrophobicContact CB-CG2 4.31Å; L62-V68 HydrophobicContact CD1-CB 4.08Å; L62-V68 HydrophobicContact CD1-CG2 3.44Å; L62-V68 VanDerWaalsContact CD1-CG2 3.44Å; S65-V68 VanDerWaalsContact O-CB 3.28Å; S65-V68 WeakPolarHBondContact O-CB 3.35Å; S65-V68 WeakPolarHBondContact O-CG2 3.29Å; S65-V68 PolarHBondContact O-N 3.29Å; S66-V68 PolarHBondContact O-N 2.81Å; V68-Y85 HydrophobicContact CG1-CD1 4.21Å; V68-Y85 HydrophobicContact CG1-CG 4.45Å; V68-Y85 HydrophobicContact CG2-CD1 3.91Å | ||
| 69 | R | 84.1 | Confident | 76.9 | Confident | 208 Ų | 208 | 96 Ų | 96 | 79% | 0.785 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 149.4 | 170 | 63.2 | -177 | -69.6 | 155.9 | -1.3 | 111.3 | Q67 V71 | Q67-R69 PolarHBondContact O-N 3.14Å; R69-V71 PolarHBondContact O-N 3.07Å |
| 70 | T | 85.2 | Confident | 75.8 | Confident | 33 Ų | 33 | 95 Ų | 95 | 20% | 0.202 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -68 | 132.5 | 169.4 | -51.6 | 0 | 0 | 0 | 0 | 109.7 | R82 F83 R84 | T70-R82 VanDerWaalsContact CB-NH2 3.26Å; T70-R82 HydrophobicContact CG2-CB 4.02Å; T70-R82 HydrophobicContact CG2-CG 3.93Å; T70-R82 VanDerWaalsContact CG2-CZ 3.46Å; T70-R82 PolarHBondContact OG1-NH2 2.87Å; T70-F83 WeakPolarHBondContact CG2-O 3.37Å; T70-R84 HydrophobicContact CG2-CB 4.08Å |
| 71 | V | 86.1 | Confident | 75.3 | Confident | 37 Ų | 37 | 90.5 Ų | 90.5 | 22% | 0.224 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.5 | 179.4 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | W50 I54 R69 R82 F83 | W50-V71 WeakPolarHBondContact CH2-O 3.46Å; W50-V71 HydrophobicContact CZ2-CB 4.23Å; W50-V71 HydrophobicContact CZ2-CG1 4.03Å; I54-V71 HydrophobicContact CD1-CB 3.96Å; I54-V71 HydrophobicContact CD1-CG1 3.72Å; I54-V71 HydrophobicContact CD1-CG2 3.99Å; I54-V71 HydrophobicContact CG1-CB 4.45Å; I54-V71 HydrophobicContact CG2-CB 4.38Å; I54-V71 HydrophobicContact CG2-CG2 4Å; R69-V71 PolarHBondContact O-N 3.07Å; V71-R82 WeakPolarHBondContact O-CA 3.44Å; V71-F83 PolarHBondContact N-O 3.45Å; V71-F83 PolarHBondContact O-N 3.17Å |
| 72 | S | 84.3 | Confident | 75.3 | Confident | 49 Ų | 49 | 94.1 Ų | 94.1 | 34% | 0.343 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.9 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | S74 | S72-S74 PolarHBondContact O-N 3.18Å; S72-S74 PolarHBondContact OG-N 2.89Å; S72-S74 PolarHBondContact OG-O 3.31Å |
| 73 | S | 75.9 | Confident | 75.5 | Confident | 5 Ų | 5 | 93.4 Ų | 93.4 | 4% | 0.035 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -67.6 | -23.7 | 173.4 | 68.4 | 0 | 0 | 0 | 0 | 113 | K16 F17 S81 | K16-S73 VanDerWaalsContact CG-O 3.22Å; K16-S73 WeakPolarHBondContact CG-O 3.42Å; F17-S73 VanDerWaalsContact CD1-CB 3.46Å; S73-S81 PolarHBondContact N-O 3.47Å; S73-S81 PolarHBondContact OG-N 3.14Å; S73-S81 PolarHBondContact OG-O 3.1Å |
| 74 | S | 68.4 | Low | 75.7 | Confident | 38 Ų | 38 | 96 Ų | 96 | 27% | 0.266 | 47% | 0.465 | S | S | . | . | trans | -132.2 | 147.9 | -170.8 | -51.2 | 0 | 0 | 0 | 0 | 111.2 | S72 | S72-S74 PolarHBondContact O-N 3.18Å; S72-S74 PolarHBondContact OG-N 2.89Å; S72-S74 PolarHBondContact OG-O 3.31Å | ||
| 75 | N | 59.7 | Low | 75.9 | Confident | 129 Ų | 129 | 92.1 Ų | 92.1 | 69% | 0.69 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -84.9 | -9.2 | 175.8 | -65.7 | -27.6 | 0 | 0 | 0 | 113 | ||
| 76 | L | 51.6 | Low | 76.1 | Confident | 139 Ų | 139 | 95 Ų | 95 | 73% | 0.728 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -90.8 | 120.8 | 177.6 | -127 | 79.7 | 0 | 0 | 0 | 109.8 | F78 | L76-F78 PolarHBondContact O-N 2.82Š|
| 77 | F | 52.3 | Low | 76.4 | Confident | 179 Ų | 179 | 92.4 Ų | 92.4 | 79% | 0.785 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 128.7 | 174.6 | -54.4 | -90.5 | 0 | 0 | 0 | 109.3 | ||
| 78 | F | 52.1 | Low | 76.7 | Confident | 211 Ų | 211 | 95.5 Ų | 95.5 | 93% | 0.925 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -19 | 171.2 | -47.4 | -73.8 | 0 | 0 | 0 | 120.8 | L76 | L76-F78 PolarHBondContact O-N 2.82Š|
| 79 | K | 62 | Low | 77.1 | Confident | 197 Ų | 197 | 95 Ų | 95 | 86% | 0.857 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -116.3 | 38.8 | 179.8 | -146.3 | 173.9 | -177.6 | 177.8 | 0 | 113.9 | ||
| 80 | G | 67.4 | Low | 77.4 | Confident | 33 Ų | 33 | 85.8 Ų | 85.8 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -129.4 | 154.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R82 | G80-R82 PolarHBondContact O-N 3.13Š|
| 81 | S | 77.4 | Confident | 77.5 | Confident | 19 Ų | 19 | 89 Ų | 89 | 13% | 0.133 | 44% | 0.441 | C | S | . | . | trans | -78.1 | 115.9 | 169.4 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | K47 W50 S73 | K47-S81 VanDerWaalsContact CE-OG 3.3Å; K47-S81 WeakPolarHBondContact CE-OG 3.4Å; W50-S81 WeakPolarHBondContact CH2-O 3.49Å; W50-S81 WeakPolarHBondContact CZ3-OG 3.3Å; S73-S81 PolarHBondContact N-O 3.47Å; S73-S81 PolarHBondContact OG-N 3.14Å; S73-S81 PolarHBondContact OG-O 3.1Å | ||
| 82 | R | 85.1 | Confident | 77.7 | Confident | 173 Ų | 173 | 89.2 Ų | 89.2 | 65% | 0.653 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 140.5 | 168 | -97.2 | 175.4 | 75 | 120.5 | -4.8 | 110.2 | T70 V71 G80 | T70-R82 VanDerWaalsContact CB-NH2 3.26Å; T70-R82 HydrophobicContact CG2-CB 4.02Å; T70-R82 HydrophobicContact CG2-CG 3.93Å; T70-R82 VanDerWaalsContact CG2-CZ 3.46Å; T70-R82 PolarHBondContact OG1-NH2 2.87Å; V71-R82 WeakPolarHBondContact O-CA 3.44Å; G80-R82 PolarHBondContact O-N 3.13Å |
| 83 | F | 88.8 | Confident | 78 | Confident | 33 Ų | 33 | 89.2 Ų | 89.2 | 15% | 0.145 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 131.1 | 174.9 | -179 | -102.6 | 0 | 0 | 0 | 110 | W50 K51 I54 E55 T70 V71 | W50-F83 HydrophobicContact CE3-CB 4.48Å; W50-F83 HydrophobicContact CH2-CB 3.55Å; W50-F83 HydrophobicContact CZ3-CB 3.48Å; W50-F83 VanDerWaalsContact CZ3-CB 3.48Å; W50-F83 HydrophobicContact CZ3-CG 4.49Å; K51-F83 HydrophobicContact CB-CD2 4.47Å; K51-F83 HydrophobicContact CB-CE2 4.49Å; K51-F83 HydrophobicContact CD-CD2 4.02Å; K51-F83 HydrophobicContact CD-CE2 4.26Å; K51-F83 HydrophobicContact CG-CB 4.42Å; K51-F83 HydrophobicContact CG-CD2 3.85Å; K51-F83 HydrophobicContact CG-CE2 4.27Å; K51-F83 HydrophobicContact CG-CG 4.01Å; I54-F83 HydrophobicContact CB-CD1 3.93Å; I54-F83 HydrophobicContact CB-CE1 4.26Å; I54-F83 HydrophobicContact CG2-CD1 3.65Å; I54-F83 HydrophobicContact CG2-CE1 4.01Å; E55-F83 HydrophobicContact CG-CE1 3.5Å; E55-F83 VanDerWaalsContact CG-CE1 3.5Å; E55-F83 HydrophobicContact CG-CZ 3.47Å; E55-F83 VanDerWaalsContact CG-CZ 3.47Å; E55-F83 WeakPolarHBondContact OE1-CZ 3.46Å; T70-F83 WeakPolarHBondContact CG2-O 3.37Å; V71-F83 PolarHBondContact N-O 3.45Å; V71-F83 PolarHBondContact O-N 3.17Å |
| 84 | R | 89.6 | Confident | 78.6 | Confident | 158 Ų | 158 | 95.6 Ų | 95.6 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | trans | -119.4 | 124.2 | 174.8 | -174.7 | 180 | -176.8 | -175.1 | -0.9 | 107.1 | T70 | T70-R84 HydrophobicContact CG2-CB 4.08Š| ||
| 85 | Y | 90.4 | Very high | 79.6 | Confident | 34 Ų | 34 | 99 Ų | 99 | 13% | 0.133 | 48% | 0.48 | C | S | . | . | trans | -68.4 | 134.8 | 171.7 | 169.4 | -94.2 | 0 | 0 | 0 | 109.7 | E55 A58 V68 G87 R88 V89 | E55-Y85 HydrophobicContact CB-CD2 4.07Å; E55-Y85 HydrophobicContact CB-CE2 4.46Å; E55-Y85 HydrophobicContact CG-CD2 4.06Å; A58-Y85 HydrophobicContact CB-CD1 3.66Å; A58-Y85 HydrophobicContact CB-CD2 4.09Å; A58-Y85 HydrophobicContact CB-CE1 4.31Å; A58-Y85 HydrophobicContact CB-CG 3.52Å; V68-Y85 HydrophobicContact CG1-CD1 4.21Å; V68-Y85 HydrophobicContact CG1-CG 4.45Å; V68-Y85 HydrophobicContact CG2-CD1 3.91Å; Y85-G87 WeakPolarHBondContact CE1-O 3.34Å; Y85-R88 PolarHBondContact OH-O 3.21Å; Y85-V89 HydrophobicContact CE1-CG1 4.18Å | ||
| 86 | S | 88.2 | Confident | 80.9 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 76% | 0.755 | 46% | 0.463 | S | S | * | . | trans | -126.2 | 117.2 | 177.1 | -72.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 87 | G | 89.7 | Confident | 82.6 | Confident | 43 Ų | 43 | 91.5 Ų | 91.5 | 44% | 0.443 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 152.4 | 174.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S65 Y85 | S65-G87 VanDerWaalsContact CB-O 3.24Å; S65-G87 WeakPolarHBondContact CB-O 3.39Å; Y85-G87 WeakPolarHBondContact CE1-O 3.34Å |
| 88 | R | 88.9 | Confident | 84.2 | Confident | 168 Ų | 168 | 87 Ų | 87 | 63% | 0.634 | 44% | 0.444 | S | S | * | . | trans | -75.6 | 144.1 | 172.5 | -66.7 | -173.3 | -67.1 | -141.3 | -0.3 | 110.2 | F59 Y85 E92 V93 | F59-R88 WeakPolarHBondContact CD2-O 3.21Å; Y85-R88 PolarHBondContact OH-O 3.21Å; R88-E92 VanDerWaalsContact CA-OE2 3.31Å; R88-E92 WeakPolarHBondContact CA-OE2 3.25Å; R88-E92 HydrophobicContact CB-CB 4.49Å; R88-V93 HydrophobicContact CB-CG2 3.87Å | ||
| 89 | V | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 43% | 0.43 | C | S | . | . | trans | -87.6 | 162.2 | 173.8 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | A58 L62 E63 Y85 K91 E92 V93 | A58-V89 WeakPolarHBondContact O-CG1 3.49Å; L62-V89 HydrophobicContact CB-CG1 4.4Å; E63-V89 WeakPolarHBondContact O-CG2 3.22Å; Y85-V89 HydrophobicContact CE1-CG1 4.18Å; V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.47Å; V89-E92 HydrophobicContact CG2-CB 4.17Å; V89-E92 HydrophobicContact CG2-CG 3.65Å; V89-E92 PolarHBondContact N-OE2 2.9Å; V89-E92 VanDerWaalsContact N-OE2 3.09Å; V89-E92 PolarHBondContact O-N 3.25Å; V89-E92 VanDerWaalsContact O-N 3.09Å; V89-V93 WeakPolarHBondContact O-CG2 3.41Å; V89-V93 PolarHBondContact O-N 3.46Å | ||
| 90 | A | 89.6 | Confident | 86.8 | Confident | 16 Ų | 16 | 78 Ų | 78 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55 | -41 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F59 Y60 E92 V93 M94 | F59-A90 HydrophobicContact CD1-CB 3.98Å; F59-A90 HydrophobicContact CD2-CB 4.44Å; F59-A90 HydrophobicContact CE1-CB 3.67Å; F59-A90 HydrophobicContact CE2-CB 4.14Å; F59-A90 HydrophobicContact CG-CB 4.37Å; F59-A90 HydrophobicContact CZ-CB 3.75Å; F59-A90 WeakPolarHBondContact O-CB 3.43Å; F59-A90 PolarHBondContact O-N 3.03Å; Y60-A90 HydrophobicContact CD1-CB 4.04Å; Y60-A90 HydrophobicContact CE1-CB 4.39Å; A90-E92 PolarHBondContact O-N 3.16Å; A90-V93 PolarHBondContact O-N 3.28Å; A90-M94 VanDerWaalsContact O-CG 3.31Å; A90-M94 WeakPolarHBondContact O-CG 3.19Å; A90-M94 PolarHBondContact O-N 3.49Å |
| 91 | K | 88.3 | Confident | 87.5 | Confident | 101 Ų | 101 | 86.3 Ų | 86.3 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 178 | -67.2 | -154.2 | -171.2 | -176.1 | 0 | 112.4 | E63 V89 V93 M94 E95 | E63-K91 HydrophobicContact CB-CD 4.17Å; E63-K91 HydrophobicContact CG-CD 4.11Å; E63-K91 IonicContact OE1-NZ 3.89Å; E63-K91 PolarHBondContact OE1-NZ 3.35Å; V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.47Å; K91-V93 VanDerWaalsContact C-N 3.33Å; K91-V93 PolarHBondContact O-N 3.24Å; K91-M94 PolarHBondContact O-N 2.88Å; K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 PolarHBondContact O-N 2.98Å |
| 92 | E | 90 | Very high | 87.6 | Confident | 40 Ų | 40 | 94.2 Ų | 94.2 | 19% | 0.187 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 176.2 | -67.6 | 171.7 | 168.5 | 0 | 0 | 111.6 | K64 S65 R88 V89 A90 E95 S96 | K64-E92 WeakPolarHBondContact CA-OE1 3.27Å; S65-E92 WeakPolarHBondContact CB-OE1 3.14Å; S65-E92 WeakPolarHBondContact CB-OE2 3.26Å; S65-E92 PolarHBondContact N-OE1 3.32Å; S65-E92 PolarHBondContact OG-OE1 2.94Å; S65-E92 PolarHBondContact OG-OE2 3.37Å; R88-E92 VanDerWaalsContact CA-OE2 3.31Å; R88-E92 WeakPolarHBondContact CA-OE2 3.25Å; R88-E92 HydrophobicContact CB-CB 4.49Å; V89-E92 HydrophobicContact CG2-CB 4.17Å; V89-E92 HydrophobicContact CG2-CG 3.65Å; V89-E92 PolarHBondContact N-OE2 2.9Å; V89-E92 VanDerWaalsContact N-OE2 3.09Å; V89-E92 PolarHBondContact O-N 3.25Å; V89-E92 VanDerWaalsContact O-N 3.09Å; A90-E92 PolarHBondContact O-N 3.16Å; E92-E95 PolarHBondContact O-N 3.34Å; E92-S96 VanDerWaalsContact O-CB 3.3Å; E92-S96 WeakPolarHBondContact O-CB 3.36Å; E92-S96 PolarHBondContact O-N 2.89Å; E92-S96 PolarHBondContact O-OG 3.09Å |
| 93 | V | 90.4 | Very high | 87.3 | Confident | 49 Ų | 49 | 94.6 Ų | 94.6 | 30% | 0.297 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | F59 R88 V89 A90 K91 S96 S97 | F59-V93 HydrophobicContact CE2-CG2 4.49Å; R88-V93 HydrophobicContact CB-CG2 3.87Å; V89-V93 WeakPolarHBondContact O-CG2 3.41Å; V89-V93 PolarHBondContact O-N 3.46Å; A90-V93 PolarHBondContact O-N 3.28Å; K91-V93 VanDerWaalsContact C-N 3.33Å; K91-V93 PolarHBondContact O-N 3.24Å; V93-S96 WeakPolarHBondContact CA-OG 3.34Å; V93-S96 PolarHBondContact O-OG 3.43Å; V93-S97 VanDerWaalsContact O-CB 3.26Å; V93-S97 WeakPolarHBondContact O-CB 3.38Å; V93-S97 PolarHBondContact O-N 2.96Å; V93-S97 PolarHBondContact O-OG 3.34Å |
| 94 | M | 88.1 | Confident | 86.8 | Confident | 140 Ų | 140 | 98.6 Ų | 98.6 | 69% | 0.69 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 176.2 | -71.7 | 179.7 | 68.2 | 0 | 0 | 111.9 | A90 K91 S97 A98 | A90-M94 VanDerWaalsContact O-CG 3.31Å; A90-M94 WeakPolarHBondContact O-CG 3.19Å; A90-M94 PolarHBondContact O-N 3.49Å; K91-M94 PolarHBondContact O-N 2.88Å; M94-S97 PolarHBondContact O-N 3.28Å; M94-A98 WeakPolarHBondContact O-CB 3.2Å; M94-A98 PolarHBondContact O-N 3.02Å |
| 95 | E | 89.5 | Confident | 86.5 | Confident | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 179.6 | -166.2 | -165.4 | 149.5 | 0 | 0 | 111.8 | K91 E92 S97 A98 K99 | K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 PolarHBondContact O-N 2.98Å; E92-E95 PolarHBondContact O-N 3.34Å; E95-S97 VanDerWaalsContact C-N 3.33Å; E95-S97 PolarHBondContact O-N 3.35Å; E95-A98 PolarHBondContact O-N 2.86Å; E95-K99 WeakPolarHBondContact O-CG 3.44Å; E95-K99 PolarHBondContact O-N 3.1Å; E95-K99 WeakPolarHBondContact OE1-CE 3.02Å; E95-K99 IonicContact OE1-NZ 2.72Å; E95-K99 PolarHBondContact OE1-NZ 2.89Å |
| 96 | S | 86.8 | Confident | 85.8 | Confident | 47 Ų | 47 | 102.1 Ų | 102.1 | 33% | 0.329 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 174.8 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | E92 V93 K99 I100 | E92-S96 VanDerWaalsContact O-CB 3.3Å; E92-S96 WeakPolarHBondContact O-CB 3.36Å; E92-S96 PolarHBondContact O-N 2.89Å; E92-S96 PolarHBondContact O-OG 3.09Å; V93-S96 WeakPolarHBondContact CA-OG 3.34Å; V93-S96 PolarHBondContact O-OG 3.43Å; S96-K99 PolarHBondContact O-N 3.37Å; S96-I100 VanDerWaalsContact O-CG1 3.31Å; S96-I100 WeakPolarHBondContact O-CG1 3.41Å |
| 97 | S | 86.9 | Confident | 85.3 | Confident | 62 Ų | 62 | 102.5 Ų | 102.5 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 176.1 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | V93 M94 E95 K99 I100 | V93-S97 VanDerWaalsContact O-CB 3.26Å; V93-S97 WeakPolarHBondContact O-CB 3.38Å; V93-S97 PolarHBondContact O-N 2.96Å; V93-S97 PolarHBondContact O-OG 3.34Å; M94-S97 PolarHBondContact O-N 3.28Å; E95-S97 VanDerWaalsContact C-N 3.33Å; E95-S97 PolarHBondContact O-N 3.35Å; S97-K99 PolarHBondContact O-N 3.42Å; S97-I100 WeakPolarHBondContact O-CB 3.33Å; S97-I100 WeakPolarHBondContact O-CG1 3.22Å; S97-I100 PolarHBondContact O-N 2.98Å; S97-I100 VanDerWaalsContact O-N 3.12Å |
| 98 | A | 86.3 | Confident | 84.7 | Confident | 84 Ų | 84 | 107.4 Ų | 107.4 | 69% | 0.694 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -25.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | M94 E95 I100 | M94-A98 WeakPolarHBondContact O-CB 3.2Å; M94-A98 PolarHBondContact O-N 3.02Å; E95-A98 PolarHBondContact O-N 2.86Å; A98-I100 VanDerWaalsContact C-N 3.26Å; A98-I100 PolarHBondContact O-N 2.93Å |
| 99 | K | 84.8 | Confident | 84.1 | Confident | 144 Ų | 144 | 109.3 Ų | 109.3 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12.2 | 175.3 | -68.5 | 169.9 | -171.8 | 174 | 0 | 112.9 | E95 S96 S97 K101 | E95-K99 WeakPolarHBondContact O-CG 3.44Å; E95-K99 PolarHBondContact O-N 3.1Å; E95-K99 WeakPolarHBondContact OE1-CE 3.02Å; E95-K99 IonicContact OE1-NZ 2.72Å; E95-K99 PolarHBondContact OE1-NZ 2.89Å; S96-K99 PolarHBondContact O-N 3.37Å; S97-K99 PolarHBondContact O-N 3.42Å; K99-K101 PolarHBondContact O-N 3.46Å |
| 100 | I | 84.3 | Confident | 82.9 | Confident | 76 Ų | 76 | 113.7 Ų | 113.7 | 39% | 0.39 | 58% | 0.581 | S | S | . | * | trans | -82 | 101 | -179.3 | -43.5 | 178.5 | 0 | 0 | 0 | 109.1 | S96 S97 A98 R102 | S96-I100 VanDerWaalsContact O-CG1 3.31Å; S96-I100 WeakPolarHBondContact O-CG1 3.41Å; S97-I100 WeakPolarHBondContact O-CB 3.33Å; S97-I100 WeakPolarHBondContact O-CG1 3.22Å; S97-I100 PolarHBondContact O-N 2.98Å; S97-I100 VanDerWaalsContact O-N 3.12Å; A98-I100 VanDerWaalsContact C-N 3.26Å; A98-I100 PolarHBondContact O-N 2.93Å; I100-R102 VanDerWaalsContact CD1-NH2 3.27Å; I100-R102 HydrophobicContact CG2-CG 3.62Å; I100-R102 PolarHBondContact O-N 3.02Å | ||
| 101 | K | 81.1 | Confident | 81.6 | Confident | 208 Ų | 208 | 116.4 Ų | 116.4 | 90% | 0.904 | 61% | 0.61 | S | S | * | * | trans | -80.1 | 100.5 | 169.2 | -64.8 | -175.9 | 179.9 | -177.1 | 0 | 108.4 | K99 | K99-K101 PolarHBondContact O-N 3.46Š| ||
| 102 | R | 79.4 | Confident | 80.2 | Confident | 184 Ų | 184 | 119.9 Ų | 119.9 | 69% | 0.694 | 63% | 0.63 | S | S | * | * | trans | -107.8 | 133.1 | 168.5 | -50.7 | -167.8 | -179.8 | 99.2 | -5.9 | 107.7 | I100 | I100-R102 VanDerWaalsContact CD1-NH2 3.27Å; I100-R102 HydrophobicContact CG2-CG 3.62Å; I100-R102 PolarHBondContact O-N 3.02Å | ||
| 103 | E | 79.1 | Confident | 78.8 | Confident | 182 Ų | 182 | 123.7 Ų | 123.7 | 85% | 0.85 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.2 | 167.8 | -70.8 | -170.7 | 170.9 | 0 | 0 | 108.8 | ||
| 104 | P | 79.8 | Confident | 77 | Confident | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 131.6 | 175.2 | -24.6 | 33.4 | 0 | 0 | 0 | 109.5 | E106 | P104-E106 PolarHBondContact O-N 2.79Š|
| 105 | P | 81.3 | Confident | 75.3 | Confident | 106 Ų | 106 | 124.5 Ų | 124.5 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.6 | 177.4 | 24.2 | -32.1 | 0 | 0 | 0 | 108.8 | I107 | P105-I107 VanDerWaalsContact C-N 3.32Å; P105-I107 WeakPolarHBondContact O-CG1 3.45Å; P105-I107 PolarHBondContact O-N 3.2Å |
| 106 | E | 77 | Confident | 73.8 | Confident | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -72.5 | 91.8 | 176.6 | -161.5 | 173.1 | -163.8 | 0 | 0 | 108.7 | P104 H108 | P104-E106 PolarHBondContact O-N 2.79Å; E106-H108 VanDerWaalsContact C-N 3.32Å; E106-H108 VanDerWaalsContact CG-CE1 3.47Å; E106-H108 WeakPolarHBondContact CG-CE1 3.38Å; E106-H108 PolarHBondContact O-N 3.44Å; E106-H108 PolarHBondContact O-ND1 3.29Å; E106-H108 IonicContact OE1-CE1 3.85Å; E106-H108 IonicContact OE1-NE2 2.69Å; E106-H108 IonicContact OE2-CE1 3.7Å; E106-H108 PolarHBondContact OE2-CE1 2.84Å | ||
| 107 | I | 78.1 | Confident | 72.1 | Confident | 116 Ų | 116 | 133.8 Ų | 133.8 | 60% | 0.595 | 71% | 0.712 | S | S | * | * | trans | -76.2 | 91 | 178.2 | -49.1 | 179.4 | 0 | 0 | 0 | 107.7 | P105 R109 | P105-I107 VanDerWaalsContact C-N 3.32Å; P105-I107 WeakPolarHBondContact O-CG1 3.45Å; P105-I107 PolarHBondContact O-N 3.2Å; I107-R109 HydrophobicContact CG2-CG 3.56Å; I107-R109 PolarHBondContact O-N 2.83Å | ||
| 108 | H | 76.1 | Confident | 70 | Confident | 146 Ų | 146 | 135.9 Ų | 135.9 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | trans | -69.7 | 82.5 | 163.1 | -69 | 91.9 | 0 | 0 | 0 | 108.6 | E106 A110 | E106-H108 VanDerWaalsContact C-N 3.32Å; E106-H108 VanDerWaalsContact CG-CE1 3.47Å; E106-H108 WeakPolarHBondContact CG-CE1 3.38Å; E106-H108 PolarHBondContact O-N 3.44Å; E106-H108 PolarHBondContact O-ND1 3.29Å; E106-H108 IonicContact OE1-CE1 3.85Å; E106-H108 IonicContact OE1-NE2 2.69Å; E106-H108 IonicContact OE2-CE1 3.7Å; E106-H108 PolarHBondContact OE2-CE1 2.84Å; H108-A110 VanDerWaalsContact C-N 3.3Å; H108-A110 PolarHBondContact O-N 3.39Å | ||
| 109 | R | 76.6 | Confident | 68.2 | Low | 209 Ų | 209 | 138.2 Ų | 138.2 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 97.9 | 163.8 | -61.1 | -171.6 | -178.5 | 169 | 1.2 | 105.7 | I107 G111 | I107-R109 HydrophobicContact CG2-CG 3.56Å; I107-R109 PolarHBondContact O-N 2.83Å; R109-G111 PolarHBondContact O-N 3.4Å | ||
| 110 | A | 68.4 | Low | 66.3 | Low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -47.8 | 120.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | H108 M112 | H108-A110 VanDerWaalsContact C-N 3.3Å; H108-A110 PolarHBondContact O-N 3.39Å; A110-M112 PolarHBondContact O-N 2.95Å | ||
| 111 | G | 61.3 | Low | 65 | Low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -51.8 | 104.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R109 V113 | R109-G111 PolarHBondContact O-N 3.4Å; G111-V113 VanDerWaalsContact C-N 3.34Å; G111-V113 PolarHBondContact O-N 2.95Å | ||
| 112 | M | 59.5 | Low | 63.3 | Low | 173 Ų | 173 | 135.4 Ų | 135.4 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | trans | -58.6 | 111.6 | 161.6 | -94 | 169.1 | 60.3 | 0 | 0 | 104.4 | A110 | A110-M112 PolarHBondContact O-N 2.95Š| ||
| 113 | V | 59 | Low | 61.5 | Low | 121 Ų | 121 | 135.4 Ų | 135.4 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | -38.6 | 127 | 167.7 | 177.1 | 0 | 0 | 0 | 0 | 106.8 | G111 S115 | G111-V113 VanDerWaalsContact C-N 3.34Å; G111-V113 PolarHBondContact O-N 2.95Å; V113-S115 PolarHBondContact O-N 3Å | ||
| 114 | P | 54.1 | Low | 60.1 | Low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -51.8 | 109 | 177.3 | -25.9 | 33.3 | 0 | 0 | 0 | 108.4 | R116 | P114-R116 PolarHBondContact O-N 3Å; P114-R116 VanDerWaalsContact O-N 3.1Å | ||
| 115 | S | 52.5 | Low | 58.6 | Low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -59.2 | 120.4 | 173.5 | -88.1 | 0 | 0 | 0 | 0 | 107 | V113 S117 | V113-S115 PolarHBondContact O-N 3Å; S115-S117 PolarHBondContact O-N 3.34Å | ||
| 116 | R | 56.8 | Low | 56.6 | Low | 259 Ų | 259 | 136.6 Ų | 136.6 | 98% | 0.977 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 30.6 | 179.8 | -70.9 | -178.7 | 169.1 | -118.3 | 2.1 | 113.1 | P114 | P114-R116 PolarHBondContact O-N 3Å; P114-R116 VanDerWaalsContact O-N 3.1Å |
| 117 | S | 52.4 | Low | 55 | Low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 9.8 | -172.6 | 56.1 | 0 | 0 | 0 | 0 | 115.3 | S115 | S115-S117 PolarHBondContact O-N 3.34Š|
| 118 | C | 42.9 | Very low | 53.5 | Low | 105 Ų | 105 | 136.4 Ų | 136.4 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -134.6 | 112.2 | 173.5 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | S120 | C118-S120 PolarHBondContact O-N 2.83Š|
| 119 | P | 47.2 | Very low | 51.9 | Low | 134 Ų | 134 | 135 Ų | 135 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 106.9 | 168 | 25.8 | -28.4 | 0 | 0 | 0 | 107.9 | I121 | P119-I121 PolarHBondContact O-N 2.88Š| ||
| 120 | S | 45.6 | Very low | 50.5 | Low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -42.5 | 124.1 | 166.4 | 163.8 | 0 | 0 | 0 | 0 | 110.2 | C118 T122 | C118-S120 PolarHBondContact O-N 2.83Å; S120-T122 VanDerWaalsContact C-N 3.27Å; S120-T122 PolarHBondContact O-N 2.83Å | ||
| 121 | I | 55.7 | Low | 49.3 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 94.6 | 161.9 | -131.6 | 172.6 | 0 | 0 | 0 | 105.2 | P119 H123 | P119-I121 PolarHBondContact O-N 2.88Å; I121-H123 PolarHBondContact O-N 3.13Å; I121-H123 VanDerWaalsContact O-N 3.13Å | ||
| 122 | T | 46.7 | Very low | 49 | Very low | 124 Ų | 124 | 140 Ų | 140 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -63.4 | 114.2 | 171.5 | 17.2 | 0 | 0 | 0 | 0 | 107.5 | S120 G124 | S120-T122 VanDerWaalsContact C-N 3.27Å; S120-T122 PolarHBondContact O-N 2.83Å; T122-G124 PolarHBondContact O-N 2.93Å | ||
| 123 | H | 42.1 | Very low | 48.5 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -63.7 | 87.2 | 165.8 | -95 | -90.3 | 0 | 0 | 0 | 108.7 | I121 | I121-H123 PolarHBondContact O-N 3.13Å; I121-H123 VanDerWaalsContact O-N 3.13Å | ||
| 124 | G | 48 | Very low | 47.9 | Very low | 55 Ų | 55 | 142.9 Ų | 142.9 | 57% | 0.567 | 78% | 0.784 | S | S | * | * | trans | -83.5 | 143.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | T122 R126 | T122-G124 PolarHBondContact O-N 2.93Å; G124-R126 PolarHBondContact O-N 3.33Å; G124-R126 VanDerWaalsContact O-N 3.13Å | ||
| 125 | P | 48.7 | Very low | 47.7 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -82.9 | 95.7 | -178.7 | 32.3 | -28.9 | 0 | 0 | 0 | 108.4 | ||||
| 126 | R | 40.4 | Very low | 47.6 | Very low | 247 Ų | 247 | 156.4 Ų | 156.4 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -142.9 | 128.8 | 162.2 | -75 | -157.8 | 176.6 | -174.5 | 0.4 | 113.7 | G124 | G124-R126 PolarHBondContact O-N 3.33Å; G124-R126 VanDerWaalsContact O-N 3.13Å | ||
| 127 | L | 42.6 | Very low | 47.3 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -41.4 | 142.9 | 170 | -59.9 | 158.3 | 0 | 0 | 0 | 113.6 | ||||
| 128 | S | 47 | Very low | 47.2 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 28.7 | 114 | 150.5 | 64.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 129 | S | 42.1 | Very low | 47.3 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 165.9 | 131.5 | 119.3 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 130 | V | 46.7 | Very low | 47.5 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -71.8 | 146.1 | 171.3 | 175.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 131 | P | 44.5 | Very low | 47.9 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | -133.6 | 142.1 | 124.7 | 14.4 | 6.8 | 0 | 0 | 0 | 114.5 | T133 | P131-T133 PolarHBondContact O-N 2.96Š| |||
| 132 | R | 53.6 | Low | 47.9 | Very low | 229 Ų | 229 | 145.7 Ų | 145.7 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -53.7 | 122 | 164.5 | -79.5 | 164.4 | 143.5 | 78.9 | -4.1 | 110.2 | ||||
| 133 | T | 50.5 | Low | 48.1 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | 171.6 | 87.1 | 143.7 | 43 | 0 | 0 | 0 | 0 | 111.1 | P131 | P131-T133 PolarHBondContact O-N 2.96Š| ||
| 134 | R | 46.5 | Very low | 48.6 | Very low | 219 Ų | 219 | 143.6 Ų | 143.6 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -154.5 | 38.5 | 163.3 | -131.8 | -179.4 | -166.6 | -123.1 | 3.7 | 115.3 | R136 | R134-R136 PolarHBondContact O-N 2.7Š| ||
| 135 | R | 48.2 | Very low | 48.9 | Very low | 256 Ų | 256 | 142.9 Ų | 142.9 | 97% | 0.966 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 23.6 | 173.6 | -79.6 | -164.5 | 178 | -137.3 | 1.8 | 114.8 | ||
| 136 | R | 51.1 | Low | 49.2 | Very low | 233 Ų | 233 | 142.2 Ų | 142.2 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | -0.6 | -176.7 | -128.5 | -179.1 | -159.6 | 169.8 | 5 | 116.7 | R134 | R134-R136 PolarHBondContact O-N 2.7Š|
| 137 | A | 51 | Low | 49.9 | Very low | 50 Ų | 50 | 137.3 Ų | 137.3 | 41% | 0.413 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -96.2 | -8.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 138 | V | 50.1 | Low | 50.3 | Low | 104 Ų | 104 | 133.7 Ų | 133.7 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -20.8 | -173.2 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | I142 | V138-I142 HydrophobicContact CG1-CD1 4.43Š|
| 139 | H | 44.2 | Very low | 50.6 | Low | 144 Ų | 144 | 134.6 Ų | 134.6 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -16 | -173.5 | -159.4 | -84.4 | 0 | 0 | 0 | 114.4 | ||
| 140 | I | 51.7 | Low | 51.3 | Low | 129 Ų | 129 | 139.4 Ų | 139.4 | 66% | 0.662 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -34 | 179.5 | -73.3 | 173.5 | 0 | 0 | 0 | 111.6 | I142 | I140-I142 PolarHBondContact O-N 3.46Š|
| 141 | S | 53.7 | Low | 51.5 | Low | 80 Ų | 80 | 140.1 Ų | 140.1 | 56% | 0.559 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -81.7 | -9.8 | -173.2 | 63.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 142 | I | 56 | Low | 51.8 | Low | 105 Ų | 105 | 139 Ų | 139 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -86.9 | -31 | 178.6 | -60.5 | 175.2 | 0 | 0 | 0 | 110.8 | V138 I140 | V138-I142 HydrophobicContact CG1-CD1 4.43Å; I140-I142 PolarHBondContact O-N 3.46Å |
| 143 | M | 51.4 | Low | 51.7 | Low | 123 Ų | 123 | 132 Ų | 132 | 61% | 0.606 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -77.1 | -39.5 | -176.1 | -56.2 | -168.4 | 70.5 | 0 | 0 | 111.5 | L146 | M143-L146 PolarHBondContact O-N 2.95Å |
| 144 | E | 53.2 | Low | 51.6 | Low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.654 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.4 | -26.8 | 178.7 | -159.6 | 165.1 | -166.2 | 0 | 0 | 112.7 | L146 | E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.19Å |
| 145 | G | 54.4 | Low | 51.1 | Low | 40 Ų | 40 | 129.5 Ų | 129.5 | 41% | 0.412 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -72.5 | -21.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 146 | L | 53.3 | Low | 50.7 | Low | 115 Ų | 115 | 123 Ų | 123 | 60% | 0.602 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -87.8 | -24.4 | 178.5 | -70.2 | 177.5 | 0 | 0 | 0 | 113 | M143 E144 | M143-L146 PolarHBondContact O-N 2.95Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.19Å |
| 147 | E | 56.2 | Low | 50 | Low | 145 Ų | 145 | 118 Ų | 118 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71 | -34.3 | 173.1 | -66.7 | -173.8 | 155.5 | 0 | 0 | 111.2 | L149 R150 | E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 3.39Å; E147-R150 PolarHBondContact O-N 2.77Å |
| 148 | S | 50.5 | Low | 49.3 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 61% | 0.608 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -17.7 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 149 | L | 52.6 | Low | 48.5 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -11.5 | 177.8 | -72.5 | 171.7 | 0 | 0 | 0 | 112.9 | E147 | E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 3.39Å |
| 150 | R | 57.1 | Low | 47.9 | Very low | 218 Ų | 218 | 126.5 Ų | 126.5 | 82% | 0.823 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -23.5 | -178.8 | -156.8 | 175.3 | -162.9 | 179 | 3.6 | 113.3 | E147 | E147-R150 PolarHBondContact O-N 2.77Š|
| 151 | D | 52.2 | Low | 47.1 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -92.1 | 1 | -178.9 | -68.3 | -22.4 | 0 | 0 | 0 | 113.9 | A153 | D151-A153 PolarHBondContact O-N 3.35Š|
| 152 | S | 49.9 | Very low | 46.1 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | trans | -86.9 | 56.6 | 175.6 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | H154 | S152-H154 PolarHBondContact O-N 3.27Å; S152-H154 VanDerWaalsContact O-N 3.09Å | ||
| 153 | A | 51.5 | Low | 45.1 | Very low | 83 Ų | 83 | 132.2 Ų | 132.2 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | trans | -57.1 | 7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | D151 | D151-A153 PolarHBondContact O-N 3.35Š| ||
| 154 | H | 48.5 | Very low | 44.2 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | -134.8 | 92.8 | -162.8 | -60.3 | -4 | 0 | 0 | 0 | 112.9 | S152 | S152-H154 PolarHBondContact O-N 3.27Å; S152-H154 VanDerWaalsContact O-N 3.09Å | ||
| 155 | S | 36.6 | Very low | 43.2 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | 168.9 | 83.9 | 135.8 | -74.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 156 | T | 38.9 | Very low | 42.1 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -86 | 131.8 | 162 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | V158 | T156-V158 PolarHBondContact O-N 3.07Š|
| 157 | P | 37.5 | Very low | 41.1 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 116.6 | 159.4 | 27.8 | -27.7 | 0 | 0 | 0 | 108.7 | ||
| 158 | V | 36.4 | Very low | 40.4 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 130.4 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 109.7 | T156 S160 | T156-V158 PolarHBondContact O-N 3.07Å; V158-S160 PolarHBondContact O-N 2.97Å |
| 159 | R | 33.6 | Very low | 39.8 | Very low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 119.9 | 163.3 | -84.7 | -178.5 | 163.5 | 86.2 | -1.3 | 108.3 | T161 | R159-T161 PolarHBondContact O-N 3.47Š|
| 160 | S | 31.2 | Very low | 38.8 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -74.6 | 106 | 169.8 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | V158 | V158-S160 PolarHBondContact O-N 2.97Š| ||
| 161 | T | 34.4 | Very low | 37.6 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -94.2 | 119.2 | 159.2 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | R159 | R159-T161 PolarHBondContact O-N 3.47Š| ||
| 162 | S | 32.5 | Very low | 36.6 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -123.7 | 115.4 | 155.3 | 61.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 163 | H | 34.4 | Very low | 35.6 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -107.8 | 147.7 | 175.6 | -108.5 | -79.9 | 0 | 0 | 0 | 109.6 | ||||
| 164 | G | 33.1 | Very low | 34.5 | Very low | 62 Ų | 62 | 141.1 Ų | 141.1 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | 126.6 | 125.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 165 | D | 32 | Very low | 33.8 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -174.2 | 151.2 | -0.2 | -113.4 | -22.3 | 0 | 0 | 0 | 108.7 | ||||
| 166 | T | 31.6 | Very low | 33.6 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 62% | 0.62 | 80% | 0.795 | S | S | * | * | trans | 65.1 | 124.4 | 150.5 | -36.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 167 | F | 31.5 | Very low | 33.3 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | -155.1 | 140.7 | 61.8 | -75.6 | -91.5 | 0 | 0 | 0 | 112.1 | |||||
| 168 | L | 41.8 | Very low | 33 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -75.9 | 162.8 | 163.8 | -67.4 | 170.7 | 0 | 0 | 0 | 110.6 | ||||
| 169 | P | 38 | Very low | 33 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | -132.4 | 151.5 | 100.8 | 36.2 | -26.6 | 0 | 0 | 0 | 115 | |||||
| 170 | H | 31.8 | Very low | 33 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 60% | 0.602 | 80% | 0.801 | S | S | * | * | trans | -77 | 135.3 | 176.9 | 173.7 | 88.8 | 0 | 0 | 0 | 112.3 | ||||
| 171 | V | 31.3 | Very low | 33 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -141.7 | 137 | 143.6 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 172 | R | 31.6 | Very low | 33.1 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -90.4 | 169.8 | -172.1 | -118.7 | 172.1 | 173.5 | 158.3 | -4.7 | 113.1 | ||||
| 173 | S | 28.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 99.2 | 138.2 | 161 | 90.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 174 | S | 29.7 | Very low | 33.1 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | -160.6 | 169.1 | 5.9 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 175 | R | 32.9 | Very low | 33.3 | Very low | 230 Ų | 230 | 148.8 Ų | 148.8 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -65.9 | 149 | -175.9 | -58 | 156.6 | 80.9 | 165.8 | 4.5 | 112.6 | ||||
| 176 | T | 32.2 | Very low | 33.4 | Very low | 141 Ų | 141 | 146 Ų | 146 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | 175.3 | 143.5 | 117 | 34.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 177 | D | 33.3 | Very low | 33.7 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -38 | 145.3 | 165.2 | -91.4 | -45.7 | 0 | 0 | 0 | 115.3 | ||||
| 178 | S | 31.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 163.1 | 149.4 | 114 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 179 | N | 36.2 | Very low | 33.7 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -53.8 | 160.7 | -177.5 | -112.9 | -1.2 | 0 | 0 | 0 | 115.7 | ||||
| 180 | E | 33.6 | Very low | 33.8 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | 84.1 | 102.8 | 150.6 | -143.9 | -174 | 162.6 | 0 | 0 | 117.9 | ||||
| 181 | R | 31.9 | Very low | 34 | Very low | 213 Ų | 213 | 146.9 Ų | 146.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | 158.9 | 137.4 | 120.2 | -89.1 | -174 | -87.9 | -135.6 | -1.1 | 114 | |||||
| 182 | V | 35 | Very low | 34.4 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | 54.1 | 103.2 | 137.1 | -174.8 | 0 | 0 | 0 | 0 | 117.3 | V184 | V182-V184 HydrophobicContact CG1-CG2 3.87Š| ||
| 183 | A | 32 | Very low | 34.6 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -92 | 98 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 184 | V | 36 | Very low | 35 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 122.9 | 155.6 | 175.2 | 0 | 0 | 0 | 0 | 106.4 | V182 | V182-V184 HydrophobicContact CG1-CG2 3.87Š| ||
| 185 | I | 36.7 | Very low | 35.4 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -117.4 | 113.5 | 165.2 | -58.6 | 178.2 | 0 | 0 | 0 | 106.4 | ||||
| 186 | A | 33.6 | Very low | 35.6 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -77.8 | 160 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 187 | D | 37.7 | Very low | 35.9 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -60.3 | 166 | -174.8 | -104.1 | -30.9 | 0 | 0 | 0 | 117 | ||||
| 188 | E | 36.2 | Very low | 36.1 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 81.6 | 98.2 | 154.8 | -74.8 | -58.2 | 140.5 | 0 | 0 | 120.4 | ||||
| 189 | A | 38.3 | Very low | 36.3 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | -174.4 | 86.9 | 123 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 190 | Y | 39 | Very low | 36.6 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -119.7 | 104.7 | 164.9 | -172.2 | -100.3 | 0 | 0 | 0 | 109.7 | P192 | Y190-P192 HydrophobicContact CD1-CG 4.26Å; Y190-P192 HydrophobicContact CE1-CB 3.82Å; Y190-P192 HydrophobicContact CE1-CG 3.89Å | ||
| 191 | S | 36.4 | Very low | 37 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -112.1 | 107.6 | 176.8 | -165.1 | 0 | 0 | 0 | 0 | 109 | A193 | S191-A193 PolarHBondContact O-N 3.5Š| ||
| 192 | P | 40.2 | Very low | 37.5 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -96.3 | 86.3 | 178.3 | 33.3 | -26.4 | 0 | 0 | 0 | 110.3 | Y190 | Y190-P192 HydrophobicContact CD1-CG 4.26Å; Y190-P192 HydrophobicContact CE1-CB 3.82Å; Y190-P192 HydrophobicContact CE1-CG 3.89Å | ||
| 193 | A | 36 | Very low | 37.9 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | trans | -158.3 | 98.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S191 | S191-A193 PolarHBondContact O-N 3.5Š| ||
| 194 | D | 37.2 | Very low | 38.4 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -171.5 | 88.5 | 144.1 | -106 | -17.8 | 0 | 0 | 0 | 111.2 | ||||
| 195 | S | 37.3 | Very low | 38.7 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -165.2 | 79.4 | 147 | 71.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 196 | V | 37.9 | Very low | 39.1 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -108.7 | 106.3 | 167.7 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 197 | L | 38.8 | Very low | 39.5 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 127.2 | 155.5 | -73.1 | 174.8 | 0 | 0 | 0 | 107.2 | ||
| 198 | P | 37.7 | Very low | 40 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 124.8 | -176.7 | 30 | -30.8 | 0 | 0 | 0 | 111.4 | ||
| 199 | T | 35.5 | Very low | 40.3 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 132.3 | 157.2 | 44.8 | 0 | 0 | 0 | 0 | 108.9 | V201 | T199-V201 PolarHBondContact O-N 3.34Š|
| 200 | P | 41.8 | Very low | 40.7 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 120.9 | -174.1 | 30.2 | -32.6 | 0 | 0 | 0 | 110.5 | ||
| 201 | V | 41.8 | Very low | 40.9 | Very low | 137 Ų | 137 | 128 Ų | 128 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | trans | -129.3 | 127.4 | 165.5 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | T199 | T199-V201 PolarHBondContact O-N 3.34Š| ||
| 202 | A | 42.4 | Very low | 41.2 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | trans | -46.2 | 138.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H204 | A202-H204 PolarHBondContact O-N 3.44Š| ||
| 203 | E | 43.6 | Very low | 41.2 | Very low | 190 Ų | 190 | 132.4 Ų | 132.4 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -65.3 | 95.5 | 170.2 | -60.8 | -176.1 | 163.2 | 0 | 0 | 110.3 | ||
| 204 | H | 42.5 | Very low | 41.4 | Very low | 154 Ų | 154 | 137 Ų | 137 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -151.1 | 5.1 | 160.9 | -103.1 | -58.6 | 0 | 0 | 0 | 114.4 | A202 | A202-H204 PolarHBondContact O-N 3.44Š| ||
| 205 | S | 41.8 | Very low | 41.3 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -102.2 | -8.9 | -173.8 | -163 | 0 | 0 | 0 | 0 | 115.2 | ||
| 206 | L | 45.7 | Very low | 41.1 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -83 | -29.5 | -178.6 | -100.2 | 153.9 | 0 | 0 | 0 | 112.7 | M209 L210 | L206-M209 PolarHBondContact O-N 3.19Å; L206-L210 PolarHBondContact O-N 3.34Å |
| 207 | E | 42.1 | Very low | 40.7 | Very low | 143 Ų | 143 | 135 Ų | 135 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -76.4 | -35 | -178.5 | -156 | 172.3 | -171.8 | 0 | 0 | 112.6 | M209 L210 L211 | E207-M209 VanDerWaalsContact C-N 3.3Å; E207-M209 PolarHBondContact O-N 2.78Å; E207-L210 PolarHBondContact O-N 2.77Å; E207-L211 PolarHBondContact O-N 2.75Å |
| 208 | L | 47.1 | Very low | 40.1 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -72.2 | -19.8 | 174.2 | -87.8 | 157.8 | 0 | 0 | 0 | 113.8 | S212 | L208-S212 PolarHBondContact O-OG 2.94Å; L208-S212 VanDerWaalsContact O-OG 3.11Å |
| 209 | M | 43.5 | Very low | 39.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 58% | 0.581 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -86.7 | -22.8 | 179 | -150 | -178 | -55.3 | 0 | 0 | 112.6 | L206 E207 S212 | L206-M209 PolarHBondContact O-N 3.19Å; E207-M209 VanDerWaalsContact C-N 3.3Å; E207-M209 PolarHBondContact O-N 2.78Å; M209-S212 PolarHBondContact O-OG 3.47Å |
| 210 | L | 46.3 | Very low | 39.3 | Very low | 120 Ų | 120 | 133 Ų | 133 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -84 | -29.9 | 176.5 | -69.1 | 177.1 | 0 | 0 | 0 | 112.7 | L206 E207 | L206-L210 PolarHBondContact O-N 3.34Å; E207-L210 PolarHBondContact O-N 2.77Å |
| 211 | L | 43 | Very low | 38.5 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -76.4 | -21.5 | 174.3 | -72.6 | 173.5 | 0 | 0 | 0 | 113.9 | E207 | E207-L211 PolarHBondContact O-N 2.75Å |
| 212 | S | 42.3 | Very low | 37.9 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -8.3 | 179.7 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | L208 M209 | L208-S212 PolarHBondContact O-OG 2.94Å; L208-S212 VanDerWaalsContact O-OG 3.11Å; M209-S212 PolarHBondContact O-OG 3.47Å |
| 213 | R | 41.4 | Very low | 37.3 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 82% | 0.819 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 5.1 | 178.5 | -153.5 | 166.1 | 84.3 | -171.4 | 5 | 114.4 | ||
| 214 | Q | 39.7 | Very low | 36.7 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -121.8 | 14.3 | -177.7 | -110.6 | -152.2 | -66.8 | 0 | 0 | 116.7 | ||
| 215 | I | 35.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -141.6 | 129.2 | 173.6 | -28 | 173.6 | 0 | 0 | 0 | 109.4 | ||
| 216 | N | 32.7 | Very low | 35.6 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | 108.3 | 68.5 | 170.6 | -52.8 | -20.6 | 0 | 0 | 0 | 116 | ||||
| 217 | G | 28.4 | Very low | 34.7 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -152.3 | 67.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 218 | A | 27.3 | Very low | 34.2 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -153.4 | 124.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 219 | T | 26.9 | Very low | 33.5 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -68.2 | 120 | 169.4 | -50.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 220 | C | 29 | Very low | 32.7 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -113.9 | 116.3 | 163.4 | -68.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 221 | S | 25.4 | Very low | 31.9 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -74.9 | 135.4 | 165.9 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 222 | I | 29.5 | Very low | 31.1 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | 53.8 | 108.5 | 137.9 | -58.5 | 168.3 | 0 | 0 | 0 | 116.5 | ||||
| 223 | E | 28.7 | Very low | 31.4 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 137 | 134.6 | -74.3 | -170.3 | 156.8 | 0 | 0 | 109.5 | ||||
| 224 | E | 31.9 | Very low | 30.7 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -68.5 | 140.7 | -175.4 | -74.2 | 167.7 | 125 | 0 | 0 | 111.9 | ||||
| 225 | E | 29.5 | Very low | 30.2 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -108.1 | 111.4 | 145.9 | -70.9 | -171.3 | 156.8 | 0 | 0 | 107.4 | ||||
| 226 | K | 32.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -133.2 | 103.2 | 162.7 | -170.4 | -179.6 | 179.6 | -178.9 | 0 | 108.1 | ||||
| 227 | E | 27.1 | Very low | 29.7 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -95.9 | 120.7 | 165 | -162.4 | 173.9 | -165.6 | 0 | 0 | 107.6 | ||||
| 228 | S | 30.8 | Very low | 29.8 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 166.2 | 113.6 | 141.6 | -86.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 229 | E | 31.6 | Very low | 30 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | 86.6 | 119.7 | 139.9 | -60 | -174 | 169.2 | 0 | 0 | 122.1 | ||||
| 230 | A | 27.4 | Very low | 30.5 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 89.2 | 104.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 231 | S | 29 | Very low | 30.9 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | 73.9 | 125.5 | 129.7 | -54.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 232 | T | 27.4 | Very low | 31.3 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | -59.3 | -179 | 165 | 11 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 233 | P | 47.6 | Very low | 31.5 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | cis | -139.4 | -165.8 | -34.8 | 33.8 | -12.2 | 0 | 0 | 0 | 114.7 | ||||
| 234 | T | 26.7 | Very low | 31.9 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 102 | 138.1 | 158.4 | 74.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 235 | A | 28.7 | Very low | 32.2 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | cis | -162.4 | 154.4 | 14.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 236 | T | 30.5 | Very low | 32.5 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | trans | 23.1 | 139.6 | 134.7 | 47.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 237 | E | 27.7 | Very low | 32.8 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | cis | 172.7 | 163.1 | 22.8 | -126 | 178.2 | 162.5 | 0 | 0 | 108.7 | ||||
| 238 | V | 30.3 | Very low | 33.5 | Very low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | 51.8 | 115 | 154.6 | -126.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 239 | E | 32.2 | Very low | 34.1 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | 162.1 | 108.8 | 98.5 | -96 | -162.1 | 152.2 | 0 | 0 | 110.8 | |||||
| 240 | A | 37.9 | Very low | 34.4 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -80.7 | 109.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 241 | L | 36.9 | Very low | 34.8 | Very low | 186 Ų | 186 | 134 Ų | 134 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | trans | 175.5 | 79.4 | 147.1 | -114.6 | 117.6 | 0 | 0 | 0 | 109.4 | ||||
| 242 | G | 34.5 | Very low | 35.3 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -179.7 | 12.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 243 | G | 32.7 | Very low | 36 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -112.8 | -9.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116 | L245 | G243-L245 PolarHBondContact O-N 2.93Š|
| 244 | E | 37.1 | Very low | 35.8 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 6.3 | -165.8 | -154.9 | 144 | 176.8 | 0 | 0 | 114.4 | ||
| 245 | L | 37.7 | Very low | 37.3 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 29.5 | -177.9 | -128.7 | 155.4 | 0 | 0 | 0 | 113.5 | G243 | G243-L245 PolarHBondContact O-N 2.93Š|
| 246 | R | 36.6 | Very low | 38.6 | Very low | 234 Ų | 234 | 134.2 Ų | 134.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -124.7 | 23.2 | 163 | -150.7 | 173.9 | -87.5 | -129 | 0.9 | 112.6 | L248 | R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 2.88Å | ||
| 247 | A | 38.8 | Very low | 39.9 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -85.3 | 19.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 248 | L | 41.2 | Very low | 41.8 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -127.6 | 13.9 | -172.7 | -79.1 | 178 | 0 | 0 | 0 | 116.6 | R246 | R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 2.88Å |
| 249 | C | 43.6 | Very low | 43.7 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 86% | 0.858 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -152.1 | 30 | -179.3 | -87.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 250 | Q | 38.3 | Very low | 46 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -125.5 | 116.7 | 159.5 | -93.4 | 178.2 | 8.7 | 0 | 0 | 110.5 | ||
| 251 | G | 34.8 | Very low | 48.1 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | -59.6 | 144.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S253 | G251-S253 PolarHBondContact O-N 2.89Š| ||
| 252 | H | 40.8 | Very low | 50.5 | Low | 194 Ų | 194 | 126.8 Ų | 126.8 | 90% | 0.898 | 71% | 0.712 | S | S | * | * | trans | -63 | 87.8 | 172.6 | -166.1 | 86.7 | 0 | 0 | 0 | 110.7 | ||||
| 253 | S | 42 | Very low | 53 | Low | 79 Ų | 79 | 129.6 Ų | 129.6 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | trans | -102.1 | 111.1 | 156.8 | 53.1 | 0 | 0 | 0 | 0 | 107.2 | G251 E257 | G251-S253 PolarHBondContact O-N 2.89Å; S253-E257 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 254 | G | 43.1 | Very low | 55.8 | Low | 26 Ų | 26 | 130.3 Ų | 130.3 | 27% | 0.268 | 69% | 0.69 | S | S | . | * | trans | -61.1 | 160.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E256 E257 | G254-E256 PolarHBondContact O-N 2.75Å; G254-E257 PolarHBondContact O-N 3.24Å | ||
| 255 | P | 57.3 | Low | 58.2 | Low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -59.1 | -14 | 178.4 | 23.1 | -32.8 | 0 | 0 | 0 | 114 | ||
| 256 | E | 56.9 | Low | 60.7 | Low | 157 Ų | 157 | 120.7 Ų | 120.7 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.7 | -34.5 | 173.4 | -60 | -164.4 | 149.3 | 0 | 0 | 112.9 | G254 Q259 V260 | G254-E256 PolarHBondContact O-N 2.75Å; E256-Q259 PolarHBondContact O-N 2.81Å; E256-V260 WeakPolarHBondContact O-CG2 3.28Å; E256-V260 PolarHBondContact O-N 3.11Å |
| 257 | E | 57.9 | Low | 63.4 | Low | 123 Ų | 123 | 112.3 Ų | 112.3 | 58% | 0.575 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.3 | -33.7 | -177.9 | -68.9 | -167.4 | 164.4 | 0 | 0 | 112.4 | S253 G254 V260 N261 | S253-E257 WeakPolarHBondContact CB-OE2 3.39Å; G254-E257 PolarHBondContact O-N 3.24Å; E257-V260 WeakPolarHBondContact O-CG2 3.37Å; E257-N261 WeakPolarHBondContact O-CB 3.19Å; E257-N261 PolarHBondContact O-N 2.84Å; E257-N261 VanDerWaalsContact O-N 3.13Å |
| 258 | E | 66.3 | Low | 66.1 | Low | 119 Ų | 119 | 112.3 Ų | 112.3 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.1 | -33.9 | 179.2 | -150.4 | -168.9 | 139.8 | 0 | 0 | 112 | K262 | E258-K262 WeakPolarHBondContact O-CG 3.34Å; E258-K262 PolarHBondContact O-N 3.47Å; E258-K262 VanDerWaalsContact O-N 3.11Å; E258-K262 VanDerWaalsContact OE1-CE 3.3Å; E258-K262 WeakPolarHBondContact OE1-CE 3.31Å; E258-K262 IonicContact OE1-NZ 3.4Å; E258-K262 PolarHBondContact OE1-NZ 3.23Å |
| 259 | Q | 70.6 | Confident | 68.6 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -41.6 | 177.5 | -166.9 | 177.9 | 30.4 | 0 | 0 | 111.6 | E256 N261 K262 F263 | E256-Q259 PolarHBondContact O-N 2.81Å; Q259-N261 VanDerWaalsContact C-N 3.34Å; Q259-K262 PolarHBondContact O-N 2.88Å; Q259-F263 PolarHBondContact O-N 3.42Å |
| 260 | V | 80.1 | Confident | 71 | Confident | 87 Ų | 87 | 111.8 Ų | 111.8 | 53% | 0.527 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.6 | -36.8 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | E256 E257 K262 F263 V264 | E256-V260 WeakPolarHBondContact O-CG2 3.28Å; E256-V260 PolarHBondContact O-N 3.11Å; E257-V260 WeakPolarHBondContact O-CG2 3.37Å; V260-K262 PolarHBondContact O-N 3.31Å; V260-F263 PolarHBondContact O-N 3.48Å; V260-V264 WeakPolarHBondContact O-CB 3.38Å; V260-V264 WeakPolarHBondContact O-CG2 3.22Å; V260-V264 PolarHBondContact O-N 2.84Å |
| 261 | N | 82.4 | Confident | 73.7 | Confident | 109 Ų | 109 | 107 Ų | 107 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.6 | -40.3 | 176.5 | -166.4 | 15.4 | 0 | 0 | 0 | 111.8 | E257 Q259 V264 L265 | E257-N261 WeakPolarHBondContact O-CB 3.19Å; E257-N261 PolarHBondContact O-N 2.84Å; E257-N261 VanDerWaalsContact O-N 3.13Å; Q259-N261 VanDerWaalsContact C-N 3.34Å; N261-V264 PolarHBondContact O-N 3.28Å; N261-L265 VanDerWaalsContact O-CB 3.25Å; N261-L265 WeakPolarHBondContact O-CB 3.35Å; N261-L265 PolarHBondContact O-N 2.8Å |
| 262 | K | 87.3 | Confident | 76.5 | Confident | 130 Ų | 130 | 109.2 Ų | 109.2 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -41.6 | 173.2 | -72.2 | 168.4 | -172.8 | 166 | 0 | 112.1 | E258 Q259 V260 S266 | E258-K262 WeakPolarHBondContact O-CG 3.34Å; E258-K262 PolarHBondContact O-N 3.47Å; E258-K262 VanDerWaalsContact O-N 3.11Å; E258-K262 VanDerWaalsContact OE1-CE 3.3Å; E258-K262 WeakPolarHBondContact OE1-CE 3.31Å; E258-K262 IonicContact OE1-NZ 3.4Å; E258-K262 PolarHBondContact OE1-NZ 3.23Å; Q259-K262 PolarHBondContact O-N 2.88Å; V260-K262 PolarHBondContact O-N 3.31Å; K262-S266 WeakPolarHBondContact O-CB 3.49Å; K262-S266 PolarHBondContact O-N 3.41Å |
| 263 | F | 87.3 | Confident | 79.1 | Confident | 144 Ų | 144 | 104.8 Ų | 104.8 | 63% | 0.632 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -48 | 175.5 | 178 | -100.3 | 0 | 0 | 0 | 111.9 | Q259 V260 L265 S266 V267 | Q259-F263 PolarHBondContact O-N 3.42Å; V260-F263 PolarHBondContact O-N 3.48Å; F263-L265 VanDerWaalsContact C-N 3.32Å; F263-L265 PolarHBondContact O-N 2.92Å; F263-S266 WeakPolarHBondContact O-CB 3.01Å; F263-S266 PolarHBondContact O-N 3.25Å; F263-S266 VanDerWaalsContact O-N 3.15Å; F263-V267 HydrophobicContact CD1-CG2 4.22Å; F263-V267 HydrophobicContact CE1-CG2 3.81Å; F263-V267 HydrophobicContact CE2-CG2 4.14Å; F263-V267 HydrophobicContact CZ-CG2 3.76Å; F263-V267 WeakPolarHBondContact O-CG2 3.33Å; F263-V267 PolarHBondContact O-N 3.06Å |
| 264 | V | 91.4 | Very high | 81.5 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 178.1 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | V260 N261 S266 V267 L268 | V260-V264 WeakPolarHBondContact O-CB 3.38Å; V260-V264 WeakPolarHBondContact O-CG2 3.22Å; V260-V264 PolarHBondContact O-N 2.84Å; N261-V264 PolarHBondContact O-N 3.28Å; V264-S266 PolarHBondContact O-N 3.46Å; V264-V267 PolarHBondContact O-N 2.93Å; V264-L268 VanDerWaalsContact O-CB 3.29Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 PolarHBondContact O-N 3.37Å |
| 265 | L | 87.7 | Confident | 83.9 | Confident | 76 Ų | 76 | 109 Ų | 109 | 40% | 0.398 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.1 | -38.6 | 176.1 | -173 | 64.6 | 0 | 0 | 0 | 112.1 | N261 F263 L268 R269 | N261-L265 VanDerWaalsContact O-CB 3.25Å; N261-L265 WeakPolarHBondContact O-CB 3.35Å; N261-L265 PolarHBondContact O-N 2.8Å; F263-L265 VanDerWaalsContact C-N 3.32Å; F263-L265 PolarHBondContact O-N 2.92Å; L265-L268 PolarHBondContact O-N 2.84Å; L265-R269 WeakPolarHBondContact O-CB 3.5Å; L265-R269 VanDerWaalsContact O-CG 3.25Å; L265-R269 WeakPolarHBondContact O-CG 3.31Å; L265-R269 PolarHBondContact O-N 3.49Å |
| 266 | S | 90.6 | Very high | 85.5 | Confident | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 174.4 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | K262 F263 V264 R269 L270 | K262-S266 WeakPolarHBondContact O-CB 3.49Å; K262-S266 PolarHBondContact O-N 3.41Å; F263-S266 WeakPolarHBondContact O-CB 3.01Å; F263-S266 PolarHBondContact O-N 3.25Å; F263-S266 VanDerWaalsContact O-N 3.15Å; V264-S266 PolarHBondContact O-N 3.46Å; S266-R269 PolarHBondContact O-N 2.9Å; S266-L270 PolarHBondContact O-N 3.33Å |
| 267 | V | 94.2 | Very high | 87.2 | Confident | 57 Ų | 57 | 103.4 Ų | 103.4 | 35% | 0.345 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | F263 V264 R269 L270 L271 | F263-V267 HydrophobicContact CD1-CG2 4.22Å; F263-V267 HydrophobicContact CE1-CG2 3.81Å; F263-V267 HydrophobicContact CE2-CG2 4.14Å; F263-V267 HydrophobicContact CZ-CG2 3.76Å; F263-V267 WeakPolarHBondContact O-CG2 3.33Å; F263-V267 PolarHBondContact O-N 3.06Å; V264-V267 PolarHBondContact O-N 2.93Å; V267-R269 VanDerWaalsContact C-N 3.34Å; V267-R269 PolarHBondContact O-N 3.31Å; V267-L270 PolarHBondContact O-N 2.91Å; V267-L271 HydrophobicContact CG1-CD1 4.08Å; V267-L271 HydrophobicContact CG1-CG 4.34Å; V267-L271 VanDerWaalsContact O-CG 3.3Å; V267-L271 WeakPolarHBondContact O-CG 3.23Å; V267-L271 PolarHBondContact O-N 3.3Å |
| 268 | L | 94.1 | Very high | 88.8 | Confident | 87 Ų | 87 | 102.6 Ų | 102.6 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.3 | -177.1 | 64.4 | 0 | 0 | 0 | 111.4 | V264 L265 L271 L272 | V264-L268 VanDerWaalsContact O-CB 3.29Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 PolarHBondContact O-N 3.37Å; L265-L268 PolarHBondContact O-N 2.84Å; L268-L271 PolarHBondContact O-N 2.81Å; L268-L272 HydrophobicContact CG-CD1 4.28Å; L268-L272 WeakPolarHBondContact O-CB 3.33Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.39Å; L268-L272 PolarHBondContact O-N 3.35Å |
| 269 | R | 93.6 | Very high | 89.8 | Confident | 159 Ų | 159 | 101 Ų | 101 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -45.3 | 174 | -76.2 | 173.5 | -178.5 | 179.6 | 1.3 | 111.4 | L265 S266 V267 L271 L272 V273 | L265-R269 WeakPolarHBondContact O-CB 3.5Å; L265-R269 VanDerWaalsContact O-CG 3.25Å; L265-R269 WeakPolarHBondContact O-CG 3.31Å; L265-R269 PolarHBondContact O-N 3.49Å; S266-R269 PolarHBondContact O-N 2.9Å; V267-R269 VanDerWaalsContact C-N 3.34Å; V267-R269 PolarHBondContact O-N 3.31Å; R269-L271 VanDerWaalsContact C-N 3.33Å; R269-L271 PolarHBondContact O-N 3.24Å; R269-L272 PolarHBondContact O-N 3.13Å; R269-V273 VanDerWaalsContact O-CG2 3.29Å; R269-V273 WeakPolarHBondContact O-CG2 3.26Å; R269-V273 PolarHBondContact O-N 3.23Å |
| 270 | L | 94.7 | Very high | 90.6 | Very high | 112 Ų | 112 | 98.2 Ų | 98.2 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 176.1 | -177.2 | 63.7 | 0 | 0 | 0 | 111.6 | S266 V267 V273 T274 | S266-L270 PolarHBondContact O-N 3.33Å; V267-L270 PolarHBondContact O-N 2.91Å; L270-V273 PolarHBondContact O-N 2.87Å; L270-T274 HydrophobicContact CD1-CG2 4.34Å; L270-T274 WeakPolarHBondContact O-CB 3.25Å; L270-T274 VanDerWaalsContact O-CG2 3.25Å; L270-T274 WeakPolarHBondContact O-CG2 3.5Å; L270-T274 PolarHBondContact O-N 2.79Å; L270-T274 PolarHBondContact O-OG1 2.82Å |
| 271 | L | 94.1 | Very high | 91 | Very high | 98 Ų | 98 | 98.8 Ų | 98.8 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.4 | -70.8 | 175.9 | 0 | 0 | 0 | 111.8 | V267 L268 R269 T274 M275 | V267-L271 HydrophobicContact CG1-CD1 4.08Å; V267-L271 HydrophobicContact CG1-CG 4.34Å; V267-L271 VanDerWaalsContact O-CG 3.3Å; V267-L271 WeakPolarHBondContact O-CG 3.23Å; V267-L271 PolarHBondContact O-N 3.3Å; L268-L271 PolarHBondContact O-N 2.81Å; R269-L271 VanDerWaalsContact C-N 3.33Å; R269-L271 PolarHBondContact O-N 3.24Å; L271-T274 VanDerWaalsContact CA-OG1 3.32Å; L271-T274 WeakPolarHBondContact CA-OG1 3.36Å; L271-T274 PolarHBondContact O-N 3.04Å; L271-T274 PolarHBondContact O-OG1 3.03Å; L271-M275 VanDerWaalsContact O-CB 3.31Å; L271-M275 WeakPolarHBondContact O-CB 3.17Å; L271-M275 WeakPolarHBondContact O-CG 3.46Å; L271-M275 PolarHBondContact O-N 2.91Å |
| 272 | L | 93.2 | Very high | 91.1 | Very high | 117 Ų | 117 | 95.6 Ų | 95.6 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 176.3 | -72.5 | 171.1 | 0 | 0 | 0 | 111.9 | L268 R269 G276 | L268-L272 HydrophobicContact CG-CD1 4.28Å; L268-L272 WeakPolarHBondContact O-CB 3.33Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.39Å; L268-L272 PolarHBondContact O-N 3.35Å; R269-L272 PolarHBondContact O-N 3.13Å; L272-G276 PolarHBondContact O-N 2.62Å |
| 273 | V | 96 | Very high | 90.9 | Very high | 100 Ų | 100 | 92.4 Ų | 92.4 | 61% | 0.606 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | R269 L270 G276 L277 | R269-V273 VanDerWaalsContact O-CG2 3.29Å; R269-V273 WeakPolarHBondContact O-CG2 3.26Å; R269-V273 PolarHBondContact O-N 3.23Å; L270-V273 PolarHBondContact O-N 2.87Å; V273-G276 PolarHBondContact O-N 2.91Å; V273-L277 WeakPolarHBondContact O-CB 3.13Å; V273-L277 PolarHBondContact O-N 2.96Å |
| 274 | T | 92.9 | Very high | 90.7 | Very high | 66 Ų | 66 | 89.8 Ų | 89.8 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 179.3 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | L270 L271 L277 L278 | L270-T274 HydrophobicContact CD1-CG2 4.34Å; L270-T274 WeakPolarHBondContact O-CB 3.25Å; L270-T274 VanDerWaalsContact O-CG2 3.25Å; L270-T274 WeakPolarHBondContact O-CG2 3.5Å; L270-T274 PolarHBondContact O-N 2.79Å; L270-T274 PolarHBondContact O-OG1 2.82Å; L271-T274 VanDerWaalsContact CA-OG1 3.32Å; L271-T274 WeakPolarHBondContact CA-OG1 3.36Å; L271-T274 PolarHBondContact O-N 3.04Å; L271-T274 PolarHBondContact O-OG1 3.03Å; T274-L277 PolarHBondContact O-N 2.69Å; T274-L278 WeakPolarHBondContact O-CB 3.5Å; T274-L278 PolarHBondContact O-N 3.28Å |
| 275 | M | 92.3 | Very high | 90.3 | Very high | 128 Ų | 128 | 90 Ų | 90 | 63% | 0.631 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.1 | -39.2 | 174.4 | -68.9 | -65.8 | -88.1 | 0 | 0 | 111.7 | L271 L278 F279 | L271-M275 VanDerWaalsContact O-CB 3.31Å; L271-M275 WeakPolarHBondContact O-CB 3.17Å; L271-M275 WeakPolarHBondContact O-CG 3.46Å; L271-M275 PolarHBondContact O-N 2.91Å; M275-L278 PolarHBondContact O-N 3.3Å; M275-F279 WeakPolarHBondContact O-CB 3.3Å; M275-F279 PolarHBondContact O-N 3.45Å |
| 276 | G | 91.8 | Very high | 89.8 | Confident | 34 Ų | 34 | 87.4 Ų | 87.4 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L272 V273 L278 F279 V280 | L272-G276 PolarHBondContact O-N 2.62Å; V273-G276 PolarHBondContact O-N 2.91Å; G276-L278 VanDerWaalsContact C-N 3.33Å; G276-L278 PolarHBondContact O-N 3.23Å; G276-F279 WeakPolarHBondContact O-CB 3.2Å; G276-F279 PolarHBondContact O-N 3.29Å; G276-V280 WeakPolarHBondContact O-CG2 3.33Å; G276-V280 PolarHBondContact O-N 2.88Å |
| 277 | L | 93.1 | Very high | 89.2 | Confident | 124 Ų | 124 | 88.6 Ų | 88.6 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.3 | -42.1 | 175.9 | -176.8 | 66.8 | 0 | 0 | 0 | 111.7 | V273 T274 F279 V280 L281 | V273-L277 WeakPolarHBondContact O-CB 3.13Å; V273-L277 PolarHBondContact O-N 2.96Å; T274-L277 PolarHBondContact O-N 2.69Å; L277-F279 VanDerWaalsContact C-N 3.32Å; L277-F279 PolarHBondContact O-N 3.44Å; L277-V280 PolarHBondContact O-N 3.09Å; L277-L281 WeakPolarHBondContact O-CB 3.28Å; L277-L281 PolarHBondContact O-N 3.42Å |
| 278 | L | 90.4 | Very high | 88.4 | Confident | 107 Ų | 107 | 88.7 Ų | 88.7 | 56% | 0.56 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.5 | -38.4 | 176.7 | -171.9 | 143.4 | 0 | 0 | 0 | 111.6 | T274 M275 G276 L281 L282 | T274-L278 WeakPolarHBondContact O-CB 3.5Å; T274-L278 PolarHBondContact O-N 3.28Å; M275-L278 PolarHBondContact O-N 3.3Å; G276-L278 VanDerWaalsContact C-N 3.33Å; G276-L278 PolarHBondContact O-N 3.23Å; L278-L281 PolarHBondContact O-N 3.02Å; L278-L282 WeakPolarHBondContact O-CB 3.32Å; L278-L282 PolarHBondContact O-N 3.21Å |
| 279 | F | 87.3 | Confident | 87.2 | Confident | 84 Ų | 84 | 86.1 Ų | 86.1 | 37% | 0.368 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 174.7 | -175.3 | -102.6 | 0 | 0 | 0 | 112.1 | M275 G276 L277 L282 L283 F322 | M275-F279 WeakPolarHBondContact O-CB 3.3Å; M275-F279 PolarHBondContact O-N 3.45Å; G276-F279 WeakPolarHBondContact O-CB 3.2Å; G276-F279 PolarHBondContact O-N 3.29Å; L277-F279 VanDerWaalsContact C-N 3.32Å; L277-F279 PolarHBondContact O-N 3.44Å; F279-L282 WeakPolarHBondContact O-CB 3.44Å; F279-L282 PolarHBondContact O-N 2.92Å; F279-L283 HydrophobicContact CD1-CD1 3.95Å; F279-L283 HydrophobicContact CD1-CG 4.36Å; F279-L283 HydrophobicContact CE1-CD1 3.44Å; F279-L283 VanDerWaalsContact CE1-CD1 3.44Å; F279-L283 HydrophobicContact CE1-CG 4.02Å; F279-L283 HydrophobicContact CZ-CD1 3.98Å; F279-L283 HydrophobicContact CZ-CD2 4.32Å; F279-L283 HydrophobicContact CZ-CG 4.19Å; F279-L283 WeakPolarHBondContact O-CG 3.45Å; F279-L283 PolarHBondContact O-N 2.91Å; F279-F322 HydrophobicContact CD2-CE1 4.38Å; F279-F322 HydrophobicContact CE2-CD1 4.28Å; F279-F322 AromaticContact CE2-CE1 3.86Å; F279-F322 HydrophobicContact CE2-CE1 3.86Å |
| 280 | V | 89.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 85.1 Ų | 85.1 | 52% | 0.515 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 174.1 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | G276 L277 L282 L283 L284 | G276-V280 WeakPolarHBondContact O-CG2 3.33Å; G276-V280 PolarHBondContact O-N 2.88Å; L277-V280 PolarHBondContact O-N 3.09Å; V280-L282 VanDerWaalsContact C-N 3.28Å; V280-L282 PolarHBondContact O-N 3.5Å; V280-L283 PolarHBondContact O-N 3.36Å; V280-L284 WeakPolarHBondContact O-CB 3.44Å; V280-L284 PolarHBondContact O-N 2.92Å |
| 281 | L | 87.6 | Confident | 84.8 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.8 | -179.7 | 64.2 | 0 | 0 | 0 | 111.3 | L277 L278 L284 L285 | L277-L281 WeakPolarHBondContact O-CB 3.28Å; L277-L281 PolarHBondContact O-N 3.42Å; L278-L281 PolarHBondContact O-N 3.02Å; L281-L284 PolarHBondContact O-N 2.95Å; L281-L285 HydrophobicContact CG-CD1 4.39Å; L281-L285 VanDerWaalsContact O-CG 3.31Å; L281-L285 WeakPolarHBondContact O-CG 3.31Å; L281-L285 PolarHBondContact O-N 3.35Å |
| 282 | L | 85.2 | Confident | 83 | Confident | 42 Ų | 42 | 83.9 Ų | 83.9 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.5 | -177.7 | 61 | 0 | 0 | 0 | 112.4 | L278 F279 V280 L284 L285 I286 F322 | L278-L282 WeakPolarHBondContact O-CB 3.32Å; L278-L282 PolarHBondContact O-N 3.21Å; F279-L282 WeakPolarHBondContact O-CB 3.44Å; F279-L282 PolarHBondContact O-N 2.92Å; V280-L282 VanDerWaalsContact C-N 3.28Å; V280-L282 PolarHBondContact O-N 3.5Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L282-L285 PolarHBondContact O-N 3.44Å; L282-I286 HydrophobicContact CG-CD1 4.24Å; L282-I286 VanDerWaalsContact O-CG1 3.26Å; L282-I286 WeakPolarHBondContact O-CG1 3.15Å; L282-I286 PolarHBondContact O-N 3.42Å; L282-F322 HydrophobicContact CD2-CE1 4.12Å; L282-F322 HydrophobicContact CD2-CE2 3.49Å; L282-F322 VanDerWaalsContact CD2-CE2 3.49Å; L282-F322 HydrophobicContact CD2-CZ 3.17Å; L282-F322 HydrophobicContact CG-CE2 4.29Å; L282-F322 HydrophobicContact CG-CZ 4.31Å |
| 283 | L | 82.6 | Confident | 81.4 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 172.8 | -72.3 | -179.3 | 0 | 0 | 0 | 111.5 | F279 V280 I286 I287 | F279-L283 HydrophobicContact CD1-CD1 3.95Å; F279-L283 HydrophobicContact CD1-CG 4.36Å; F279-L283 HydrophobicContact CE1-CD1 3.44Å; F279-L283 VanDerWaalsContact CE1-CD1 3.44Å; F279-L283 HydrophobicContact CE1-CG 4.02Å; F279-L283 HydrophobicContact CZ-CD1 3.98Å; F279-L283 HydrophobicContact CZ-CD2 4.32Å; F279-L283 HydrophobicContact CZ-CG 4.19Å; F279-L283 WeakPolarHBondContact O-CG 3.45Å; F279-L283 PolarHBondContact O-N 2.91Å; V280-L283 PolarHBondContact O-N 3.36Å; L283-I286 HydrophobicContact CD2-CD1 4.39Å; L283-I286 WeakPolarHBondContact O-CB 3.36Å; L283-I286 PolarHBondContact O-N 3.43Å; L283-I287 WeakPolarHBondContact O-CB 3.31Å; L283-I287 VanDerWaalsContact O-CG1 3.25Å; L283-I287 WeakPolarHBondContact O-CG1 3.39Å; L283-I287 PolarHBondContact O-N 2.85Å |
| 284 | L | 83.8 | Confident | 79.5 | Confident | 90 Ų | 90 | 84.3 Ų | 84.3 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.4 | -171 | 146.9 | 0 | 0 | 0 | 111.1 | V280 L281 L282 I286 I287 L288 | V280-L284 WeakPolarHBondContact O-CB 3.44Å; V280-L284 PolarHBondContact O-N 2.92Å; L281-L284 PolarHBondContact O-N 2.95Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L284-I286 VanDerWaalsContact C-N 3.34Å; L284-I286 PolarHBondContact O-N 2.69Å; L284-I287 PolarHBondContact O-N 2.89Å; L284-L288 HydrophobicContact CD2-CD1 3.49Å; L284-L288 VanDerWaalsContact CD2-CD1 3.49Å; L284-L288 HydrophobicContact CD2-CG 3.96Å; L284-L288 WeakPolarHBondContact O-CB 3.45Å; L284-L288 VanDerWaalsContact O-CG 3.23Å; L284-L288 WeakPolarHBondContact O-CG 3.24Å; L284-L288 PolarHBondContact O-N 2.86Å |
| 285 | L | 81 | Confident | 78.2 | Confident | 87 Ų | 87 | 85.4 Ų | 85.4 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 173.2 | -74.1 | 170.2 | 0 | 0 | 0 | 112 | L281 L282 L288 T289 | L281-L285 HydrophobicContact CG-CD1 4.39Å; L281-L285 VanDerWaalsContact O-CG 3.31Å; L281-L285 WeakPolarHBondContact O-CG 3.31Å; L281-L285 PolarHBondContact O-N 3.35Å; L282-L285 PolarHBondContact O-N 3.44Å; L285-L288 PolarHBondContact O-N 2.98Å; L285-T289 PolarHBondContact O-N 2.86Å; L285-T289 PolarHBondContact O-OG1 2.96Å |
| 286 | I | 78.5 | Confident | 76.9 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 12% | 0.118 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 175.8 | -70.2 | 162.8 | 0 | 0 | 0 | 110.4 | L282 L283 L284 L288 T289 E290 F315 F322 | L282-I286 HydrophobicContact CG-CD1 4.24Å; L282-I286 VanDerWaalsContact O-CG1 3.26Å; L282-I286 WeakPolarHBondContact O-CG1 3.15Å; L282-I286 PolarHBondContact O-N 3.42Å; L283-I286 HydrophobicContact CD2-CD1 4.39Å; L283-I286 WeakPolarHBondContact O-CB 3.36Å; L283-I286 PolarHBondContact O-N 3.43Å; L284-I286 VanDerWaalsContact C-N 3.34Å; L284-I286 PolarHBondContact O-N 2.69Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.21Å; I286-T289 WeakPolarHBondContact CA-OG1 3.41Å; I286-T289 PolarHBondContact O-N 2.85Å; I286-T289 PolarHBondContact O-OG1 2.89Å; I286-E290 WeakPolarHBondContact O-CB 3.39Å; I286-E290 PolarHBondContact O-N 3.45Å; I286-F315 HydrophobicContact CB-CE2 4.46Å; I286-F315 HydrophobicContact CB-CZ 4.13Å; I286-F315 HydrophobicContact CG1-CE2 3.8Å; I286-F315 HydrophobicContact CG1-CZ 3.82Å; I286-F315 HydrophobicContact CG2-CZ 4.09Å; I286-F322 HydrophobicContact CD1-CD2 4.4Å |
| 287 | I | 78.4 | Confident | 76 | Confident | 99 Ų | 99 | 86.6 Ų | 86.6 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.6 | -68.1 | 164.6 | 0 | 0 | 0 | 110.3 | L283 L284 T289 E290 S291 | L283-I287 WeakPolarHBondContact O-CB 3.31Å; L283-I287 VanDerWaalsContact O-CG1 3.25Å; L283-I287 WeakPolarHBondContact O-CG1 3.39Å; L283-I287 PolarHBondContact O-N 2.85Å; L284-I287 PolarHBondContact O-N 2.89Å; I287-T289 VanDerWaalsContact C-N 3.3Å; I287-T289 PolarHBondContact O-N 3.28Å; I287-E290 PolarHBondContact O-N 2.69Å; I287-S291 WeakPolarHBondContact CG2-OG 3.35Å; I287-S291 WeakPolarHBondContact O-CB 3.49Å; I287-S291 PolarHBondContact O-N 2.96Å; I287-S291 PolarHBondContact O-OG 3.26Å |
| 288 | L | 76.6 | Confident | 74.8 | Confident | 59 Ų | 59 | 84.6 Ų | 84.6 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 177.1 | -75 | 178.2 | 0 | 0 | 0 | 112.5 | L284 L285 I286 L293 | L284-L288 HydrophobicContact CD2-CD1 3.49Å; L284-L288 VanDerWaalsContact CD2-CD1 3.49Å; L284-L288 HydrophobicContact CD2-CG 3.96Å; L284-L288 WeakPolarHBondContact O-CB 3.45Å; L284-L288 VanDerWaalsContact O-CG 3.23Å; L284-L288 WeakPolarHBondContact O-CG 3.24Å; L284-L288 PolarHBondContact O-N 2.86Å; L285-L288 PolarHBondContact O-N 2.98Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.21Å; L288-L293 HydrophobicContact CD2-CD1 3.51Å |
| 289 | T | 69.6 | Low | 73.6 | Confident | 32 Ų | 32 | 85.3 Ų | 85.3 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -73.3 | -34.3 | 176.1 | 42 | 0 | 0 | 0 | 0 | 113.3 | L285 I286 I287 R302 F307 F315 | L285-T289 PolarHBondContact O-N 2.86Å; L285-T289 PolarHBondContact O-OG1 2.96Å; I286-T289 WeakPolarHBondContact CA-OG1 3.41Å; I286-T289 PolarHBondContact O-N 2.85Å; I286-T289 PolarHBondContact O-OG1 2.89Å; I287-T289 VanDerWaalsContact C-N 3.3Å; I287-T289 PolarHBondContact O-N 3.28Å; T289-R302 PolarHBondContact O-NH1 2.96Å; T289-R302 VanDerWaalsContact O-NH1 3.07Å; T289-F307 HydrophobicContact CG2-CZ 4.04Å; T289-F315 HydrophobicContact CG2-CE2 4.34Å; T289-F315 WeakPolarHBondContact OG1-CE2 3.45Å; T289-F315 WeakPolarHBondContact OG1-CZ 3.39Å |
| 290 | E | 71.6 | Confident | 72.9 | Confident | 138 Ų | 138 | 85.8 Ų | 85.8 | 65% | 0.645 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -88 | -33.1 | -176.2 | -174.2 | 170.7 | -174.6 | 0 | 0 | 113 | I286 I287 D292 | I286-E290 WeakPolarHBondContact O-CB 3.39Å; I286-E290 PolarHBondContact O-N 3.45Å; I287-E290 PolarHBondContact O-N 2.69Å; E290-D292 PolarHBondContact O-N 2.97Å |
| 291 | S | 66.4 | Low | 72.1 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -71.3 | 124.3 | -179.9 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | I287 L293 R302 | I287-S291 WeakPolarHBondContact CG2-OG 3.35Å; I287-S291 WeakPolarHBondContact O-CB 3.49Å; I287-S291 PolarHBondContact O-N 2.96Å; I287-S291 PolarHBondContact O-OG 3.26Å; S291-L293 PolarHBondContact O-N 3.48Å; S291-R302 PolarHBondContact O-NH1 2.91Å; S291-R302 PolarHBondContact O-NH2 3.41Å |
| 292 | D | 56.4 | Low | 71.2 | Confident | 143 Ų | 143 | 82.5 Ų | 82.5 | 77% | 0.765 | 42% | 0.42 | S | S | * | . | trans | -68.4 | 64.5 | 161.4 | -88.7 | -42 | 0 | 0 | 0 | 109.6 | E290 D294 R302 | E290-D292 PolarHBondContact O-N 2.97Å; D292-D294 PolarHBondContact O-N 2.76Å; D292-R302 IonicContact OD1-NH2 2.79Å | ||
| 293 | L | 58.8 | Low | 70.6 | Confident | 68 Ų | 68 | 87.2 Ų | 87.2 | 36% | 0.356 | 44% | 0.441 | S | S | . | . | trans | -66.6 | 117.7 | 168.6 | -75.3 | 160 | 0 | 0 | 0 | 107 | L288 S291 I295 | L288-L293 HydrophobicContact CD2-CD1 3.51Å; S291-L293 PolarHBondContact O-N 3.48Å; L293-I295 PolarHBondContact O-N 3.01Å | ||
| 294 | D | 56.6 | Low | 70.4 | Confident | 157 Ų | 157 | 86.9 Ų | 86.9 | 84% | 0.84 | 44% | 0.442 | S | S | * | . | trans | -63.6 | 19.5 | 179.7 | -86.9 | -35.9 | 0 | 0 | 0 | 114.6 | D292 A296 | D292-D294 PolarHBondContact O-N 2.76Å; D294-A296 PolarHBondContact O-N 2.89Å | ||
| 295 | I | 65.2 | Low | 69.9 | Low | 89 Ų | 89 | 87.4 Ų | 87.4 | 46% | 0.456 | 45% | 0.45 | S | S | . | . | trans | -79 | 102.9 | 172.7 | -55.9 | 170.2 | 0 | 0 | 0 | 106.9 | L293 F297 F298 | L293-I295 PolarHBondContact O-N 3.01Å; I295-F297 HydrophobicContact CG2-CB 4.24Å; I295-F297 PolarHBondContact O-N 3.49Å; I295-F298 HydrophobicContact CB-CD2 4Å; I295-F298 HydrophobicContact CD1-CD2 4.29Å; I295-F298 HydrophobicContact CD1-CE2 4.37Å; I295-F298 HydrophobicContact CG2-CD2 3.86Å; I295-F298 HydrophobicContact CG2-CE2 4.33Å; I295-F298 PolarHBondContact O-N 3.26Å | ||
| 296 | A | 65.8 | Low | 69.8 | Low | 52 Ų | 52 | 90.7 Ų | 90.7 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -45.3 | -35.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D294 F298 R299 D300 | D294-A296 PolarHBondContact O-N 2.89Å; A296-F298 PolarHBondContact O-N 3.09Å; A296-R299 PolarHBondContact O-N 3.22Å; A296-D300 PolarHBondContact O-N 2.82Å; A296-D300 VanDerWaalsContact O-N 3.16Å |
| 297 | F | 71.5 | Confident | 69.7 | Low | 135 Ų | 135 | 92.1 Ų | 92.1 | 59% | 0.592 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 177.9 | -178.1 | -106.3 | 0 | 0 | 0 | 114.4 | I295 R299 D300 I301 | I295-F297 HydrophobicContact CG2-CB 4.24Å; I295-F297 PolarHBondContact O-N 3.49Å; F297-R299 VanDerWaalsContact C-N 3.35Å; F297-D300 PolarHBondContact O-N 3.09Å; F297-I301 HydrophobicContact CD1-CD1 3.71Å; F297-I301 HydrophobicContact CD2-CD1 4.4Å; F297-I301 HydrophobicContact CE1-CD1 3.28Å; F297-I301 HydrophobicContact CE2-CD1 4.04Å; F297-I301 HydrophobicContact CG-CD1 4.26Å; F297-I301 HydrophobicContact CZ-CD1 3.48Å; F297-I301 VanDerWaalsContact CZ-CD1 3.48Å; F297-I301 WeakPolarHBondContact O-CG1 3.48Å; F297-I301 PolarHBondContact O-N 2.77Å |
| 298 | F | 69.1 | Low | 69.4 | Low | 83 Ų | 83 | 92.5 Ų | 92.5 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -76.4 | -26.7 | -178.8 | -73.6 | -72.5 | 0 | 0 | 0 | 112.3 | I295 A296 R302 | I295-F298 HydrophobicContact CB-CD2 4Å; I295-F298 HydrophobicContact CD1-CD2 4.29Å; I295-F298 HydrophobicContact CD1-CE2 4.37Å; I295-F298 HydrophobicContact CG2-CD2 3.86Å; I295-F298 HydrophobicContact CG2-CE2 4.33Å; I295-F298 PolarHBondContact O-N 3.26Å; A296-F298 PolarHBondContact O-N 3.09Å; F298-R302 WeakPolarHBondContact O-CB 3.19Å; F298-R302 VanDerWaalsContact O-CG 3.29Å; F298-R302 WeakPolarHBondContact O-CG 3.36Å; F298-R302 PolarHBondContact O-N 3.46Å; F298-R302 PolarHBondContact O-NE 3.39Å |
| 299 | R | 65.3 | Low | 69.6 | Low | 122 Ų | 122 | 95.9 Ų | 95.9 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 172.7 | -173.8 | 177.1 | 64.1 | -155.6 | -0.5 | 111 | A296 F297 I301 R302 Q303 | A296-R299 PolarHBondContact O-N 3.22Å; F297-R299 VanDerWaalsContact C-N 3.35Å; R299-I301 VanDerWaalsContact C-N 3.34Å; R299-I301 PolarHBondContact O-N 3.27Å; R299-R302 PolarHBondContact O-N 3.3Å; R299-Q303 WeakPolarHBondContact O-CG 3.24Å; R299-Q303 PolarHBondContact O-N 3.47Å; R299-Q303 VanDerWaalsContact O-N 3.14Å |
| 300 | D | 71.3 | Confident | 70.1 | Confident | 94 Ų | 94 | 99.7 Ų | 99.7 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 179.7 | -67.7 | -4.8 | 0 | 0 | 0 | 111.5 | A296 F297 Q303 | A296-D300 PolarHBondContact O-N 2.82Å; A296-D300 VanDerWaalsContact O-N 3.16Å; F297-D300 PolarHBondContact O-N 3.09Å; D300-Q303 PolarHBondContact O-N 3.41Å |
| 301 | I | 73.7 | Confident | 70.3 | Confident | 61 Ų | 61 | 95.2 Ų | 95.2 | 31% | 0.313 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.7 | -67.8 | 167.8 | 0 | 0 | 0 | 111.4 | F297 R299 Q303 T304 F307 | F297-I301 HydrophobicContact CD1-CD1 3.71Å; F297-I301 HydrophobicContact CD2-CD1 4.4Å; F297-I301 HydrophobicContact CE1-CD1 3.28Å; F297-I301 HydrophobicContact CE2-CD1 4.04Å; F297-I301 HydrophobicContact CG-CD1 4.26Å; F297-I301 HydrophobicContact CZ-CD1 3.48Å; F297-I301 VanDerWaalsContact CZ-CD1 3.48Å; F297-I301 WeakPolarHBondContact O-CG1 3.48Å; F297-I301 PolarHBondContact O-N 2.77Å; R299-I301 VanDerWaalsContact C-N 3.34Å; R299-I301 PolarHBondContact O-N 3.27Å; I301-Q303 VanDerWaalsContact C-N 3.26Å; I301-Q303 PolarHBondContact O-N 2.93Å; I301-T304 PolarHBondContact O-N 2.86Å; I301-T304 PolarHBondContact O-OG1 3.29Å; I301-F307 HydrophobicContact CG2-CD2 4.18Å; I301-F307 WeakPolarHBondContact O-CB 3.31Å |
| 302 | R | 68.4 | Low | 70.8 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 20% | 0.204 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.9 | -28.1 | 177.8 | -79.4 | -172.7 | -75.5 | -157.9 | 1.4 | 113.6 | T289 S291 D292 F298 R299 T304 F307 | T289-R302 PolarHBondContact O-NH1 2.96Å; T289-R302 VanDerWaalsContact O-NH1 3.07Å; S291-R302 PolarHBondContact O-NH1 2.91Å; S291-R302 PolarHBondContact O-NH2 3.41Å; D292-R302 IonicContact OD1-NH2 2.79Å; F298-R302 WeakPolarHBondContact O-CB 3.19Å; F298-R302 VanDerWaalsContact O-CG 3.29Å; F298-R302 WeakPolarHBondContact O-CG 3.36Å; F298-R302 PolarHBondContact O-N 3.46Å; F298-R302 PolarHBondContact O-NE 3.39Å; R299-R302 PolarHBondContact O-N 3.3Å; R302-T304 VanDerWaalsContact C-N 3.31Å; R302-F307 HydrophobicContact CB-CD1 4.4Å; R302-F307 HydrophobicContact CB-CE1 4.41Å; R302-F307 HydrophobicContact CG-CD1 4.2Å; R302-F307 HydrophobicContact CG-CE1 3.75Å; R302-F307 HydrophobicContact CG-CZ 4.38Å |
| 303 | Q | 71.3 | Confident | 72.1 | Confident | 141 Ų | 141 | 98.8 Ų | 98.8 | 66% | 0.659 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4.4 | 179.3 | -72 | -179.9 | 4.2 | 0 | 0 | 113.7 | R299 D300 I301 | R299-Q303 WeakPolarHBondContact O-CG 3.24Å; R299-Q303 PolarHBondContact O-N 3.47Å; R299-Q303 VanDerWaalsContact O-N 3.14Å; D300-Q303 PolarHBondContact O-N 3.41Å; I301-Q303 VanDerWaalsContact C-N 3.26Å; I301-Q303 PolarHBondContact O-N 2.93Å |
| 304 | T | 78.9 | Confident | 73.1 | Confident | 56 Ų | 56 | 101.7 Ų | 101.7 | 34% | 0.344 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -70.8 | 133.6 | 174.5 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | I301 R302 E306 F307 E308 | I301-T304 PolarHBondContact O-N 2.86Å; I301-T304 PolarHBondContact O-OG1 3.29Å; R302-T304 VanDerWaalsContact C-N 3.31Å; T304-E306 PolarHBondContact O-N 2.9Å; T304-E306 VanDerWaalsContact O-N 3.14Å; T304-F307 PolarHBondContact O-N 3.29Å; T304-F307 WeakPolarHBondContact OG1-CB 3.5Å; T304-F307 PolarHBondContact OG1-N 2.87Å; T304-E308 PolarHBondContact O-N 3.5Å; T304-E308 VanDerWaalsContact O-N 3.13Å |
| 305 | P | 72.7 | Confident | 74.1 | Confident | 100 Ų | 100 | 95.5 Ų | 95.5 | 65% | 0.649 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.1 | -25.3 | -179.1 | 24.7 | -34 | 0 | 0 | 0 | 112.4 | Q309 | P305-Q309 WeakPolarHBondContact O-CB 3.42Å; P305-Q309 PolarHBondContact O-N 2.87Å; P305-Q309 VanDerWaalsContact O-N 3.09Å |
| 306 | E | 79.5 | Confident | 74.6 | Confident | 157 Ų | 157 | 92 Ų | 92 | 73% | 0.734 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.1 | -40.5 | 175.4 | -59.9 | 178.6 | -178.8 | 0 | 0 | 112.2 | T304 F310 | T304-E306 PolarHBondContact O-N 2.9Å; T304-E306 VanDerWaalsContact O-N 3.14Å; E306-F310 WeakPolarHBondContact O-CB 3.37Å; E306-F310 PolarHBondContact O-N 2.86Å |
| 307 | F | 76.4 | Confident | 75.4 | Confident | 53 Ų | 53 | 92.7 Ų | 92.7 | 23% | 0.232 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.3 | -38.9 | 177.5 | -174.4 | -91.4 | 0 | 0 | 0 | 111.4 | T289 I301 R302 T304 F310 H311 | T289-F307 HydrophobicContact CG2-CZ 4.04Å; I301-F307 HydrophobicContact CG2-CD2 4.18Å; I301-F307 WeakPolarHBondContact O-CB 3.31Å; R302-F307 HydrophobicContact CB-CD1 4.4Å; R302-F307 HydrophobicContact CB-CE1 4.41Å; R302-F307 HydrophobicContact CG-CD1 4.2Å; R302-F307 HydrophobicContact CG-CE1 3.75Å; R302-F307 HydrophobicContact CG-CZ 4.38Å; T304-F307 PolarHBondContact O-N 3.29Å; T304-F307 WeakPolarHBondContact OG1-CB 3.5Å; T304-F307 PolarHBondContact OG1-N 2.87Å; F307-F310 PolarHBondContact O-N 3.47Å; F307-H311 VanDerWaalsContact O-CB 3.3Å; F307-H311 WeakPolarHBondContact O-CB 3.49Å; F307-H311 PolarHBondContact O-N 3.25Å |
| 308 | E | 73.3 | Confident | 75.7 | Confident | 106 Ų | 106 | 89.5 Ų | 89.5 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.9 | -172.4 | 174.5 | -166 | 0 | 0 | 111.2 | T304 F310 H311 Y312 | T304-E308 PolarHBondContact O-N 3.5Å; T304-E308 VanDerWaalsContact O-N 3.13Å; E308-F310 PolarHBondContact O-N 2.79Å; E308-H311 WeakPolarHBondContact O-CB 3.26Å; E308-H311 PolarHBondContact O-N 3.49Å; E308-Y312 HydrophobicContact CG-CD2 3.81Å; E308-Y312 HydrophobicContact CG-CE2 3.64Å; E308-Y312 VanDerWaalsContact O-CD2 3.25Å; E308-Y312 WeakPolarHBondContact O-CD2 3.43Å; E308-Y312 PolarHBondContact O-N 3.14Å |
| 309 | Q | 79.8 | Confident | 76.2 | Confident | 131 Ų | 131 | 91.1 Ų | 91.1 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 175.8 | -173 | 175.2 | 0.1 | 0 | 0 | 111.9 | P305 H311 Y312 Q313 | P305-Q309 WeakPolarHBondContact O-CB 3.42Å; P305-Q309 PolarHBondContact O-N 2.87Å; P305-Q309 VanDerWaalsContact O-N 3.09Å; Q309-H311 VanDerWaalsContact C-N 3.32Å; Q309-H311 PolarHBondContact O-N 3.15Å; Q309-Y312 PolarHBondContact O-N 3.42Å; Q309-Q313 VanDerWaalsContact O-CB 3.23Å; Q309-Q313 WeakPolarHBondContact O-CB 3.47Å; Q309-Q313 PolarHBondContact O-N 3Å |
| 310 | F | 79.6 | Confident | 77 | Confident | 112 Ų | 112 | 93.4 Ų | 93.4 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.2 | 176.6 | -99.4 | 0 | 0 | 0 | 112.1 | E306 F307 E308 Q313 Y314 | E306-F310 WeakPolarHBondContact O-CB 3.37Å; E306-F310 PolarHBondContact O-N 2.86Å; F307-F310 PolarHBondContact O-N 3.47Å; E308-F310 PolarHBondContact O-N 2.79Å; F310-Q313 PolarHBondContact O-N 3.42Å; F310-Y314 AromaticContact CD2-CD2 3.6Å; F310-Y314 HydrophobicContact CD2-CD2 3.6Å; F310-Y314 HydrophobicContact CD2-CE2 4.26Å; F310-Y314 HydrophobicContact CD2-CG 4.35Å; F310-Y314 AromaticContact CE2-CD2 3.82Å; F310-Y314 HydrophobicContact CE2-CD2 3.82Å; F310-Y314 HydrophobicContact CE2-CG 4.15Å; F310-Y314 HydrophobicContact CG-CD2 4.45Å; F310-Y314 PolarHBondContact O-N 2.88Å |
| 311 | H | 75.8 | Confident | 77.5 | Confident | 43 Ų | 43 | 96 Ų | 96 | 20% | 0.199 | 44% | 0.438 | C | S | . | . | I | π-helix | trans | -64.3 | -44.1 | -179.5 | -166.2 | 90.7 | 0 | 0 | 0 | 111.9 | F307 E308 Q309 F315 C316 | F307-H311 VanDerWaalsContact O-CB 3.3Å; F307-H311 WeakPolarHBondContact O-CB 3.49Å; F307-H311 PolarHBondContact O-N 3.25Å; E308-H311 WeakPolarHBondContact O-CB 3.26Å; E308-H311 PolarHBondContact O-N 3.49Å; Q309-H311 VanDerWaalsContact C-N 3.32Å; Q309-H311 PolarHBondContact O-N 3.15Å; H311-F315 AromaticContact CE1-CD1 3.06Å; H311-F315 WeakPolarHBondContact CE1-CD1 3.25Å; H311-F315 AromaticContact CE1-CE1 3.39Å; H311-F315 WeakPolarHBondContact CE1-CE1 3.31Å; H311-F315 AromaticContact CE1-CG 3.73Å; H311-F315 AromaticContact ND1-CD1 3.55Å; H311-F315 AromaticContact ND1-CG 3.73Å; H311-F315 AromaticContact NE2-CD1 3.44Å; H311-F315 WeakPolarHBondContact NE2-CD1 3.29Å; H311-F315 AromaticContact NE2-CE1 3.93Å; H311-F315 CarbonylContact O-C 3.56Å; H311-F315 WeakPolarHBondContact O-CA 3.47Å; H311-F315 VanDerWaalsContact O-CB 3.24Å; H311-F315 WeakPolarHBondContact O-CB 3.3Å; H311-F315 PolarHBondContact O-N 3.34Å; H311-F315 VanDerWaalsContact O-N 3.13Å; H311-C316 PolarHBondContact O-N 3.45Å |
| 312 | Y | 78.6 | Confident | 77.8 | Confident | 153 Ų | 153 | 94.3 Ų | 94.3 | 60% | 0.6 | 43% | 0.428 | S | S | * | . | I | π-helix | trans | -71.7 | -37.9 | 176.7 | -78.5 | -70 | 0 | 0 | 0 | 113 | E308 Q309 P317 | E308-Y312 HydrophobicContact CG-CD2 3.81Å; E308-Y312 HydrophobicContact CG-CE2 3.64Å; E308-Y312 VanDerWaalsContact O-CD2 3.25Å; E308-Y312 WeakPolarHBondContact O-CD2 3.43Å; E308-Y312 PolarHBondContact O-N 3.14Å; Q309-Y312 PolarHBondContact O-N 3.42Å; Y312-P317 WeakPolarHBondContact O-CD 3.35Å |
| 313 | Q | 83.4 | Confident | 78.4 | Confident | 107 Ų | 107 | 94.6 Ų | 94.6 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | I | π-helix | trans | -76.6 | -37.5 | -174.5 | -171 | 173.8 | 3.5 | 0 | 0 | 113.3 | Q309 F310 | Q309-Q313 VanDerWaalsContact O-CB 3.23Å; Q309-Q313 WeakPolarHBondContact O-CB 3.47Å; Q309-Q313 PolarHBondContact O-N 3Å; F310-Q313 PolarHBondContact O-N 3.42Å |
| 314 | Y | 78.2 | Confident | 78.8 | Confident | 129 Ų | 129 | 92.1 Ų | 92.1 | 51% | 0.506 | 44% | 0.44 | S | S | . | . | I | π-helix | trans | -117.8 | -43.7 | -173.3 | -64.1 | -80 | 0 | 0 | 0 | 112.7 | F310 L318 | F310-Y314 AromaticContact CD2-CD2 3.6Å; F310-Y314 HydrophobicContact CD2-CD2 3.6Å; F310-Y314 HydrophobicContact CD2-CE2 4.26Å; F310-Y314 HydrophobicContact CD2-CG 4.35Å; F310-Y314 AromaticContact CE2-CD2 3.82Å; F310-Y314 HydrophobicContact CE2-CD2 3.82Å; F310-Y314 HydrophobicContact CE2-CG 4.15Å; F310-Y314 HydrophobicContact CG-CD2 4.45Å; F310-Y314 PolarHBondContact O-N 2.88Å; Y314-L318 WeakPolarHBondContact O-CB 3.43Å; Y314-L318 PolarHBondContact O-N 3.42Å |
| 315 | F | 77.6 | Confident | 78.9 | Confident | 27 Ų | 27 | 94.6 Ų | 94.6 | 12% | 0.118 | 45% | 0.446 | C | S | . | . | I | π-helix | trans | -75.1 | -41.6 | -172.5 | -169.6 | -89.4 | 0 | 0 | 0 | 112.7 | I286 T289 H311 L318 R319 | I286-F315 HydrophobicContact CB-CE2 4.46Å; I286-F315 HydrophobicContact CB-CZ 4.13Å; I286-F315 HydrophobicContact CG1-CE2 3.8Å; I286-F315 HydrophobicContact CG1-CZ 3.82Å; I286-F315 HydrophobicContact CG2-CZ 4.09Å; T289-F315 HydrophobicContact CG2-CE2 4.34Å; T289-F315 WeakPolarHBondContact OG1-CE2 3.45Å; T289-F315 WeakPolarHBondContact OG1-CZ 3.39Å; H311-F315 AromaticContact CE1-CD1 3.06Å; H311-F315 WeakPolarHBondContact CE1-CD1 3.25Å; H311-F315 AromaticContact CE1-CE1 3.39Å; H311-F315 WeakPolarHBondContact CE1-CE1 3.31Å; H311-F315 AromaticContact CE1-CG 3.73Å; H311-F315 AromaticContact ND1-CD1 3.55Å; H311-F315 AromaticContact ND1-CG 3.73Å; H311-F315 AromaticContact NE2-CD1 3.44Å; H311-F315 WeakPolarHBondContact NE2-CD1 3.29Å; H311-F315 AromaticContact NE2-CE1 3.93Å; H311-F315 CarbonylContact O-C 3.56Å; H311-F315 WeakPolarHBondContact O-CA 3.47Å; H311-F315 VanDerWaalsContact O-CB 3.24Å; H311-F315 WeakPolarHBondContact O-CB 3.3Å; H311-F315 PolarHBondContact O-N 3.34Å; H311-F315 VanDerWaalsContact O-N 3.13Å; F315-L318 PolarHBondContact O-N 2.96Å; F315-R319 WeakPolarHBondContact O-CB 3.35Å; F315-R319 PolarHBondContact O-N 2.8Å |
| 316 | C | 76.4 | Confident | 79.2 | Confident | 15 Ų | 15 | 93.5 Ų | 93.5 | 10% | 0.101 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 178.1 | -76.2 | 0 | 0 | 0 | 0 | 113.8 | H311 L318 R319 R320 | H311-C316 PolarHBondContact O-N 3.45Å; C316-L318 VanDerWaalsContact C-N 3.35Å; C316-R319 PolarHBondContact O-N 3.36Å; C316-R320 WeakPolarHBondContact O-CG 3.42Å; C316-R320 PolarHBondContact O-N 2.89Å; C316-R320 VanDerWaalsContact O-N 3.14Å |
| 317 | P | 82.8 | Confident | 79.3 | Confident | 68 Ų | 68 | 95.6 Ų | 95.6 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 172.9 | -24.4 | 34.8 | 0 | 0 | 0 | 112.5 | Y312 R319 R320 W321 | Y312-P317 WeakPolarHBondContact O-CD 3.35Å; P317-R319 PolarHBondContact O-N 2.88Å; P317-R320 PolarHBondContact O-N 3.4Å; P317-W321 WeakPolarHBondContact O-CB 3.36Å; P317-W321 PolarHBondContact O-N 3.12Å |
| 318 | L | 78.3 | Confident | 79.4 | Confident | 67 Ų | 67 | 96.2 Ų | 96.2 | 35% | 0.351 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.9 | -173 | 64.1 | 0 | 0 | 0 | 111.4 | Y314 F315 C316 W321 F322 | Y314-L318 WeakPolarHBondContact O-CB 3.43Å; Y314-L318 PolarHBondContact O-N 3.42Å; F315-L318 PolarHBondContact O-N 2.96Å; C316-L318 VanDerWaalsContact C-N 3.35Å; L318-W321 PolarHBondContact O-N 3.48Å; L318-F322 HydrophobicContact CD1-CD2 3.98Å; L318-F322 HydrophobicContact CD1-CE2 3.47Å; L318-F322 VanDerWaalsContact CD1-CE2 3.47Å; L318-F322 HydrophobicContact CD1-CZ 4.36Å; L318-F322 HydrophobicContact CD2-CE2 4.12Å; L318-F322 HydrophobicContact CG-CD2 3.78Å; L318-F322 HydrophobicContact CG-CE2 3.54Å; L318-F322 WeakPolarHBondContact O-CD2 3.4Å; L318-F322 PolarHBondContact O-N 3.31Å |
| 319 | R | 79.3 | Confident | 79.6 | Confident | 118 Ų | 118 | 94.6 Ų | 94.6 | 45% | 0.445 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.8 | -173.6 | -175.2 | 74.6 | -171.8 | 2.3 | 112.1 | F315 C316 P317 W321 F322 A323 | F315-R319 WeakPolarHBondContact O-CB 3.35Å; F315-R319 PolarHBondContact O-N 2.8Å; C316-R319 PolarHBondContact O-N 3.36Å; P317-R319 PolarHBondContact O-N 2.88Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.35Å; R319-F322 PolarHBondContact O-N 3.29Å; R319-A323 WeakPolarHBondContact O-CB 3.1Å; R319-A323 PolarHBondContact O-N 3.47Å |
| 320 | R | 82.3 | Confident | 79.7 | Confident | 170 Ų | 170 | 91.8 Ų | 91.8 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 177.3 | -72 | 177.9 | -176.3 | 160.5 | 2.9 | 110.9 | C316 P317 A323 C324 | C316-R320 WeakPolarHBondContact O-CG 3.42Å; C316-R320 PolarHBondContact O-N 2.89Å; C316-R320 VanDerWaalsContact O-N 3.14Å; P317-R320 PolarHBondContact O-N 3.4Å; R320-A323 PolarHBondContact O-N 3.29Å; R320-C324 WeakPolarHBondContact O-CB 3.16Å; R320-C324 PolarHBondContact O-N 3.26Å; R320-C324 PolarHBondContact O-SG 3.13Å |
| 321 | W | 82.2 | Confident | 79.7 | Confident | 147 Ų | 147 | 89.3 Ų | 89.3 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 175.9 | -176.5 | 89.3 | 0 | 0 | 0 | 111.9 | P317 L318 R319 C324 K325 | P317-W321 WeakPolarHBondContact O-CB 3.36Å; P317-W321 PolarHBondContact O-N 3.12Å; L318-W321 PolarHBondContact O-N 3.48Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.35Å; W321-C324 PolarHBondContact O-N 3.29Å; W321-K325 HydrophobicContact CH2-CG 4.31Å; W321-K325 HydrophobicContact CZ2-CD 4.45Å; W321-K325 HydrophobicContact CZ2-CG 4.42Å; W321-K325 VanDerWaalsContact O-CB 3.26Å; W321-K325 WeakPolarHBondContact O-CB 3.47Å; W321-K325 PolarHBondContact O-N 3.5Å |
| 322 | F | 79.1 | Confident | 79.8 | Confident | 26 Ų | 26 | 93.1 Ų | 93.1 | 11% | 0.114 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.5 | -87.3 | -64.3 | 0 | 0 | 0 | 112.5 | F279 L282 I286 L318 R319 C324 K325 I326 | F279-F322 HydrophobicContact CD2-CE1 4.38Å; F279-F322 HydrophobicContact CE2-CD1 4.28Å; F279-F322 AromaticContact CE2-CE1 3.86Å; F279-F322 HydrophobicContact CE2-CE1 3.86Å; L282-F322 HydrophobicContact CD2-CE1 4.12Å; L282-F322 HydrophobicContact CD2-CE2 3.49Å; L282-F322 VanDerWaalsContact CD2-CE2 3.49Å; L282-F322 HydrophobicContact CD2-CZ 3.17Å; L282-F322 HydrophobicContact CG-CE2 4.29Å; L282-F322 HydrophobicContact CG-CZ 4.31Å; I286-F322 HydrophobicContact CD1-CD2 4.4Å; L318-F322 HydrophobicContact CD1-CD2 3.98Å; L318-F322 HydrophobicContact CD1-CE2 3.47Å; L318-F322 VanDerWaalsContact CD1-CE2 3.47Å; L318-F322 HydrophobicContact CD1-CZ 4.36Å; L318-F322 HydrophobicContact CD2-CE2 4.12Å; L318-F322 HydrophobicContact CG-CD2 3.78Å; L318-F322 HydrophobicContact CG-CE2 3.54Å; L318-F322 WeakPolarHBondContact O-CD2 3.4Å; L318-F322 PolarHBondContact O-N 3.31Å; R319-F322 PolarHBondContact O-N 3.29Å; F322-C324 VanDerWaalsContact C-N 3.34Å; F322-C324 PolarHBondContact O-N 3.36Å; F322-K325 PolarHBondContact O-N 2.72Å; F322-I326 WeakPolarHBondContact O-CB 3.29Å; F322-I326 VanDerWaalsContact O-CG1 3.25Å; F322-I326 WeakPolarHBondContact O-CG1 3.4Å; F322-I326 PolarHBondContact O-N 3Å |
| 323 | A | 80.3 | Confident | 79.7 | Confident | 61 Ų | 61 | 91.7 Ų | 91.7 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R319 R320 R327 | R319-A323 WeakPolarHBondContact O-CB 3.1Å; R319-A323 PolarHBondContact O-N 3.47Å; R320-A323 PolarHBondContact O-N 3.29Å; A323-R327 WeakPolarHBondContact O-CB 3.25Å; A323-R327 PolarHBondContact O-N 3.18Å |
| 324 | C | 80.6 | Confident | 79.4 | Confident | 89 Ų | 89 | 92.7 Ų | 92.7 | 60% | 0.601 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 174.8 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | R320 W321 F322 S328 | R320-C324 WeakPolarHBondContact O-CB 3.16Å; R320-C324 PolarHBondContact O-N 3.26Å; R320-C324 PolarHBondContact O-SG 3.13Å; W321-C324 PolarHBondContact O-N 3.29Å; F322-C324 VanDerWaalsContact C-N 3.34Å; F322-C324 PolarHBondContact O-N 3.36Å; C324-S328 WeakPolarHBondContact O-CB 3.47Å; C324-S328 PolarHBondContact O-N 2.97Å |
| 325 | K | 81 | Confident | 78.8 | Confident | 107 Ų | 107 | 93 Ų | 93 | 47% | 0.465 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.9 | -43.9 | -177.2 | -165.6 | 68.4 | -178.5 | 176 | 0 | 112 | W321 F322 S328 V329 | W321-K325 HydrophobicContact CH2-CG 4.31Å; W321-K325 HydrophobicContact CZ2-CD 4.45Å; W321-K325 HydrophobicContact CZ2-CG 4.42Å; W321-K325 VanDerWaalsContact O-CB 3.26Å; W321-K325 WeakPolarHBondContact O-CB 3.47Å; W321-K325 PolarHBondContact O-N 3.5Å; F322-K325 PolarHBondContact O-N 2.72Å; K325-S328 PolarHBondContact O-N 2.98Å; K325-V329 WeakPolarHBondContact O-CB 3.25Å; K325-V329 VanDerWaalsContact O-CG2 3.28Å; K325-V329 WeakPolarHBondContact O-CG2 3.43Å; K325-V329 PolarHBondContact O-N 3.17Å |
| 326 | I | 78.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 99.7 Ų | 99.7 | 40% | 0.395 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 174.4 | -67.9 | 169.6 | 0 | 0 | 0 | 109.5 | F322 S328 V329 V330 | F322-I326 WeakPolarHBondContact O-CB 3.29Å; F322-I326 VanDerWaalsContact O-CG1 3.25Å; F322-I326 WeakPolarHBondContact O-CG1 3.4Å; F322-I326 PolarHBondContact O-N 3Å; I326-S328 VanDerWaalsContact C-N 3.31Å; I326-S328 PolarHBondContact O-N 3.11Å; I326-V329 PolarHBondContact O-N 3.06Å; I326-V330 HydrophobicContact CG2-CG2 4.04Å; I326-V330 WeakPolarHBondContact O-CB 3.42Å; I326-V330 WeakPolarHBondContact O-CG2 3.47Å; I326-V330 PolarHBondContact O-N 3.39Å |
| 327 | R | 81.8 | Confident | 77.8 | Confident | 201 Ų | 201 | 104 Ų | 104 | 76% | 0.758 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 176.2 | -175.8 | 175.4 | 178.2 | 166.4 | 0.3 | 112.5 | A323 S331 | A323-R327 WeakPolarHBondContact O-CB 3.25Å; A323-R327 PolarHBondContact O-N 3.18Å; R327-S331 VanDerWaalsContact O-CB 3.31Å; R327-S331 WeakPolarHBondContact O-CB 3.3Å; R327-S331 PolarHBondContact O-N 3.48Å |
| 328 | S | 77.9 | Confident | 77.5 | Confident | 66 Ų | 66 | 105.8 Ų | 105.8 | 46% | 0.462 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | C324 K325 I326 L332 | C324-S328 WeakPolarHBondContact O-CB 3.47Å; C324-S328 PolarHBondContact O-N 2.97Å; K325-S328 PolarHBondContact O-N 2.98Å; I326-S328 VanDerWaalsContact C-N 3.31Å; I326-S328 PolarHBondContact O-N 3.11Å; S328-L332 WeakPolarHBondContact O-CB 3.31Å; S328-L332 PolarHBondContact O-N 3Å |
| 329 | V | 78.8 | Confident | 77.5 | Confident | 72 Ų | 72 | 108 Ų | 108 | 44% | 0.436 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -42.1 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | K325 I326 L332 L333 | K325-V329 WeakPolarHBondContact O-CB 3.25Å; K325-V329 VanDerWaalsContact O-CG2 3.28Å; K325-V329 WeakPolarHBondContact O-CG2 3.43Å; K325-V329 PolarHBondContact O-N 3.17Å; I326-V329 PolarHBondContact O-N 3.06Å; V329-L332 PolarHBondContact O-N 3.41Å; V329-L333 HydrophobicContact CG1-CD1 4.1Å; V329-L333 WeakPolarHBondContact O-CB 3.41Å; V329-L333 PolarHBondContact O-N 3.47Å |
| 330 | V | 81.6 | Confident | 77.3 | Confident | 72 Ų | 72 | 107.4 Ų | 107.4 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | I326 L332 L333 I334 | I326-V330 HydrophobicContact CG2-CG2 4.04Å; I326-V330 WeakPolarHBondContact O-CB 3.42Å; I326-V330 WeakPolarHBondContact O-CG2 3.47Å; I326-V330 PolarHBondContact O-N 3.39Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.48Å; V330-L333 PolarHBondContact O-N 3.33Å; V330-I334 HydrophobicContact CG1-CD1 3.67Å; V330-I334 HydrophobicContact CG1-CG1 4.46Å; V330-I334 WeakPolarHBondContact O-CD1 3.33Å; V330-I334 VanDerWaalsContact O-CG1 3.24Å; V330-I334 WeakPolarHBondContact O-CG1 3.4Å; V330-I334 PolarHBondContact O-N 2.72Å |
| 331 | S | 79.1 | Confident | 77 | Confident | 61 Ų | 61 | 103.5 Ų | 103.5 | 43% | 0.427 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.3 | -43.7 | 173.7 | -168.3 | 0 | 0 | 0 | 0 | 111.5 | R327 L333 I334 D335 | R327-S331 VanDerWaalsContact O-CB 3.31Å; R327-S331 WeakPolarHBondContact O-CB 3.3Å; R327-S331 PolarHBondContact O-N 3.48Å; S331-L333 VanDerWaalsContact C-N 3.32Å; S331-L333 PolarHBondContact O-N 3.11Å; S331-I334 PolarHBondContact O-N 3.44Å; S331-D335 PolarHBondContact O-N 3.49Å; S331-D335 VanDerWaalsContact O-N 3.09Å |
| 332 | L | 78.9 | Confident | 76.7 | Confident | 123 Ų | 123 | 100.6 Ų | 100.6 | 64% | 0.644 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.5 | -29.6 | -179.4 | -162.8 | 133.6 | 0 | 0 | 0 | 112.8 | S328 V329 V330 T336 | S328-L332 WeakPolarHBondContact O-CB 3.31Å; S328-L332 PolarHBondContact O-N 3Å; V329-L332 PolarHBondContact O-N 3.41Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.48Å; L332-T336 PolarHBondContact O-OG1 3.5Å |
| 333 | L | 76.1 | Confident | 76.5 | Confident | 123 Ų | 123 | 105.9 Ų | 105.9 | 64% | 0.644 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.1 | -25.2 | 173.1 | -106.1 | 149.2 | 0 | 0 | 0 | 113.6 | V329 V330 S331 | V329-L333 HydrophobicContact CG1-CD1 4.1Å; V329-L333 WeakPolarHBondContact O-CB 3.41Å; V329-L333 PolarHBondContact O-N 3.47Å; V330-L333 PolarHBondContact O-N 3.33Å; S331-L333 VanDerWaalsContact C-N 3.32Å; S331-L333 PolarHBondContact O-N 3.11Å |
| 334 | I | 76.8 | Confident | 76.2 | Confident | 127 Ų | 127 | 109.4 Ų | 109.4 | 65% | 0.651 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.1 | -27.1 | 176.3 | -68.6 | 164.7 | 0 | 0 | 0 | 110.9 | V330 S331 | V330-I334 HydrophobicContact CG1-CD1 3.67Å; V330-I334 HydrophobicContact CG1-CG1 4.46Å; V330-I334 WeakPolarHBondContact O-CD1 3.33Å; V330-I334 VanDerWaalsContact O-CG1 3.24Å; V330-I334 WeakPolarHBondContact O-CG1 3.4Å; V330-I334 PolarHBondContact O-N 2.72Å; S331-I334 PolarHBondContact O-N 3.44Å |
| 335 | D | 65.9 | Low | 75.9 | Confident | 136 Ų | 136 | 111.1 Ų | 111.1 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | trans | -86.5 | 4 | 178.1 | -74.9 | -32.8 | 0 | 0 | 0 | 114.3 | S331 | S331-D335 PolarHBondContact O-N 3.49Å; S331-D335 VanDerWaalsContact O-N 3.09Å | ||
| 336 | T | 53.9 | Low | 75.4 | Confident | 168 Ų | 168 | 111.5 Ų | 111.5 | 100% | 1.031 | 60% | 0.601 | S | S | * | * | trans | -108.6 | 0 | 175.8 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | L332 | L332-T336 PolarHBondContact O-OG1 3.5Š|
Retrieved 336 of 336 residues in 270 ms
(Link to these results)